FULL DB

Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )

STK943130
Synonyms: 8-hydroxy-9-(pyridin-3-yl)-5,6,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile
Smiles: N#Cc1cnn2c1N=C1CCCC(=C1C2c1cccnc1)O

STK943136
Synonyms: 2-(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)-6-(thiophen-2-yl)pyridazin-3(2H)-one
Smiles: OC1=Nc2ccccc2CCC1n1nc(ccc1=O)c1cccs1

STK943137
Synonyms: (6-chloro-4-oxoquinolin-1(4H)-yl)acetonitrile
Smiles: N#CCn1ccc(=O)c2c1ccc(c2)Cl

STK943143
Synonyms: 2-[acetyl(2-methoxyethyl)amino]-N-(2-chlorobenzyl)-4-methyl-1,3-thiazole-5-carboxamide
Smiles: COCCN(c1nc(c(s1)C(=O)NCc1ccccc1Cl)C)C(=O)C

STK943144
Synonyms: N-[(2E)-5-tert-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-(cyclopropylamino)-1,3-thiazole-4-carboxamide
Smiles: O=C(c1csc(n1)NC1CC1)/N=c/1\[nH]nc(s1)C(C)(C)C

STK943148
Synonyms: 6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-(2-oxo-2H-chromen-6-yl)hexanamide
Smiles: O=C(Nc1ccc2c(c1)ccc(=O)o2)CCCCCn1nnc2c(c1=O)cccc2

STK943149
Synonyms: [5-(cyanomethoxy)-1H-indol-3-yl][4-(pyridin-3-ylmethyl)piperazin-1-yl]aceticacid
Smiles: N#CCOc1ccc2c(c1)c(c[nH]2)C(N1CCN(CC1)Cc1cccnc1)C(=O)O

STK943151
Synonyms: 5-[(2-fluorobenzyl)oxy]-4-oxo-N-(pyridin-2-yl)-4H-pyran-2-carboxamide
Smiles: O=C(c1occ(c(=O)c1)OCc1ccccc1F)Nc1ccccn1

STK943154
Synonyms: N-(2-hydroxyphenyl)-N'-[2-(piperazin-1-yl)ethyl]ethanediamide
Smiles: O=C(C(=O)NCCN1CCNCC1)Nc1ccccc1O

STK943157
Synonyms: ethyl3-{2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}-1,2,4-oxadiazole-5-carboxylate
Smiles: CCOC(=O)c1onc(n1)CC(=O)Nc1noc(c1)C

STK943158
Synonyms: ethyl[(2Z)-2-({[2-(1H-tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]carbonyl}imino)-2,3-dihydro-1,3-thiazol-4-yl]acetate
Smiles: CCOC(=O)Cc1cs/c(=N\C(=O)c2c(sc3c2CCC3)n2cnnn2)/[nH]1

STK943159
Synonyms: N-(3,3-diphenylpropyl)-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanediamide
Smiles: Cc1nnc(o1)c1ccc(cc1)NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1

STK943161
Synonyms: 3-{2-[(2,4-difluorophenyl)amino]-2-oxoethyl}-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Smiles: CCn1nc(c(c1C)CNC(=O)c1onc(n1)CC(=O)Nc1ccc(cc1F)F)C

STK943163
Synonyms: 4-hydroxy-N-(2-{4-[(4-methoxyphenyl)carbonyl]piperazin-1-yl}ethyl)quinazoline-2-carboxamide
Smiles: COc1ccc(cc1)C(=O)N1CCN(CC1)CCNC(=O)c1nc(O)c2c(n1)cccc2

STK943172
Synonyms: 1-methyl-4-[4-(methylsulfanyl)phenyl]-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: CSc1ccc(cc1)C1SCC(=Nc2c1cnn2C)O

STK943173
Synonyms: 2-{[(4-hydroxy-6-methylthieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}-N-(3-methylbutyl)acetamide
Smiles: CC(CCNC(=O)CSCc1nc(O)c2c(n1)sc(c2)C)C

STK943180
Synonyms: N-[4-(1,1-dioxido-1,2-thiazinan-2-yl)-3-methoxyphenyl]-N'-(2-phenylethyl)ethanediamide
Smiles: COc1cc(ccc1N1CCCCS1(=O)=O)NC(=O)C(=O)NCCc1ccccc1

STK943181
Synonyms: 1-(4-fluorophenyl)-5-hydroxy-7-(4-hydroxyphenyl)-6,7-dihydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylicacid
Smiles: OC1=Nc2c(C(C1)c1ccc(cc1)O)n(cc2C(=O)O)c1ccc(cc1)F

STK943182
Synonyms: 5-hydroxy-1-oxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
Smiles: O=C1CCC2(N1c1ccccc1C(=N2)O)C(=O)Nc1cccc(c1)C(F)(F)F

STK943184
Synonyms: 4-bromo-5-methyl-1H-pyrazole-3-carboxylicacid
Smiles: OC(=O)c1n[nH]c(c1Br)C

STK943186
Synonyms: 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinazoline-7-carboxamide
Smiles: COc1ccc(cc1Cl)n1cnc2c(c1=O)ccc(c2)C(=O)NCc1cccnc1

STK943187
Synonyms: 3-{3-[carboxy(4-formylpiperazin-1-yl)methyl]-6-fluoro-1H-indol-1-yl}propanoicacid
Smiles: O=CN1CCN(CC1)C(c1cn(c2c1ccc(c2)F)CCC(=O)O)C(=O)O

STK943188
Synonyms: 7-(2,3-dimethoxyphenyl)-1-(4-fluorophenyl)-5-hydroxy-6,7-dihydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylicacid
Smiles: COc1cccc(c1OC)C1CC(=Nc2c1n(cc2C(=O)O)c1ccc(cc1)F)O

STK943189
Synonyms: propyl4-(2-oxo-4-{[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl}pyrrolidin-1-yl)benzoate
Smiles: CCCOC(=O)c1ccc(cc1)N1CC(CC1=O)C(=O)Nc1ccc(cc1)Cn1cncn1

STK943190
Synonyms: 5-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2-(thiomorpholin-4-ylmethyl)-4H-pyran-4-one
Smiles: COc1cc(ccc1OC)C(=O)COc1coc(cc1=O)CN1CCSCC1

STK943191
Synonyms: 3-(2,4-dimethoxyphenyl)-7-(2-methoxyphenyl)-6,7-dihydro-3H-imidazo[4,5-b]pyridin-5-ol
Smiles: COc1ccc(c(c1)OC)n1cnc2c1N=C(O)CC2c1ccccc1OC

STK943194
Synonyms: N-(5-chloro-2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carboxamide
Smiles: COc1ccc(cc1)c1nnsc1C(=O)Nc1cc(Cl)ccc1OC

STK943195
Synonyms: 2-[3-(2-fluorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(pyridin-3-ylmethyl)acetamide
Smiles: O=C(Cn1nc(ccc1=O)c1ccccc1F)NCc1cccnc1

STK943196
Synonyms: N-(cyclopropylmethyl)-3-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
Smiles: O=C(Nc1cccc2c1cccn2)Cc1noc(n1)C(=O)NCC1CC1

STK943197
Synonyms: methyl3-({[4-(2,3-difluorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}amino)-4-methoxybenzoate
Smiles: COC(=O)c1ccc(c(c1)NC(=O)N1CCc2c(C1c1cccc(c1F)F)nc[nH]2)OC

STK943200
Synonyms: 6-{[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-4-methyl-2H-1,4-benzoxazin-3(4H)-one
Smiles: COc1ccc(c(c1)F)c1ccc(=O)n(n1)CC(=O)c1ccc2c(c1)N(C)C(=O)CO2

STK943207
Synonyms: N-[4-(2-methyl-2H-tetrazol-5-yl)phenyl]-N'-(pyridin-4-ylmethyl)ethanediamide
Smiles: Cn1nnc(n1)c1ccc(cc1)NC(=O)C(=O)NCc1ccncc1

STK943209
Synonyms: 7-(2,6-difluorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-3H-imidazo[4,5-b]pyridin-5-ol
Smiles: COc1cccc(c1)n1cnc2c1N=C(O)CC2c1c(F)cccc1F

STK943210
Synonyms: 2-(benzylamino)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
Smiles: O=C(c1sc(nc1C)NCc1ccccc1)NCc1ccccn1

STK943211
Synonyms: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(methoxymethyl)-5-(3-methylbutyl)pyrimidin-4-ol
Smiles: COCc1nc(nc(c1CCC(C)C)O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK943213
Synonyms: 2-[(3R)-2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl]-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide
Smiles: O=C(C[C@H]1NC(=O)c2c(N=C1O)cccc2)Nc1nnc(s1)CCc1ccccc1

STK943215
Synonyms: 4-{[(2-hydroxy-3,4-dihydropyrimido[1,2-a]benzimidazol-4-yl)carbonyl]amino}benzoicacid
Smiles: O=C(C1CC(=Nc2n1c1ccccc1n2)O)Nc1ccc(cc1)C(=O)O

STK943219
Synonyms: 4-{5-[(2-{[(2Z)-4-methyl-1,3-thiazol-2(3H)-ylidene]amino}-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoicacid
Smiles: O=C(/N=c/1\scc([nH]1)C)CSc1nnnn1c1ccc(cc1)C(=O)O

STK943220
Synonyms: 4-{[4-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}-3,4-dihydroquinoxalin-2-ol
Smiles: OC1=Nc2ccccc2N(C1)S(=O)(=O)c1scc(c1)c1ccno1

STK943222
Synonyms: 4-[3-methoxy-4-(propan-2-yloxy)phenyl]-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: COc1cc(ccc1OC(C)C)C1SCC(=Nc2c1c(C)n[nH]2)O

STK943226
Synonyms: N-(3-chloro-4-fluorophenyl)-5-hydroxy-1-oxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
Smiles: O=C1CCC2(N1c1ccccc1C(=N2)O)C(=O)Nc1ccc(c(c1)Cl)F

STK943229
Synonyms: N-[4-(1H-tetrazol-1-yl)phenyl]methanesulfonamide
Smiles: CS(=O)(=O)Nc1ccc(cc1)n1cnnn1

STK943231
Synonyms: N-(3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
Smiles: COc1cc(OC)cc(c1)Nc1ncnc2c1cc(OC)c(c2)OC

STK943238
Synonyms: N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
Smiles: Clc1cccc(c1)N1CCN(CC1)C(=O)NCC(=O)Nc1nc2c([nH]1)cccc2

STK943239
Synonyms: 3,4-dihydroisoquinolin-2(1H)-yl[trans-4-(1H-tetrazol-1-ylmethyl)cyclohexyl]methanone
Smiles: O=C(N1CCc2c(C1)cccc2)C1CC[C@H](CC1)Cn1cnnn1

STK943241
Synonyms: 3-hydroxy-2-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-2H-1,4-benzoxazine-2-carboxamide
Smiles: O=C(C1(C)Oc2ccccc2N=C1O)Nc1cccc(c1)CN1CCOCC1

STK943243
Synonyms: N-[(2Z)-5-cyclopropyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxopyridazin-1(6H)-yl]acetamide
Smiles: O=C(Cn1nc(ccc1=O)n1nc(cc1C)C)/N=c\1/[nH]nc(s1)C1CC1

STK943244
Synonyms: 3-(3-bromophenyl)-7-(thiophen-2-yl)-6,7-dihydro-3H-imidazo[4,5-b]pyridin-5-ol
Smiles: Brc1cccc(c1)n1cnc2c1N=C(O)CC2c1cccs1

STK943245
Synonyms: N-(4-acetylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
Smiles: CC(=O)c1ccc(cc1)NS(=O)(=O)c1c(C)noc1C

STK943246
Synonyms: 5-{[(3-methoxyphenyl)amino]methyl}-2-propyl-1,2-dihydro-3H-1,2,4-triazol-3-one
Smiles: CCCn1[nH]c(nc1=O)CNc1cccc(c1)OC

STK943247
Synonyms: 7-(3-fluorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-3H-imidazo[4,5-b]pyridin-5-ol
Smiles: COc1cccc(c1)n1cnc2c1N=C(O)CC2c1cccc(c1)F

STK943251
Synonyms: N-(2-carbamoylphenyl)-4-[(4-oxoquinazolin-3(4H)-yl)methyl]benzamide
Smiles: O=C(c1ccc(cc1)Cn1cnc2c(c1=O)cccc2)Nc1ccccc1C(=O)N

STK943252
Synonyms: [4-(3-methoxyphenyl)piperazin-1-yl][3-(1H-pyrrol-1-yl)phenyl]methanone
Smiles: COc1cccc(c1)N1CCN(CC1)C(=O)c1cccc(c1)n1cccc1

STK943253
Synonyms: 1-(2-aminoethyl)-3-cyclohexylurea
Smiles: NCCNC(=O)NC1CCCCC1

STK943257
Synonyms: 3-(3-{[4-(tert-butoxycarbonyl)piperazin-1-yl](carboxy)methyl}-6-fluoro-1H-indol-1-yl)propanoicacid
Smiles: OC(=O)CCn1cc(c2c1cc(F)cc2)C(N1CCN(CC1)C(=O)OC(C)(C)C)C(=O)O

STK943262
Synonyms: ethyl1-{[4-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)S(=O)(=O)c1scc(c1)c1ccno1

STK943264
Synonyms: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxo-N-(pyridin-2-yl)butanamide
Smiles: O=C(Nc1ccccn1)CCC(=O)N1CCN(CC1)c1nsc2c1cccc2

STK943266
Synonyms: N-(4-fluorobenzyl)-4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxamide
Smiles: Fc1ccc(cc1)CNC(=O)c1c(sc(c1C)C)n1cnnn1

STK943270
Synonyms: 4-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]phenol
Smiles: Oc1ccc(cc1)c1nnc([nH]1)c1ccncc1

STK943273
Synonyms: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
Smiles: O=C(C1CC(=O)N(C1c1ccccc1)C)Nc1ccc2c(c1)OCCCO2

STK943278
Synonyms: 2-[acetyl(tetrahydrofuran-2-ylmethyl)amino]-N-(1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
Smiles: CC(=O)N(c1nc(c(s1)C(=O)Nc1ccc2c(c1)cc[nH]2)C)CC1CCCO1

STK943279
Synonyms: 2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxylicacid
Smiles: OC(=O)c1sc(nc1C)NC1CC1

STK943285
Synonyms: N-[2-(morpholin-4-yl)ethyl]-N'-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanediamide
Smiles: O=C(C(=O)Nc1[nH]nc2c1cccn2)NCCN1CCOCC1

STK943289
Synonyms: [3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl]aceticacid
Smiles: OC(=O)Cn1nc(ccc1=O)c1ccco1

STK943290
Synonyms: N-benzyl-2-({6-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-oxo-4H-pyran-3-yl}oxy)-N-methylacetamide
Smiles: COc1cc2CN(CCc2cc1OC)Cc1occ(c(=O)c1)OCC(=O)N(Cc1ccccc1)C

STK943291
Synonyms: 4-{[5-(dimethylsulfamoyl)-1-benzofuran-2-yl]methoxy}-N-(furan-2-ylmethyl)benzamide
Smiles: O=C(c1ccc(cc1)OCc1cc2c(o1)ccc(c2)S(=O)(=O)N(C)C)NCc1ccco1

STK943295
Synonyms: 3-[(3S)-2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
Smiles: COc1ccc2c(c1)sc(n2)NC(=O)CC[C@@H]1NC(=O)c2c(N=C1O)cccc2

STK943299
Synonyms: 5-amino-4-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1NN=C(C1c1ccccc1)N

STK943301
Synonyms: 6-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCn1nc(c(c1C)c1sc2n(n1)c(nn2)C(C)C)C

STK943307
Synonyms: 3-(3-methoxyphenyl)-7-[3-methoxy-2-(propan-2-yloxy)phenyl]-6,7-dihydro-3H-imidazo[4,5-b]pyridin-5-ol
Smiles: COc1cccc(c1)n1cnc2c1N=C(O)CC2c1cccc(c1OC(C)C)OC

STK943309
Synonyms: 3-(pyrrolidin-1-ylcarbonyl)-8-(trifluoromethoxy)quinolin-4(1H)-one
Smiles: O=C(c1c[nH]c2c(c1=O)cccc2OC(F)(F)F)N1CCCC1

STK943312
Synonyms: 2-{[(3-oxopiperazin-1-yl)carbonyl]amino}benzoicacid
Smiles: O=C1NCCN(C1)C(=O)Nc1ccccc1C(=O)O

STK943313
Synonyms: N-[2-(dimethylamino)ethyl]-N'-(1H-indol-4-yl)ethanediamide
Smiles: CN(CCNC(=O)C(=O)Nc1cccc2c1cc[nH]2)C

STK943314
Synonyms: 3-methyl-6-(propan-2-yl)-N-(pyridin-2-yl)[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
Smiles: O=C(c1cc(nc2c1c(C)no2)C(C)C)Nc1ccccn1

STK943316
Synonyms: (4-benzylpiperazin-1-yl){5-[(2-methylpropanoyl)amino]-1H-indol-3-yl}aceticacid
Smiles: CC(C(=O)Nc1ccc2c(c1)c(c[nH]2)C(C(=O)O)N1CCN(CC1)Cc1ccccc1)C

STK943319
Synonyms: 1-benzyl-3-{carboxy[4-(methylsulfonyl)piperazin-1-yl]methyl}-1H-indole-5-carboxylicacid
Smiles: OC(=O)C(c1cn(c2c1cc(cc2)C(=O)O)Cc1ccccc1)N1CCN(CC1)S(=O)(=O)C

STK943325
Synonyms: N-(1,3-benzodioxol-5-yl)-2-{[1-(2-hydroxyethyl)-2-methyl-4-oxo-1,4-dihydropyridin-3-yl]oxy}acetamide
Smiles: OCCn1ccc(=O)c(c1C)OCC(=O)Nc1ccc2c(c1)OCO2

STK943329
Synonyms: 6-cyclopropyl-N-(3-methoxyphenyl)-3-methyl[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
Smiles: COc1cccc(c1)NC(=O)c1cc(nc2c1c(C)no2)C1CC1

STK943333
Synonyms: 3-amino-6-(pyridin-3-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: NC(=O)c1sc2c(c1N)c(cc(n2)c1cccnc1)C(F)(F)F

STK943334
Synonyms: 2-[(pyrrolidin-1-ylcarbonyl)amino]benzoicacid
Smiles: O=C(N1CCCC1)Nc1ccccc1C(=O)O

STK943338
Synonyms: 4-hydroxy-N-{2-[(phenylsulfonyl)amino]ethyl}quinazoline-2-carboxamide
Smiles: O=C(c1nc(O)c2c(n1)cccc2)NCCNS(=O)(=O)c1ccccc1

STK943342
Synonyms: 3-amino-N-[(2E)-4-methyl-1,3-thiazol-2(3H)-ylidene]-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1ccncc1)/N=c\1/scc([nH]1)C

STK943344
Synonyms: azepan-1-yl[4-methyl-3-(1H-tetrazol-1-yl)phenyl]methanone
Smiles: O=C(c1ccc(c(c1)n1cnnn1)C)N1CCCCCC1

STK943349
Synonyms: 4-(3-methoxyphenyl)-1,3-dimethyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: COc1cccc(c1)C1SCC(=Nc2c1c(C)nn2C)O

STK943351
Synonyms: N-{[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]carbonyl}glycylglycine
Smiles: O=C(NCC(=O)O)CNC(=O)c1sc(nc1C)c1ccccc1Cl

STK943354
Synonyms: 7-bromo-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
Smiles: COc1ccccc1N1CCN(CC1)c1ncnc2c1ccc(c2)Br

STK943355
Synonyms: 5-methoxy-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-pyran-2-carboxamide
Smiles: COc1coc(cc1=O)C(=O)/N=c\1/[nH]nc(s1)CC(C)C

STK943358
Synonyms: 4-amino-5-(morpholin-4-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1N)CN1CCOCC1

STK943359
Synonyms: 2-(2,5-dioxo-6-phenyl-2,5,6,7-tetrahydro-3H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-(furan-2-ylmethyl)acetamide
Smiles: O=C(Cn1c(=O)nc2n1C(=O)N(C2)c1ccccc1)NCc1ccco1

STK943361
Synonyms: N-{2-[(phenylsulfonyl)amino]ethyl}-1,3-benzothiazole-2-carboxamide
Smiles: O=C(c1nc2c(s1)cccc2)NCCNS(=O)(=O)c1ccccc1

STK943366
Synonyms: 3-(3,5-difluorophenyl)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-3H-imidazo[4,5-b]pyridin-5-ol
Smiles: COc1ccc(cc1O)C1CC(=Nc2c1ncn2c1cc(F)cc(c1)F)O

STK943367
Synonyms: (3E)-6-(ethylsulfonyl)-3-[2-(3-methyl-5-phenylthiophen-2-yl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Smiles: CCS(=O)(=O)c1ccc2c(c1)[nH]/c(=C/C(=O)c1sc(cc1C)c1ccccc1)/c(=O)o2

STK943369
Synonyms: 2-{[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}-N-(2-methoxyethyl)acetamide
Smiles: COCCNC(=O)CSCc1nc(O)c2c(n1)sc(c2C)C

STK943370
Synonyms: 4-{[(6-bromo-1H-indol-1-yl)acetyl]amino}benzamide
Smiles: O=C(Cn1ccc2c1cc(Br)cc2)Nc1ccc(cc1)C(=O)N

STK943374
Synonyms: {4-[(4-fluorophenyl)sulfonyl]piperazin-1-yl}[1-(1H-tetrazol-1-yl)cyclohexyl]methanone
Smiles: Fc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1(CCCCC1)n1cnnn1

STK943376
Synonyms: trans-N-[3-(acetylamino)phenyl]-4-[(2-hydroxy-4-oxoquinazolin-3(4H)-yl)methyl]cyclohexanecarboxamide
Smiles: CC(=O)Nc1cccc(c1)NC(=O)[C@@H]1CC[C@H](CC1)Cn1c(O)nc2c(c1=O)cccc2

STK943378
Synonyms: 3-(2,5-dimethoxyphenyl)-7-(3-methoxyphenyl)-6,7-dihydro-3H-imidazo[4,5-b]pyridin-5-ol
Smiles: COc1cccc(c1)C1CC(=Nc2c1ncn2c1cc(OC)ccc1OC)O

STK943380
Synonyms: N-[3-(propan-2-yloxy)propyl]-2-[1-(1H-tetrazol-1-ylmethyl)cyclohexyl]acetamide
Smiles: O=C(CC1(CCCCC1)Cn1cnnn1)NCCCOC(C)C

STK943383
Synonyms: 4-amino-5-ethyl-6-methyl-1-[2-(morpholin-4-yl)ethyl]thieno[2,3-d]pyrimidin-2(1H)-one
Smiles: CCc1c(C)sc2c1c(N)nc(=O)n2CCN1CCOCC1

STK943384
Synonyms: N-{3-[(3,4-dimethylphenyl)sulfonyl]thiophen-2-yl}acetamide
Smiles: CC(=O)Nc1sccc1S(=O)(=O)c1ccc(c(c1)C)C

STK943385
Synonyms: 1-{[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]carbonyl}piperidine-4-carboxylicacid
Smiles: OC(=O)C1CCN(CC1)C(=O)c1sc(nc1C)c1ccc(cc1Cl)Cl

STK943392
Synonyms: N-[3-(1,1-dioxido-1,2-thiazinan-2-yl)-4-methoxyphenyl]-N'-(1-hydroxy-2-methylpropan-2-yl)ethanediamide
Smiles: OCC(NC(=O)C(=O)Nc1ccc(c(c1)N1CCCCS1(=O)=O)OC)(C)C

STK943394
Synonyms: N-[3-(acetylamino)phenyl]-2-[acetyl(benzyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
Smiles: CC(=O)Nc1cccc(c1)NC(=O)c1sc(nc1C)N(C(=O)C)Cc1ccccc1

STK943398
Synonyms: 3-methyl-N-(pyridin-4-yl)-6,7-dihydro-5H-cyclopenta[b][1,2]oxazolo[4,5-e]pyridine-4-carboxamide
Smiles: O=C(c1c2CCCc2nc2c1c(C)no2)Nc1ccncc1

STK943400
Synonyms: N-(pyridin-4-ylmethyl)-1-(1H-tetrazol-1-yl)cyclohexanecarboxamide
Smiles: O=C(C1(CCCCC1)n1cnnn1)NCc1ccncc1

STK943406
Synonyms: 4-chloro-N-[(2E)-5-{[4-(dimethylamino)phenyl]sulfanyl}-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: Clc1ccc(cc1)C(=O)/N=c/1\[nH]nc(s1)Sc1ccc(cc1)N(C)C

STK943407
Synonyms: N-[4-(2-methyl-2H-tetrazol-5-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethanediamide
Smiles: Cn1nnc(n1)c1ccc(cc1)NC(=O)C(=O)NCc1ccccn1

STK943408
Synonyms: N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-1-methyl-1H-indole-6-carboxamide
Smiles: O=C(c1ccc2c(c1)n(C)cc2)NCC1CC2CC1C=C2

STK943409
Synonyms: 1-[(1-methyl-1H-indol-5-yl)carbonyl]piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)ccn2C

STK943416
Synonyms: [4-(3-chlorobenzyl)piperazin-1-yl][5-(cyanomethoxy)-1H-indol-3-yl]aceticacid
Smiles: N#CCOc1ccc2c(c1)c(c[nH]2)C(N1CCN(CC1)Cc1cccc(c1)Cl)C(=O)O

STK943418
Synonyms: 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylicacid
Smiles: OC(=O)c1c(C)c(sc1n1cnnn1)C

STK943420
Synonyms: N-[2-chloro-5-(1H-tetrazol-1-yl)phenyl]benzamide
Smiles: Clc1ccc(cc1NC(=O)c1ccccc1)n1cnnn1

STK943421
Synonyms: N-(2,5-dimethoxyphenyl)-2-(5-methoxy-1H-indol-1-yl)acetamide
Smiles: COc1ccc(c(c1)NC(=O)Cn1ccc2c1ccc(c2)OC)OC

STK943423
Synonyms: (4-hydroxyphthalazin-1-yl)(morpholin-4-yl)methanone
Smiles: O=C(c1nnc(c2c1cccc2)O)N1CCOCC1

STK943424
Synonyms: N-{[1-(dimethylamino)cyclohexyl]methyl}-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanediamide
Smiles: CN(C1(CCCCC1)CNC(=O)C(=O)Nc1ccc(cc1)c1nnc(o1)C)C

STK943425
Synonyms: 2-[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]acetohydrazide
Smiles: NNC(=O)Cc1nnc([nH]1)c1ccccn1

STK943426
Synonyms: 5-[4-cyano-5-(propan-2-ylamino)-1,3-oxazol-2-yl]-N,N,2-trimethylfuran-3-sulfonamide
Smiles: N#Cc1nc(oc1NC(C)C)c1oc(c(c1)S(=O)(=O)N(C)C)C

STK943427
Synonyms: 5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-amine
Smiles: Nc1n[nH]c(n1)CCCc1c[nH]c2c1cccc2

STK943428
Synonyms: N-(1H-indol-6-yl)-6-(3-oxo-1,2-benzothiazol-2(3H)-yl)hexanamide
Smiles: O=C(Nc1ccc2c(c1)[nH]cc2)CCCCCn1sc2c(c1=O)cccc2

STK943431
Synonyms: N-{3-[acetyl(methyl)amino]propyl}-4-hydroxyquinazoline-2-carboxamide
Smiles: CC(=O)N(CCCNC(=O)c1nc(O)c2c(n1)cccc2)C

STK943432
Synonyms: (4-hydroxyquinolin-3-yl)(4-phenylpiperazin-1-yl)methanone
Smiles: O=C(c1cnc2c(c1O)cccc2)N1CCN(CC1)c1ccccc1

STK943438
Synonyms: N-(pyridin-3-yl)-4-{[5-(pyrrolidin-1-ylsulfonyl)furan-2-yl]methoxy}benzamide
Smiles: O=C(c1ccc(cc1)OCc1ccc(o1)S(=O)(=O)N1CCCC1)Nc1cccnc1

STK943440
Synonyms: 4-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
Smiles: O=C(c1cc2c(n1C)ccs2)Nc1cccc(c1)CN1CCOCC1

STK943441
Synonyms: 3-(cyclopentylamino)-1-hydroxy-9,10-dihydropyrimido[4,5-c]isoquinolin-7(8H)-one
Smiles: O=C1CCCc2c1cnc1c2c(O)nc(n1)NC1CCCC1

STK943444
Synonyms: N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C)CCn1nnc2c(c1=O)cccc2

STK943448
Synonyms: N-[(2E)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-5-oxo-5-[4-(pyridin-2-yl)piperazin-1-yl]pentanamide
Smiles: O=C(/N=c/1\[nH]nc(s1)C)CCCC(=O)N1CCN(CC1)c1ccccn1

STK943449
Synonyms: 6,7-dimethoxy-3-{[1-(2-methylpropyl)-2-(1H-pyrazol-1-ylmethyl)-1H-benzimidazol-5-yl]amino}-2-benzofuran-1(3H)-one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1ccc2c(c1)nc(n2CC(C)C)Cn1cccn1

STK943450
Synonyms: ethyl5-methyl-3-[2-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Smiles: CCOC(=O)c1sc2c(c1C)c(=O)n(cn2)CC(=O)c1ccc2c(c1)N(C)C(=O)CO2

STK943451
Synonyms: 2-(6-bromo-1H-indol-1-yl)-N-[3-(dimethylamino)propyl]acetamide
Smiles: CN(CCCNC(=O)Cn1ccc2c1cc(Br)cc2)C

STK943455
Synonyms: (2R)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-phenyl-2-(1H-tetrazol-1-yl)ethanone
Smiles: Clc1ccc(c(c1)N1CCN(CC1)C(=O)[C@H](n1cnnn1)c1ccccc1)C

STK943460
Synonyms: N-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-[1-(1H-tetrazol-1-ylmethyl)cyclohexyl]acetamide
Smiles: O=C(CC1(CCCCC1)Cn1cnnn1)/N=c/1\[nH]nc(s1)C(C)C

STK943462
Synonyms: 2-(benzylamino)-N-[(2E)-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-1,3-thiazole-4-carboxamide
Smiles: O=C(c1csc(n1)NCc1ccccc1)/N=c/1\[nH]c(c(s1)C)C

STK943464
Synonyms: 2-(6-bromo-1H-indol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Cn1ccc2c1cc(Br)cc2)Nc1nccs1

STK943465
Synonyms: 2-(3,4-dimethoxyphenyl)-4-methyl-N-[(2E)-1,3,4-thiadiazol-2(3H)-ylidene]-1,3-thiazole-5-carboxamide
Smiles: COc1cc(ccc1OC)c1nc(c(s1)C(=O)/N=c\1/scn[nH]1)C

STK943467
Synonyms: 3-(3-{carboxy[4-(pyridin-2-yl)piperazin-1-yl]methyl}-5-methoxy-1H-indol-1-yl)propanoicacid
Smiles: COc1ccc2c(c1)c(cn2CCC(=O)O)C(N1CCN(CC1)c1ccccn1)C(=O)O

STK943469
Synonyms: N-[(2Z)-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)acetamide
Smiles: Cc1cs/c(=N\C(=O)Cn2sc3c(c2=O)cccc3)/[nH]1

STK943471
Synonyms: 2-bromo-N-{2-[3-(6-methylpyridin-3-yl)-1,2,4-oxadiazol-5-yl]phenyl}benzamide
Smiles: Cc1ccc(cn1)c1noc(n1)c1ccccc1NC(=O)c1ccccc1Br

STK943473
Synonyms: 2-[(furan-2-ylmethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
Smiles: O=C(c1sc(nc1C)NCc1ccco1)NCCc1c[nH]c2c1cccc2

STK943474
Synonyms: [6-bromo-1-(carboxymethyl)-1H-indol-3-yl][4-(pyrimidin-2-yl)piperazin-1-yl]aceticacid
Smiles: OC(=O)Cn1cc(c2c1cc(Br)cc2)C(N1CCN(CC1)c1ncccn1)C(=O)O

STK943476
Synonyms: 3-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-5-hydroxy-6,7-dihydropyrazolo[1,5-a]pyrimidine-7-carboxamide
Smiles: COc1cc(ccc1OC)c1cnn2c1N=C(O)CC2C(=O)Nc1cccc(c1)F

STK943477
Synonyms: 7-(2-methoxyethyl)-3-methyl-1-(2-phenylethyl)-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c2c(=O)n(CCc3ccccc3)c(=O)n(c2nc1n1nc(c(c1C)C)C)C

STK943479
Synonyms: N-(furan-2-ylmethyl)-1'-oxo-2'-phenyl-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Smiles: O=C(C1c2ccccc2C(=O)N(C21CCCC2)c1ccccc1)NCc1ccco1

STK943480
Synonyms: 6-(4-fluoro-2-methoxyphenyl)-2-[3-(trifluoromethoxy)benzyl]pyridazin-3(2H)-one
Smiles: COc1cc(F)ccc1c1ccc(=O)n(n1)Cc1cccc(c1)OC(F)(F)F

STK943482
Synonyms: 3-(3-fluorophenyl)-6-(3-methyl-1-propyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCCn1nc(cc1c1nn2c(s1)nnc2c1cccc(c1)F)C

STK943483
Synonyms: N-[(6-oxo-3-phenylpyridazin-1(6H)-yl)acetyl]-L-valine
Smiles: CC([C@@H](C(=O)O)NC(=O)Cn1nc(ccc1=O)c1ccccc1)C

STK943484
Synonyms: 4-amino-1-[2-(dimethylamino)ethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-one
Smiles: CN(CCn1c(=O)nc(c2c1sc1c2CCCCC1)N)C

STK943486
Synonyms: N-(1-hydroxy-3-methylbutan-2-yl)-1,3-dioxo-2-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
Smiles: OCC(C(C)C)NC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)Cn1ncnc1

STK943489
Synonyms: N-(2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)glycine
Smiles: CCc1nc(NCC(=O)O)c2c(n1)sc1c2CCC1

STK943491
Synonyms: N-(4-butylphenyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
Smiles: CCCCc1ccc(cc1)NC(=O)Cc1sc(nc1C)C

STK943492
Synonyms: 2-{4-[5-hydroxy-3-(4-methoxyphenyl)-6,7-dihydro[1,2]thiazolo[4,5-b]pyridin-7-yl]phenoxy}acetamide
Smiles: COc1ccc(cc1)c1nsc2c1N=C(O)CC2c1ccc(cc1)OCC(=O)N

STK943493
Synonyms: methylN-{[(5-chloro-2-hydroxyphenyl)amino](oxo)acetyl}-beta-alaninate
Smiles: COC(=O)CCNC(=O)C(=O)Nc1cc(Cl)ccc1O

STK943494
Synonyms: 3-{[(4-chlorophenyl)amino]methyl}-1-{[1-(4-fluorophenyl)-1H-tetrazol-5-yl]methyl}-1H-1,2,4-triazol-5-ol
Smiles: Fc1ccc(cc1)n1nnnc1Cn1nc(nc1O)CNc1ccc(cc1)Cl

STK943499
Synonyms: 9-(3-hydroxyphenyl)-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide
Smiles: Oc1cccc(c1)C1C2=C(CCCC2=O)Nc2n1ncc2C(=O)N

STK943501
Synonyms: 6-(furan-2-yl)-2-[3-(trifluoromethoxy)benzyl]pyridazin-3(2H)-one
Smiles: O=c1ccc(nn1Cc1cccc(c1)OC(F)(F)F)c1ccco1

STK943502
Synonyms: methyl4-({[4-(4-chlorobenzyl)-4H-furo[3,2-b]pyrrol-5-yl]carbonyl}amino)-1,3-dimethyl-1H-pyrazole-5-carboxylate
Smiles: COC(=O)c1n(C)nc(c1NC(=O)c1cc2c(n1Cc1ccc(cc1)Cl)cco2)C

STK943504
Synonyms: 2-methoxy-N-(2-methyl-1H-benzimidazol-5-yl)benzamide
Smiles: COc1ccccc1C(=O)Nc1ccc2c(c1)nc([nH]2)C

STK943505
Synonyms: 9-(2,3-dimethoxyphenyl)-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carbonitrile
Smiles: COc1cccc(c1OC)C1C2=C(CCCC2=O)Nc2n1ncc2C#N

STK943506
Synonyms: N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
Smiles: COc1c(OC)cc(cc1OC)NC(=O)c1noc2c1CCCCC2

STK943507
Synonyms: trans-N-cyclooctyl-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
Smiles: O=C(C1CC[C@H](CC1)Cn1cnnn1)NC1CCCCCCC1

STK943508
Synonyms: 5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-(2-phenylethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione
Smiles: Cc1nnc(s1)NC1(NC(=O)N(C1=O)CCc1ccccc1)C(F)(F)F

STK943511
Synonyms: 1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(2-oxo-2H-chromen-6-yl)pyrrolidine-3-carboxamide
Smiles: O=c1ccc2c(o1)ccc(c2)NC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(=O)(=O)N(C)C

STK943517
Synonyms: 3,5-dimethoxy-N-[2-(trifluoromethyl)-1H-benzimidazol-5-yl]benzamide
Smiles: COc1cc(OC)cc(c1)C(=O)Nc1ccc2c(c1)nc([nH]2)C(F)(F)F

STK943527
Synonyms: 2-carboxy-N-[2-(1H-pyrazol-1-yl)ethyl]ethanaminium
Smiles: OC(=O)CC[NH2+]CCn1cccn1

STK943528
Synonyms: 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2E)-4-methyl-1,3-thiazol-2(3H)-ylidene]-5-oxopentanamide
Smiles: Clc1cccc(c1)N1CCN(CC1)C(=O)CCCC(=O)/N=c\1/scc([nH]1)C

STK943529
Synonyms: 4-methyl-N-{3-[(methylsulfanyl)methyl]phenyl}-4H-thieno[3,2-b]pyrrole-5-carboxamide
Smiles: CSCc1cccc(c1)NC(=O)c1cc2c(n1C)ccs2

STK943532
Synonyms: N-[4-(acetylamino)phenyl]-1H-indole-3-carboxamide
Smiles: CC(=O)Nc1ccc(cc1)NC(=O)c1c[nH]c2c1cccc2

STK943533
Synonyms: 1-{3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl}ethanone
Smiles: COc1cc2c(ncnc2cc1OC)Nc1cccc(c1)C(=O)C

STK943536
Synonyms: 4-benzyl-N-(1,2-oxazol-3-yl)-4H-furo[3,2-b]pyrrole-5-carboxamide
Smiles: O=C(c1cc2c(n1Cc1ccccc1)cco2)Nc1nocc1

STK943537
Synonyms: 4-({[6-(benzyloxy)-1H-indol-1-yl]acetyl}amino)butanoicacid
Smiles: O=C(Cn1ccc2c1cc(OCc1ccccc1)cc2)NCCCC(=O)O

STK943539
Synonyms: 2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-(2-fluorophenyl)pyridazin-3(2H)-one
Smiles: Clc1ccc(cc1)C1(O)CCN(CC1)C(=O)Cn1nc(ccc1=O)c1ccccc1F

STK943540
Synonyms: 3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-(thiophen-2-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Smiles: OC1=Nc2c(C(C1)c1cccs1)c(nn2c1ccc2n(n1)c(C)nn2)C

STK943541
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N'-(3-hydroxyphenyl)ethanediamide
Smiles: Oc1cccc(c1)NC(=O)C(=O)NCC1COc2c(O1)cccc2

STK943542
Synonyms: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-[(2Z)-5-tert-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C(C)(C)C)CCC(=O)N1CCN(CC1)c1nsc2c1cccc2

STK943547
Synonyms: 1-(3-chlorophenyl)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylicacid
Smiles: COc1cc(ccc1O)C1CC(=Nc2c1n(cc2C(=O)O)c1cccc(c1)Cl)O

STK943551
Synonyms: N-(4-chlorobenzyl)-2-[(1,2-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]acetamide
Smiles: O=C(COc1c(=O)ccn(c1C)C)NCc1ccc(cc1)Cl

STK943553
Synonyms: [3-(3-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]aceticacid
Smiles: COc1cccc(c1)c1ccc(=O)n(n1)CC(=O)O

STK943554
Synonyms: N-(5-chloro-2-methoxyphenyl)-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxopyridazin-1(6H)-yl]acetamide
Smiles: COc1ccc(cc1NC(=O)Cn1nc(ccc1=O)n1nc(cc1C)C)Cl

STK943556
Synonyms: 3-hydroxy-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2H-1,4-benzoxazine-2-carboxamide
Smiles: Cc1csc(n1)NC(=O)C1(C)Oc2ccccc2N=C1O

STK943559
Synonyms: N-(2,3-dichlorophenyl)-2-[(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Smiles: O=C(Nc1cccc(c1Cl)Cl)CSc1ccc2n(n1)c(C)nn2

STK943561
Synonyms: N-{[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]carbonyl}-D-methionine
Smiles: CSCC[C@H](C(=O)O)NC(=O)c1sc(nc1C)c1ccccc1Cl

STK943563
Synonyms: N-(4-carbamoylphenyl)-1-methyl-1H-indole-4-carboxamide
Smiles: O=C(c1cccc2c1ccn2C)Nc1ccc(cc1)C(=O)N

STK943568
Synonyms: 3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy}-2-methyl-4H-pyran-4-one
Smiles: O=C(N1CCN(CC1)c1ccc(cc1)F)COc1c(=O)ccoc1C

STK943574
Synonyms: 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CSc1nc(OC(C)C)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)N1CCOCC1

STK943575
Synonyms: 2-(4-bromobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one
Smiles: Brc1ccc(cc1)Cn1nc(ccc1=O)c1cccs1

STK943576
Synonyms: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl][1-(carboxymethyl)-1H-indol-3-yl]aceticacid
Smiles: OC(=O)Cn1cc(c2c1cccc2)C(N1CCN(CC1)c1ncc(cn1)Br)C(=O)O

STK943582
Synonyms: N-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]-N'-[2-(morpholin-4-yl)ethyl]ethanediamide
Smiles: CC(Cn1nc(c(c1C)NC(=O)C(=O)NCCN1CCOCC1)C)C

STK943583
Synonyms: 2-(3,3-dimethyl-2-oxobutyl)-6-(2-methoxyphenyl)pyridazin-3(2H)-one
Smiles: COc1ccccc1c1ccc(=O)n(n1)CC(=O)C(C)(C)C

STK943586
Synonyms: N-{1-(2-methoxyethyl)-4,5-dimethyl-3-[(4-methylphenyl)sulfonyl]-1H-pyrrol-2-yl}pyridine-4-carboxamide
Smiles: COCCn1c(C)c(c(c1NC(=O)c1ccncc1)S(=O)(=O)c1ccc(cc1)C)C

STK943587
Synonyms: L-isoleucinamide
Smiles: CC[C@@H]([C@@H](C(=O)N)N)C

STK943588
Synonyms: 1-{4-[(1-methyl-1H-indol-5-yl)carbonyl]piperazin-1-yl}ethanone
Smiles: CC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)ccn2C

STK943589
Synonyms: 1-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
Smiles: O=C(C1CC(=O)N(C1)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)NC1CC1

STK943590
Synonyms: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(pyridin-4-ylmethyl)propanamide
Smiles: O=C(NCc1ccncc1)CCSc1ncnc2c1c(C)c(s2)C

STK943591
Synonyms: 3-(4-bromo-1H-indol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
Smiles: COc1ccccc1CCNC(=O)CCn1ccc2c1cccc2Br

STK943595
Synonyms: N-(3-bromophenyl)-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxopyridazin-1(6H)-yl]acetamide
Smiles: O=C(Cn1nc(ccc1=O)n1nc(cc1C)C)Nc1cccc(c1)Br

STK943599
Synonyms: N-[2-(1H-indol-3-yl)ethyl]-5-phenylthiophene-2-carboxamide
Smiles: O=C(c1ccc(s1)c1ccccc1)NCCc1c[nH]c2c1cccc2

STK943600
Synonyms: (4E)-4-{[(2-fluorophenyl)amino]methylidene}-5-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/Nc1ccccc1F)c1ccc2n(n1)cnn2

STK943603
Synonyms: 3-methyl-1-(pyrimidin-2-yl)-1H-pyrazol-5-amine
Smiles: Cc1nn(c(c1)N)c1ncccn1

STK943607
Synonyms: N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N'-(propan-2-yl)ethanediamide
Smiles: CC(NC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2)C

STK943608
Synonyms: 1-methyl-N-[(2E)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-1H-indole-6-carboxamide
Smiles: CC(Cc1n[nH]/c(=N\C(=O)c2ccc3c(c2)n(C)cc3)/s1)C

STK943609
Synonyms: (2R)-{[3-(6-fluoro-1H-indol-1-yl)propanoyl]amino}(phenyl)ethanoicacid
Smiles: O=C(N[C@H](c1ccccc1)C(=O)O)CCn1ccc2c1cc(F)cc2

STK943610
Synonyms: 6-(4-methoxyphenyl)-2-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}pyridazin-3(2H)-one
Smiles: COc1ccc(cc1)c1ccc(=O)n(n1)CC(=O)N1CCN(CC1)c1ccccn1

STK943616
Synonyms: 3-[3-(carboxy{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}methyl)-5-methoxy-1H-indol-1-yl]propanoicacid
Smiles: COc1ccc2c(c1)c(cn2CCC(=O)O)C(N1CCN(CC1)CC(=O)N(C)C)C(=O)O

STK943619
Synonyms: 2-(6-fluoro-1H-indol-1-yl)-N-[3-(1H-imidazol-1-yl)propyl]acetamide
Smiles: O=C(Cn1ccc2c1cc(F)cc2)NCCCn1cncc1

STK943623
Synonyms: N-(5-methyl-1,2-oxazol-3-yl)-4-{[5-(pyrrolidin-1-ylsulfonyl)furan-2-yl]methoxy}benzamide
Smiles: Cc1onc(c1)NC(=O)c1ccc(cc1)OCc1ccc(o1)S(=O)(=O)N1CCCC1

STK943624
Synonyms: 3-tert-butyl-3-methyl-2,3-dihydro[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Smiles: CC(C1(C)NN=c2n1c1ccccc1s2)(C)C

STK943626
Synonyms: N-(3-{[(2-chlorophenyl)carbonyl]amino}propyl)-4-hydroxyquinazoline-2-carboxamide
Smiles: O=C(c1nc(O)c2c(n1)cccc2)NCCCNC(=O)c1ccccc1Cl

STK943631
Synonyms: (4E)-5-methyl-4-[(phenylamino)methylidene]-2-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/Nc1ccccc1)c1ccc2n(n1)c(nn2)C(F)(F)F

STK943632
Synonyms: 1-{[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-1H-1,2,4-triazole
Smiles: [O-][N+](=O)c1cccc(c1)c1nnc([nH]1)Cn1cncn1

STK943637
Synonyms: N-[(2E)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-(propan-2-ylamino)-1,3-thiazole-4-carboxamide
Smiles: CC(Nc1scc(n1)C(=O)/N=c/1\[nH]nc(s1)C)C

STK943638
Synonyms: ethyl4-({[2-(cyclopropylamino)-1,3-thiazol-4-yl]carbonyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)c1csc(n1)NC1CC1

STK943645
Synonyms: N-cyclohexylpiperazine-1-carboxamide
Smiles: O=C(N1CCNCC1)NC1CCCCC1

STK943647
Synonyms: 4-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-furo[3,2-b]pyrrole-5-carboxamide
Smiles: Cc1onc(c1)NC(=O)c1cc2c(n1Cc1ccccc1)cco2

STK943648
Synonyms: 2-[(tetrahydrofuran-2-ylmethyl)amino]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
Smiles: O=C(c1csc(n1)NCC1CCCO1)Nc1nccs1

STK943649
Synonyms: {4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}(1-methyl-1H-indol-6-yl)methanone
Smiles: COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)n(C)cc2

STK943650
Synonyms: 6-(2-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylicacid
Smiles: OC(=O)c1cc(nc2c1c(C)[nH]n2)c1ccccc1O

STK943659
Synonyms: 1-{[2-chloro-5-(1H-pyrrol-1-yl)phenyl]carbonyl}-L-prolinamide
Smiles: NC(=O)[C@@H]1CCCN1C(=O)c1cc(ccc1Cl)n1cccc1

STK943662
Synonyms: 3-(3,5-dichlorophenyl)-6-(pyridin-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1cc(Cl)cc(c1)c1nnc2n1nc(s2)c1ccncc1

STK943663
Synonyms: 2-[acetyl(propan-2-yl)amino]-N-(1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
Smiles: CC(N(c1nc(c(s1)C(=O)Nc1ccc2c(c1)cc[nH]2)C)C(=O)C)C

STK943666
Synonyms: 2-[6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl]acetamide
Smiles: NC(=O)Cn1nc(ccc1=O)c1cccs1

STK943667
Synonyms: N-(2,4-dimethoxyphenyl)-5-methoxy-4-oxo-4H-pyran-2-carboxamide
Smiles: COc1ccc(c(c1)OC)NC(=O)c1occ(c(=O)c1)OC

STK943669
Synonyms: N-(2-chlorobenzyl)-2-[(1,2-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]acetamide
Smiles: O=C(NCc1ccccc1Cl)COc1c(=O)ccn(c1C)C

STK943670
Synonyms: 2-{[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl}-5-hydroxy-4H-pyran-4-one
Smiles: Clc1ccc(cc1Cl)N1CCN(CC1)Cc1occ(c(=O)c1)O

STK943673
Synonyms: N-(3-{[(2-fluorophenyl)carbonyl](methyl)amino}propyl)-4-hydroxyquinazoline-2-carboxamide
Smiles: O=C(c1nc(O)c2c(n1)cccc2)NCCCN(C(=O)c1ccccc1F)C

STK943676
Synonyms: methyl5-{[{[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]amino}(oxo)acetyl]amino}-2-hydroxybenzoate
Smiles: COC(=O)c1cc(ccc1O)NC(=O)C(=O)NCCn1nc(cc1C)C

STK943677
Synonyms: N-[(2Z)-5-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
Smiles: CCCCc1n[nH]/c(=N/C(=O)c2cnn(c2n2cccc2)C)/s1

STK943678
Synonyms: 2-(cyclopropylamino)-4-methyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide
Smiles: O=C(c1sc(nc1C)NC1CC1)NCCCc1ccccc1

STK943682
Synonyms: 4-(4-methoxyphenyl)-N-(propan-2-yl)-1,2,3-thiadiazole-5-carboxamide
Smiles: COc1ccc(cc1)c1nnsc1C(=O)NC(C)C

STK943683
Synonyms: 2-[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]pyrazine
Smiles: COc1cccc(c1)c1nnc([nH]1)c1cnccn1

STK943684
Synonyms: 1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
Smiles: O=C(C1CC(=O)N(C1)c1ccc(cc1)S(=O)(=O)N(C)C)Nc1nccs1

STK943687
Synonyms: methyl3-({[4-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}amino)benzoate
Smiles: COC(=O)c1cccc(c1)NC(=O)N1CCc2c(C1c1ccc(c(c1)Cl)F)nc[nH]2

STK943695
Synonyms: [1-({[3-(3-acetyl-1H-indol-1-yl)propanoyl]amino}methyl)cyclohexyl]aceticacid
Smiles: O=C(NCC1(CCCCC1)CC(=O)O)CCn1cc(c2c1cccc2)C(=O)C

STK943696
Synonyms: 6,8-dimethyl-2-(pyridin-3-yl)-4H-3,1-benzoxazin-4-one
Smiles: Cc1cc(C)c2c(c1)c(=O)oc(n2)c1cccnc1

STK943697
Synonyms: 2-[(furan-2-ylmethyl)amino]-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
Smiles: CC(CCNC(=O)c1sc(nc1C)NCc1ccco1)C

STK943698
Synonyms: 3-(3,4-dimethoxyphenyl)-2-methyl-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Smiles: COc1ccc(cc1OC)C1N(C)C(=O)c2c(C1C(=O)/N=c\1/[nH]nc(s1)C)cccc2

STK943699
Synonyms: 2-[5-methyl-4-(piperidin-1-ylsulfonyl)furan-2-yl]-5-(morpholin-4-yl)-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1N1CCOCC1)c1oc(c(c1)S(=O)(=O)N1CCCCC1)C

STK943701
Synonyms: 6-(4-fluoro-2-methoxyphenyl)-2-(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)pyridazin-3(2H)-one
Smiles: COc1cc(F)ccc1c1ccc(=O)n(n1)C1CCc2c(N=C1O)cccc2

STK943704
Synonyms: 5-(5-{[(3-fluorophenyl)carbonyl]amino}-1-methyl-1H-benzimidazol-2-yl)-4-methoxy-1-methyl-1H-pyrrole-3-carboxamide
Smiles: COc1c(cn(c1c1nc2c(n1C)ccc(c2)NC(=O)c1cccc(c1)F)C)C(=O)N

STK943706
Synonyms: 2-(cyclopropylamino)-4-methyl-N-[3-(propan-2-yloxy)propyl]-1,3-thiazole-5-carboxamide
Smiles: CC(OCCCNC(=O)c1sc(nc1C)NC1CC1)C

STK943710
Synonyms: [4-(2,4-dimethylphenyl)piperazin-1-yl][1-(1H-tetrazol-1-yl)cyclohexyl]methanone
Smiles: Cc1ccc(c(c1)C)N1CCN(CC1)C(=O)C1(CCCCC1)n1cnnn1

STK943713
Synonyms: N-cyclopropyl-3-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
Smiles: O=C(Nc1cccc2c1cccn2)Cc1noc(n1)C(=O)NC1CC1

STK943714
Synonyms: 6-{[(2-methyl-1,3-thiazol-4-yl)acetyl]amino}hexanoicacid
Smiles: O=C(Cc1csc(n1)C)NCCCCCC(=O)O

STK943715
Synonyms: 3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: O=C1NCCN1C(=O)Cn1cnc2c(c1=O)c1CCCCCc1s2

STK943716
Synonyms: 2-[5-(benzyloxy)-1H-indol-1-yl]-N-(4-sulfamoylphenyl)acetamide
Smiles: O=C(Cn1ccc2c1ccc(c2)OCc1ccccc1)Nc1ccc(cc1)S(=O)(=O)N

STK943718
Synonyms: 5-[4-(methylsulfanyl)phenyl]-2-(morpholin-4-yl)pyrido[2,3-d]pyrimidin-4-ol
Smiles: CSc1ccc(cc1)c1ccnc2c1c(O)nc(n2)N1CCOCC1

STK943720
Synonyms: 1-(propan-2-yl)-N-(pyridin-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyrazolo[4,3-e]pyridine-4-carboxamide
Smiles: O=C(c1c2CCCc2nc2c1cnn2C(C)C)Nc1ccncc1

STK943722
Synonyms: 6-(2-chloro-6-fluorophenyl)-3-(pyrazin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Fc1cccc(c1c1sc2n(n1)c(nn2)c1nccnc1)Cl

STK943723
Synonyms: N-benzyl-5-[4-cyano-5-(propan-2-ylamino)-1,3-oxazol-2-yl]-N,2-dimethylfuran-3-sulfonamide
Smiles: N#Cc1nc(oc1NC(C)C)c1oc(c(c1)S(=O)(=O)N(Cc1ccccc1)C)C

STK943725
Synonyms: 3-(4-bromo-1H-indol-1-yl)-N-[2-(1H-imidazol-4-yl)ethyl]propanamide
Smiles: O=C(CCn1ccc2c1cccc2Br)NCCc1c[nH]cn1

STK943726
Synonyms: 3-({[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]amino}methyl)benzoicacid
Smiles: Cc1nc(c(s1)C(=O)NCc1cccc(c1)C(=O)O)C

STK943727
Synonyms: N-[3-(1,1-dioxido-1,2-thiazolidin-2-yl)phenyl]-N'-(4-phenylbutan-2-yl)ethanediamide
Smiles: CC(NC(=O)C(=O)Nc1cccc(c1)N1CCCS1(=O)=O)CCc1ccccc1

STK943732
Synonyms: 4-{[4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine
Smiles: Cc1noc(c1C)c1csc(c1)S(=O)(=O)N1CCOc2c1cccc2

STK943734
Synonyms: 2-(2-chlorobenzyl)-5-{[(4-chlorophenyl)amino]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one
Smiles: Clc1ccc(cc1)NCc1[nH]n(c(=O)n1)Cc1ccccc1Cl

STK943738
Synonyms: [4-(2-fluorophenyl)piperazin-1-yl](3-hydroxy-2-methyl-2H-1,4-benzoxazin-2-yl)methanone
Smiles: Fc1ccccc1N1CCN(CC1)C(=O)C1(C)Oc2ccccc2N=C1O

STK943741
Synonyms: 12-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Smiles: O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)NC1CC(C)(C)NC(C1)(C)C

STK943743
Synonyms: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(2-oxo-2H-chromen-6-yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)ccc(=O)o2)CSc1ncnc2c1c(C)c(s2)C

STK943747
Synonyms: 2-[3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[(2E)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: O=C(Cn1nc(ccc1=O)c1ccc(cc1)F)/N=c\1/scn[nH]1

STK943748
Synonyms: 2-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
Smiles: COc1cc(OC)ccc1NC(=O)c1sc(nc1C)N(C(=O)C)CC(C)C

STK943750
Synonyms: N-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Smiles: O=C(c1ccc2c(c1)ncn(c2=O)c1ccccc1F)Nc1ccc(cc1)C(=O)C

STK943752
Synonyms: N-(2-hydroxyethyl)-N'-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanediamide
Smiles: OCCNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2

STK943753
Synonyms: methyl[6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl]acetate
Smiles: COC(=O)Cn1nc(ccc1=O)c1cccs1

STK997051
Synonyms: [5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl](3,4,5-trimethoxyphenyl)methanone
Smiles: COc1ccc(cc1)C1CC(=NN1C(=O)c1cc(OC)c(c(c1)OC)OC)c1ccccc1

STK997135
Synonyms: N-(4-{2-(4-chlorophenyl)-3-[(4-chlorophenyl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetamide
Smiles: Clc1ccc(cc1)C1C(=C(C(=O)N1c1ccc(cc1)NC(=O)C)O)C(=O)c1ccc(cc1)Cl

STK997251
Synonyms: 2-(2,4-dimethoxy-3-methylphenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
Smiles: COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(c(c1OC)C)OC

STK997308
Synonyms: 8-{[2-(dimethylamino)ethyl]amino}-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(NCCN(C)C)nc2c1c(=O)[nH]c(=O)n2C

STK997316
Synonyms: 4-(4,6-dioxo-2,3-diphenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)benzoicacid
Smiles: O=C1N(c2ccc(cc2)C(=O)O)C(=O)C2C1ON(C2c1ccccc1)c1ccccc1

STK997328
Synonyms: (5Z)-5-{[(1-benzylpiperidin-4-yl)amino]methylidene}-1-(3-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Cc1cccc(c1)N1C(=O)NC(=O)/C(=C/NC2CCN(CC2)Cc2ccccc2)/C1=O

STK997334
Synonyms: ethyl2-(acetylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(c(c1)OC)OC)NC(=O)C

STK997455
Synonyms: N-(2-methoxyethyl)-2-{3-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-indol-1-yl}acetamide
Smiles: COCCNC(=O)Cn1cc(c2c1cccc2)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccccc1

STK997478
Synonyms: (2E)-3-{1-[2-(2-chlorophenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1cn(c2c1cccc2)CCOc1ccccc1Cl)/C(=O)NCC1CCCO1

STK997499
Synonyms: 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenylfuran-2-carboxylate
Smiles: COc1ccc(c(c1)OC(=O)c1ccco1)C(=O)/C=C/c1cccs1

STK997520
Synonyms: 2-amino-4-(2-methoxynaphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1c1c(OC)ccc3c1cccc3)C(=O)CCC2

STK997549
Synonyms: 1-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)thiourea(non-preferredname)
Smiles: NC(=S)NN1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3

STK997565
Synonyms: 3-amino-N-(2,5-dichlorophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(cc1)c1ccc2c(n1)sc(c2N)C(=O)Nc1cc(Cl)ccc1Cl

STK997570
Synonyms: (2Z)-N-(4-hydroxyphenyl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1)O)N/N=C/1\C(=O)Nc2c1cccc2

STK997658
Synonyms: (2E)-2-cyano-N-(2,5-dimethylphenyl)-3-(1-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1H-indol-3-yl)prop-2-enamide
Smiles: COCCNC(=O)Cn1cc(c2c1cccc2)/C=C(/C(=O)Nc1cc(C)ccc1C)\C#N

STK997693
Synonyms: benzyl{[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl}acetate
Smiles: N#Cc1ccc(nc1SCC(=O)OCc1ccccc1)c1ccc(c(c1)OC)OC

STK997699
Synonyms: 6-(4-chlorophenyl)-5-methyl-5,6-dihydrobenzimidazo[1,2-c]quinazoline
Smiles: Clc1ccc(cc1)C1N(C)c2ccccc2c2n1c1ccccc1n2

STK997721
Synonyms: (2E)-2-cyano-N-(2-fluorophenyl)-3-(1-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1H-indol-3-yl)prop-2-enamide
Smiles: COCCNC(=O)Cn1cc(c2c1cccc2)/C=C(/C(=O)Nc1ccccc1F)\C#N

STK997733
Synonyms: 5-(2-chlorophenyl)-3-(4-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
Smiles: Fc1ccc(cc1)C1=NN(C(C1)c1ccccc1Cl)c1ccccc1

STK997779
Synonyms: ethyl1-ethyl-5-methoxy-2-methyl-1H-benzo[g]indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OC)c1c2cccc1)CC

STK997795
Synonyms: ethyl2-{[4-methyl-3-(3-methylbutyl)-2-oxo-2H-chromen-7-yl]oxy}propanoate
Smiles: CCOC(=O)C(Oc1ccc2c(c1)oc(=O)c(c2C)CCC(C)C)C

STK997865
Synonyms: N-(2,4-dimethoxyphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1nnc(c(n1)c1ccccc1)c1ccccc1

STK997881
Synonyms: N-{4-oxo-4-[(3-oxoandrost-4-en-17-yl)oxy]butanoyl}valine
Smiles: O=C(NC(C(=O)O)C(C)C)CCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C

STK997891
Synonyms: (2E)-N-(4-chlorophenyl)-2-cyano-3-(1-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1H-indol-3-yl)prop-2-enamide
Smiles: COCCNC(=O)Cn1cc(c2c1cccc2)/C=C(/C(=O)Nc1ccc(cc1)Cl)\C#N

STK997893
Synonyms: 3-methylbutyl(2Z)-3-(4-methoxyphenyl)-2-{[(4-methoxyphenyl)carbonyl]amino}prop-2-enoate
Smiles: COc1ccc(cc1)/C=C(/C(=O)OCCC(C)C)\NC(=O)c1ccc(cc1)OC

STK997923
Synonyms: tert-butyl4-(3-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Smiles: O=C1NC(=C(C(N1)c1cccc(c1)Cl)C(=O)OC(C)(C)C)C

STK997930
Synonyms: 8-{[2-(diethylamino)ethyl]amino}-3-methyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(CCNc1nc2c(n1CC(C)C)c(=O)[nH]c(=O)n2C)CC

STK998028
Synonyms: 5-benzyl-6-(3-chlorophenyl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
Smiles: Clc1cccc(c1)C1N(Cc2ccccc2)c2ccccc2c2n1c1ccccc1n2

STK998065
Synonyms: 2,2'-{benzene-1,4-diylbis[methanediyl(2,4-dioxo-1,3-thiazolidine-3,5-diyl)(phenylimino)]}diacetamide(non-preferredname)
Smiles: NC(=O)CN(C1SC(=O)N(C1=O)Cc1ccc(cc1)CN1C(=O)SC(C1=O)N(c1ccccc1)CC(=O)N)c1ccccc1

STK998108
Synonyms: (2E)-N-benzyl-2-cyano-3-{2,5-dimethyl-1-[3-nitro-4-(piperidin-1-yl)phenyl]-1H-pyrrol-3-yl}prop-2-enamide
Smiles: N#C/C(=C\c1cc(n(c1C)c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1)C)/C(=O)NCc1ccccc1

STK998142
Synonyms: N-(3-methoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc2c(s1)cc(cc2)[N+](=O)[O-]

STK998180
Synonyms: 3-amino-6-(4-fluorophenyl)-N-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1sc2c(c1N)ccc(n2)c1ccc(cc1)F

STK998267
Synonyms: 5-(3-bromophenyl)-3-hydroxy-4-{[4-(propan-2-yloxy)phenyl]carbonyl}-1-(1,3-thiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CC(Oc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1cccc(c1)Br)c1nccs1)C

STK998349
Synonyms: 1-[(4-ethylphenyl)amino]-3-(propan-2-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1ccc(cc1)Nc1cc(C(C)C)c(c2n1c1ccccc1n2)C#N

STK998358
Synonyms: 5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-4-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1c(OC)cccc1C1N(CCN(C)C)C(=O)C(=C1C(=O)c1cnn(c1C)c1ccccc1)O

STK998387
Synonyms: 8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)NC(=O)c1cccc(c1)C

STK998398
Synonyms: tert-butyl4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Smiles: O=C1NC(=C(C(N1)c1ccc(cc1)Cl)C(=O)OC(C)(C)C)C

STK998421
Synonyms: N-{4-[3-hydroxy-2-oxo-5-phenyl-4-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(c2ccccc2)C(=C(C1=O)O)C(=O)c1ccccc1

STK998460
Synonyms: 1-[4-(3,4-dichlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]butan-1-one
Smiles: CCCC(=O)c1c(c2ccccc2)c2c3n1cc(n3CCCC2)c1ccc(c(c1)Cl)Cl

STK998515
Synonyms: 2-[(4-hydroxy-3-methoxybenzyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
Smiles: N#Cc1c(NCc2ccc(c(c2)OC)O)sc2c1CCCCCCCCCC2

STK998599
Synonyms: 7-(4-methylphenyl)-3-phenyl-4H,6H-pyrrolo[3',4':4,5][1,3]thiazolo[2,3-c][1,2,4]triazine-4,6,8(7H)-trione
Smiles: Cc1ccc(cc1)n1c(=O)c2c(c1=O)sc1n2c(=O)c(nn1)c1ccccc1

STK998601
Synonyms: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(furan-2-ylcarbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)OC)C(=C(C1=O)O)C(=O)c1ccco1

STK998653
Synonyms: 7,9b-dihydroxy-3a,6,7-trimethyl-3-(5-oxo-2,5-dihydrofuran-3-yl)dodecahydro-1H-cyclopenta[a]naphthalene-6-carboxylate
Smiles: O=C1OCC(=C1)C1CCC2(C1(C)CCC1C2CCC(C1(C)C(=O)[O-])(C)O)O

STK998658
Synonyms: 2-{[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)NCCc1ccccc1)c1ccc(c(c1)OC)OC

STK998698
Synonyms: (2E)-N-(4-chlorophenyl)-2-cyano-3-{2,5-dimethyl-1-[4-(morpholin-4-yl)-3-nitrophenyl]-1H-pyrrol-3-yl}prop-2-enamide
Smiles: N#C/C(=C\c1cc(n(c1C)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)C)/C(=O)Nc1ccc(cc1)Cl

STK998757
Synonyms: (2E)-2-cyano-3-(1-{2-[(furan-2-ylmethyl)amino]-2-oxoethyl}-1H-indol-3-yl)-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1cn(c2c1cccc2)CC(=O)NCc1ccco1)/C(=O)NCC1CCCO1

STK998804
Synonyms: 1-hexyl-2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-benzimidazole
Smiles: CCCCCCn1c(nc2c1cccc2)C(c1ccc(cc1)CC(C)C)C

STK998814
Synonyms: 1-[(3,5-dimethylphenyl)amino]-3-(propan-2-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(cc(n2c1nc1c2cccc1)Nc1cc(C)cc(c1)C)C(C)C

STK998827
Synonyms: ethyl4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)C(=C(C1c1ccccc1F)C(=O)c1ccccc1)O

STK998874
Synonyms: 3-(2-methoxyphenyl)-7-[(3-methylbut-2-en-1-yl)oxy]-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: COc1ccccc1c1c(=O)c2ccc(cc2oc1C(F)(F)F)OCC=C(C)C

STK998931
Synonyms: 5-(2-chlorophenyl)-4-[(4-chlorophenyl)carbonyl]-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Clc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1Cl)CCN1CCOCC1

STK998936
Synonyms: ethyl5'-[(trifluoroacetyl)amino]-2,3'-bithiophene-4'-carboxylate
Smiles: CCOC(=O)c1c(scc1c1cccs1)NC(=O)C(F)(F)F

STK999039
Synonyms: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
Smiles: Cc1onc(c1C(=O)Nc1cccc(c1)C(F)(F)F)c1c(F)cccc1Cl

STK999052
Synonyms: N-(3-chlorophenyl)-4-(4-fluorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Fc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1cccc(c1)Cl)c1ccccc1

STK999080
Synonyms: 8-[(3-ethoxypropyl)amino]-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(NCCCOCC)nc2c1c(=O)[nH]c(=O)n2C

STK999110
Synonyms: 5-(4-bromophenyl)-3-hydroxy-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1ccc(cc1)C(=O)C1=C(O)C(=O)NC1c1ccc(cc1)Br

STK999115
Synonyms: (2E)-2-cyano-N-(2-methoxyethyl)-3-(1-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1H-indol-3-yl)prop-2-enamide
Smiles: COCCNC(=O)Cn1cc(c2c1cccc2)/C=C(/C(=O)NCCOC)\C#N

STK999120
Synonyms: (2E)-3-[1-(2-chlorobenzyl)-1H-indol-3-yl]-2-cyano-N-(2-methoxyethyl)prop-2-enamide
Smiles: COCCNC(=O)/C(=C/c1cn(c2c1cccc2)Cc1ccccc1Cl)/C#N

STK999123
Synonyms: ethylN-[(2,4-dichlorophenyl)carbonyl]-3,3,3-trifluoro-2-hydroxyalaninate
Smiles: CCOC(=O)C(C(F)(F)F)(NC(=O)c1ccc(cc1Cl)Cl)O

STK999125
Synonyms: methyl[(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
Smiles: CCCCCn1c(SCC(=O)OC)nc2c1c(=O)[nH]c(=O)n2C

STK999140
Synonyms: 3-chloro-N-(3,4-dimethoxyphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: COc1cc(ccc1OC)NC(=O)c1nn2c(c1Cl)nc(cc2C(F)(F)F)c1ccccc1

STK999180
Synonyms: (2E)-2-cyano-N-cyclopropyl-3-{1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}prop-2-enamide
Smiles: N#C/C(=C\c1cn(c2c1cccc2)CCOc1ccccc1OC)/C(=O)NC1CC1

STK999302
Synonyms: 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: OCCCN1C(=O)C(=C(C1c1ccc(cc1)Br)C(=O)c1ccc(cc1)C)O

STK999627
Synonyms: 1-[(4-ethylphenyl)amino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCCc1cc(Nc2ccc(cc2)CC)n2c(c1C#N)nc1c2cccc1

STK999660
Synonyms: 3-amino-N-(2,5-dimethoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(cc1)c1ccc2c(n1)sc(c2N)C(=O)Nc1cc(OC)ccc1OC

STK999663
Synonyms: 8-[(2-hydroxyethyl)amino]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(NCCO)nc2c1c(=O)[nH]c(=O)n2C

STK999665
Synonyms: 1-[(3,5-dichlorophenyl)amino]-3-(propan-2-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(cc(n2c1nc1c2cccc1)Nc1cc(Cl)cc(c1)Cl)C(C)C

STK999670
Synonyms: 2-{[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Smiles: COc1ccc(cc1)c1ccc(c(n1)SCC(=O)NCCc1ccc(c(c1)OC)OC)C#N

STK999702
Synonyms: (2E)-3-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1cn(c2c1cccc2)CCOc1ccc(c(c1)C)Cl)/C(=O)NCC1CCCO1

STK999711
Synonyms: (2E)-1-(2-hydroxy-5-methylphenyl)-3-(4-methylphenyl)prop-2-en-1-one
Smiles: Cc1ccc(cc1)/C=C/C(=O)c1cc(C)ccc1O

STK999801
Synonyms: (5E)-5-({[2-(diethylamino)ethyl]amino}methylidene)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCN(CCN/C=C/1\C(=O)NC(=O)N(C1=O)c1cccc(c1)C(F)(F)F)CC

STK999820
Synonyms: N-(3,4-dichlorophenyl)-5,7-dinitroquinolin-8-amine
Smiles: Clc1cc(ccc1Cl)Nc1c(cc(c2c1nccc2)[N+](=O)[O-])[N+](=O)[O-]

STK999851
Synonyms: 1-[(3,4-dimethylphenyl)amino]-3-(propan-2-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(cc(n2c1nc1c2cccc1)Nc1ccc(c(c1)C)C)C(C)C

STK999953
Synonyms: 8-[(2-ethoxyethyl)sulfanyl]-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOCCSc1nc2c(n1CCC(C)C)c(=O)[nH]c(=O)n2C

STL000059
Synonyms: 7-(4-chlorobenzyl)-8-{[2-(diethylamino)ethyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(CCNc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)[nH]c(=O)n2C)CC

STL000107
Synonyms: 5-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
Smiles: COc1cc(ccc1OC)c1csc2c1c(=O)oc(n2)c1ccccc1C

STL000113
Synonyms: 1-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-(morpholin-4-yl)ethanone
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)CN1CCOCC1

STL000139
Synonyms: N-(4-acetylphenyl)-2-{[3-cyano-6-(3-methoxyphenyl)pyridin-2-yl]sulfanyl}acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)Nc1ccc(cc1)C(=O)C)c1cccc(c1)OC

STL000180
Synonyms: 1-{5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl}-3-(4-ethoxyphenyl)urea
Smiles: CCOc1ccc(cc1)NC(=O)Nc1nnc(s1)/C=C/c1ccccc1Cl

STL000200
Synonyms: (2Z)-3-benzyl-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
Smiles: COc1ccc(cc1)/N=C/1\SC(CC(=O)N1Cc1ccccc1)C(=O)N

STL000229
Synonyms: ethyl5'-({(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)-2,3'-bithiophene-4'-carboxylate
Smiles: CCOC(=O)c1c(N/C=C\2/N=C(OC2=O)c2ccc(cc2)C)scc1c1cccs1

STL000250
Synonyms: 1-[4-(benzyloxy)but-2-yn-1-yl]-4-(diphenylmethyl)piperazine
Smiles: C(#CCN1CCN(CC1)C(c1ccccc1)c1ccccc1)COCc1ccccc1

STL000315
Synonyms: N-{2-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]ethyl}acetamide
Smiles: CC(=O)NCCN1C(=O)C(=C(C1c1ccccc1F)C(=O)c1ccccc1)O

STL000319
Synonyms: 1-(4-ethoxyphenyl)-3-(5-{[(3-methylbenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)urea
Smiles: CCOc1ccc(cc1)NC(=O)Nc1nnc(s1)CSCc1cccc(c1)C

STL000343
Synonyms: 2-(1H-benzotriazol-1-yl)-3-[(4-methylphenyl)amino]naphthalene-1,4-dione
Smiles: Cc1ccc(cc1)NC1=C(C(=O)c2c(C1=O)cccc2)n1nnc2c1cccc2

STL000353
Synonyms: 3-amino-6-(4-bromophenyl)-N-cyclopropyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: Brc1ccc(cc1)c1nc2sc(c(c2c(c1)C(F)(F)F)N)C(=O)NC1CC1

STL000421
Synonyms: ethyl4-({4-[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CCCSc1[nH]c(=O)c2c(n1)sc1c2CCC1

STL000430
Synonyms: 7-(2-ethoxyethyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOCCn1c(SCCC)nc2c1c(=O)[nH]c(=O)n2C

STL000461
Synonyms: methyl(2E)-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl][2-(4-methylphenyl)hydrazinylidene]ethanoate
Smiles: COC(=O)/C(=N\Nc1ccc(cc1)C)/Sc1nnc(n1c1ccccc1)c1ccccc1

STL000514
Synonyms: 2-(5-bromo-2,4-dimethoxyphenyl)-1H-phenanthro[9,10-d]imidazole
Smiles: COc1cc(OC)c(cc1c1nc2c([nH]1)c1ccccc1c1c2cccc1)Br

STL000522
Synonyms: 3-amino-6-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1ccc2c(c1)OCO2)Nc1ccc(cc1)C(F)(F)F

STL000531
Synonyms: (7E)-7-(furan-2-ylmethylidene)-3-(3-nitrophenyl)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole
Smiles: [O-][N+](=O)c1cccc(c1)C1C2CCC/C(=C\c3ccco3)/C2=NN1c1ccccc1

STL000625
Synonyms: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N1CCN(CC1)c1ccc(cc1)Cl)c1ccccc1n2

STL000637
Synonyms: 3-(propan-2-yl)-1-{[4-(propan-2-yl)phenyl]amino}pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(cc(n2c1nc1c2cccc1)Nc1ccc(cc1)C(C)C)C(C)C

STL000686
Synonyms: 2-amino-4-(2-methoxynaphthalen-1-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1c1c(OC)ccc3c1cccc3)C(=O)CC(C2)(C)C

STL000702
Synonyms: (2E)-3-(4-methylphenyl)-N-[(4-methylpiperazin-1-yl)carbonothioyl]prop-2-enamide
Smiles: CN1CCN(CC1)C(=S)NC(=O)/C=C/c1ccc(cc1)C

STL000727
Synonyms: 6,7-bis(4-fluorophenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Fc1ccc(cc1)C1Oc2ccccc2C2=C1C(c1ccc(cc1)F)n1c(N2)ncn1

STL000735
Synonyms: methyl1-(4-chlorophenyl)-5-(2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccccc1OC)c1ccc(cc1)Cl

STL000757
Synonyms: (5E)-1-(3,5-dichlorophenyl)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: Cc1[nH]c(c(c1)/C=C/1\C(=O)NC(=S)N(C1=O)c1cc(Cl)cc(c1)Cl)C

STL000763
Synonyms: N-(3-chloro-4-methylphenyl)-6-methoxy-2-oxo-2H-chromene-3-carboxamide
Smiles: COc1ccc2c(c1)cc(c(=O)o2)C(=O)Nc1ccc(c(c1)Cl)C

STL000826
Synonyms: 3-amino-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cc(ccc1OC)c1nc2sc(c(c2c(c1)C(F)(F)F)N)C(=O)N

STL000827
Synonyms: N'-[(E)-(3-fluorophenyl)methylidene]-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbohydrazide
Smiles: Fc1cccc(c1)/C=N/NC(=O)c1c(=O)[nH]c2c(c1O)CCCC2

STL000830
Synonyms: N-(4-bromophenyl)-2-[(4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
Smiles: O=C(Nc1ccc(cc1)Br)COc1ccc2c(c1C)oc(=O)cc2C

STL000851
Synonyms: 3-amino-6-(3-methoxyphenyl)-N-(2-phenoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)Nc1ccccc1Oc1ccccc1

STL000917
Synonyms: 1-(4-chlorophenyl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Clc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccccc1)cc3c1ccccc1

STL000920
Synonyms: 5-cyano-6-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-N-(4-fluorophenyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: CCN(C(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccc(cc1)F)c1ccco1)CC

STL000931
Synonyms: 3-(2-chloro-6-fluorophenyl)-N-(3,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Smiles: Cc1onc(c1C(=O)Nc1ccc(c(c1)F)F)c1c(F)cccc1Cl

STL000953
Synonyms: 7-(2-ethoxyethyl)-3-methyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOCCn1c(SC)nc2c1c(=O)[nH]c(=O)n2C

STL000965
Synonyms: 8-bromo-3-methyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)n(c2c1n(C(C)C)c(n2)Br)C

STL001044
Synonyms: 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccc(cc1)Cl)N/N=C/c1ccc(cc1O)O

STL001083
Synonyms: N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide
Smiles: COc1ccc(cc1)N(C(=O)c1cccnc1)Cc1cc2ccc(cc2nc1O)C

STL001117
Synonyms: 3-amino-N-(2,5-dichlorophenyl)-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cc(ccc1OC)c1ccc2c(n1)sc(c2N)C(=O)Nc1cc(Cl)ccc1Cl

STL001120
Synonyms: N-{4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(=O)C(=C(C1c1ccccc1F)C(=O)c1ccccc1)O

STL001246
Synonyms: 2-chlorobenzyldiphenylacetate
Smiles: O=C(C(c1ccccc1)c1ccccc1)OCc1ccccc1Cl

STL001258
Synonyms: N-(2-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
Smiles: Fc1ccccc1Nc1ncnc2c1c(C)c(s2)C

STL001297
Synonyms: 3-amino-4-formyl-2-[6-methyl-2-oxo-3-(propan-2-yl)cyclohexyl]cyclopent-3-ene-1,1,2-tricarbonitrile
Smiles: O=CC1=C(N)C(C(C1)(C#N)C#N)(C#N)C1C(C)CCC(C1=O)C(C)C

STL001366
Synonyms: N-{4-[3-hydroxy-5-(4-methoxyphenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetamide
Smiles: COc1ccc(cc1)C1N(c2ccc(cc2)NC(=O)C)C(=O)C(=C1C(=O)c1ccccc1)O

STL001418
Synonyms: 8-(benzylsulfanyl)-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

STL001535
Synonyms: 1-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
Smiles: CCOc1cc2c(cc1OCC)CCN(C2Cc1ccc(c(c1)OCC)OCC)C(=O)CN1CCN(CC1)c1ccc(cc1)F

STL001541
Synonyms: 4-(3-bromo-4-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Smiles: COc1ccc(cc1Br)C1NC(=S)NC(=C1C(=O)N)C

STL001625
Synonyms: 4-[(4-bromophenyl)carbonyl]-5-(3-fluorophenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Fc1cccc(c1)C1N(CCN2CCOCC2)C(=O)C(=C1C(=O)c1ccc(cc1)Br)O

STL001641
Synonyms: 2-(3-bromo-4-methoxyphenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
Smiles: COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(c(c1)Br)OC

STL001704
Synonyms: 4-[(2-hydroxyphenyl)amino]-3-nitro-2H-chromen-2-one
Smiles: Oc1ccccc1Nc1c2ccccc2oc(=O)c1[N+](=O)[O-]

STL001723
Synonyms: tert-butyl4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Smiles: O=C1NC(=C(C(N1)c1ccccc1Cl)C(=O)OC(C)(C)C)C

STL001730
Synonyms: 2-{(E)-[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl}phenol
Smiles: Oc1ccccc1/C=N/Nc1ncnc2c1c1CCCCc1s2

STL001759
Synonyms: 5-[4-(dimethylamino)phenyl]-3-hydroxy-1-(3-hydroxypropyl)-4-[(4-methoxyphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: OCCCN1C(=O)C(=C(C1c1ccc(cc1)N(C)C)C(=O)c1ccc(cc1)OC)O

STL001765
Synonyms: N'-[(E)-(3-hydroxyphenyl)methylidene]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
Smiles: Oc1cccc(c1)/C=N/NC(=O)c1nn2c(n1)nc(cc2C)C

STL001783
Synonyms: (2alpha,3beta,8xi,9xi,14xi,17beta)-2-methylandrostane-3,17-diyldibenzoate
Smiles: C[C@@H]1C[C@@]2(C)C(C[C@H]1OC(=O)c1ccccc1)CCC1C2CC[C@]2(C1CC[C@@H]2OC(=O)c1ccccc1)C

STL001786
Synonyms: 1H-imidazole-4,5-dicarbonitrile
Smiles: N#Cc1[nH]cnc1C#N

STL001828
Synonyms: N-[(2Z)-3-(2-iodophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide
Smiles: CCC(=O)/N=C/1\SC2C(N1c1ccccc1I)CS(=O)(=O)C2

STL001843
Synonyms: 8-(ethylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCNc1nc2c(n1CCOc1ccccc1)c(=O)[nH]c(=O)n2C

STL001865
Synonyms: 2-(3-{(Z)-[1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)-N-(2-methoxyethyl)acetamide
Smiles: COCCNC(=O)Cn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccco1

STL002016
Synonyms: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCSc1nc2c(n1CC(COc1ccc(cc1)Cl)O)c(=O)[nH]c(=O)n2C

STL002062
Synonyms: 1-(benzyloxy)-4-[(E)-2-chloro-1,2-diphenylethenyl]benzene
Smiles: Cl/C(=C(\c1ccccc1)/c1ccc(cc1)OCc1ccccc1)/c1ccccc1

STL002120
Synonyms: 2-[(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Smiles: CCc1nc(SCC(=O)Nc2ccc(cc2)C)c2c(n1)c1ccccc1o2

STL002129
Synonyms: 2,3-dihydro-1H-inden-2-yl{[formyl(methyl)amino]methyl}phosphinate
Smiles: O=CN(CP(=O)(C1Cc2c(C1)cccc2)[O-])C

STL002154
Synonyms: 5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
Smiles: COc1ccc(cc1)c1oc(=O)c2c(n1)scc2c1ccc(c(c1)OC)OC

STL002408
Synonyms: 10,10-dichloro-N-[3-(trifluoromethyl)phenyl]tricyclo[7.1.0.0~4,6~]decane-5-carboxamide
Smiles: O=C(C1C2C1CCC1C(CC2)C1(Cl)Cl)Nc1cccc(c1)C(F)(F)F

STL002464
Synonyms: 2-{4-[(1E)-1-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]phenoxy}acetamide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(cc1)OCC(=O)N)\C

STL002486
Synonyms: 8-(butylsulfanyl)-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCSc1nc2c(n1CC(COc1ccc(cc1)Cl)O)c(=O)[nH]c(=O)n2C

STL002508
Synonyms: 3-methyl-7-(2-phenoxyethyl)-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCNc1nc2c(n1CCOc1ccccc1)c(=O)[nH]c(=O)n2C

STL002517
Synonyms: 8-(benzylamino)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

STL002558
Synonyms: N-(2-{2-[(Z)-(4,6-dioxo-1-phenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-indol-3-yl}ethyl)acetamide
Smiles: CC(=O)NCCc1c(/C=C\2/C(=O)NC(=S)N(C2=O)c2ccccc2)[nH]c2c1cccc2

STL002594
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-3,4-dihydronaphthalen-1(2H)-ylidene]-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/1\CCCc2c1cccc2

STL002652
Synonyms: 2-[(4-hydroxy-6-phenylpyrimidin-2-yl)sulfanyl]-N-(2-phenoxyphenyl)acetamide
Smiles: O=C(Nc1ccccc1Oc1ccccc1)CSc1nc(O)cc(n1)c1ccccc1

STL002657
Synonyms: N-[3-(1H-benzimidazol-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
Smiles: COc1ccccc1N(S(=O)(=O)c1ccc(cc1)C)CC(Cn1cnc2c1cccc2)O

STL002679
Synonyms: tert-butyl[(1S)-1-{5-[(2-chloro-6-fluorobenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}-3-methylbutyl]carbamate
Smiles: CC(C[C@@H](c1nnc(o1)S(=O)(=O)Cc1c(F)cccc1Cl)NC(=O)OC(C)(C)C)C

STL002715
Synonyms: 3-methyl-7-(prop-2-en-1-yl)-8-(pyrimidin-2-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(Sc2ncccn2)nc2c1c(=O)[nH]c(=O)n2C

STL002717
Synonyms: 3-(2-fluorobenzyl)-9-(4-methoxyphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: COc1ccc(cc1)N1CC(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1F

STL002737
Synonyms: [3-amino-6-cyclopropyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](1,3-benzodioxol-5-yl)methanone
Smiles: O=C(c1sc2c(c1N)c(cc(n2)C1CC1)C(F)(F)F)c1ccc2c(c1)OCO2

STL002751
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(2E)-4-phenylbutan-2-ylidene]-5-propyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCc1c(nnn1c1nonc1N)C(=O)N/N=C(/CCc1ccccc1)\C

STL002758
Synonyms: 2-methoxy-6-(4-methoxyphenyl)-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
Smiles: COc1nc(ccc1c1noc(n1)c1ccccc1C)c1ccc(cc1)OC

STL002813
Synonyms: (2beta,3beta,5beta,6E,9xi,17xi)-6-(hydroxyimino)cholest-7-ene-2,3,14,20,22,25-hexol
Smiles: O/N=C/1\C=C2C([C@@]3([C@H]1C[C@@H](O)[C@H](C3)O)C)CC[C@]1([C@@]2(O)CCC1[C@](C(CCC(O)(C)C)O)(O)C)C

STL002816
Synonyms: 3-{3-[(4-chlorophenyl)carbonyl]-2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}propanoicacid
Smiles: COc1ccc(cc1C1N(CCC(=O)O)C(=O)C(=C1C(=O)c1ccc(cc1)Cl)O)OC

STL002850
Synonyms: methyl(5Z)-5-{[(2-hydroxyphenyl)amino]methylidene}-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)/C(=C\Nc2ccccc2O)/C(=O)CC1(C)C

STL002889
Synonyms: 8-(cyclohexylamino)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C

STL002937
Synonyms: 4-acetyl-1-(2-bromoethyl)-3-hydroxy-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: BrCCN1C(c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)C

STL002955
Synonyms: (3aR,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl2-bromobutanoate
Smiles: CCC(C(=O)O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1[C@H](C)C(=O)O3)C(=CC2=O)C)C)Br

STL002975
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{2-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1C(C)C)c1nonc1N)N/N=C/c1ccccc1OCc1c(F)cccc1Cl

STL003009
Synonyms: tert-butyl[(1S)-1-{5-[(2-chlorobenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}-2-phenylethyl]carbamate
Smiles: O=C(OC(C)(C)C)N[C@H](c1nnc(o1)S(=O)(=O)Cc1ccccc1Cl)Cc1ccccc1

STL003011
Synonyms: 7-butyl-3-methyl-8-[(4-methylbenzyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCn1c(NCc2ccc(cc2)C)nc2c1c(=O)[nH]c(=O)n2C

STL003028
Synonyms: 8-[(2-aminoethyl)amino]-7-(4-bromobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: NCCNc1nc2c(n1Cc1ccc(cc1)Br)c(=O)n(c(=O)n2C)C

STL003082
Synonyms: 2-methoxy-6-(3-methoxyphenyl)-3-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]pyridine
Smiles: COc1nc(ccc1c1noc(n1)c1ccncc1)c1cccc(c1)OC

STL003089
Synonyms: (2E)-2-cyano-3-{2,5-dimethyl-1-[4-(morpholin-4-yl)-3-nitrophenyl]-1H-pyrrol-3-yl}-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(n(c1C)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)C)/C(=O)NCC1CCCO1

STL003132
Synonyms: 7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(NCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C)COC(C)C

STL003168
Synonyms: (8xi,14xi,17alpha)-3-{[2,6-dideoxy-3,4-O-(1-methylpropylidene)hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide
Smiles: O=C[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)OC1OC(C)C2C(C1)OC(O2)(C)CC

STL003203
Synonyms: 2-ethoxy-3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-6-phenylpyridine
Smiles: CCOc1nc(ccc1c1noc(n1)c1ccccc1OC)c1ccccc1

STL003229
Synonyms: 1-(2-chlorobenzyl)-3,7-dimethyl-8-(pentylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1Cl

STL003246
Synonyms: N-(diphenylmethyl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CSc1nc2c(n1C)c(=O)n(c(=O)n2C)C

STL003273
Synonyms: 9-(4-methoxyphenyl)-1,7-dimethyl-3-(2-methylpropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: COc1ccc(cc1)N1CC(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)CC(C)C

STL003294
Synonyms: N-[(2Z)-3-(2-iodophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide
Smiles: CC(=O)/N=C/1\SC2C(N1c1ccccc1I)CS(=O)(=O)C2

STL003350
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)N/N=C/c1cccc(c1)Oc1ccccc1

STL003367
Synonyms: 8-[(3-hydroxypropyl)sulfanyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCCSc1nc2c(n1Cc1cccc3c1cccc3)c(=O)n(c(=O)n2C)C

STL003372
Synonyms: 7-benzyl-8-[(furan-2-ylmethyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)n(c2c1n(Cc1ccccc1)c(n2)NCc1ccco1)C

STL003377
Synonyms: 2,2'-[propane-1,3-diylbis(oxybenzene-4,1-diyl)]dibutanedioicacid
Smiles: OC(=O)C(c1ccc(cc1)OCCCOc1ccc(cc1)C(C(=O)O)CC(=O)O)CC(=O)O

STL003421
Synonyms: 3-methyl-8-(methylamino)-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CNc1nc2c(n1CCOc1ccccc1)c(=O)[nH]c(=O)n2C

STL003433
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dichlorophenyl)-N'-[(1E)-1-(naphthalen-1-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1c1ccc(c(c1)Cl)Cl)c1nonc1N)N/N=C(/c1cccc2c1cccc2)\C

STL003459
Synonyms: 6-(2-bromophenyl)-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Brc1ccccc1C1=Nn2c(SC1)nnc2c1n[nH]c2c1CCC2

STL003488
Synonyms: 2-[9-(3-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide
Smiles: COc1cccc(c1)N1CC(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)CC(=O)N

STL003587
Synonyms: 2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc(C)nc2c1oc1c2cccc1

STL003620
Synonyms: N'-[(3Z)-1-acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Nc1nonc1n1nnc(c1CSc1ccccc1)C(=O)N/N=C\1/c2ccccc2N(C1=O)C(=O)C

STL003669
Synonyms: 7-(2-fluorobenzyl)-1,3-dimethyl-8-(pentylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCNc1nc2c(n1Cc1ccccc1F)c(=O)n(c(=O)n2C)C

STL003678
Synonyms: 6-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: COc1ccc(cc1)c1n(cc2c1c(=O)n(C)c(=O)n2C)c1cc(C)ccc1C

STL003679
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene]-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccc(c1)OCc1c(F)cccc1Cl)C

STL003696
Synonyms: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[(3-methylbutyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl

STL003704
Synonyms: 2-methoxy-6-(4-methylphenyl)-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
Smiles: COc1nc(ccc1c1noc(n1)c1ccccc1C)c1ccc(cc1)C

STL003745
Synonyms: 2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(2-chloro-6-fluorobenzylidene)hydrazinyl]carbonyl}-1H-1,2,3-triazol-5-yl]methyl}amino)benzamide
Smiles: O=C(c1nnn(c1CNc1ccccc1C(=O)N)c1nonc1N)N/N=C/c1c(F)cccc1Cl

STL003806
Synonyms: (5E)-1-(3,5-dimethylphenyl)-5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COCCn1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)c1cc(C)cc(c1)C

STL003827
Synonyms: 7-(3,4-dichlorobenzyl)-8-(2,6-dimethylmorpholin-4-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1OC(C)CN(C1)c1nc2c(n1Cc1ccc(c(c1)Cl)Cl)c(=O)n(c(=O)n2C)C

STL003830
Synonyms: N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
Smiles: CCC(C(=O)Nc1nnc(s1)COc1ccccc1)c1ccccc1

STL003833
Synonyms: ethyl2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c2CCCCc2sc1n1c(C)ccc1C

STL003836
Synonyms: 7-(3-bromobenzyl)-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CNc1nc2c(n1Cc1cccc(c1)Br)c(=O)[nH]c(=O)n2C

STL003839
Synonyms: 2-{[(4-chlorophenyl)carbonyl]amino}pentanedioate
Smiles: O=C(c1ccc(cc1)Cl)NC(C(=O)[O-])CCC(=O)[O-]

STL003846
Synonyms: N-[({[(3E,9xi,14xi,17beta)-17-hydroxy-17-methylandrost-4-en-3-ylidene]amino}oxy)acetyl]valine
Smiles: O=C(NC(C(=O)O)C(C)C)CO/N=C/1\CC[C@]2(C(=C1)CC[C@@H]1C2CC[C@]2(C1CC[C@]2(C)O)C)C

STL003849
Synonyms: 2-(acetylamino)-3-[(6-methoxy-2-methylquinolin-4-yl)sulfanyl]propanoate
Smiles: COc1ccc2c(c1)c(SCC(C(=O)[O-])NC(=O)C)cc(n2)C

STL003858
Synonyms: 2-methoxy-6-(4-methoxyphenyl)-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
Smiles: COc1nc(ccc1c1noc(n1)c1ccc(cc1)C)c1ccc(cc1)OC

STL003867
Synonyms: ethyl2-[(3-methoxy-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanoate
Smiles: CCOC(=O)C(Sc1nc2ccccc2c(=O)n1OC)C

STL003897
Synonyms: 2-(2-chlorophenyl)-1-oxo-3-(prop-2-en-1-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylicacid
Smiles: C=CCC1N(C(=O)C2C31C=CC(O3)C2C(=O)O)c1ccccc1Cl

STL003915
Synonyms: 7-(4-chlorobenzyl)-1,3-dimethyl-8-(pyrimidin-2-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(Sc2ncccn2)nc2c1c(=O)n(C)c(=O)n2C

STL003953
Synonyms: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(propan-2-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1C

STL004027
Synonyms: methyl2-({[(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate
Smiles: CCc1nc(SCC(=O)Nc2ccccc2C(=O)OC)c2c(n1)c1ccccc1o2

STL004038
Synonyms: (9xi,14xi)-17-(acetyloxy)-6-methyl-20-oxopregna-4,6-dien-3-yl3-(piperidin-1-yl)propanoate
Smiles: O=C(OC1CC[C@]2(C(=C1)C(=C[C@@H]1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)C)C)C)C)CCN1CCCCC1

STL004046
Synonyms: 7-(2-ethoxyethyl)-8-[(3-methoxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCCNc1nc2c(n1CCOCC)c(=O)[nH]c(=O)n2C

STL004151
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Nc1nonc1n1nnc(c1CSc1ccccc1)C(=O)N/N=C/1\C(=O)Nc2c1cccc2

STL004167
Synonyms: 2'-(2-chlorophenyl)-1,9'-dimethyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccccc1Cl)C

STL004200
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)piperidinium
Smiles: O=S1(=O)CCC(C1)[NH+]1CCCCC1

STL004225
Synonyms: 2-ethoxy-6-phenyl-3-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
Smiles: CCOc1nc(ccc1c1noc(n1)c1cc(OC)c(c(c1)OC)OC)c1ccccc1

STL004227
Synonyms: 7-butyl-3-methyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCn1c(NCC=C)nc2c1c(=O)[nH]c(=O)n2C

STL004238
Synonyms: 8-[benzyl(methyl)amino]-1-(2-chlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)N(Cc1ccccc1)C

STL004246
Synonyms: 7-(3-chlorobenzyl)-1,3-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCNc1nc2c(n1Cc1cccc(c1)Cl)c(=O)n(c(=O)n2C)C)C

STL004280
Synonyms: 5-(4-fluorobenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol
Smiles: Fc1ccc(cc1)Cc1c(C)nc(nc1O)S

STL004314
Synonyms: ethyl3-[(N,N-dimethylglycyl)amino]-5-methyl-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN(C)C)cc(cc2)C

STL004363
Synonyms: 4-[5-(benzylsulfanyl)-1H-tetrazol-1-yl]benzamide
Smiles: NC(=O)c1ccc(cc1)n1nnnc1SCc1ccccc1

STL004399
Synonyms: (12bS)-7-(2-chlorophenyl)-2-(2-hydroxy-2-phenylethyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: OC(c1ccccc1)CN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccccc1Cl)cccc3

STL004409
Synonyms: 8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)n(c2c1n(c(n2)NCCCn1cncc1)C(c1ccccc1)C)C

STL004427
Synonyms: 4-[4-(morpholin-4-yl)-3-nitrophenyl]phthalazin-1(2H)-one
Smiles: [O-][N+](=O)c1cc(ccc1N1CCOCC1)c1n[nH]c(=O)c2c1cccc2

STL004517
Synonyms: 3-methyl-7-(naphthalen-1-ylmethyl)-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCNc1nc2c(n1Cc1cccc3c1cccc3)c(=O)[nH]c(=O)n2C

STL004560
Synonyms: 8-(butylamino)-7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCNc1nc2c(n1CC(COC(C)C)O)c(=O)[nH]c(=O)n2C

STL004575
Synonyms: 2-{[7-(3-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2c(n1Cc1cccc(c1)Cl)c(=O)[nH]c(=O)n2C

STL004611
Synonyms: 6-butyl-5-(4-tert-butylphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: CCCCn1cc2c(c1c1ccc(cc1)C(C)(C)C)c(=O)n(c(=O)n2C)C

STL004627
Synonyms: (12aS)-6-(3-chlorophenyl)-2-[3-(propan-2-yloxy)propyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CC(OCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)Cl)[nH]c2c1cccc2)C

STL004644
Synonyms: N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(c(c2)OC)OC)nc2c(c1=O)cccc2

STL004650
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-[(E)-(2-methoxynaphthalen-1-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1c(OC)ccc2c1cccc2

STL004680
Synonyms: 8-[(3-ethoxypropyl)amino]-1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1)F

STL004693
Synonyms: ethyl{[3-(4-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate
Smiles: CCOC(=O)COc1ccc2c(c1)oc(c(c2=O)Oc1ccc(cc1)Br)C

STL004710
Synonyms: (5Z)-2-(4-benzylpiperazin-1-yl)-5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1c[nH]nc1c1ccccc1)N1CCN(CC1)Cc1ccccc1

STL004758
Synonyms: 7-butyl-8-[(2-chlorobenzyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C

STL004764
Synonyms: 7-(3,4-dichlorobenzyl)-8-{[2-(1H-indol-3-yl)ethyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1Cl)Cn1c(NCCc2c[nH]c3c2cccc3)nc2c1c(=O)n(c(=O)n2C)C

STL004833
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N'-[(E)-(2,6-dichlorophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Clc1cccc(c1/C=N/NC(=O)c1nnn(c1c1ccccc1Cl)c1nonc1N)Cl

STL004853
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-biphenyl-4-ylmethylidene]-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)c1ccccc1

STL004916
Synonyms: ethyl4-{[7-(benzyloxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1ccccc1

STL004957
Synonyms: N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
Smiles: O=C(c1ccccc1)Nc1cccc(c1)c1cn2c(n1)c(C)ccc2

STL004997
Synonyms: 5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: S=C1N(C)C(=O)C(=Cc2cc([nH]c2C)C)C(=O)N1C

STL004998
Synonyms: 8-[(2-hydroxyethyl)amino]-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCNc1nc2c(n1CCOc1ccccc1)c(=O)[nH]c(=O)n2C

STL005069
Synonyms: dimethyl8-methyl-1-(4-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Smiles: COC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)C(=O)OC)c1ccc(cc1)C

STL005082
Synonyms: 4-{[(2Z)-3-(2-iodophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)/N=C/1\SC2C(N1c1ccccc1I)CS(=O)(=O)C2

STL005109
Synonyms: N-[5-(2-bromophenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
Smiles: COc1cc(ccc1OC)C(=O)Nc1nnc(s1)c1ccccc1Br

STL005117
Synonyms: 1-butyl-N-(naphthalen-1-ylmethyl)-1H-benzimidazol-2-amine
Smiles: CCCCn1c(NCc2cccc3c2cccc3)nc2c1cccc2

STL005125
Synonyms: N-carbamimidoyl-4-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzenesulfonamide
Smiles: ClC1=CCC2C(C1)C(=O)N(C2=O)c1ccc(cc1)S(=O)(=O)NC(=N)N

STL005186
Synonyms: N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-cyclohexylpropanamide
Smiles: O=C(NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)Cc1ccccc1)C(F)(F)F)CCC1CCCCC1

STL005210
Synonyms: 3-benzyl-9-(4-ethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1

STL005240
Synonyms: 4-[(1-{[(3-carboxypropanoyl)oxy]methyl}-1,4a-dimethyl-6-methylidene-5-[(E)-2-(2-oxo-2,5-dihydrofuran-3-yl)ethenyl]decahydronaphthalen-2-yl)oxy]-4-oxobutanoate
Smiles: [O-]C(=O)CCC(=O)OC1CCC2(C(C1(C)COC(=O)CCC(=O)O)CCC(=C)C2/C=C/C1=CCOC1=O)C

STL005263
Synonyms: (4Z)-7,7-dimethyl-1-(2-methylphenyl)-4-(phenylimino)-8-oxa-1,3-diazaspiro[4.5]decane-2-thione
Smiles: Cc1ccccc1N1C(=S)N/C(=N\c2ccccc2)/C21CCOC(C2)(C)C

STL005264
Synonyms: 4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-methylpiperidine
Smiles: CN1CCC(CC1)c1scc(n1)c1cccc(c1)Br

STL005274
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,5-difluorophenyl)methylidene]-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1cc(F)ccc1F

STL005279
Synonyms: 2-{[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(3,4-dimethoxybenzyl)acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)NCc1ccc(c(c1)OC)OC)c1ccc2c(c1)OCO2

STL005287
Synonyms: ethyl[4-(7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetate
Smiles: CCOC(=O)CN1CCN(CC1)c1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C

STL005289
Synonyms: N-(4-chlorophenyl)-5,7-dinitroquinolin-8-amine
Smiles: Clc1ccc(cc1)Nc1c(cc(c2c1nccc2)[N+](=O)[O-])[N+](=O)[O-]

STL005326
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-2,3-dihydro-1H-inden-1-ylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1ccc(cc1)SCc1c(nnn1c1nonc1N)C(=O)N/N=C/1\CCc2c1cccc2

STL005345
Synonyms: 8-(dimethylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN(c1nc2c(n1CCOc1ccccc1)c(=O)[nH]c(=O)n2C)C

STL005368
Synonyms: 8-[benzyl(methyl)amino]-7-(2,6-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1cccc(c1Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N(Cc1ccccc1)C)Cl

STL005444
Synonyms: N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-2-(2-methyl-1H-imidazol-1-yl)acetohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)Cn1ccnc1C)OC

STL005456
Synonyms: 3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-(3-methoxyphenyl)pyridine
Smiles: COc1cccc(c1)c1ccc(c(n1)OC)c1noc(n1)c1ccc(cc1)Cl

STL005473
Synonyms: 3,4,5-triethoxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
Smiles: CCOc1cc(cc(c1OCC)OCC)C(=O)Nc1nnc(s1)c1ccc(cc1)C

STL005481
Synonyms: 7-(3,4-dichlorobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOCCCNc1nc2c(n1Cc1ccc(c(c1)Cl)Cl)c(=O)n(c(=O)n2C)C

STL005487
Synonyms: (5E)-1-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CN1CCC(CC1)c1ccc(cc1)N/C=C/1\C(=O)NC(=S)N(C1=O)C

STL005495
Synonyms: 6-(4-chlorophenyl)-2-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyridine
Smiles: COc1nc(ccc1c1noc(n1)c1ccccc1)c1ccc(cc1)Cl

STL005496
Synonyms: N-(3,5-dimethylphenyl)-2-(quinoxalin-5-yl)imidazo[1,2-a]pyridin-3-amine
Smiles: Cc1cc(cc(c1)C)Nc1n2ccccc2nc1c1cccc2c1nccn2

STL005528
Synonyms: 4-[(5Z)-5-(2,4-dimethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]butanoicacid
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=O)N(C1=O)CCCC(=O)O

STL005545
Synonyms: (5Z)-5-{[(2-bromophenyl)amino]methylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CN1C(=S)NC(=O)/C(=C/Nc2ccccc2Br)/C1=O

STL005559
Synonyms: (5Z)-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1c[nH]nc1c1ccccc1)N1CCN(CC1)c1ccccc1C

STL005560
Synonyms: N-[1-(2-chlorobenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-2,2-dimethylpropanamide
Smiles: O=C(C(C)(C)C)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)Cc1ccccc1Cl)C(F)(F)F

STL005569
Synonyms: 8-(2-ethoxyethoxy)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOCCOc1nc2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C

STL005652
Synonyms: 2-[(3,4-dichlorophenyl)amino]-7-(3-methylphenyl)-7,8-dihydroquinazolin-5(6H)-one
Smiles: Cc1cccc(c1)C1CC(=O)c2c(C1)nc(nc2)Nc1ccc(c(c1)Cl)Cl

STL005697
Synonyms: 6-[2-hydroxy-5-(propan-2-yl)phenyl]-5-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: COc1ccc(cc1)c1n(cc2c1c(=O)n(C)c(=O)n2C)c1cc(ccc1O)C(C)C

STL005795
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)S(=O)(=O)Cc1c(F)cccc1Cl)NC(=O)OC(C)(C)C)C

STL005815
Synonyms: 1-[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone
Smiles: CC(=O)c1sc2c(c1N)c(cc(n2)c1ccc2c(c1)OCCO2)C(F)(F)F

STL005841
Synonyms: 9-(4-ethoxyphenyl)-1,7-dimethyl-3-(prop-2-en-1-yl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: C=CCn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1ccc(cc1)OCC

STL005851
Synonyms: 8-(2-ethoxyethoxy)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOCCOc1nc2c(n1Cc1cccc3c1cccc3)c(=O)n(c(=O)n2C)C

STL005933
Synonyms: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCSc1nc2c(n1Cc1cccc3c1cccc3)c(=O)n(c(=O)n2C)C

STL005941
Synonyms: 2-ethoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-6-phenylpyridine
Smiles: CCOc1nc(ccc1c1noc(n1)c1cccc(c1)OC)c1ccccc1

STL005943
Synonyms: (5E)-1-cyclohexyl-5-[(cyclopentylamino)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: S=C1NC(=O)/C(=C\NC2CCCC2)/C(=O)N1C1CCCCC1

STL005954
Synonyms: 1,3-dimethyl-7-(4-methylbenzyl)-8-{[2-(piperidin-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(SCCN2CCCCC2)nc2c1c(=O)n(c(=O)n2C)C

STL005972
Synonyms: 2-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]pentanoicacid
Smiles: CCCC(N1C(=S)S/C(=C\c2cccnc2)/C1=O)C(=O)O

STL005989
Synonyms: (5Z)-5-(2-hydroxybenzylidene)-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccccc1O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

STL006019
Synonyms: 4-({[3-cyano-5-(3-ethoxy-3-oxopropyl)-4,6-dimethylpyridin-2-yl]sulfanyl}methyl)benzoicacid
Smiles: CCOC(=O)CCc1c(C)nc(c(c1C)C#N)SCc1ccc(cc1)C(=O)O

STL006044
Synonyms: 1-[3-amino-6-(thiophen-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one
Smiles: O=C(C(C)(C)C)c1sc2c(c1N)c(cc(n2)c1cccs1)C(F)(F)F

STL006052
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(2,5-dimethylthiophen-3-yl)ethylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1sc(c(c1)/C(=N/NC(=O)c1nnn(c1CSc1nncn1C)c1nonc1N)/C)C

STL006082
Synonyms: 9-(3,4-dimethylphenyl)-1,7-dimethyl-3-propyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCCn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1ccc(c(c1)C)C

STL006120
Synonyms: 6-(3,4-dichlorophenyl)-6-methyl-5,6-dihydrobenzimidazo[1,2-c]quinazoline
Smiles: Clc1cc(ccc1Cl)C1(C)Nc2ccccc2c2n1c1ccccc1n2

STL006234
Synonyms: 2-(2-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
Smiles: COc1ccccc1c1nnc(s1)NC(=O)COc1ccccc1Cl

STL006235
Synonyms: 1-[(3,5-dimethylphenyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(C)cc(n2c1nc1c2cccc1)Nc1cc(C)cc(c1)C

STL006256
Synonyms: 1-[(4-butylphenyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCCCc1ccc(cc1)Nc1cc(C)c(c2n1c1ccccc1n2)C#N

STL006264
Synonyms: N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenoxy)acetamide
Smiles: CCc1ccc(cc1)OCC(=O)Nc1nnc(s1)Cc1ccc(c(c1)OC)OC

STL006277
Synonyms: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N'-[(E)-(2-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)Cn1c(nc2c1cccc2)c1nonc1N

STL006300
Synonyms: 3-amino-N-(2,6-dichlorophenyl)-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1cccnc1)Nc1c(Cl)cccc1Cl

STL006342
Synonyms: 1-[(3,4-dichlorophenyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(C)cc(n2c1nc1c2cccc1)Nc1ccc(c(c1)Cl)Cl

STL006364
Synonyms: 8-[(3-hydroxypropyl)amino]-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCCNc1nc2c(n1CCOc1ccccc1)c(=O)[nH]c(=O)n2C

STL006367
Synonyms: 7-butyl-3-methyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCNc1nc2c(n1CCCC)c(=O)[nH]c(=O)n2C

STL006369
Synonyms: (3R,4S)-1,1-dioxidotetrahydrothiene-3,4-diyldiacetate
Smiles: CC(=O)O[C@@H]1CS(=O)(=O)C[C@@H]1OC(=O)C

STL006400
Synonyms: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(propan-2-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(Sc1nc2c(n1Cc1cccc3c1cccc3)c(=O)n(c(=O)n2C)C)C

STL006407
Synonyms: N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
Smiles: COc1cc(ccc1OC)C(=O)Nc1nnc(s1)c1ccc(cc1Cl)Cl

STL006456
Synonyms: (5Z)-5-[(cyclopropylamino)methylidene]-1-(2-phenylethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: S=C1NC(=O)/C(=C/NC2CC2)/C(=O)N1CCc1ccccc1

STL006472
Synonyms: 3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-(4-methoxyphenyl)pyridine
Smiles: COc1nc(ccc1c1noc(n1)c1ccccc1Cl)c1ccc(cc1)OC

STL006486
Synonyms: 7-(3-bromobenzyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCN1CCN(CC1)c1nc2c(n1Cc1cccc(c1)Br)c(=O)[nH]c(=O)n2C

STL006508
Synonyms: 1,3-dimethyl-8-(methylsulfanyl)-7-(naphthalen-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CSc1nc2c(n1Cc1cccc3c1cccc3)c(=O)n(c(=O)n2C)C

STL006558
Synonyms: 2-{[(4-methylphenyl)amino]methylidene}-5-(3,4,5-trimethoxyphenyl)cyclohexane-1,3-dione
Smiles: COc1cc(cc(c1OC)OC)C1CC(=O)/C(=C/Nc2ccc(cc2)C)/C(=O)C1

STL006562
Synonyms: (9Z)-9-benzylidene-2,3-dimethyl-5-phenyl-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: Cc1c(C)sc2=NC3=C(C(n12)c1ccccc1)CCC/C/3=C/c1ccccc1

STL006568
Synonyms: 3-amino-6-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: Fc1ccc(cc1)c1ccc2c(n1)sc(c2N)C(=O)Nc1ccc(cc1)C(F)(F)F

STL006573
Synonyms: 2-[(4-chlorophenyl)amino]-7-(4-fluorophenyl)-7,8-dihydroquinazolin-5(6H)-one
Smiles: Fc1ccc(cc1)C1CC(=O)c2c(C1)nc(nc2)Nc1ccc(cc1)Cl

STL006598
Synonyms: 8-benzyl-4-(prop-2-en-1-yl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: C=CCn1c(=O)c2c3CCN(Cc3sc2n2c1nnc2)Cc1ccccc1

STL006629
Synonyms: 3-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxy-6-(3-methoxyphenyl)pyridine
Smiles: CCOc1nc(ccc1c1noc(n1)c1cc(OC)cc(c1)OC)c1cccc(c1)OC

STL006650
Synonyms: 7-(2,4-dichlorobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOCCCNc1nc2c(n1Cc1ccc(cc1Cl)Cl)c(=O)n(c(=O)n2C)C

STL006651
Synonyms: 8-(2-methoxyethoxy)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCOc1nc2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C

STL006674
Synonyms: 3-amino-6-(3,4-dimethoxyphenyl)-N-(propan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cc(ccc1OC)c1ccc2c(n1)sc(c2N)C(=O)NC(C)C

STL006680
Synonyms: 7,7-dimethyl-1-(pyridin-3-ylmethyl)-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione
Smiles: O=C1NC(C2=C(N1Cc1cccnc1)CC(CC2=O)(C)C)(C(F)(F)F)C(F)(F)F

STL006703
Synonyms: (4Z)-4-(1H-indol-3-ylmethylidene)-2-phenyl-1,3-oxazol-5(4H)-one3-oxide
Smiles: O=C1OC(=[N+](/C/1=C\c1c[nH]c2c1cccc2)[O-])c1ccccc1

STL006779
Synonyms: 6-(2-hydroxy-3,5-dimethylphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: COc1ccc(cc1)c1n(cc2c1c(=O)n(C)c(=O)n2C)c1cc(C)cc(c1O)C

STL006814
Synonyms: 5-(3-chlorophenyl)-2-{[(4-methylphenyl)amino]methylidene}cyclohexane-1,3-dione
Smiles: Cc1ccc(cc1)N/C=C/1\C(=O)CC(CC1=O)c1cccc(c1)Cl