FULL DB

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

STK577546
Synonyms: (3aS,4R,4aS,7aR,8R,8aS)-6-benzyl-3-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: Cc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1O[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)Cc1ccccc1

STK577547
Synonyms: 1-(4-tert-butylphenyl)-7-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1noc(c1)C

STK577548
Synonyms: 1-(5-methylfuran-2-yl)-2-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1ccc(o1)C1N(c2nc3c(s2)cc(cc3)C(C)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK577549
Synonyms: 11-(4-methoxyphenyl)-3-methyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: COc1ccc(cc1)C1Nc2ccccc2N=C2C1=C(O)CC(C2)C

STK577551
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-3-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: COc1cc(OC)ccc1C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)Cc1cccnc1

STK577552
Synonyms: (4E)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK577553
Synonyms: 8-(4-chlorophenyl)-1,6,7-trimethyl-3-(2-methylprop-2-en-1-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CC(=C)Cn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)c1ccc(cc1)Cl

STK577556
Synonyms: 3-(2-methoxyethyl)-2-propyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: CCCc1nc2sc3ccccc3c(=O)c2c(=O)n1CCOC

STK577557
Synonyms: 1,3-dimethyl-7'-{[(E)-(1-methyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]amino}-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: SC1=NC(=O)/C(=C\Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C(=O)N1C

STK577558
Synonyms: 3-benzyl-2-{[2-(morpholin-4-yl)ethyl]amino}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: O=c1c2c(sc3c2CCCCC3)nc(n1Cc1ccccc1)NCCN1CCOCC1

STK577563
Synonyms: 3-{2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl}-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOCCOc1c(OC)cccc1OC

STK577564
Synonyms: 3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(2-methoxyethyl)propanamide
Smiles: COCCNC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C

STK577566
Synonyms: N-[(2Z)-3-(3,4-dichlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methylpropanamide
Smiles: O=C(C(C)C)/N=C/1\SC2C(N1c1ccc(c(c1)Cl)Cl)CS(=O)(=O)C2

STK577567
Synonyms: 2-{[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
Smiles: CCOc1ccccc1NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK577568
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2-chlorophenyl)carbonyl]-2'-{[4-(propan-2-yloxy)phenyl]carbonyl}-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CC(Oc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C

STK577570
Synonyms: 1-(3,4-dimethoxyphenyl)-2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(ccc1OC)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK577572
Synonyms: (5-bromo-1H-indol-2-yl)(2,6-dimethylmorpholin-4-yl)methanone
Smiles: CC1OC(C)CN(C1)C(=O)c1cc2c([nH]1)ccc(c2)Br

STK577573
Synonyms: N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl]-2-methoxybenzamide
Smiles: COc1cc(ccc1OC)c1c(NC(=O)c2ccccc2OC)n(C)c2c(c1=O)cccc2

STK577574
Synonyms: N-(2-fluorophenyl)-2-{[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)Nc1ccccc1F

STK577575
Synonyms: 8-(3-chlorophenyl)-3-(4-fluorobenzyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: Fc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1)Cl

STK577576
Synonyms: 9-(furan-2-yl)-6-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Cc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2ccco2)ncn3)C1)O

STK577578
Synonyms: 9-(furan-2-yl)-6-[4-(propan-2-yl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CC(c1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2ccco2)ncn3)C1)O)C

STK577579
Synonyms: (6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CSc1nn2c(=NC(=O)/C(=C/c3c(nc4n3ccs4)c3ccccc3)/C2=N)s1

STK577580
Synonyms: 5-(2-hydroxy-4,5-dimethylphenyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1cc(C)c(cc1O)C)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1

STK577581
Synonyms: (4E)-5-(2,5-dimethoxyphenyl)-4-{hydroxy[4-(2-methylpropoxy)phenyl]methylidene}-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OCC(C)C)/O)/C1c1cc(OC)ccc1OC

STK577583
Synonyms: 6-hydroxy-3-methyl-7-(2-methylpropyl)-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3,7-dihydro-2H-purin-2-one
Smiles: CC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1cccc2c1cccc2)C

STK577584
Synonyms: 4-chloro-N-[4-(3-methoxyphenyl)-6-methyl-2-(4-methylphenyl)-5-oxo-2,5-dihydropyridazin-3-yl]benzamide
Smiles: COc1cccc(c1)c1c(=O)c(C)nn(c1NC(=O)c1ccc(cc1)Cl)c1ccc(cc1)C

STK577585
Synonyms: N-(biphenyl-2-yl)-2-{[4-ethyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2c2ccccc2)nnc1Cc1cccs1

STK577586
Synonyms: 8-(4-benzylpiperazin-1-yl)-6-hydroxy-3-methyl-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-2H-purin-2-one
Smiles: O=c1nc(O)c2c(n1C)nc(n2CCSc1ncccn1)N1CCN(CC1)Cc1ccccc1

STK577588
Synonyms: 1,3-dimethyl-7-(3-methylbutyl)-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(CN2CCN(CC2)C)nc2c1c(=O)n(c(=O)n2C)C)C

STK577594
Synonyms: 2-{[2-(dimethylamino)ethyl]amino}-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CN(CCNc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCCC3)C

STK577595
Synonyms: 5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-[4-(prop-2-en-1-yloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: C=CCOc1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)c(Cl)cc(c1)Cl

STK577597
Synonyms: N-[4-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-6-methyl-5-oxo-2,5-dihydropyridazin-3-yl]-2-methylpropanamide
Smiles: Clc1ccc(cc1)c1c(=O)c(C)nn(c1NC(=O)C(C)C)c1ccc(c(c1)C)C

STK577599
Synonyms: (3-{5-chloro-4-[(2,4-dimethoxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)aceticacid
Smiles: COc1cc(OC)ccc1Nc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2)(C3)CC(=O)O

STK577603
Synonyms: 7-(2-chlorobenzyl)-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCN1CCN(CC1)Cc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C

STK577605
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-benzyl-5-ethyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: CCc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)Cc1ccccc1

STK577606
Synonyms: (3S,3a'R,8a'S,8b'S)-7-ethyl-2'-(2-fluorophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1F

STK577607
Synonyms: 7-methyl-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: Cc1ccc2n(c1)c(=O)c(c(n2)N1CCN(CC1)c1ccccc1)/C=C/1\SC(=S)N(C1=O)CC1CCCO1

STK577608
Synonyms: 8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(CN2CCC(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)C

STK577609
Synonyms: (4E)-4-{[(2-hydroxyethyl)amino]methylidene}-2-phenylisoquinoline-1,3(2H,4H)-dione
Smiles: OCCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccccc1

STK577612
Synonyms: 10-(2,4-dichlorophenyl)-9-hydroxy-7,7-dimethyl-6,7,8,10-tetrahydro-11H-indeno[1,2-b]quinolin-11-one
Smiles: Clc1ccc(c(c1)Cl)C1C2=C(O)CC(CC2=NC2=C1C(=O)c1c2cccc1)(C)C

STK577613
Synonyms: N-(4-methylphenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc(n1c1ccc(cc1)C)COc1ccccc1

STK577614
Synonyms: (5E)-5-[1-(azepan-1-ylamino)propylidene]-6-hydroxy-3-(4-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)/NN1CCCCCC1

STK577616
Synonyms: 6-cyclohexyl-1-phenyl-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: O=c1nc(S)n(c2c1CN(CN2)C1CCCCC1)c1ccccc1

STK577617
Synonyms: 2-({4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccc(cc1)C

STK577618
Synonyms: tert-butyl(3S)-3-[(2-methoxy-5-methylphenyl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: COc1ccc(cc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C

STK577619
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK577622
Synonyms: (4Z)-4-[2-(1,3-benzodioxol-5-yl)-4H-chromen-4-ylidene]-2-(4-fluorophenyl)-1,3-oxazol-5(4H)-one
Smiles: Fc1ccc(cc1)C1=N/C(=C\2/C=C(Oc3c2cccc3)c2ccc3c(c2)OCO3)/C(=O)O1

STK577623
Synonyms: 2-(6-ethyl-1,3-benzothiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)c(=O)c1c(o2)cccc1

STK577624
Synonyms: 2-{[4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1F)F)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK577625
Synonyms: 2-(4-bromophenyl)-3-(4-methoxybenzyl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COc1ccc(cc1)Cn1c(nc2c(c1=O)c(=O)c1c(o2)cccc1)c1ccc(cc1)Br

STK577626
Synonyms: N-(3-fluorophenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nnc(n1c1ccc(cc1)C)COc1ccc(cc1)C

STK577627
Synonyms: 2-chloro-N-[(2Z)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]-5-nitrobenzamide
Smiles: Cc1ccc2c(c1)s/c(=N\C(=O)c1cc(ccc1Cl)[N+](=O)[O-])/[nH]2

STK577628
Synonyms: 2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccc1OC

STK577633
Synonyms: 4-bromo-N-[4-chloro-3-(propanoylamino)phenyl]benzamide
Smiles: CCC(=O)Nc1cc(ccc1Cl)NC(=O)c1ccc(cc1)Br

STK577635
Synonyms: 4-{(Z)-[4-iminio-8-(methylsulfonyl)-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene]methyl}phenolate
Smiles: [O-]c1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=[NH2+])c1ccc(cc1s2)S(=O)(=O)C

STK577636
Synonyms: (3a'S,6a'R)-5'-(2-methoxyethyl)-6,7-dimethyl-3'-[2-(methylsulfanyl)ethyl]-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCSC)C(=O)Nc2c1ccc(c2C)C

STK577637
Synonyms: 5-(3-methylphenyl)-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(F)(F)F

STK577639
Synonyms: 5-(3,4,5-trimethoxyphenyl)-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1c(OC)cc(cc1OC)/C=N/n1c(=S)[nH]nc1c1cc(OC)c(c(c1)OC)OC

STK577640
Synonyms: 3-(3-bromo-4-fluorophenyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)C2C1C(c1ccc(c(c1)Br)F)N(O2)c1ccccc1

STK577641
Synonyms: 7-bromo-1-(2,3-dimethoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1c(OC)cccc1C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Br

STK577642
Synonyms: (2'S,3S,3'S,10b'R)-3'-(2,2-dimethylpropanoyl)-2'-[(2-ethoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CCOc1ccccc1C(=O)[C@@H]1[C@H](N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C(=O)C(C)(C)C

STK577643
Synonyms: N-[(2,3-dimethylphenyl)carbamoyl]-L-alanine
Smiles: O=C(Nc1cccc(c1C)C)N[C@H](C(=O)O)C

STK577647
Synonyms: 4-[({[4-(4-methoxyphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)N)nnc1c1ccccn1

STK577650
Synonyms: N-[6-chloro-3-(4-methoxyphenyl)-4-oxo-4H-chromen-2-yl]thiophene-2-carboxamide
Smiles: COc1ccc(cc1)c1c(NC(=O)c2cccs2)oc2c(c1=O)cc(cc2)Cl

STK577651
Synonyms: 4-{[(E)-furan-2-ylmethylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccco1

STK577653
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dichlorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK577654
Synonyms: 1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-N-(3-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Clc1ccc(cc1)c1c(C(=O)Nc2cccc(c2)C)n2c3c1CCCCn3c(c2)c1ccc(c(c1)Cl)Cl

STK577655
Synonyms: N'-[2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl]-N,N-dimethylpropane-1,3-diamine
Smiles: CN(CCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C(C)C)C

STK577656
Synonyms: N'-(2,2-dimethyl-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl)-N,N-diethylpropane-1,3-diamine
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCCCN(CC)CC

STK577658
Synonyms: methyl5-({[6-cyano-8,8-dimethyl-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}methyl)furan-2-carboxylate
Smiles: COC(=O)c1ccc(o1)CSc1nnc2n1c(Nc1ccccc1)c(C#N)c1c2COC(C1)(C)C

STK577661
Synonyms: 6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl{[(benzyloxy)carbonyl]amino}(phenyl)acetate
Smiles: O=C(NC(C(=O)Oc1ccc2c(c1C)oc(=O)c1c2CCC1)c1ccccc1)OCc1ccccc1

STK577662
Synonyms: (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Smiles: O=C1/C(=C/c2c(F)cccc2Cl)/Oc2c1ccc(c2C[NH+]1CCCCC1)[O-]

STK577664
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(4-chlorophenyl)carbonyl]-3'-[(4-methylphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Cc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)Cl)C(=O)Nc1c2cccc1)cccc3

STK577665
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(c(c1)Cl)OC

STK577666
Synonyms: 6'-chloro-1,3-bis(2-methylpropyl)-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: CC(CN1C(=O)N(CC(C)C)C(=O)C2(C1=O)Cc1c(Cl)cccc1N1C2CCC1)C

STK577667
Synonyms: 4-butoxy-N-{2-[(3-chloro-4-methoxyphenyl)carbonyl]-1-benzofuran-3-yl}benzamide
Smiles: CCCCOc1ccc(cc1)C(=O)Nc1c(oc2c1cccc2)C(=O)c1ccc(c(c1)Cl)OC

STK577669
Synonyms: 4-{(2E)-2-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydrazinyl}benzoicacid
Smiles: Cc1ccc2c(c1)nc(c(c2)/C=N/Nc1ccc(cc1)C(=O)O)Cl

STK577670
Synonyms: N-[(2E)-3-(4-acetylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methoxyacetamide
Smiles: COCC(=O)/N=C\1/SC2C(N1c1ccc(cc1)C(=O)C)CS(=O)(=O)C2

STK577671
Synonyms: 8-amino-2',6'-dihydroxy-3-(2-methoxyphenyl)-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
Smiles: COc1ccccc1N1CCN2C(C1)C1(Cc3c2ccc(c3)N)C(=NC(=NC1=O)O)O

STK577672
Synonyms: 3-(1,3-benzodioxol-5-ylmethyl)-1',3'-dimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1ccccc1N1C2CN(CC1)Cc1ccc2c(c1)OCO2

STK577673
Synonyms: 1',3'-dimethyl-6a,7,8,9,10,11-hexahydro-2'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1ccccc1N1C2CCCCC1

STK577675
Synonyms: 2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)F)nnc1COc1ccccc1

STK577676
Synonyms: N-[2-(dimethylamino)ethyl]-3-(2-methyl-1H-benzimidazol-1-yl)propanamide
Smiles: CN(CCNC(=O)CCn1c(C)nc2c1cccc2)C

STK577677
Synonyms: 5-oxo-5-{[(3Z)-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]amino}pentanoicacid
Smiles: CCCn1[nH]/c(=N\C(=O)CCCC(=O)O)/c2c1nc1ccccc1c2

STK577678
Synonyms: N-(2-bromophenyl)-2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccccc1Br)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STK577680
Synonyms: (5Z)-5-(2-{4-[(2E)-2-(4-hydroxy-2-oxo-1,3-thiazol-5(2H)-ylidene)acetyl]piperazin-1-yl}-2-oxoethylidene)-1,3-thiazolidine-2,4-dione
Smiles: O=C1S/C(=C\C(=O)N2CCN(CC2)C(=O)/C=C\2/SC(=O)N=C2O)/C(=O)N1

STK577681
Synonyms: 8-cyclohexyl-1,7-dimethyl-3-[2-(piperidin-1-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: O=c1c2c(nc3n2cc(n3C2CCCCC2)C)n(c(=O)n1CCN1CCCCC1)C

STK577682
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2-chlorophenyl)carbonyl]-2'-[(4-methylphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Cc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK577684
Synonyms: 6-hydroxy-3-methyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: Cc1ccnc(n1)SCCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)c1ccccc1

STK577685
Synonyms: 2-[(3a'S,6a'R)-5'-(4-fluorobenzyl)-6,7-dimethyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc(cc1)F)C(=O)Nc1c2ccc(c1C)C

STK577687
Synonyms: ethyl1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate
Smiles: CCOC(=O)C1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)N=C(N(C1=O)c1ccc(cc1)Cl)O

STK577688
Synonyms: N-(3-fluoro-4-methylphenyl)-2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(c(c2)F)C)nnc1c1cccc(c1)OC

STK577689
Synonyms: 4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCOc1ccc(cc1)c1c(C(=O)Nc2ccccc2)n2c3c1CCCCn3c(c2)c1ccc(cc1)Cl

STK577692
Synonyms: 1-{2-[4-(dimethylamino)phenyl]-10-(furan-2-yl)-8-methyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl}ethanone
Smiles: CC(=O)C1=C(C)Oc2c(C1c1ccco1)c1nc(nn1cn2)c1ccc(cc1)N(C)C

STK577695
Synonyms: (4E)-1-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccccc1C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1cccc(c1)Br

STK577696
Synonyms: 7'-[(E)-(1-benzyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: O=C1N=C(O)/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C(=O)N1Cc1ccccc1

STK577698
Synonyms: 5-(4-methoxyphenyl)-1,3-dimethyl-10-[(E)-2-phenylethenyl]-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: COc1ccc(cc1)c1c2c(c3n1CCOC3/C=C/c1ccccc1)n(C)c(=O)n(c2=O)C

STK577702
Synonyms: 2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(n1Cc1ccco1)Cc1cccs1

STK577703
Synonyms: 9-(4-methylphenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CSc1nc2n(n1)C(c1ccc(cc1)C)C1=C(O)CCCC1=N2

STK577705
Synonyms: (4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Smiles: CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccc(cc1)Cl

STK577707
Synonyms: (E)-[2-(2,3-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(2-methylpropoxy)phenyl]methanolate
Smiles: COc1c(OC)cccc1C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCC(C)C)/[O-]

STK577709
Synonyms: 4-({(E)-[2-(3,4-dimethylphenyl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene]methyl}amino)benzenesulfonamide
Smiles: O=C1/C(=C/Nc2ccc(cc2)S(=O)(=O)N)/c2ccccc2C(=O)N1c1ccc(c(c1)C)C

STK577710
Synonyms: 4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(2-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1Br)/C=N/n1c(=S)[nH]nc1c1ccccc1Br

STK577712
Synonyms: 2-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(3-hydroxypropyl)acetamide
Smiles: OCCCNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C

STK577713
Synonyms: 2-(3,4-dimethoxyphenyl)-12-(4-methoxyphenyl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: COc1ccc(cc1)C1C2=C(CCCC2=O)Oc2c1c1nc(nn1cn2)c1ccc(c(c1)OC)OC

STK577716
Synonyms: 1-(3,4-dichlorophenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)Cl)Cl)nnc1c1ccccn1

STK577717
Synonyms: 7-(4-chlorophenyl)-2-hydroxy-10-(4-hydroxyphenyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-6,8(4aH,7H)-dione
Smiles: Oc1nc2c(s1)C(c1ccc(cc1)O)C1C(S2)C2CC1C1C2C(=O)N(C1=O)c1ccc(cc1)Cl

STK577718
Synonyms: 3-[(3a'S,6a'R)-5-fluoro-2,4',6'-trioxo-5'-(2-phenylethyl)-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide
Smiles: NC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(F)cc1

STK577721
Synonyms: 5,7-dichloro-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cccc(c1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)c(Cl)cc(c1)Cl

STK577722
Synonyms: methylN-[(3-chlorophenyl)carbamoyl]-D-alaninate
Smiles: COC(=O)[C@H](NC(=O)Nc1cccc(c1)Cl)C

STK577723
Synonyms: 1-(1-{6-[(2-methoxyphenyl)amino]pyrimidin-4-yl}-5-methyl-1H-pyrazol-4-yl)ethanone
Smiles: COc1ccccc1Nc1ncnc(c1)n1ncc(c1C)C(=O)C

STK577724
Synonyms: (3E)-4-imino-7,8-dimethyl-3-(3,4,5-trimethoxybenzylidene)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Smiles: COc1cc(/C=C\2/C(=O)N=c3n(C2=N)c2cc(C)c(cc2s3)C)cc(c1OC)OC

STK577725
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
Smiles: Clc1cccc(c1)c1nnc(n1C)SCC(=O)Nc1cccc(c1C)C

STK577726
Synonyms: N-(3-chloro-4-fluorophenyl)-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamide
Smiles: O=C(Nc1ccc(c(c1)Cl)F)CCCCCn1nnc2c(c1=O)cccc2

STK577727
Synonyms: 1,3-dimethyl-5-(5-nitro-2-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}benzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)C(=Cc2cc(ccc2N2CCN(CC2)C/C=C/c2ccccc2)[N+](=O)[O-])C(=O)N1C

STK577728
Synonyms: 2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)Oc2ccccc2)nnc1c1cccc(c1)Cl

STK577729
Synonyms: 1-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Smiles: Clc1ccc(cc1)n1c(SCC(=O)C(C)(C)C)nnc1c1ccc(cc1)Cl

STK577730
Synonyms: 3-{(3a'S,6a'R)-5'-[2-(3,4-dimethoxyphenyl)ethyl]-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl}propanoicacid
Smiles: COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)C2(NC3CCC(=O)O)C(=O)Nc3c2cccc3)ccc1OC

STK577731
Synonyms: N-[N-(2,5-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]benzenesulfonamide
Smiles: COc1ccc(c(c1)N/C(=N\c1nc(C)cc(n1)C)/NS(=O)(=O)c1ccccc1)OC

STK577733
Synonyms: 4-(benzyloxy)-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: S=C1S/C(=C\c2cccs2)/C(=O)N1NC(=O)c1ccc(cc1)OCc1ccccc1

STK577735
Synonyms: N-[4-(4-chlorophenyl)-6-methyl-2-(4-methylphenyl)-5-oxo-2,5-dihydropyridazin-3-yl]-2-fluorobenzamide
Smiles: Cc1ccc(cc1)n1nc(C)c(=O)c(c1NC(=O)c1ccccc1F)c1ccc(cc1)Cl

STK577736
Synonyms: (5E)-6-hydroxy-5-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-(thiophen-2-ylmethyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccccc1OCCn1cc(c2c1cccc2)/C=C/1\C(=NC(=O)N(C1=O)Cc1cccs1)O

STK577737
Synonyms: 2-[(2,3-dimethylphenoxy)methyl]-11-(furan-2-yl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1nn(c2c1C(c1ccco1)c1c(O2)ncn2c1nc(n2)COc1cccc(c1C)C)c1ccccc1

STK577739
Synonyms: 3-{[4-(azepan-1-ylcarbonyl)cyclohexyl]methyl}quinazolin-4(3H)-one
Smiles: O=C(N1CCCCCC1)C1CCC(CC1)Cn1cnc2c(c1=O)cccc2

STK577740
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(4-methylphenyl)carbonyl]-3'-(pyridin-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Cc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccn2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK577741
Synonyms: (5Z)-5-[(1-butyl-2,3-dihydro-1H-indol-5-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
Smiles: CCCCN1CCc2c1ccc(c2)/C=C\1/C(=NC(=NC1=O)S)O

STK577742
Synonyms: N-{(1Z)-1-[1-cyano-2-oxo-2-(phenylamino)ethylidene]-1H-isoindol-3-yl}furan-2-carboxamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccco1)/C(=O)Nc1ccccc1

STK577743
Synonyms: 2-{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK577744
Synonyms: (3a'S,6a'R)-5'-(butan-2-yl)-7-chloro-3'-(propan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(C)C)C(=O)Nc2c1cccc2Cl)C

STK577745
Synonyms: 2-{[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)cc(c1)Cl)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)C

STK577746
Synonyms: 8-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-3-ethyl-1',3'-dimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-tri
Smiles: CCN1CCN2C(C1)C1(Cc3c2ccc(c3)NC=C2C(=O)N(C)C(=O)N(C2=O)C)C(=O)N(C)C(=O)N(C1=O)C

STK577747
Synonyms: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide
Smiles: O=S(=O)(c1ccccc1)Nc1ccc2c(c1)nc1n2CCN(C1)C1CCCCC1

STK577748
Synonyms: N-{(2S)-3-methyl-1-oxo-1-[(1-phenylpropan-2-yl)amino]butan-2-yl}-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole-1-carboxamide
Smiles: CC(NC(=O)[C@H](C(C)C)NC(=O)N1CCn2c1nc1c2cccc1)Cc1ccccc1

STK577752
Synonyms: (4E)-4-[furan-2-yl(hydroxy)methylidene]-5-[4-(methylsulfanyl)phenyl]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
Smiles: CSc1ccc(cc1)C1N(c2nnc(s2)SC)C(=O)C(=O)/C/1=C(\c1ccco1)/O

STK577753
Synonyms: (2S)-N-(4-methoxyphenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Smiles: COc1ccc(cc1)NC(=O)[C@@H](n1nnc2c(c1=O)cccc2)C

STK577754
Synonyms: 6-methyl-9-(3,4,5-trimethoxyphenyl)-2,3,9,10-tetrahydro-8H-cyclopenta[3,4]chromeno[6,7-e][1,3]oxazin-4(1H)-one
Smiles: COc1cc(cc(c1OC)OC)N1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCC2

STK577758
Synonyms: 2-(2-chlorophenyl)-3-(2-methoxyethyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COCCn1c(nc2c(c1=O)c(=O)c1c(s2)cccc1)c1ccccc1Cl

STK577759
Synonyms: ethyl4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1nc2sc3c(c2c(=O)n1c1ccccc1)CCCCC3

STK577761
Synonyms: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-(2,3,4-trifluorophenyl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)Nc1ccc(c(c1F)F)F

STK577762
Synonyms: (5E)-6-hydroxy-3-(2-methylphenyl)-5-{1-[(tetrahydrofuran-2-ylmethyl)amino]propylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NCC1CCCO1

STK577763
Synonyms: methylN-[(2-fluorophenyl)carbamoyl]-D-phenylalaninate
Smiles: COC(=O)[C@H](NC(=O)Nc1ccccc1F)Cc1ccccc1

STK577766
Synonyms: 8-(4-benzylpiperazin-1-yl)-6-hydroxy-3-methyl-7-(2-methylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1ccccc1)C

STK577767
Synonyms: ethyl5-cyano-4-(2-fluorophenyl)-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate
Smiles: CCOC(=O)C1C(=NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1ccc(cc1)F)O

STK577768
Synonyms: 3-methoxy-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
Smiles: COc1cccc(c1)C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)CC1CCCO1

STK577770
Synonyms: 3-methyl-4-nitroso-1-(pyridin-2-yl)-1H-pyrazol-5-amine
Smiles: O=Nc1c(C)nn(c1N)c1ccccn1

STK577772
Synonyms: N-[(2E)-3-(5-chloro-2-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclohexanecarboxamide
Smiles: COc1ccc(cc1N1/C(=N\C(=O)C2CCCCC2)/SC2C1CS(=O)(=O)C2)Cl

STK577773
Synonyms: N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide
Smiles: O=C(N(c1ccccc1)Cc1cc2cccc(c2[nH]c1=O)C)c1ccc(cc1)[N+](=O)[O-]

STK577774
Synonyms: (5E)-1-[4-(propan-2-yl)phenyl]-5-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCCN1CCCc2c1ccc(c2)/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)C(C)C)S

STK577775
Synonyms: 3-(2-methoxyphenyl)-5-methyl-7-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1c1cnn2c1nc(C)cc2N1CCN(CC1)CC(=C)C

STK577776
Synonyms: 3-(3-chlorophenyl)-5-[(4-methoxybenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)CSc1nnc(n1C)c1cccc(c1)Cl

STK577777
Synonyms: (2Z)-7-{[butyl(methyl)ammonio]methyl}-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccccc1OC)/C2=O)C

STK577779
Synonyms: (1Z)-3-(2,4-dichlorophenoxy)-1-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)butan-2-one
Smiles: Clc1ccc(c(c1)Cl)OC(C(=O)/C=C/1\NCCc2c1cc1OCOc1c2)C

STK577780
Synonyms: (2'S,3S,3'S,10b'R)-3'-(1,3-benzodioxol-5-ylcarbonyl)-2'-[(2-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK577781
Synonyms: 1-(4-fluorophenyl)-2-(prop-2-en-1-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: C=CCN1C(=O)c2c(C1c1ccc(cc1)F)c(=O)c1c(o2)cccc1

STK577782
Synonyms: 5-(4-ethoxyphenyl)-4-{[(E)-(2-methylphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccccc1C

STK577783
Synonyms: N-(4-{[(3Z)-1-butyl-7-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]sulfamoyl}phenyl)acetamide
Smiles: CCCCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)NC(=O)C)/c2c1nc1cc(C)ccc1c2

STK577785
Synonyms: [4-(4-fluorophenyl)piperazin-1-yl](6-methoxy-1H-indol-2-yl)methanone
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N1CCN(CC1)c1ccc(cc1)F

STK577786
Synonyms: 6-amino-4-(2,4-dimethoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
Smiles: N#Cc1c(N)nc2c(c1c1ccc(cc1OC)OC)c(C)nn2c1ccccc1

STK577787
Synonyms: 8-(3-chlorophenyl)-2-(4-methoxybenzyl)-10-methyl-11-(pyridin-3-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccc(cc1)Cc1nn2c(n1)c1c(nc2)Oc2c(C1c1cccnc1)c(C)nn2c1cccc(c1)Cl

STK577788
Synonyms: N-(1-benzylpiperidin-4-yl)-2-[(6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetamide
Smiles: O=C(NC1CCN(CC1)Cc1ccccc1)COc1ccc2c(c1C)oc(=O)c1c2CCC1

STK577793
Synonyms: methylN-[(2,5-dimethylphenyl)carbamoyl]-L-leucinate
Smiles: COC(=O)[C@@H](NC(=O)Nc1cc(C)ccc1C)CC(C)C

STK577794
Synonyms: (4E)-1-butyl-4-[hydroxy(4-methoxyphenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione
Smiles: CCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OC)/O)/C1c1ccccc1[N+](=O)[O-]

STK577796
Synonyms: 3-(3,4-difluorophenyl)-6-ethyl-10-methyl-3,4-dihydro-2H,8H-chromeno[6,7-e][1,3]oxazin-8-one
Smiles: CCc1cc(=O)oc2c1cc1CN(COc1c2C)c1ccc(c(c1)F)F

STK577799
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-chlorophenyl)methylidene]-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)Cl

STK577802
Synonyms: 6-(2-chlorobenzyl)-1-(4-chlorophenyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Clc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)Cc1ccccc1Cl

STK577803
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK577804
Synonyms: 2-[(2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl)amino]butan-1-ol
Smiles: CCC(Nc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C)CO

STK577806
Synonyms: 2-[2-(4-chlorophenyl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1H-isoindole-1,3(2H)-dione
Smiles: Clc1ccc(cc1)c1nn2c(n1)nc(cc2N1C(=O)c2c(C1=O)cccc2)O

STK577807
Synonyms: N-[2-(furan-2-yl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)CC(=O)Nc1cc(O)nc2n1nc(n2)c1ccco1

STK577809
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-[(1E)-1-(thiophen-2-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C(/c1cccs1)\C

STK577811
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc(n1C)c1cccc(c1)Cl

STK577813
Synonyms: (1S,2S)-2-phenyl-N'-[(E)-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene]cyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1ccc(o1)c1cccc(c1)C(F)(F)F

STK577817
Synonyms: 1-[(2E)-2-(3-ethoxy-4-hydroxybenzylidene)hydrazinyl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCOc1cc(/C=N/Nc2c(CC)c(C)c(c3n2c2ccccc2n3)C#N)ccc1O

STK577820
Synonyms: 4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1Br)/C=N/n1c(COc2ccccc2)n[nH]c1=S

STK577821
Synonyms: N-(4-methoxyphenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(c2ccc(cc2)C)c2c3n1cc(n3CCCC2)c1ccc(cc1)C

STK577823
Synonyms: 3-methyl-1-(3-methylphenyl)-1H-pyrazol-5-amine
Smiles: Cc1cccc(c1)n1nc(cc1N)C

STK577824
Synonyms: N-[6-methyl-2,4-bis(4-methylphenyl)-5-oxo-2,5-dihydropyridazin-3-yl]butanamide
Smiles: CCCC(=O)Nc1c(c2ccc(cc2)C)c(=O)c(nn1c1ccc(cc1)C)C

STK577826
Synonyms: 10-fluoro-7-(3-methoxybenzyl)-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-6(7H)-one
Smiles: COc1cccc(c1)Cn1c2ccc(cc2c2c1c(=O)n1CCCSc1n2)F

STK577827
Synonyms: (5-bromo-3-methyl-1H-indol-2-yl)[4-(2-methoxyphenyl)piperazin-1-yl]methanone
Smiles: COc1ccccc1N1CCN(CC1)C(=O)c1[nH]c2c(c1C)cc(cc2)Br

STK577828
Synonyms: 1-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCOc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)OC)n2c3c1CCCCn3c(c2)c1ccccc1

STK577829
Synonyms: 5,7-dimethyl-N-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)Nc1cccc(c1)C(F)(F)F

STK577832
Synonyms: (Z)-1-(3,4-dimethoxyphenyl)-N-{[10-methyl-11-(4-methylphenyl)-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy}methanimine
Smiles: COc1cc(/C=N\OCc2nn3c(n2)c2c(nc3)Oc3c(C2c2ccc(cc2)C)c(C)nn3c2ccccc2)ccc1OC

STK577833
Synonyms: (2Z)-1-(3,5-dichlorophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone
Smiles: Clc1cc(Cl)cc(c1)C(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2

STK577834
Synonyms: 3-(3,5-dimethylphenyl)-10-methyl-2-(3,4,5-trimethoxyphenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: COc1c(OC)cc(cc1OC)c1nc2n(C)c3ccccc3c(=O)c2c(=O)n1c1cc(C)cc(c1)C

STK577835
Synonyms: 3-(3-chlorophenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Smiles: Clc1cccc(c1)c1nnc(n1c1ccccc1)SCc1c(Cl)cccc1Cl

STK577836
Synonyms: 2-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-imino-6,7,11,12-tetrahydro-4H,10H-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: CCOc1cc(ccc1OC(F)F)c1cc2c3cc4OCCCOc4cc3CCn2c(=N)c1C#N

STK577837
Synonyms: 6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl2-{[(benzyloxy)carbonyl]amino}butanoate
Smiles: CCC(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1)Cl)NC(=O)OCc1ccccc1

STK577839
Synonyms: 2-{[3-cyano-4-(furan-2-yl)-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2F)N=C2C(=C(O)CCC2)C1c1ccco1

STK577840
Synonyms: 7-methyl-4-(4-methylphenyl)-2-phenyl-4,6,7,8-tetrahydro-2H-pyrazolo[3,4-b]quinoline-3,5-diol
Smiles: CC1CC(=C2C(=Nc3c(C2c2ccc(cc2)C)c(n(n3)c2ccccc2)O)C1)O

STK577841
Synonyms: N-(4-{[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl](pyridin-3-ylmethyl)sulfamoyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)Cc1cccnc1

STK577843
Synonyms: N'-[2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl]-N,N-dimethylethane-1,2-diamine
Smiles: CC(Cc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCCN(C)C)C

STK577844
Synonyms: N-[(3Z)-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-2,1,3-benzoxadiazole-4-sulfonamide
Smiles: CC(Cn1[nH]/c(=N\S(=O)(=O)c2cccc3c2non3)/c2c1nc1ccccc1c2)C

STK577845
Synonyms: N,N-diethyl-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-amine
Smiles: CCN(c1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C)CC

STK577846
Synonyms: 1-(4-ethylphenyl)-N-(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)OC)n2c3c1CCCCn3c(c2)c1ccc(cc1)C

STK577848
Synonyms: (4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Smiles: CC(CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O)C

STK577849
Synonyms: 3-[(4-chlorophenoxy)methyl]-5-[(2,6-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)n1c(nnc1SCc1c(Cl)cccc1Cl)COc1ccc(cc1)Cl

STK577851
Synonyms: 8-(4-ethylpiperazin-1-yl)-6-hydroxy-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-2H-purin-2-one
Smiles: CCN1CCN(CC1)c1nc2c(n1Cc1ccc(cc1)C)c(O)nc(=O)n2C

STK577852
Synonyms: 4-(4-hydroxy-3-methoxyphenyl)-1-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Smiles: COc1cc(ccc1O)C1CC(=Nc2c1c(nn2c1ccc(cc1)[N+](=O)[O-])c1ccccc1)O

STK577854
Synonyms: 2-{(2Z)-2-[(2E)-(4-bromobenzylidene)hydrazinylidene]-4-hydroxy-2,5-dihydro-1,3-thiazol-5-yl}-N-(4-fluorophenyl)acetamide
Smiles: O=C(CC1S/C(=N\N=C\c2ccc(cc2)Br)/N=C1O)Nc1ccc(cc1)F

STK577855
Synonyms: methyl(3-benzyl-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)acetate
Smiles: COC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)Cc1ccccc1)CCCCC3

STK577856
Synonyms: 5-(4-ethoxyphenyl)-4-{(2E)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1N/N=C/c1sccc1C

STK577857
Synonyms: 1,3-dimethyl-7-(4-methylbenzyl)-8-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(CN2CCCCC2C)nc2c1c(=O)n(C)c(=O)n2C

STK577858
Synonyms: N-[3-(4-bromophenyl)-6-chloro-4-oxo-4H-chromen-2-yl]-3-methoxybenzamide
Smiles: COc1cccc(c1)C(=O)Nc1oc2ccc(cc2c(=O)c1c1ccc(cc1)Br)Cl

STK577859
Synonyms: 2-{(2E)-4-hydroxy-2-[(2-methoxyphenyl)imino]-2,5-dihydro-1,3-thiazol-5-yl}-N-phenylacetamide
Smiles: COc1ccccc1/N=C/1\N=C(C(S1)CC(=O)Nc1ccccc1)O

STK577861
Synonyms: N-[4-(4-methoxyphenyl)-6-methyl-2-(4-methylphenyl)-5-oxo-2,5-dihydropyridazin-3-yl]-2-methylbenzamide
Smiles: COc1ccc(cc1)c1c(NC(=O)c2ccccc2C)n(nc(c1=O)C)c1ccc(cc1)C

STK577862
Synonyms: 3-(2-methylprop-2-en-1-yl)-7,8,9,10-tetrahydropyrimido[4',5':4,5]furo[2,3-b]quinolin-4(3H)-one
Smiles: CC(=C)Cn1cnc2c(c1=O)oc1c2cc2c(n1)CCCC2

STK577863
Synonyms: (5Z)-4-hydroxy-5-{[1-(3-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-thiazole-2(5H)-thione
Smiles: Oc1cccc(c1)n1c(C)cc(c1C)/C=C/1\SC(=S)N=C1O

STK577864
Synonyms: 3-[(2,6-dichlorobenzyl)sulfanyl]-4-(furan-2-ylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazole
Smiles: Cc1cccc(c1)c1nnc(n1Cc1ccco1)SCc1c(Cl)cccc1Cl

STK577866
Synonyms: 2-(ethylsulfanyl)-9-(4-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1ccc(cc1)F

STK577867
Synonyms: N-(2,6-dimethylphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK577869
Synonyms: 3-(1H-benzimidazol-2-yl)-1-ethyl-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: CCn1c2nc3ccccc3nc2c(c1N)c1nc2c([nH]1)cccc2

STK577870
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(4-methylphenyl)-5-(2-nitrophenyl)pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccccc1[N+](=O)[O-]

STK577871
Synonyms: (E)-1-(4-methoxyphenyl)-N-{[11-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy}methanimine
Smiles: COc1ccc(cc1)/C=N/OCc1nc2n(n1)cnc1c2C(c2ccccc2OC)c2c(O1)n(nc2C)c1ccccc1

STK577872
Synonyms: 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8-phenyl-11-(pyridin-3-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1nn(c2c1C(c1cccnc1)c1c(O2)ncn2c1nc(n2)CSc1nc2c(o1)cccc2)c1ccccc1

STK577874
Synonyms: N-[2',6'-dihydroxy-3-(4-methoxyphenyl)-4'-oxo-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl]acetamide
Smiles: COc1ccc(cc1)N1CCN2C(C1)C1(Cc3c2ccc(c3)NC(=O)C)C(=NC(=NC1=O)O)O

STK577878
Synonyms: 1-(3,4-dimethoxyphenyl)-7-methyl-2-(pyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(ccc1OC)C1N(c2ccccn2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK577879
Synonyms: methyl{[9-(4-fluorophenyl)-8-hydroxy-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1ccc(cc1)F

STK577880
Synonyms: 5-(2-hydroxy-5-methylphenyl)-N-[(2E)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)C)O

STK577881
Synonyms: (7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-methylphenyl)methanone
Smiles: C=C1c2cc3OCCCOc3cc2CCN1C(=O)c1ccccc1C

STK577882
Synonyms: (4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(3-ethoxy-4-propoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: CCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O

STK577885
Synonyms: methylN-[(1Z)-1-(4-hydroxy-2,6-dioxo-1-phenyl-1,6-dihydropyrimidin-5(2H)-ylidene)ethyl]tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1)O)/C

STK577887
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STK577888
Synonyms: 2-amino-5'-methoxy-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile
Smiles: COc1ccc2c(c1)C1(C(=O)N2)C(=C(N)OC2=C1C(=O)CCC2)C#N

STK577889
Synonyms: 4-[(2-ethoxyethyl)sulfanyl]-7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Smiles: CCOCCSc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C

STK577890
Synonyms: 8-(3-chlorophenyl)-1-methyl-3-(2-phenylethyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: Clc1cccc(c1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CCc1ccccc1

STK577891
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)C)C)CSc1nnc(n1C)c1cccc(c1)Cl

STK577892
Synonyms: 10-(3-hydroxy-4-methoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: COc1ccc(cc1O)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccc(cc1)C)C

STK577894
Synonyms: 9-(methylsulfanyl)-4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-7-thiol
Smiles: CSc1nc(S)c2c(n1)c1c(s2)nc(c2c1CCC2)C(C)C

STK577895
Synonyms: (3R)-2,2-dimethyl-5-oxo-N-{(2S)-1-oxo-1-[(1-phenylethyl)amino]propan-2-yl}-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: O=C([C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C)NC(c1ccccc1)C

STK577897
Synonyms: 4-(4-chlorophenyl)-1-(4-ethylphenyl)-N-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccccc1OC)cc3c1ccc(cc1)Cl

STK577899
Synonyms: N-(4-ethoxyphenyl)-2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STK577901
Synonyms: 4-[(5Z)-5-(4-chlorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]butanoicacid
Smiles: OC(=O)CCCN1C(=O)S/C(=C\c2ccc(cc2)Cl)/C1=O

STK577902
Synonyms: 3'-[2-(3,4-dimethoxyphenyl)ethyl]-6'-hydroxy-3-(4-methoxyphenyl)-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: COc1ccc(cc1)N1CCN2C(C1)C1(Cc3c2cccc3)C(=NC(=O)N(C1=O)CCc1ccc(c(c1)OC)OC)O

STK577903
Synonyms: methylN-{(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}tryptophanate
Smiles: C=CCN1C(=O)N=C(/C(=C(\NC(C(=O)OC)Cc2c[nH]c3c2cccc3)/CC)/C1=O)O

STK577904
Synonyms: 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-phenylacetamide
Smiles: ClCC(=O)N(C1CCS(=O)(=O)C1)c1ccccc1

STK577905
Synonyms: ethyl3-{[(2-hydroxy-4-oxoquinazolin-3(4H)-yl)acetyl]amino}benzoate
Smiles: CCOC(=O)c1cccc(c1)NC(=O)Cn1c(O)nc2c(c1=O)cccc2

STK577907
Synonyms: 4-(3-chlorophenyl)-8-methyl-1-(propylsulfanyl)-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: CCCSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)Cl)CCN(C3)C

STK577908
Synonyms: (1S)-1-{5-[(2-chloro-6-fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-methylpropan-1-amine
Smiles: N[C@H](c1nnc(o1)SCc1c(F)cccc1Cl)C(C)C

STK577909
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3-methoxyphenyl)carbonyl]-2'-[(4-propoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CCCOc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2cccc(c2)OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK577910
Synonyms: N-[(2E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methoxyacetamide
Smiles: COCC(=O)/N=C\1/SC2C(N1c1ccc3c(c1)OCCO3)CS(=O)(=O)C2

STK577911
Synonyms: 7-(4-cyclohexylpiperazin-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2N1CCN(CC1)C1CCCCC1

STK577912
Synonyms: 10-(1,3-benzodioxol-5-yl)-1,3-dimethyl-5-(4-methylphenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: Cc1ccc(cc1)c1c2c(c3n1CCOC3c1ccc3c(c1)OCO3)n(C)c(=O)n(c2=O)C

STK577913
Synonyms: N-(4-chloro-2-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)Cl)CSc1nnc(n1c1ccccc1)c1nccnc1

STK577915
Synonyms: 8-methoxy-3-(3-methoxypropyl)-2-phenyl-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COCCCn1c(nc2c(c1=O)c(=O)c1c(o2)cc(cc1)OC)c1ccccc1

STK577916
Synonyms: 6-benzyl-5-methyl-2-[(naphthalen-1-ylmethyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: Cc1nc2[nH]c(nn2c(=O)c1Cc1ccccc1)NCc1cccc2c1cccc2

STK577917
Synonyms: 2-{2-[8,9-di(furan-2-yl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(CCc2nc3n(n2)cnc2c3c(c3ccco3)c(o2)c2ccco2)C(=O)c2c1cccc2

STK577918
Synonyms: N,4-bis(4-chlorophenyl)-1-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCOc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)Cl)n2c3c1CCCCn3c(c2)c1ccc(cc1)Cl

STK577919
Synonyms: 1-(3-chlorophenyl)-2-hydroxy-1',2',3',3a'-tetrahydro-4H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-4,6(1H)-dione
Smiles: Clc1cccc(c1)N1C(=NC(=O)C2(C1=O)Cc1ccccc1N1C2CCC1)O

STK577921
Synonyms: 4-{[(E)-(2-chlorophenyl)methylidene]amino}-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccccc1Cl

STK577922
Synonyms: (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-(pyridin-3-yl)propanamide
Smiles: C[C@H](n1nnc2c(c1=O)cccc2)C(=O)Nc1cccnc1

STK577923
Synonyms: 4-imino-2-(3-nitrophenyl)-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCOc2c1)c1cccc(c1)[N+](=O)[O-]

STK577924
Synonyms: 6,7-dimethoxy-N-(2-phenylethyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Smiles: COc1cc2CN(CCc2cc1OC)C(=S)NCCc1ccccc1

STK577925
Synonyms: 8-(4-ethylpiperazin-1-yl)-6-hydroxy-3-methyl-7-(2-methylbenzyl)-3,7-dihydro-2H-purin-2-one
Smiles: CCN1CCN(CC1)c1nc2c(n1Cc1ccccc1C)c(O)nc(=O)n2C

STK577928
Synonyms: N-(2-methoxy-5-methylphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1)C

STK577929
Synonyms: 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK577930
Synonyms: 8-{(2E)-2-[4-(benzyloxy)benzylidene]hydrazinyl}-7-ethyl-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCn1c(N/N=C/c2ccc(cc2)OCc2ccccc2)nc2c1c(O)nc(=O)n2C

STK577931
Synonyms: 2-{[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)Nc1ccc(cc1)Oc1ccccc1

STK577933
Synonyms: 4-({(2'S,3S,3'S,10b'R)-2'-[(4-nitrophenyl)carbonyl]-2-oxo-1,2,2',3'-tetrahydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-3'-yl}carbonyl)phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)Nc1c2cccc1)cccc3

STK577935
Synonyms: 5-(2-chlorophenyl)-4-{[(E)-(2,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(OC)c(cc1/C=N/n1c(=S)[nH]nc1c1ccccc1Cl)OC

STK577936
Synonyms: 4-{[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/C=C/c1ccccc1[N+](=O)[O-]

STK577937
Synonyms: 2-[4-(2-fluorophenyl)piperazin-1-yl]-9-methyl-3-{(Z)-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2F)/C1=O)C

STK577941
Synonyms: N-(2-bromo-4-methylphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2Br)C)nnc1c1ccccn1

STK577943
Synonyms: 2-methyl-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)propanamide
Smiles: O=C(N(Cc1cc2cccc(c2[nH]c1=O)C)CC1CCCO1)C(C)C

STK577946
Synonyms: N-(9-ethyl-9H-carbazol-3-yl)-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCn1c2ccc(cc2c2c1cccc2)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccccc1

STK577947
Synonyms: 8-(4-methoxyphenyl)-1-methyl-3-(4-methylbenzyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: COc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(cc1)C

STK577949
Synonyms: (4Z)-2-(4-chlorophenyl)-4-[2-(thiophen-2-yl)-4H-chromen-4-ylidene]-1,3-oxazol-5(4H)-one
Smiles: Clc1ccc(cc1)C1=N/C(=C\2/C=C(Oc3c2cccc3)c2cccs2)/C(=O)O1

STK577950
Synonyms: 4-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
Smiles: CCCc1nccc(c1)c1scc(n1)c1cc(OC)ccc1OC

STK577951
Synonyms: 8-(furan-2-ylmethyl)-1,6,7-trimethyl-3-[2-(piperidin-1-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2c(c(n1Cc1ccco1)C)C

STK577952
Synonyms: N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1nonc1c1ccc(cc1)Cl

STK577953
Synonyms: 8-(3-chloro-4-methoxyphenyl)-4-hydroxy-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: COc1ccc(cc1Cl)n1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C

STK577954
Synonyms: 9-(2-methoxy-5-methylphenyl)-4-methyl-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: COc1ccc(cc1N1COc2c(C1)c1oc(=O)cc(c1cc2)C)C

STK577955
Synonyms: 4-[({1-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]piperidin-4-yl}carbonyl)amino]butanoicacid
Smiles: OC(=O)CCCNC(=O)C1CCN(CC1)C(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2

STK577957
Synonyms: 6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl4-[(tert-butoxycarbonyl)amino]butanoate
Smiles: O=C(Oc1ccc2c(c1C)oc(=O)c1c2CCC1)CCCNC(=O)OC(C)(C)C

STK577959
Synonyms: propan-2-yl{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Smiles: CC(OC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl)C

STK577962
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-3-(4-methylphenyl)-6-[3-(trifluoromethyl)phenyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: Cc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F

STK577963
Synonyms: N-(3-methoxypropyl)-8-methyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: COCCCNc1nc2nnnn2c2c1c1CCN(Cc1s2)C

STK577965
Synonyms: (3a'S,6a'R)-5'-(3-methoxypropyl)-3'-[2-(methylsulfanyl)ethyl]-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCSC)C(=O)Nc2c1cccc2

STK577967
Synonyms: (4E)-1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: C=CCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O

STK577970
Synonyms: 1-(2,4-dichlorophenyl)-3-[N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]urea
Smiles: O=C(Nc1ccc(cc1Cl)Cl)N/C(=N/c1nc(C)cc(n1)C)/Nc1ccccc1

STK577971
Synonyms: N-[5-hydroxy-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]tetrahydrofuran-2-carboxamide
Smiles: COc1ccc(cc1)c1nn2c(n1)nc(cc2NC(=O)C1CCCO1)O

STK577973
Synonyms: (5E)-5-(1-{[2-(dimethylamino)ethyl]amino}ethylidene)-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CN(CCN/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O)/C)C

STK577974
Synonyms: 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl

STK577976
Synonyms: 5-{[(2Z)-3-(2,5-dimethylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoicacid
Smiles: OC(=O)CCCC(=O)/N=C/1\SC2C(N1c1cc(C)ccc1C)CS(=O)(=O)C2

STK577978
Synonyms: N-[4-(butan-2-yl)phenyl]-2-{[5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)c1ccccc1OC)C

STK577979
Synonyms: 2-{[10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)C)nn2)CC(OC3)(C)C

STK577980
Synonyms: N-(2-chloro-4,6-dimethylphenyl)-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2c(C)cc(cc2Cl)C)nnc1COc1ccccc1

STK577982
Synonyms: N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl]-4-methylbenzamide
Smiles: Cc1ccc(cc1)C(=O)Nc1n(C)c2ccccc2c(=O)c1c1ccc(c(c1)Cl)Cl

STK577983
Synonyms: (5E)-5-[(7-ethyl-1H-indol-3-yl)methylidene]-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: CCc1cccc2c1[nH]cc2/C=C/1\C(=NC(=NC1=O)O)O

STK577986
Synonyms: 4-(3-ethoxy-4-hydroxyphenyl)-6-hydroxy-2-(prop-2-en-1-ylsulfanyl)-4,5-dihydropyridine-3-carbonitrile
Smiles: C=CCSC1=C(C#N)C(CC(=N1)O)c1ccc(c(c1)OCC)O

STK577987
Synonyms: 3-methyl-N-{1-methyl-2-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-5-yl}butanamide
Smiles: CC(CC(=O)Nc1ccc2c(c1)nc(n2C)CCN1CCCCC1)C

STK577989
Synonyms: (1S,2S)-N'-{(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylidene}-2-phenylcyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1ccc(o1)c1ccc(cc1Cl)Cl

STK577991
Synonyms: 4-fluoro-N-(1-imino-1,3-dihydro-2H-isoindol-2-yl)benzamide
Smiles: Fc1ccc(cc1)C(=O)NN1Cc2c(C1=N)cccc2

STK577992
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1c1ccc(cc1)Cl)c1cccnc1

STK577994
Synonyms: (4E)-2-(2-methoxyphenyl)-4-{[(6-methylpyridin-2-yl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccccc1N1C(=O)/C(=C/Nc2cccc(n2)C)/c2c(C1=O)cccc2

STK577996
Synonyms: 1-(4-tert-butylphenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccc(cc1)C(C)(C)C)c(=O)c1c(o2)cc(c(c1)C)C

STK578002
Synonyms: 8-(dodecylsulfanyl)-6-hydroxy-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCCCCCCCCSc1nc2c(n1CCOC)c(O)nc(=O)n2C

STK578004
Synonyms: 3-(4-methoxyphenyl)-5-[(2-methylbenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)c1nnc(n1c1ccccc1)SCc1ccccc1C

STK578006
Synonyms: N-[(1Z)-1-{1-cyano-2-[(3,5-dimethylphenyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]-4-methoxybenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)OC)/C(=O)Nc1cc(C)cc(c1)C

STK578007
Synonyms: N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)NCCc1ccc(cc1)S(=O)(=O)N

STK578008
Synonyms: 6-(2-chlorobenzyl)-1-(3-chlorophenyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Clc1cccc(c1)n1c(S)nc(=O)c2c1NCN(C2)Cc1ccccc1Cl

STK578009
Synonyms: 6-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}hexanoicacid
Smiles: O=C(CCn1cnc2c(c1=O)cccc2)NCCCCCC(=O)O

STK578010
Synonyms: 4-{[(E)-(4-fluorophenyl)methylidene]amino}-5-(3-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)C

STK578012
Synonyms: 4-chloro-5-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]pyridazin-3-ol
Smiles: [O-][N+](=O)c1ccc(cc1)/C=N/Nc1cnnc(c1Cl)O

STK578013
Synonyms: 2-[(3a'S,6a'R)-5-bromo-2,4',6'-trioxo-5'-(2-phenylethyl)-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(Br)cc1

STK578014
Synonyms: N-[2-(diethylamino)ethyl]-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CCN(CCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2)CC

STK578015
Synonyms: 2-(3-hydroxy-4-methoxyphenyl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCOc2c1)c1ccc(c(c1)O)OC

STK578016
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/1\C(=O)Nc2c1cccc2)C

STK578017
Synonyms: 6-[(2E)-1-ethyl-2-(thiophen-2-ylmethylidene)hydrazinyl]-2-hydroxy-3-methylpyrimidin-4(3H)-one
Smiles: CCN(c1cc(=O)n(c(n1)O)C)/N=C/c1cccs1

STK578018
Synonyms: 2-({[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Smiles: CCOc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nnc1COc1ccccc1

STK578019
Synonyms: 1-(2-chlorophenyl)-6-(4-methoxybenzyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: COc1ccc(cc1)CN1CNc2c(C1)c(=O)nc(n2c1ccccc1Cl)S

STK578020
Synonyms: 2-{[10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCC(=O)Nc1cccc(c1)OC)SC

STK578021
Synonyms: 4-chloro-N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitrobenzamide
Smiles: Fc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)NC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)c1ccc(cc1)Cl

STK578024
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2,5-dimethoxyphenyl)carbonyl]-2'-(thiophen-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(c(c1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccs1)C(=O)Nc1c2cccc1)cccc3)OC

STK578025
Synonyms: 3-[(4-bromophenyl)amino]-4-chloro-1-(naphthalen-1-yl)-1H-pyrrole-2,5-dione
Smiles: Brc1ccc(cc1)NC1=C(Cl)C(=O)N(C1=O)c1cccc2c1cccc2

STK578026
Synonyms: N-(4-bromophenyl)-2-[(2E)-4-hydroxy-2-{[3-(trifluoromethyl)phenyl]imino}-2,5-dihydro-1,3-thiazol-5-yl]acetamide
Smiles: O=C(CC1S/C(=N/c2cccc(c2)C(F)(F)F)/N=C1O)Nc1ccc(cc1)Br

STK578028
Synonyms: 3-[(2,6-dichlorobenzyl)sulfanyl]-5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
Smiles: Cc1ccc(cc1)n1c(SCc2c(Cl)cccc2Cl)nnc1c1cccc(c1)C

STK578029
Synonyms: N,N-dimethyl-4-(11-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline
Smiles: CC1CCCc2c1c1c(s2)ncn2c1nc(n2)c1ccc(cc1)N(C)C

STK578030
Synonyms: N-[4-(butan-2-yl)phenyl]-2-{[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccccc1)C

STK578031
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STK578033
Synonyms: N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1c(C)cc(cc1Cl)C

STK578034
Synonyms: 8-(2-chlorophenyl)-4-hydroxy-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Clc1ccccc1n1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C

STK578035
Synonyms: 3-(4-fluorophenyl)-2-[(2-methoxyethyl)amino]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: COCCNc1nc2sc3c(c2c(=O)n1c1ccc(cc1)F)CCCCC3

STK578036
Synonyms: (6E)-5-imino-3-[(2-methylpropyl)sulfonyl]-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Smiles: CC(CS(=O)(=O)c1nsc2=NC(=O)/C(=C/c3c(nc4n3ccs4)c3ccccc3)/C(=N)n12)C

STK578037
Synonyms: 3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(pyridin-2-ylmethyl)propanamide
Smiles: O=C(NCc1ccccn1)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C

STK578038
Synonyms: 8-{[2-(diethylamino)ethyl]amino}-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(CCNc1nc2c(n1CC(COc1ccccc1)O)c(=O)n(c(=O)n2C)C)CC

STK578039
Synonyms: N-[4-(acetylamino)phenyl]-2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nnc(n1c1ccc(cc1)C)c1ccccc1Cl

STK578041
Synonyms: tert-butyl[(1S)-3-methyl-1-{5-[(3-methylbenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}butyl]carbamate
Smiles: CC(C[C@@H](c1nnc(o1)S(=O)(=O)Cc1cccc(c1)C)NC(=O)OC(C)(C)C)C

STK578042
Synonyms: N-(3-bromophenyl)-2-{[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Br)CSc1nnc(n1Cc1ccco1)c1ccccc1F

STK578043
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1nnc(n1C)c1cccc(c1)Cl

STK578044
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cc(ccc1Cl)C(F)(F)F)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK578045
Synonyms: 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccccc1Cn1c(CN2CCN(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK578046
Synonyms: 8-(4-ethylpiperazin-1-yl)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN1CCN(CC1)c1nc2c(n1CC(COc1ccccc1C)O)c(=O)n(c(=O)n2C)C

STK578047
Synonyms: 2-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(tetrahydrofuran-2-ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)NCC1CCCO1

STK578049
Synonyms: methyl3-{[(4-fluoro-3-methylphenyl)sulfonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NS(=O)(=O)c1ccc(c(c1)C)F)cccc2

STK578050
Synonyms: 2-hydroxy-N-(2-methyl-4-nitrophenyl)-5-oxo-3,4,5,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: OC1=NC2=C(C(C1)C(=O)Nc1ccc(cc1C)[N+](=O)[O-])C(=O)CCC2

STK578053
Synonyms: N-[6-methyl-4-(4-methylphenyl)-5-oxo-2-phenyl-2,5-dihydropyridazin-3-yl]butanamide
Smiles: CCCC(=O)Nc1c(c2ccc(cc2)C)c(=O)c(nn1c1ccccc1)C

STK578054
Synonyms: 2-{[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)C

STK578055
Synonyms: 3-benzyl-10-methyl-2-(thiophen-2-yl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: O=c1n(Cc2ccccc2)c(nc2c1c(=O)c1ccccc1n2C)c1cccs1

STK578056
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(2,5-dimethoxyphenyl)carbonyl]-3'-(thiophen-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(c(c1)C(=O)[C@@H]1[C@@H](C(=O)c2cccs2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)OC

STK578058
Synonyms: 3-(2,3-dimethylphenyl)-2',6'-dihydroxy-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)c1cccc(c1C)C)[N+](=O)[O-]

STK578060
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(diethylamino)phenyl]acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1C)c1cccc(c1)Cl)CC

STK578061
Synonyms: 6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-ylN-(tert-butoxycarbonyl)norvalinate
Smiles: CCCC(C(=O)Oc1ccc2c(c1C)oc(=O)c1c2CCC1)NC(=O)OC(C)(C)C

STK578062
Synonyms: 1-phenyl-2-(10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-ylsulfanyl)ethanone
Smiles: O=C(c1ccccc1)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CCCC3

STK578063
Synonyms: 8-(3-chlorophenyl)-2-[(2-methoxyphenoxy)methyl]-11-(2-methoxyphenyl)-10-methyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccccc1C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)COc1ccccc1OC)c1cccc(c1)Cl

STK578065
Synonyms: 2-methyl-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCCOc1ccc(cc1)C1N(C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK578066
Synonyms: 3-(4-fluorobenzyl)-9-(4-fluorophenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Fc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1ccc(cc1)F

STK578068
Synonyms: (2E)-N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-2-enamide
Smiles: COc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)Cl

STK578071
Synonyms: 2-(4-bromophenyl)-3-{2-[2-(2-chloro-4,6-dimethylphenoxy)ethoxy]ethyl}quinazolin-4(3H)-one
Smiles: Brc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOCCOc1c(C)cc(cc1Cl)C

STK578072
Synonyms: 2-[(3a'S,6a'R)-5-fluoro-3'-(4-hydroxybenzyl)-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(sc2c1CCCC2)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cc(F)cc2

STK578073
Synonyms: 12,12-dimethyl-7-(prop-2-en-1-ylsulfanyl)-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
Smiles: C=CCSc1nnc2n1c1sc3c(c1c1n2ncn1)CC(OC3)(C)C

STK578074
Synonyms: (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCCCN1C(=O)N=C(/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)/C1=O)O

STK578076
Synonyms: N-(1-butyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-N-methylbenzenesulfonamide
Smiles: CCCCc1nnc2n1c1ccccc1nc2N(S(=O)(=O)c1ccccc1)C

STK578079
Synonyms: (3S,3'S,3a'R,6a'S)-7-chloro-3'-(2-methylpropyl)-5'-(tetrahydrofuran-2-ylmethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CC(C[C@@H]1N[C@]2([C@@H]3[C@H]1C(=O)N(C3=O)CC1CCCO1)C(=O)Nc1c2cccc1Cl)C

STK578080
Synonyms: (5E)-5-{1-[(4-fluorobenzyl)amino]ethylidene}-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)CN/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O)/C

STK578081
Synonyms: (2'S,3S,3'S,10b'R)-2'-{[2-(prop-2-en-1-yloxy)phenyl]carbonyl}-3'-(thiophen-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: C=CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2cccs2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK578082
Synonyms: (4E)-2-(2-nitrophenyl)-4-{[(pyridin-2-ylmethyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: O=C1/C(=C/NCc2ccccn2)/c2ccccc2C(=O)N1c1ccccc1[N+](=O)[O-]

STK578083
Synonyms: (3S)-N-{(2S)-4-(methylsulfanyl)-1-oxo-1-[(1-phenylethyl)amino]butan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CSCC[C@@H](C(=O)NC(c1ccccc1)C)NC(=O)[C@H]1NCc2c(C1)cccc2

STK578084
Synonyms: (3aS,4R,4aS,7aR,8R,8aS)-6-(4-acetylphenyl)-3-(2-chlorophenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1O[C@@H]2[C@@H]2[C@H]1C(=NO2)c1ccccc1Cl

STK578085
Synonyms: N-(furan-2-ylmethyl)-2-[(11-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]acetamide
Smiles: CC1CCc2c(C1)sc1c2c2ncnn2c2n1c(SCC(=O)NCc1ccco1)nn2

STK578086
Synonyms: 2-amino-6-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-3,5-dihydro-4H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: COc1cc(ccc1O)C1C2=C(O)c3c(C2=Nc2c1c(=O)[nH]c(n2)N)cccc3

STK578087
Synonyms: 4-(2-methylpropyl)-7-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: CC(Cc1nc2oc3c(c2c2c1CCC2)ncnc3N1CCNCC1)C

STK578088
Synonyms: 4-({(E)-[3-(benzyloxy)phenyl]methylidene}amino)-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)OCc1ccccc1

STK578089
Synonyms: 5-(3-methoxyphenyl)-4-{[(E)-(3-methylthiophen-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1sccc1C

STK578090
Synonyms: 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)F)nnc1c1ccccc1Cl

STK578091
Synonyms: N-(3-cyanophenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
Smiles: N#Cc1cccc(c1)NC(=O)CN1CCc2c(C1)cc(c(c2)OC)OC

STK578093
Synonyms: 8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCC1CCCCN1Cc1nc2c(n1CCN1CCOCC1)c(=O)n(c(=O)n2C)C

STK578094
Synonyms: (3a'S,6a'R)-5-bromo-5'-(butan-2-yl)-3'-(propan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(C)C)C(=O)Nc2c1cc(Br)cc2)C

STK578095
Synonyms: N-(2,4-dimethylphenyl)-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: Cc1ccc(c(c1)C)N(S(=O)(=O)c1ccccc1)Cc1cc2cccc(c2[nH]c1=O)C

STK578096
Synonyms: 1-(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)-3-(2-phenylethyl)thiourea
Smiles: S=C(Nc1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C)NCCc1ccccc1

STK578097
Synonyms: N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-4,5-dimethoxy-1H-indole-2-carbohydrazide
Smiles: COc1cccc(c1O)/C=N/NC(=O)c1cc2c([nH]1)ccc(c2OC)OC

STK578098
Synonyms: N-(4-methoxyphenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)COc1ccccc1

STK578100
Synonyms: (1'S,3R,3'S,7a'S)-5''-chloro-7''-methyl-1'-{[3-(prop-2-en-1-yloxy)phenyl]carbonyl}-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: C=CCOc1cccc(c1)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(Cl)cc1C

STK578103
Synonyms: (4E)-2-(2,4-dimethoxyphenyl)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccc(c(c1)OC)N1C(=O)/C(=C/NC2CCS(=O)(=O)C2)/c2c(C1=O)cccc2

STK578104
Synonyms: 1-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-nitroquinolin-2(1H)-one
Smiles: COc1ccccc1N1CCN(CC1)c1c([N+](=O)[O-])c(=O)n(c2c1cccc2)CC

STK578105
Synonyms: 8-bromo-4-(4-methoxyphenoxy)[1]benzofuro[3,2-d]pyrimidine
Smiles: COc1ccc(cc1)Oc1ncnc2c1oc1c2cc(cc1)Br

STK578106
Synonyms: 2-(3-methoxypropyl)-2,3-dihydro-1H-isoindol-1-imine
Smiles: COCCCN1Cc2c(C1=N)cccc2

STK578107
Synonyms: 4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-(3-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(ccc1OCc1ccccc1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)C

STK578109
Synonyms: 3-benzyl-1-[2-(pyrrolidin-1-yl)ethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: O=c1n(Cc2ccccc2)c(=O)c2c(n1CCN1CCCC1)sc1c2CCCCC1

STK578113
Synonyms: (4-bromophenyl)(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)methanone
Smiles: Brc1ccc(cc1)C(=O)N1CCC2(CC1)NCCc1c2[nH]cn1

STK578116
Synonyms: (2E,5Z)-2-[(4-fluorophenyl)imino]-5-[(1-methyl-1H-indol-3-yl)methylidene]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: Fc1ccc(cc1)/N=C\1/S/C(=C\c2cn(c3c2cccc3)C)/C(=N1)O

STK578120
Synonyms: N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenyl-2,5-dihydropyridazin-3-yl]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1n(nc(c(=O)c1c1ccccc1)C)c1ccc(cc1)Cl

STK578122
Synonyms: N-benzyl-4,5,6-trimethoxy-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)NCc1ccccc1

STK578123
Synonyms: (5E)-6-hydroxy-3-(4-methylphenyl)-5-{1-[(1-phenylethyl)amino]ethylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)N=C(/C(=C(\NC(c2ccccc2)C)/C)/C1=O)O

STK578124
Synonyms: (4E)-4-{[(2-hydroxyethyl)amino]methylidene}-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: OCCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccccc1[N+](=O)[O-]

STK578125
Synonyms: methyl[(5-{(1S)-1-[(tert-butoxycarbonyl)amino]-3-methylbutyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
Smiles: COC(=O)CSc1nnc(o1)[C@@H](NC(=O)OC(C)(C)C)CC(C)C

STK578126
Synonyms: 6-methyl-2-[(3-methylbenzyl)sulfanyl]-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
Smiles: N#Cc1c(SCc2cccc(c2)C)nc2c(c1c1cccs1)CN(CC2)C

STK578128
Synonyms: (5Z)-5-({3-[2-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC(Oc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(C)C)c1ccccc1)C

STK578129
Synonyms: N-(1-hydroxybutan-2-yl)-5,11-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CCC(NC(=O)c1nn2c(n1)c1c(nc2C)sc2c1C(C)CCC2)CO

STK578130
Synonyms: (4E)-1-butyl-5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Smiles: CCCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1)Cl

STK578132
Synonyms: 3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one
Smiles: O=C([C@@H](n1nnc2c(c1=O)cccc2)C)N1CCCCCC1

STK578133
Synonyms: 1,7-dimethyl-9-(4-methylphenyl)-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CC1CN(c2ccc(cc2)C)c2n(C1)c1c(n2)n(C)c(=O)n(c1=O)CC(=O)C

STK578135
Synonyms: N-(4-chlorophenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc(n1c1ccccc1)c1nccnc1

STK578137
Synonyms: 3-(3-chlorophenyl)-2-[(2-methoxyethyl)amino]-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: COCCNc1nc2sc3c(c2c(=O)n1c1cccc(c1)Cl)CCN(C3)C

STK578139
Synonyms: 2-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Smiles: N#Cc1c(SCCN2CCCCC2)nc2c(c1C(F)(F)F)CCCCC2

STK578140
Synonyms: N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-4,6-dimethoxy-1H-indole-2-carbohydrazide
Smiles: COc1cc(OC)c2c(c1)[nH]c(c2)C(=O)N/N=C/c1cccc(c1O)OC

STK578141
Synonyms: 6,8-dibromo-2,4-dihydroxy-N-(2-methoxybenzyl)quinoline-3-carboxamide
Smiles: COc1ccccc1CNC(=O)c1c(O)nc2c(c1O)cc(cc2Br)Br

STK578142
Synonyms: 4-(2-methoxyphenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1)c1n[nH]c(c1)c1n[nH]c(=S)n1c1ccccc1OC

STK578143
Synonyms: (3a'R,8b'S)-5-bromo-2'-(2-methoxyethyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(N3C2CCC3)C(=O)Nc2c1cc(Br)cc2

STK578146
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1F)F)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK578148
Synonyms: (3a'S,6a'R)-5-fluoro-5'-(4-methoxybenzyl)-3'-(propan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(C)C)C(=O)Nc2c1cc(F)cc2

STK578153
Synonyms: N-(3-chloro-4-fluorophenyl)-2-{[4-(4-methoxyphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)Cl)F)nnc1c1ccccn1

STK578157
Synonyms: 4-[(2E)-2-{[5-(2,4-dichlorophenyl)furan-2-yl]methylidene}hydrazinyl]benzoicacid
Smiles: Clc1ccc(c(c1)Cl)c1ccc(o1)/C=N/Nc1ccc(cc1)C(=O)O

STK578158
Synonyms: (3S,3'S,3a'R,6a'S)-5-chloro-3'-(propan-2-yl)-5'-(prop-2-en-1-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(N[C@H]2C(C)C)C(=O)Nc2c1cc(Cl)cc2

STK578160
Synonyms: methyl4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/NC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N

STK578161
Synonyms: 2-(morpholin-4-ium-4-yl)-5-[(2,4,5-trimethoxybenzyl)amino]benzoate
Smiles: COc1cc(OC)c(cc1CNc1ccc(c(c1)C(=O)[O-])[NH+]1CCOCC1)OC

STK578164
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
Smiles: COc1ccc(cc1)C(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK578165
Synonyms: 3-(4-fluorophenyl)-1',3'-dimethyl-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: Fc1ccc(cc1)N1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)N(C)C(=O)N(C1=O)C

STK578167
Synonyms: N-[4-(butan-2-yl)phenyl]-2-{[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(CC)C)nnc1c1cccc(c1)OC

STK578171
Synonyms: 2,2,5-trimethyl-N-(pyridin-4-ylmethyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-amine
Smiles: Cc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCc1ccncc1

STK578172
Synonyms: 3-[(2,6-difluorobenzyl)sulfanyl]-4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazole
Smiles: CCn1c(nnc1c1cccc(c1)C)SCc1c(F)cccc1F

STK578175
Synonyms: 1'-hexyl-1,2,3,4,5,5a-hexahydro-2'H,7H,8H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[1,2-a]azepine-6,5'-pyrimidine]-2',4',6',8(1'H,3'H)-tetrone
Smiles: CCCCCCN1C(=O)NC(=O)C2(C1=O)Cc1c(N3C2CCCCC3)nc2n(c1=O)cccc2

STK578176
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide
Smiles: CCc1cccc(c1NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl)C

STK578177
Synonyms: propan-2-yl{[3-cyano-4,6-di(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetate
Smiles: N#Cc1c(SCC(=O)OC(C)C)nc(cc1c1cccs1)c1cccs1

STK578178
Synonyms: 7-(2,3-dihydroxypropyl)-6-hydroxy-8-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OCC(Cn1c(N/N=C/c2ccc(cc2)OC)nc2c1c(O)nc(=O)n2C)O

STK578179
Synonyms: 7'-{(E)-[4-hydroxy-2,6-dioxo-1-(4-phenylbutan-2-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-t
Smiles: CC(N1C(=O)N=C(/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O)CCc1ccccc1

STK578180
Synonyms: N-(3,5-dimethoxyphenyl)-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(OC)cc(c2)OC)nnc1c1cccc(c1)C

STK578182
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1c1ccccc1)c1cnccn1

STK578183
Synonyms: 8-[4-(2,4-dichlorobenzyl)piperazin-1-yl]-7-ethyl-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1ccc(cc1Cl)Cl

STK578186
Synonyms: 2-[(4-methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
Smiles: O=C(COc1ccc2c(c1C)oc(=O)c1c2cccc1)NCCCN1CCCC1=O

STK578187
Synonyms: 5-[3-(benzyloxy)phenyl]-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1cccc(c1)OCc1ccccc1)N/N=C/c1ccc(cc1)C(C)C

STK578189
Synonyms: N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)OC)C

STK578191
Synonyms: N-benzyl-8-ethyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: CCN1CCc2c(C1)sc1c2c(NCc2ccccc2)nc2n1nnn2

STK578192
Synonyms: 8-(4-fluorophenyl)-1-methyl-3-[2-(morpholin-4-yl)ethyl]-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: Fc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CCN1CCOCC1

STK578196
Synonyms: (5Z)-1-(3-chlorophenyl)-5-{5-[4-(dimethylamino)phenyl]pyrazolidin-3-ylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Clc1cccc(c1)N1C(=O)NC(=O)/C(=C\2/NNC(C2)c2ccc(cc2)N(C)C)/C1=O

STK578197
Synonyms: 2-[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
Smiles: O=C(COc1cc2oc(=O)cc(c2cc1Cl)C)NCCCN1CCCC1=O

STK578198
Synonyms: 2-(2-bromophenyl)-9-methyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccccc1Br

STK578199
Synonyms: (1Z)-5-(4-chloro-3-methylphenoxy)-1-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)pentan-2-one
Smiles: O=C(/C=C/1\NCCc2c1cc1OCOc1c2)CCCOc1ccc(c(c1)C)Cl

STK578200
Synonyms: 10-(3-hydroxyphenyl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: Oc1cccc(c1)C1OCCn2c1c1c(c2c2cccc(c2)[N+](=O)[O-])c(=O)n(c(=O)n1C)C

STK578202
Synonyms: 1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CCCN(C1)Cc1nc2c(n1C(C(=O)C)C)c(=O)n(c(=O)n2C)C

STK578203
Synonyms: (4Z)-2-(3-iodophenyl)-4-(2,3,4-trimethoxybenzylidene)-1,3-oxazol-5(4H)-one
Smiles: COc1c(ccc(c1OC)OC)/C=C/1\N=C(OC1=O)c1cccc(c1)I

STK578204
Synonyms: N-(1'-tert-butyl-2',4',6'-trioxo-1',3',4',6',6a,7,8,9,10,11-decahydro-2'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidin]-3-yl)propanamide
Smiles: CCC(=O)Nc1ccc2c(c1)CC1(C3N2CCCCC3)C(=O)NC(=O)N(C1=O)C(C)(C)C

STK578205
Synonyms: (7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)[2-(thiophen-2-yl)quinolin-4-yl]methanone
Smiles: CC1c2cc3OCCCOc3cc2CCN1C(=O)c1cc(nc2c1cccc2)c1cccs1

STK578206
Synonyms: N-(3,5-dimethylphenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)cc(c2)C)nnc1Cc1cccs1

STK578207
Synonyms: N-(2-fluorophenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(n1c1ccc(cc1)C)COc1ccc(cc1)C

STK578208
Synonyms: 4-{(2E)-2-[(1,2-dimethyl-1H-indol-3-yl)methylidene]hydrazinyl}benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/N=C/c1c(C)n(c2c1cccc2)C

STK578209
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dichlorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STK578210
Synonyms: 3-heptyl-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl2-methylpropanoate
Smiles: CCCCCCCn1cc(c2c1nc(C(C)C)n1c2nc2c1cccc2)OC(=O)C(C)C

STK578211
Synonyms: 4-(9-benzyl-5-methyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol
Smiles: Oc1ccc(cc1)c1nn2c(n1)c1c(nc2C)sc2c1CCN(C2)Cc1ccccc1

STK578213
Synonyms: 4-(4-methoxyphenyl)-9-(pyridin-2-yl)-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)c1ccccn1

STK578215
Synonyms: 2-{[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)C)nnc1c1cccc(c1)C

STK578216
Synonyms: (6E)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-3-(methylsulfanyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Smiles: CSc1nsc2=NC(=O)/C(=C/c3coc4c(c3=O)cc(cc4)Cl)/C(=N)n12

STK578218
Synonyms: (4Z)-6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-[(3-methylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Fc1ccc(cc1)N1CCN(CC1)Cc1nc(N)n/c(=N\c2cccc(c2)C)/[nH]1

STK578219
Synonyms: 2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(c(c1)Cl)Cl

STK578220
Synonyms: 6-(2-chlorobenzyl)-9-methoxy-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one
Smiles: COc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2Cc1ccccc1Cl

STK578223
Synonyms: (4E)-1-butyl-4-[hydroxy(4-nitrophenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione
Smiles: CCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)[N+](=O)[O-])/O)/C1c1ccccc1[N+](=O)[O-]

STK578224
Synonyms: 2-[4-(2-fluorophenyl)piperazin-1-yl]-9-methyl-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2F)/C1=O

STK578225
Synonyms: 3-(4-tert-butylphenyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole
Smiles: Cn1c(nnc1c1ccc(cc1)C(C)(C)C)SCc1cccc(c1)C(F)(F)F

STK578228
Synonyms: 6-(3,4-dimethoxyphenyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: COc1cc(ccc1OC)n1cc2c(c1c1ccccc1)c(=O)n(c(=O)n2C)C

STK578229
Synonyms: (3a'S,6a'R)-5'-cycloheptyl-5-fluoro-3'-(1-hydroxyethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CC(C1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCCCC1)C(=O)Nc1c2cc(F)cc1)O

STK578230
Synonyms: 6-(2-methylphenyl)-9-[4-(propan-2-yl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CC(c1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1C)C

STK578231
Synonyms: N-[(2Z)-3-(4-chlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclopropanecarboxamide
Smiles: Clc1ccc(cc1)N1/C(=N/C(=O)C2CC2)/SC2C1CS(=O)(=O)C2

STK578232
Synonyms: (3a'S,6a'R)-5-fluoro-5'-(2-methoxyethyl)-3'-(2-methylpropyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(C)C)C(=O)Nc2c1cc(F)cc2

STK578233
Synonyms: 5-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-ol
Smiles: Cc1nc(nc(c1Cc1ccccc1)O)N1CCN(CC1)c1ccccc1

STK578234
Synonyms: (6E)-6-{[1-(2,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-(morpholin-4-yl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1ccc(c(c1)Cl)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCOCC1

STK578235
Synonyms: N-(4-hydroxyphenyl)-1-oxo-1H-isothiochromene-3-carboxamide
Smiles: Oc1ccc(cc1)NC(=O)c1cc2ccccc2c(=O)s1

STK578238
Synonyms: (4E)-2-(5-chloro-2-methylphenyl)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: Clc1ccc(c(c1)N1C(=O)/C(=C/NC2CCS(=O)(=O)C2)/c2c(C1=O)cccc2)C

STK578239
Synonyms: N-[3-(dimethylamino)propyl]-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CN(CCCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2)C

STK578242
Synonyms: 7-(3-chlorobenzyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1Cc1cccc(c1)Cl)c(=O)n(c(=O)n2C)C

STK578243
Synonyms: 2'-(1,3-benzoxazol-2-ylamino)-7',8'-dihydro-6'H-spiro[cyclohexane-1,4'-quinazolin]-5'-ol
Smiles: OC1=C2C(=NC(=NC32CCCCC3)Nc2nc3c(o2)cccc3)CCC1

STK578244
Synonyms: N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide
Smiles: Fc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)NC(=O)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)Cl

STK578245
Synonyms: N-(naphthalen-1-ylmethyl)-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
Smiles: C1CCN(CC1)CCn1c(NCc2cccc3c2cccc3)nc2c1cccc2

STK578246
Synonyms: (E)-{2-(4-chlorophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-fluoro-4-(propan-2-yloxy)phenyl]methanolate
Smiles: C[NH+](CCCN1C(c2ccc(cc2)Cl)/C(=C(/c2ccc(c(c2)F)OC(C)C)\[O-])/C(=O)C1=O)C

STK578247
Synonyms: N-(4-bromo-2-methylphenyl)-2-{[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)Nc1ccc(cc1C)Br

STK578250
Synonyms: (3a'S,6a'R)-3'-benzyl-5-chloro-5'-(3-methoxypropyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccccc2)C(=O)Nc2c1cc(Cl)cc2

STK578251
Synonyms: 9-(3-chlorophenyl)-2,2,5-trimethyl-10-(piperazin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: Clc1cccc(c1)n1c(nc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)C)N1CCNCC1

STK578253
Synonyms: 1-methyl-8-(2-methylphenyl)-3-(3-phenylpropyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: Cc1ccccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CCCc1ccccc1

STK578254
Synonyms: 2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cccc2CC)nnc1COc1ccccc1

STK578256
Synonyms: 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1c1cccc(c1)Cl

STK578259
Synonyms: 2,2-dimethyl-8-(4-methylpiperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: CN1CCN(CC1)c1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C(C)C

STK578260
Synonyms: (3E)-3-[4-(dimethylamino)benzylidene]-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Smiles: CN(c1ccc(cc1)/C=C\1/C(=O)N=c2n(C1=N)c1ccc(cc1s2)S(=O)(=O)C)C

STK578261
Synonyms: methylN-[(3-chlorophenyl)carbamoyl]-L-methioninate
Smiles: CSCC[C@@H](C(=O)OC)NC(=O)Nc1cccc(c1)Cl

STK578262
Synonyms: 3-amino-N-[(2Z)-5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-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/[nH]nc(s1)SCc1ccccc1Cl

STK578266
Synonyms: (3aR,6aS)-5-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cc(Cl)ccc1C

STK578267
Synonyms: 3-(4-chlorobenzyl)-1-methyl-8-(2-methylphenyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: Clc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccccc1C

STK578269
Synonyms: 1-[10-(3,4-dimethoxyphenyl)-8-methyl-2-(pyridin-3-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: COc1cc(ccc1OC)C1C(=C(C)Oc2c1c1nc(nn1cn2)c1cccnc1)C(=O)C

STK578270
Synonyms: 2-(6-methoxy-1,3-benzothiazol-2-yl)-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)cccc1

STK578271
Synonyms: (3S,3'S,3a'R,6a'S)-3'-(3,4-dihydroxybenzyl)-5-fluoro-5'-(tetrahydrofuran-2-ylmethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Fc1ccc2c(c1)[C@]1(N[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)CC1CCCO1)Cc1ccc(c(c1)O)O)C(=O)N2

STK578273
Synonyms: 1-[3-(benzyloxy)phenyl]-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1cccc(c1)OCc1ccccc1)c1noc(c1)C

STK578275
Synonyms: methyl[(9-hydroxy-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl)sulfanyl]acetate
Smiles: COC(=O)CSc1nn2c(n1)nc1c(c2O)CCCC1

STK578278
Synonyms: N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanamine
Smiles: Cn1c(CNC(C23CC4CC(C3)CC(C2)C4)C)nc2c1cccc2

STK578279
Synonyms: 1'-(2,2-dimethoxyethyl)-3-(3,5-dimethylphenyl)-6-hydroxy-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: COC(CN1CC2(Cc3c1ccc(c3)[N+](=O)[O-])C(=NC(=O)N(C2=O)c1cc(C)cc(c1)C)O)OC

STK578280
Synonyms: 5-methoxy-1,2-dimethyl-N-(2-phenylethyl)-1H-indole-3-carboxamide
Smiles: COc1ccc2c(c1)c(C(=O)NCCc1ccccc1)c(n2C)C

STK578282
Synonyms: 3-cyclohexyl-1-[3-(dimethylamino)propyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: CN(CCCn1c(=O)n(C2CCCCC2)c(=O)c2c1sc1c2CCCCC1)C

STK578283
Synonyms: 1-(4-methoxyphenyl)-6-(propan-2-yl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: COc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)C(C)C

STK578284
Synonyms: N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)acetohydrazide
Smiles: O=C(CC1C(=NN=C1O)C)N/N=C/c1ccc(cc1)N(C)C

STK578286
Synonyms: ethyl2-[(2Z)-1,3-benzoxazol-2(3H)-ylideneamino]-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
Smiles: CCOC(=O)c1cnc(nc1CSc1nnnn1c1ccccc1)/N=c/1\oc2c([nH]1)cccc2

STK578288
Synonyms: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CNc1nc2c(n1CC(COc1cccc(c1)C)O)c(=O)n(c(=O)n2C)C

STK578290
Synonyms: methyl2-methyl-4-(3,4,5-trimethoxyphenyl)-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Smiles: COC(=O)C1=C(C)N=c2n(C1c1cc(OC)c(c(c1)OC)OC)c1ccccc1[nH]2

STK578292
Synonyms: N'-[(E)-(2-hydroxy-6-methylquinolin-3-yl)methylidene]-4-methylbenzenesulfonohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)N/N=C/c1cc2cc(C)ccc2nc1O

STK578293
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
Smiles: CCc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1Cc1ccco1

STK578294
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(2,3-dimethylphenyl)-7-ethyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1C)C

STK578295
Synonyms: (2Z)-N-phenyl-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanethioamide
Smiles: S=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)Nc1ccccc1

STK578296
Synonyms: 5-(2-methylpropyl)-8-(piperazin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinoline
Smiles: CC(Cc1nc2oc3c(c2c2c1CCCC2)ncnc3N1CCNCC1)C

STK578297
Synonyms: (5-bromo-3-methyl-1H-indol-2-yl)[4-(4-methoxyphenyl)piperazin-1-yl]methanone
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)c1[nH]c2c(c1C)cc(cc2)Br

STK578298
Synonyms: 2-[11-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol
Smiles: COc1ccccc1C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccccc1O)c1ccccc1

STK578299
Synonyms: 3-[(3a'S,6a'R)-7-chloro-5'-(4-fluorobenzyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoicacid
Smiles: OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc(cc1)F)C(=O)Nc1c2cccc1Cl

STK578300
Synonyms: (4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenylpyrrolidine-2,3-dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)c1nnc(s1)C)/O

STK578301
Synonyms: 2-(3-tert-butyl-4,9-dimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl)-N-(pyridin-4-ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C(C)(C)C)NCc1ccncc1

STK578302
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylmorpholine-4-carboxamide
Smiles: CCN(C(=O)N1CCOCC1)C1CCS(=O)(=O)C1

STK578303
Synonyms: 1-benzyl4-(3,4-dimethyl-2-oxo-2H-chromen-7-yl)piperidine-1,4-dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OCc1ccccc1)Oc1ccc2c(c1)oc(=O)c(c2C)C

STK578304
Synonyms: ethyl2-({[3-(ethoxycarbonyl)-4-(4-methylphenyl)thiophen-2-yl]carbamoyl}amino)-4-(4-methylphenyl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)Nc1scc(c1C(=O)OCC)c1ccc(cc1)C

STK578306
Synonyms: 2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK578307
Synonyms: (5S)-5-benzyl-3-[2-(morpholin-4-yl)ethyl]imidazolidine-2,4-dione
Smiles: O=C1N[C@H](C(=O)N1CCN1CCOCC1)Cc1ccccc1

STK578308
Synonyms: N-[(3,4-dichlorophenyl)carbamoyl]-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1ccc(c(c1)Cl)Cl

STK578312
Synonyms: (4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C\1/C(c2ccc(c(c2)OC)OC)N(C(=O)C1=O)c1ccc(cc1)OC)/O

STK578313
Synonyms: 3-(3-chlorophenyl)-10-methyl-2-phenylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: Clc1cccc(c1)n1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccccc1

STK578314
Synonyms: 4-{[(E)-(3-methylthiophen-2-yl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1sccc1C

STK578315
Synonyms: 6,8-dibromo-2,4-dihydroxy-N-octylquinoline-3-carboxamide
Smiles: CCCCCCCCNC(=O)c1c(O)nc2c(c1O)cc(cc2Br)Br

STK578316
Synonyms: N-[(2E)-4,8-dimethylquinazolin-2(1H)-ylidene]-5-[3-(morpholin-4-yl)propyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: Cc1cccc2c1[nH]/c(=N\C1=NCN(CN1)CCCN1CCOCC1)/nc2C

STK578317
Synonyms: (2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)-N-[4-(propan-2-yl)phenyl]butanamide
Smiles: CC([C@H](n1cnc2c(c1=O)cccc2)C(=O)Nc1ccc(cc1)C(C)C)C

STK578318
Synonyms: 3-[(2,6-difluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole
Smiles: C=CCn1c(SCc2c(F)cccc2F)nnc1Cc1cccs1

STK578319
Synonyms: 4-methoxy-N-(2-methoxyethyl)-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COCCN(C(=O)c1ccc(cc1)OC)Cc1cc2cccc(c2[nH]c1=O)C

STK578320
Synonyms: 8-[4-(2-fluorobenzyl)piperazin-1-yl]-6-hydroxy-3-methyl-7-(2-methylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1ccccc1F)C

STK578321
Synonyms: 7-chloro-1-(3-fluorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1cccc(c1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK578322
Synonyms: methylN-[(4-carbamoylpiperidin-1-yl)carbonyl]-L-methioninate
Smiles: COC(=O)[C@@H](NC(=O)N1CCC(CC1)C(=O)N)CCSC

STK578323
Synonyms: (4E)-5-(4-chlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Smiles: Clc1ccc(cc1)C1N(c2nnc(s2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK578324
Synonyms: 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl2-{[(benzyloxy)carbonyl]amino}butanoate
Smiles: CCC(C(=O)Oc1cc2oc(=O)cc(c2cc1Cl)CCCC)NC(=O)OCc1ccccc1

STK578325
Synonyms: 7-(2-chlorophenyl)-3-(3,4-dimethoxyphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: COc1cc(ccc1OC)c1nnc2n1cnc1c2cnn1c1ccccc1Cl

STK578327
Synonyms: 2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
Smiles: O=C(NC1CC(C)(C)NC(C1)(C)C)COc1cc(C)cc2c1c1CCCc1c(=O)o2

STK578328
Synonyms: 3,3-dimethyl-16-[4-(propan-2-yl)phenyl]-2,3,4,6,7,11,12,16-octahydro-1H,10H-[1,4]dioxepino[2',3':6,7]isoquino[2,1-a]quinolin-1-one
Smiles: O=C1CC(C)(C)CC2=C1C(C=C1N2CCc2c1cc1OCCCOc1c2)c1ccc(cc1)C(C)C

STK578329
Synonyms: (5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-(4-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=NC(=O)/C(=C\NCCCn2ccnc2)/C1=O)S

STK578331
Synonyms: (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-3-(3-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: Cc1cccc(c1)N1C(=O)N=C(/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)/C1=O)O

STK578332
Synonyms: 2-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(SCC(=O)Nc3cccc(c3)OC)nc(nc1s2)SC

STK578333
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nnc(n1C)c1cccc(c1)Cl

STK578334
Synonyms: 3-(3-chlorophenyl)-10-methyl-2-(thiophen-2-yl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: Clc1cccc(c1)n1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1cccs1

STK578335
Synonyms: (4Z)-2-(2-chlorophenyl)-4-[2-(4-methoxyphenyl)-4H-chromen-4-ylidene]-1,3-oxazol-5(4H)-one
Smiles: COc1ccc(cc1)C1=C/C(=C\2/N=C(OC2=O)c2ccccc2Cl)/c2c(O1)cccc2

STK578336
Synonyms: 4,5,6-trimethoxy-N-(quinolin-3-yl)-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)Nc1cnc2c(c1)cccc2

STK578337
Synonyms: 3-(2,4-difluorophenyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
Smiles: Fc1ccc(c(c1)F)N1COc2c(C1)c1oc(=O)c3c(c1cc2)CCC3

STK578339
Synonyms: (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanamide
Smiles: COc1cc(OC)c(cc1NC(=O)[C@@H](n1cnc2c(c1=O)cccc2)C(C)C)Cl

STK578340
Synonyms: N'-(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)-N,N-dimethylpropane-1,3-diamine
Smiles: CN(CCCNc1ncnc2c1oc1c2cc2c(n1)CC(OC2)(C)C)C

STK578341
Synonyms: 1-(3-fluorophenyl)-2-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)C(C)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK578343
Synonyms: N-(3-bromophenyl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Br)CSc1nnc(n1c1ccc(cc1)C)c1cnccn1

STK578346
Synonyms: 2-[(3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide
Smiles: N#Cc1c(sc2c1CCCC2)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cc(C)cc2Cl

STK578347
Synonyms: N'-[(E)-(6-chloro[1,3]dioxolo[4,5-g]quinolin-7-yl)methylidene]-2-hydroxybenzohydrazide
Smiles: Clc1nc2cc3OCOc3cc2cc1/C=N/NC(=O)c1ccccc1O

STK578348
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(3,4-dimethylphenyl)-7-ethyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(c(c1)C)C

STK578349
Synonyms: (4E)-5-(4-bromophenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(4-methylphenyl)pyrrolidine-2,3-dione
Smiles: Brc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1c1ccc(cc1)C

STK578351
Synonyms: (E)-{1-[2-(diethylammonio)ethyl]-2-[3-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C1c1cccc(c1)OCCC(C)C)CC

STK578353
Synonyms: 7-chloro-1',3'-dimethyl-3-phenyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1c(Cl)cccc1N1C2CN(CC1)c1ccccc1

STK578355
Synonyms: 8-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-3-methyl-7-(3-methylbutyl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(CCn1c(CN2CCN(CC2)Cc2ccccc2)nc2c1c(O)nc(=O)n2C)C

STK578357
Synonyms: ethylN-({[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccc1OC

STK578359
Synonyms: 3-(4-fluorophenyl)-2-(furan-2-yl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: Fc1ccc(cc1)n1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccco1

STK578360
Synonyms: 2-(6-fluoro-1,3-benzothiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(cc(c1OC)OC)C1N(c2nc3c(s2)cc(cc3)F)C(=O)c2c1c(=O)c1c(o2)cccc1

STK578361
Synonyms: (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O

STK578362
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-fluorophenyl)methylidene]-5-{[methyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Nc1nonc1n1nnc(c1CN(c1ccccc1)C)C(=O)N/N=C/c1ccccc1F

STK578363
Synonyms: 4-({(E)-[3-(benzyloxy)phenyl]methylidene}amino)-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)OCc1ccccc1

STK578364
Synonyms: 5-(3,4-dichlorophenyl)-N'-[(1E)-1-(4-hydroxyphenyl)ethylidene]-1H-pyrazole-3-carbohydrazide
Smiles: Oc1ccc(cc1)/C(=N/NC(=O)c1n[nH]c(c1)c1ccc(c(c1)Cl)Cl)/C

STK578365
Synonyms: 4-{[(E)-(3,4-dichlorophenyl)methylidene]amino}-5-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)Cl)Cl

STK578366
Synonyms: 9-(thiophen-2-yl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: OC1=C2C(=Nc3n(C2c2cccs2)nc(n3)C(F)(F)F)CCC1

STK578368
Synonyms: 2',6'-dihydroxy-3-(2-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
Smiles: COc1ccccc1N1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=NC(=NC1=O)O)O

STK578369
Synonyms: methylN-[(3-methoxyphenyl)carbamoyl]-D-alaninate
Smiles: COC(=O)[C@H](NC(=O)Nc1cccc(c1)OC)C

STK578370
Synonyms: 2,7-bis(4-chlorophenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)c1nn2c(=NC(=CC2c2ccc(cc2)Cl)c2ccccc2)[nH]1

STK578372
Synonyms: (2,6-dimethylmorpholin-4-yl)(6-methoxy-1H-indol-2-yl)methanone
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N1CC(C)OC(C1)C

STK578374
Synonyms: 2-(5-bromo-2-methoxyphenyl)-5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazole
Smiles: COc1ccc(cc1c1[nH]c(c(n1)c1ccccc1)c1cccc(c1Cl)Cl)Br

STK578376
Synonyms: 6-hydroxy-7-(2-hydroxy-2-phenylethyl)-8-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: COc1ccc(cc1)/C=N/Nc1nc2c(n1CC(c1ccccc1)O)c(O)nc(=O)n2C

STK578378
Synonyms: N-[(2E)-3-(2,4-difluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methoxyacetamide
Smiles: COCC(=O)/N=C\1/SC2C(N1c1ccc(cc1F)F)CS(=O)(=O)C2

STK578379
Synonyms: 4-hydroxy-8-(3-hydroxypropyl)-1,7-dimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: OCCCn1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK578380
Synonyms: 7-(2-chlorophenyl)-3-(2-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Clc1ccccc1n1ncc2c1ncn1c2nnc1c1ccccc1C

STK578381
Synonyms: 2-[(4-benzylpiperazin-1-yl)methyl]quinazolin-4-ol
Smiles: Oc1nc(CN2CCN(CC2)Cc2ccccc2)nc2c1cccc2

STK578382
Synonyms: 4-ethyl-N,N-diphenylpiperazine-1-carboxamide
Smiles: CCN1CCN(CC1)C(=O)N(c1ccccc1)c1ccccc1

STK578383
Synonyms: 5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCCOc1cccc(c1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)c(Cl)cc(c1)Cl

STK578384
Synonyms: 2-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[4-(prop-2-en-1-yloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: C=CCOc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)OCC)C(=O)c2c1c(=O)c1c(o2)cccc1

STK578385
Synonyms: 8-(3,4-dimethylphenyl)-4-hydroxy-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Cc1cc(ccc1C)n1c(C)c(n2c1nc1c2c(O)nc(=O)n1C)C

STK578386
Synonyms: methylN-[(4-sulfamoylbenzyl)carbamoyl]-L-methioninate
Smiles: COC(=O)[C@@H](NC(=O)NCc1ccc(cc1)S(=O)(=O)N)CCSC

STK578387
Synonyms: (5E)-6-hydroxy-3-(2-methylphenyl)-5-{1-[(pyridin-3-ylmethyl)amino]ethylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: C/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NCc1cccnc1

STK578388
Synonyms: ethyl1-(2-formyl-4-nitrophenyl)piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)c1ccc(cc1C=O)[N+](=O)[O-]

STK578391
Synonyms: 3-(1,3-benzothiazol-2-yl)-8-{[bis(2-methylpropyl)ammonio]methyl}-4-oxo-4H-chromen-7-olate
Smiles: CC(C[NH+](Cc1c([O-])ccc2c1occ(c2=O)c1nc2c(s1)cccc2)CC(C)C)C

STK578392
Synonyms: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1'-[2-(dimethylammonio)ethyl]-1-methyl-2,4',5'-trioxo-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}methanolate
Smiles: C[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C21C(=O)N(c1c2cccc1)C)C

STK578393
Synonyms: 5-(3-chlorophenyl)-4-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(c(c1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl)OC