FULL DB

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

STK573234
Synonyms: (5E)-1-(3-chlorophenyl)-5-({[2-(morpholin-4-yl)ethyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Clc1cccc(c1)N1C(=NC(=O)/C(=C\NCCN2CCOCC2)/C1=O)S

STK573235
Synonyms: (5E)-5-(1-{[2-(cyclohex-1-en-1-yl)ethyl]amino}ethylidene)-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C(\NCCC2=CCCCC2)/C)/C(=O)N1c1ccccc1C

STK573236
Synonyms: 7-hydroxy-1-methyl-9-(4-methylphenyl)-3-(2-methylprop-2-en-1-yl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CC(=C)Cn1c(=O)n(C)c2c(c1=O)n1CC(O)CN(c1n2)c1ccc(cc1)C

STK573237
Synonyms: N-(2-chlorophenyl)-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamide
Smiles: O=C(Nc1ccccc1Cl)CCCCCn1nnc2c(c1=O)cccc2

STK573238
Synonyms: 2-{5-[(3-fluorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine
Smiles: COc1ccc(cc1)n1c(nnc1c1ccccn1)SCc1cccc(c1)F

STK573239
Synonyms: N-(3-chlorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1cccc(c1)Cl)cc3c1ccc(cc1)Cl

STK573240
Synonyms: (3a'S,6a'R)-5'-(4-bromophenyl)-5-fluoro-3'-(4-hydroxybenzyl)-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)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)Br)Cc1ccc(cc1)O)C(=O)N2

STK573241
Synonyms: N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)C12CCC(C1)C(C2=O)(C)C

STK573243
Synonyms: 9-(4-ethoxyphenyl)-6-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCOc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1

STK573244
Synonyms: N-(4-bromo-2-methylphenyl)-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2C)Br)nnc1c1cccc(c1)Cl

STK573245
Synonyms: N-[3-(4-methoxyphenyl)-4-oxo-4H-chromen-2-yl]-4-methylbenzamide
Smiles: COc1ccc(cc1)c1c(NC(=O)c2ccc(cc2)C)oc2c(c1=O)cccc2

STK573247
Synonyms: 4-hydroxy-2-(3-nitrophenyl)-1-phenyl-6-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
Smiles: N#CC1=C(S)N(C(N=C1O)c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK573250
Synonyms: 2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1c(C)cc(cc1C)C

STK573252
Synonyms: 2,5,11-trimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1nn2c(n1)c1c(nc2C)sc2c1C(C)CCC2

STK573253
Synonyms: 6-ethyl-4-(4-ethylpiperazin-1-yl)-2-methylthieno[2,3-d]pyrimidine
Smiles: CCN1CCN(CC1)c1nc(C)nc2c1cc(s2)CC

STK573254
Synonyms: 4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)Br)OC

STK573255
Synonyms: N-(4-methylphenyl)-N~2~-[(1-{N-[(4-methylphenyl)sulfonyl]-L-valyl}piperidin-4-yl)carbonyl]-L-leucinamide
Smiles: Cc1ccc(cc1)NC(=O)[C@@H](NC(=O)C1CCN(CC1)C(=O)[C@H](C(C)C)NS(=O)(=O)c1ccc(cc1)C)CC(C)C

STK573256
Synonyms: 7-(2,5-dimethylbenzyl)-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(c(c1)Cn1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C)C

STK573257
Synonyms: (3S,3a'R,8a'S,8b'S)-5-chloro-2'-(3,4-dimethylphenyl)-7-methyl-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: Clc1cc(C)c2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(c(c1)C)C

STK573260
Synonyms: methylN-[(1E)-1-(1-benzyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propyl]tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C(=C/1\C(=NC(=O)N(C1=O)Cc1ccccc1)O)/CC

STK573261
Synonyms: 10-(2-bromophenyl)-9-hydroxy-7,7-dimethyl-6,7,8,10-tetrahydro-11H-indeno[1,2-b]quinolin-11-one
Smiles: OC1=C2C(=NC3=C(C2c2ccccc2Br)C(=O)c2c3cccc2)CC(C1)(C)C

STK573262
Synonyms: 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-(3-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1OC)/C=N/n1c(=S)[nH]nc1c1cccc(c1)C

STK573263
Synonyms: (3a'S,6a'R)-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)Nc2c1cccc2)C

STK573264
Synonyms: 3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: Clc1ccc(cc1)n1c(SCc2ccccc2C)nnc1c1cccc(c1)Cl

STK573265
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(4-chlorophenyl)carbonyl]-2'-[(4-nitrophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Clc1ccc(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

STK573266
Synonyms: 1-(4-chlorophenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)nnc1COc1ccccc1

STK573268
Synonyms: 5-methyl-N-(pyridin-3-ylmethyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2C)sc2c1CCC2)NCc1cccnc1

STK573269
Synonyms: 2,2-dimethyl-5-(2-methylpropyl)-8-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: CC(Cc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3N1CCCC1)C

STK573270
Synonyms: 3-[(3a'S,6a'R)-5-fluoro-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)Nc1c2cc(F)cc1

STK573272
Synonyms: (2E)-N-[7-(4-methoxyphenyl)-5-phenyl-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-])c1ccccc1

STK573273
Synonyms: 5-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-1H-pyrazole-3-carbohydrazide
Smiles: COc1ccc(c(c1)c1[nH]nc(c1)C(=O)N/N=C/c1ccc(c(c1)OC)O)OC

STK573276
Synonyms: methyl4-[({[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nnc1c1cccc(c1)C

STK573277
Synonyms: 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
Smiles: Cc1ccc(c(c1)CSc1nnc(n1Cc1ccco1)c1ccccc1F)C

STK573278
Synonyms: 6-cyclohexyl-1-(4-fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Fc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)C1CCCCC1

STK573279
Synonyms: 3-benzyl-2-(4-ethylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCN1CCN(CC1)c1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCCC3

STK573281
Synonyms: 3-[(E)-(2-benzylhydrazinylidene)methyl]-2-chloro-6-methoxyquinoline
Smiles: COc1ccc2c(c1)cc(c(n2)Cl)/C=N/NCc1ccccc1

STK573282
Synonyms: 4-[(2E)-2-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylidene}hydrazinyl]benzoicacid
Smiles: Clc1ccccc1Cn1cc(c2c1cccc2)/C=N/Nc1ccc(cc1)C(=O)O

STK573283
Synonyms: 1-{[5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]methyl}-1H-indole-2,3-dione
Smiles: COc1ccc(cc1)C1=NN(C(C1)c1ccco1)CN1C(=O)C(=O)c2c1cccc2

STK573286
Synonyms: (4E)-5-(4-chlorophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)c1nnc(s1)C)/O

STK573288
Synonyms: methylN-[(5,6-dimethoxy-1H-indol-2-yl)carbonyl]glycinate
Smiles: COC(=O)CNC(=O)c1cc2c([nH]1)cc(c(c2)OC)OC

STK573289
Synonyms: (5E)-3-(4-ethylphenyl)-6-hydroxy-5-[(1-propyl-1H-indol-3-yl)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: CCCn1cc(c2c1cccc2)/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)CC)O

STK573290
Synonyms: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Oc1ccccc1)CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C

STK573291
Synonyms: (E)-{1-[2-(diethylammonio)ethyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/[O-])/C1c1ccc(c(c1)OC)OC)CC

STK573292
Synonyms: N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1H-indole-2-carbohydrazide
Smiles: COc1ccc(c(c1)/C=N/NC(=O)c1cc2c([nH]1)ccc(c2OC)OC)OC

STK573293
Synonyms: 6-(2-chloro-4-fluorobenzyl)-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)c1n2Cc1ccc(cc1Cl)F

STK573294
Synonyms: 9-methoxy-6-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-6H-indolo[2,3-b]quinoxaline
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1cc(C)ccc1C(C)C

STK573297
Synonyms: N-(3,5-dichlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)cc(c2)Cl)nnc1COc1ccccc1

STK573298
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-phenyl-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Smiles: O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C(N1c1nccs1)c1ccccc1

STK573299
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK573300
Synonyms: 6-hydroxy-8-[(3-hydroxypropyl)sulfanyl]-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: OCCCSc1nc2c(n1CCCc1ccccc1)c(O)nc(=O)n2C

STK573301
Synonyms: 3-(4-methoxybenzyl)-2-(thiophen-2-yl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COc1ccc(cc1)Cn1c(nc2c(c1=O)c(=O)c1c(s2)cccc1)c1cccs1

STK573302
Synonyms: (5Z)-6-hydroxy-5-{[1-(3-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-phenylpyrimidine-2,4(3H,5H)-dione
Smiles: Oc1cccc(c1)n1c(C)cc(c1C)/C=C\1/C(=NC(=O)N(C1=O)c1ccccc1)O

STK573304
Synonyms: 8-(4-ethoxyphenyl)-1-methyl-3-(3-methylbutyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: CCOc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CCC(C)C

STK573305
Synonyms: 3-(3-chlorophenyl)-2-[(2-hydroxypropyl)amino]-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CC(CNc1nc2sc3c(c2c(=O)n1c1cccc(c1)Cl)CCN(C3)C)O

STK573307
Synonyms: N-(2-fluorophenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(n1c1ccccc1)c1ccccn1

STK573309
Synonyms: (10aS)-2-(2-chlorophenyl)-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Smiles: O=C1N(C(=O)[C@H]2N1Cc1ccccc1C2)c1ccccc1Cl

STK573311
Synonyms: 4-methoxy-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-phenylbenzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)N(c1ccccc1)Cc1cc2ccccc2[nH]c1=O

STK573312
Synonyms: 2-[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]pyrimidin-2-yl]phenol
Smiles: Oc1ccccc1c1nn2c(n1)c1c(nc2)Oc2c(C1c1ccco1)c(C)nn2c1ccccc1

STK573315
Synonyms: 7-(3-chlorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Smiles: Clc1cccc(c1)N1C(=O)CC2(C1=O)ON=C(C2)c1ccc(cc1)[N+](=O)[O-]

STK573316
Synonyms: N-[(2Z)-5,5-dioxido-3-[4-(propan-2-yl)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-(thiophen-2-yl)acetamide
Smiles: O=C(/N=C/1\SC2C(N1c1ccc(cc1)C(C)C)CS(=O)(=O)C2)Cc1cccs1

STK573317
Synonyms: (1'R,2'R)-1'-acetyl-2'-(4-bromophenyl)-7'-methyl-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: Brc1ccc(cc1)[C@H]1[C@H](C(=O)C)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2ccc(c1)C

STK573318
Synonyms: 2-{[4-(4-chlorophenyl)-3-cyano-5-hydroxy-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cccc2CC)N=C2C(=C(O)CC(C2)(C)C)C1c1ccc(cc1)Cl

STK573319
Synonyms: (2'S,3S,3'S,10b'R)-2'-(1-benzofuran-2-ylcarbonyl)-3'-(pyridin-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cc4c(o1)cccc4)C(=O)Nc1c2cccc1)cccc3)c1ccccn1

STK573321
Synonyms: 6-[(2E)-2-(3,4-dichlorobenzylidene)-1-ethylhydrazinyl]-2-hydroxy-3-methylpyrimidin-4(3H)-one
Smiles: CCN(c1cc(=O)n(c(n1)O)C)/N=C/c1ccc(c(c1)Cl)Cl

STK573324
Synonyms: (1'S,3R,3'S,7a'S)-5''-chloro-1'-{[2-(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=CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(Cl)cc1

STK573325
Synonyms: 3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(3-methoxypropyl)propanamide
Smiles: COCCCNC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C

STK573326
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-fluorophenyl)methylidene]-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)F

STK573327
Synonyms: methyl{4-[7-(2-chlorobenzyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl]piperazin-1-yl}acetate
Smiles: COC(=O)CN1CCN(CC1)c1nc2c(n1Cc1ccccc1Cl)c(O)nc(=O)n2C

STK573329
Synonyms: N-butyl-4-methyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: CCCCN(S(=O)(=O)c1ccc(cc1)C)Cc1cc2cc(C)ccc2[nH]c1=O

STK573331
Synonyms: 5-(quinolin-2-yl)-4-(quinolin-6-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1ccc2c(c1)cccn2)c1ccc2c(n1)cccc2

STK573332
Synonyms: 2-{[4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK573333
Synonyms: 1-{[7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)Cc1nc2c(n1Cc1c(F)cccc1Cl)c(=O)n(c(=O)n2C)C

STK573334
Synonyms: 6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: COCCN1C(=S)S/C(=C\c2c(N3CCN(CC3)CCO)n(C)c(=O)c(c2C)C#N)/C1=O

STK573335
Synonyms: (1'S,2'S,3R,3a'R)-1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-(pyridin-2-ylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccccn1

STK573336
Synonyms: 4-(4-fluorophenyl)-7-(furan-2-yl)-5-hydroxy-2-methyl-N-(pyridin-2-yl)-4,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: Fc1ccc(cc1)C1C(=C(C)N=C2C1=C(O)CC(C2)c1ccco1)C(=O)Nc1ccccn1

STK573338
Synonyms: (6E)-6-[(4-chlorophenyl)imino]-4-(3-methyl-1-benzofuran-2-yl)-1,6-dihydro-1,3,5-triazin-2-amine
Smiles: Clc1ccc(cc1)/N=c/1\[nH]c(N)nc(n1)c1oc2c(c1C)cccc2

STK573339
Synonyms: 2-{5-[(2,5-dimethylbenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine
Smiles: Cc1ccc(c(c1)CSc1nnc(n1c1ccccc1)c1ccccn1)C

STK573341
Synonyms: (1Z)-4-[4-(morpholin-4-ylsulfonyl)phenyl]-1-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)butan-2-one
Smiles: O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)CCc1ccc(cc1)S(=O)(=O)N1CCOCC1

STK573342
Synonyms: methyl5-acetyl-2-({(Z)-2-cyano-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4-methylthiophene-3-carboxylate
Smiles: COc1ccc(cc1)c1csc(n1)/C(=C\Nc1sc(c(c1C(=O)OC)C)C(=O)C)/C#N

STK573343
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(4-nitrophenyl)carbonyl]-3'-(thiophen-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)Nc1c2cccc1)cccc3)c1cccs1

STK573346
Synonyms: 2-(1,3-benzothiazol-2-ylamino)-4-(4-fluorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinazolin-5-ol
Smiles: Fc1ccc(cc1)C1N=C(Nc2nc3c(s2)cccc3)N=C2C1=C(O)CC(C2)(C)C

STK573347
Synonyms: 2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK573348
Synonyms: 1-benzyl-2-hydroxy-6-(1-phenylethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CC(N1CNc2c(C1)c(=O)nc(n2Cc1ccccc1)O)c1ccccc1

STK573349
Synonyms: 5-(3,4-dichlorophenyl)-N'-[(1E)-1-(furan-2-yl)ethylidene]-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1)Cl)Cl)N/N=C(/c1ccco1)\C

STK573350
Synonyms: 5-(3-ethoxyphenyl)-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cc(OC)c(c(c1)OC)OC

STK573352
Synonyms: 1-(4-chlorophenyl)-N-(3-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1cccc(c1)NC(=O)c1c(c2ccc(cc2)Cl)c2c3n1cc(n3CCCC2)c1ccccc1

STK573353
Synonyms: 8-(3-methoxypropyl)-1,6,7-trimethyl-3-[(2E)-3-phenylprop-2-en-1-yl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCCn1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)C/C=C/c1ccccc1

STK573356
Synonyms: N-(2,4-dichlorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CCCn1nnc2c(c1=O)cccc2

STK573357
Synonyms: 4-{[(E)-(5-bromothiophen-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/c1ccc(s1)Br

STK573359
Synonyms: 3-(3-chlorophenyl)-5-[(4-methylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(SCc2ccc(cc2)C)nnc1c1cccc(c1)Cl

STK573362
Synonyms: N-(3,4-dimethoxyphenyl)-2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)OC)OC)nnc1COc1ccccc1

STK573363
Synonyms: 2-(benzylsulfanyl)-9-(2,3-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1c(OC)cccc1C1C2=C(O)CCCC2=Nc2n1nc(n2)SCc1ccccc1

STK573365
Synonyms: N-[(2Z)-3-(4-chloro-2-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide
Smiles: COc1cc(Cl)ccc1N1/C(=N/C(=O)C)/SC2C1CS(=O)(=O)C2

STK573367
Synonyms: methyl5-acetyl-2-({(Z)-2-cyano-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4-methylthiophene-3-carboxylate
Smiles: COc1cccc(c1)c1csc(n1)/C(=C\Nc1sc(c(c1C(=O)OC)C)C(=O)C)/C#N

STK573369
Synonyms: 3,4-diethoxy-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
Smiles: CCOc1cc(ccc1OCC)C(=O)Nc1cccc(c1)n1cnnn1

STK573371
Synonyms: {[(4-bromobenzyl)sulfanyl][(2,4-dichlorophenyl)amino]methylidene}propanedinitrile
Smiles: N#CC(=C(Nc1ccc(cc1Cl)Cl)SCc1ccc(cc1)Br)C#N

STK573373
Synonyms: N-[(2E)-3-benzyl-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methoxyacetamide
Smiles: COCC(=O)/N=C\1/SC2C(N1Cc1ccccc1)CS(=O)(=O)C2

STK573374
Synonyms: (5Z)-5-{(2E)-3-[4-(dimethylamino)phenyl]-1-hydroxyprop-2-en-1-ylidene}-6-hydroxy-3-(2-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccccc1N1C(=O)N=C(/C(=C(\C=C\c2ccc(cc2)N(C)C)/O)/C1=O)O

STK573375
Synonyms: 7-methyl-2-(pyridin-2-yl)-1-(pyridin-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1cccnc1)c1ccccn1

STK573376
Synonyms: (5E)-5-(1-{[2-(cyclohex-1-en-1-yl)ethyl]amino}propylidene)-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NCCC1=CCCCC1

STK573380
Synonyms: 2-ethyl-1-[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1ccc(cc1)O)c1ccccc1n2

STK573381
Synonyms: 3-butyl-9-(4-fluorophenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCCCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1ccc(cc1)F

STK573384
Synonyms: 3-[10-(4-chlorophenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]propanoicacid
Smiles: OC(=O)CCN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2ccc(cc2)Cl)sc(=O)[nH]1

STK573385
Synonyms: 3-(3-chlorophenyl)-4-methyl-5-[(naphthalen-1-ylmethyl)sulfanyl]-4H-1,2,4-triazole
Smiles: Clc1cccc(c1)c1nnc(n1C)SCc1cccc2c1cccc2

STK573388
Synonyms: 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-[4-(morpholin-4-ylsulfonyl)phenyl]propan-1-one
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CCc1ccc(cc1)S(=O)(=O)N1CCOCC1

STK573389
Synonyms: (4Z)-4-[2-(1,3-benzodioxol-5-yl)-4H-chromen-4-ylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5(4H)-one
Smiles: COc1ccc(cc1)C1=N/C(=C\2/C=C(Oc3c2cccc3)c2ccc3c(c2)OCO3)/C(=O)O1

STK573391
Synonyms: 3-(3-phenylpropoxy)-2-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)quinazolin-4(3H)-one
Smiles: O=C1CC(C)(C)Cc2c1c(C)nn2c1nc2ccccc2c(=O)n1OCCCc1ccccc1

STK573392
Synonyms: (3S,3'S,3a'R,6a'S)-7-chloro-3'-(4-hydroxybenzyl)-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: Oc1ccc(cc1)C[C@@H]1N[C@]2([C@@H]3[C@H]1C(=O)N(C3=O)CC1CCCO1)C(=O)Nc1c2cccc1Cl

STK573393
Synonyms: 4-{[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl}-7-methyl-2-oxo-2H-chromen-6-olate
Smiles: O=c1cc(C[NH+]2CCN(CC2)c2ccccc2F)c2c(o1)cc(c(c2)[O-])C

STK573395
Synonyms: N-(2-bromophenyl)-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Smiles: O=C(Nc1ccccc1Br)CCn1nnc2c(c1=O)cccc2

STK573396
Synonyms: 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)n1c(nnc1c1cccc(c1)OC)SCc1cc(C)ccc1C

STK573397
Synonyms: methyl{4-[7-(4-fluorobenzyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl]piperazin-1-yl}acetate
Smiles: COC(=O)CN1CCN(CC1)c1nc2c(n1Cc1ccc(cc1)F)c(O)nc(=O)n2C

STK573398
Synonyms: 7-(4-bromophenyl)-2-chloro-6-(4-chlorophenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)C1Oc2ccc(cc2C2=C1C(c1ccc(cc1)Br)n1ncnc1N2)Cl

STK573399
Synonyms: N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide
Smiles: CCC(=O)/N=C\1/SC2C(N1Cc1ccc(cc1)F)CS(=O)(=O)C2

STK573400
Synonyms: (1E)-1-(2-cyclooctylcyclohexylidene)-2-(2,4-dinitrophenyl)hydrazine
Smiles: [O-][N+](=O)c1cc(ccc1N/N=C/1\CCCCC1C1CCCCCCC1)[N+](=O)[O-]

STK573401
Synonyms: 4-methyl-9-(3,4,5-trimethoxyphenyl)-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: COc1cc(cc(c1OC)OC)N1COc2c(C1)c1oc(=O)cc(c1cc2)C

STK573402
Synonyms: 12-methyl-7-[(4-nitrobenzyl)sulfanyl]-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
Smiles: CC1CCc2c(C1)c1c(s2)n2c(SCc3ccc(cc3)[N+](=O)[O-])nnc2n2c1ncn2

STK573403
Synonyms: 3-{2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl}-2-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOCCOc1ccc(cc1C(C)(C)C)C

STK573404
Synonyms: 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Fc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)CCc1ccccc1

STK573407
Synonyms: 4-{[(E)-pyridin-4-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/c1ccncc1

STK573408
Synonyms: 4-{(2E)-2-[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)methylidene]hydrazinyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: COc1ccc2c(c1)c(/C=N/Nc1ncnc3c1c1CCCCc1s3)c(n2C)C

STK573412
Synonyms: 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylacetamide
Smiles: CN(C1CCS(=O)(=O)C1)C(=O)CN1C(=O)S/C(=C\c2ccccc2)/C1=O

STK573413
Synonyms: (4E)-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
Smiles: CSc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccc(o2)C)/O)/C1c1ccc(cc1)C

STK573414
Synonyms: N'-[(1Z)-3-amino-1H-isoindol-1-ylidene]-4-chlorobenzohydrazide
Smiles: Clc1ccc(cc1)C(=O)N/N=C/1\N=C(c2c1cccc2)N

STK573415
Synonyms: 2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C

STK573416
Synonyms: 5-fluoro-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)NCc1cccnc1

STK573418
Synonyms: 2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc(n1Cc1ccco1)Cc1cccs1

STK573419
Synonyms: (5E)-2,6-dihydroxy-5-[4-(nonyloxy)benzylidene]pyrimidin-4(5H)-one
Smiles: CCCCCCCCCOc1ccc(cc1)/C=C/1\C(=NC(=NC1=O)O)O

STK573422
Synonyms: 4-fluoro-N-[1-(furan-2-ylmethyl)-4,6-dioxo-2-sulfanyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Smiles: Fc1ccc(cc1)C(=O)NC1(C(=O)Nc2c1c(=O)nc(n2Cc1ccco1)S)C(F)(F)F

STK573424
Synonyms: {3-[5-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}aceticacid
Smiles: OC(=O)CC12CC3CC(C1)CC(C2)(C3)n1ncc(c(c1=O)Cl)Nc1ccc2c(c1)OCCO2

STK573425
Synonyms: 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]-N-(3-hydroxypropyl)propanamide
Smiles: OCCCNC(=O)C(Oc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1)C

STK573426
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(2,4-dichlorophenyl)carbonyl]-3'-(thiophen-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Clc1ccc(c(c1)Cl)C(=O)[C@@H]1[C@@H](C(=O)c2cccs2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK573431
Synonyms: (5E)-5-[1-(azepan-1-ylamino)propylidene]-6-hydroxy-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)/NN1CCCCCC1

STK573432
Synonyms: (4E)-4-{[(5-chloropyridin-2-yl)amino]methylidene}-2-(3-methylphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: Clc1ccc(nc1)N/C=C\1/C(=O)N(c2cccc(c2)C)C(=O)c2c1cccc2

STK573433
Synonyms: ethyl4-{[({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK573434
Synonyms: (5E)-3-benzyl-6-hydroxy-5-{1-[(1-phenylethyl)amino]propylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O)/NC(c1ccccc1)C

STK573435
Synonyms: 2-[(4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
Smiles: CCc1cc(=O)oc2c1c(OCC(=O)NCc1cccnc1)cc(c2)C

STK573436
Synonyms: 5-chloro-2-(methylsulfanyl)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
Smiles: CSc1ncc(c(n1)C(=O)NCc1cccnc1)Cl

STK573438
Synonyms: 2-(methylsulfanyl)-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CSc1nc2n(n1)C(c1cc(OC)c(c(c1)OC)OC)C1=C(O)CCCC1=N2

STK573439
Synonyms: 5-(4-chlorophenyl)-10-(4-methoxyphenyl)-1,3-dimethyl-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)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccc(cc1)Cl)C

STK573441
Synonyms: (10aS)-2-[2-chloro-5-(trifluoromethyl)phenyl]-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Smiles: O=C1N(C(=O)[C@H]2N1Cc1ccccc1C2)c1cc(ccc1Cl)C(F)(F)F

STK573442
Synonyms: 2-(2-hydroxy-2-phenylethyl)-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cccc(c1)C1N(CC(c2ccccc2)O)C(=O)c2c1c(=O)c1c(o2)cccc1

STK573443
Synonyms: 8-propyl-N-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: CCCN1CCc2c(C1)sc1c2c(NCc2cccnc2)nc2n1nnn2

STK573444
Synonyms: (4E)-2-(5-bromopyridin-2-yl)-4-{[(4-butylphenyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: CCCCc1ccc(cc1)N/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccc(cn1)Br

STK573445
Synonyms: 1-(4-chlorophenyl)-6-(2-phenylethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Clc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)CCc1ccccc1

STK573446
Synonyms: 7-(4-chlorophenyl)-2-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-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: COc1cc(ccc1O)C1C2C(Sc3c1sc(n3)O)C1CC2C2C1C(=O)N(C2=O)c1ccc(cc1)Cl

STK573448
Synonyms: 4-[(2,2-diethoxyethyl)sulfanyl]-6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCOC(CSc1nc(SC)nc2c1c1CC(C)(C)OCc1s2)OCC

STK573449
Synonyms: 1-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)amino]propan-2-ol
Smiles: CC(CNc1ncnc2c1oc1c2cc2c(n1)CC(OC2)(C)C)O

STK573450
Synonyms: N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-5-[4-(3-methylbutoxy)phenyl]-1H-pyrazole-3-carbohydrazide
Smiles: CC(CCOc1ccc(cc1)c1[nH]nc(c1)C(=O)N/N=C/c1c(O)ccc2c1cccc2)C

STK573452
Synonyms: (5E)-5-[2-(3-acetylphenyl)hydrazinylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
Smiles: SC1=NC(=O)/C(=N/Nc2cccc(c2)C(=O)C)/C(=N1)O

STK573453
Synonyms: 4-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(4-ethylphenyl)benzamide
Smiles: CCc1ccc(cc1)NC(=O)c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK573454
Synonyms: ethyl4-[({[4-(4-chlorophenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK573455
Synonyms: (3a'S,6a'R)-5'-(1,3-benzodioxol-5-ylmethyl)-5-chloro-3'-(3,4-dihydroxybenzyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Clc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)Cc1ccc(c(c1)O)O)C(=O)N2

STK573456
Synonyms: 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl{[(4-methylphenyl)sulfonyl]amino}(phenyl)acetate
Smiles: Cc1ccc(cc1)S(=O)(=O)NC(c1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCC1

STK573457
Synonyms: 1-benzyl2-(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)(2S)-pyrrolidine-1,2-dicarboxylate
Smiles: O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)Oc1ccc2c(c1)oc(=O)c1c2CCC1

STK573458
Synonyms: 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
Smiles: Cc1ccc(c(c1)CSc1nnc(n1c1ccccc1)c1ccccc1F)C

STK573459
Synonyms: 5-(2-methoxyphenyl)-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(F)(F)F

STK573460
Synonyms: (2'S,3R,3'S,7a'S)-7''-chloro-2'-[(4-chlorophenyl)carbonyl]-5''-methyl-5',6',7',7a'-tetrahydrodispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1[C@]2(C(=O)Nc3c2cc(C)cc3Cl)N2[C@H]([C@]31C(=O)Nc1c3cccc1)CCC2

STK573462
Synonyms: 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(Cn1c(CN2CCC(CC2)C)nc2c1c(=O)n(c(=O)n2C)C)C

STK573463
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1F

STK573465
Synonyms: 1-[5,7-bis(4-chlorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione
Smiles: Clc1ccc(cc1)C1=CC(n2c(=N1)[nH]c(n2)N1C(=O)CCC1=O)c1ccc(cc1)Cl

STK573467
Synonyms: 2-[(2-methoxyphenyl)amino]-6-methyl-5-pentylpyrimidin-4-ol
Smiles: CCCCCc1c(C)nc(nc1O)Nc1ccccc1OC

STK573474
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(4-methylphenyl)carbonyl]-2'-{[2-(prop-2-en-1-yloxy)phenyl]carbonyl}-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)c2ccc(cc2)C)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK573476
Synonyms: N-ethyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]methanesulfonamide
Smiles: CCN(S(=O)(=O)C)Cc1cc2cc(C)ccc2[nH]c1=O

STK573478
Synonyms: (4E)-5-(4-bromophenyl)-1-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Smiles: Brc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1ccc(cc1)Cl

STK573479
Synonyms: N-(2-tert-butylphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1C(C)(C)C)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1

STK573480
Synonyms: N-(1-benzylpiperidin-4-yl)-2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2)O)NC1CCN(CC1)Cc1ccccc1

STK573481
Synonyms: 6-(2,3,4-trimethoxyphenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol
Smiles: COc1ccc(c(c1OC)OC)C1Sc2ccccc2N=C2C1=C(O)c1c2cccc1

STK573483
Synonyms: methylN-[(4-chlorobenzyl)carbamoyl]-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)NCc1ccc(cc1)Cl

STK573486
Synonyms: 6-chloro-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethyl-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: Clc1cc2c(c3c1OCN(C3)c1ccc3c(c1)OCCO3)oc(=O)c(c2C)C

STK573487
Synonyms: 6-hydroxy-5-(4-methoxyphenyl)-1,3-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4(1H,3H)-dione
Smiles: COc1ccc(cc1)C1C2=C(O)CCCC2=Nc2c1c(=O)n(C)c(=O)n2C

STK573489
Synonyms: (3a'S,6a'R)-5'-tert-butyl-7-chloro-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: CC(CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1Cl)C

STK573490
Synonyms: N,N-dibutyl-2-{[8,8-dimethyl-11-(morpholin-4-yl)-7,10-dihydro-8H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: CCCCN(C(=O)CSc1nnc2n1cnc1c2sc2c1c1CC(C)(C)OCc1c(n2)N1CCOCC1)CCCC

STK573491
Synonyms: methyl(3-{(Z)-[1-(4-chlorobenzyl)-2-hydroxy-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene]methyl}-1H-indol-1-yl)acetate
Smiles: COC(=O)Cn1cc(c2c1cccc2)/C=C/1\N=C(N(C1=O)Cc1ccc(cc1)Cl)O

STK573492
Synonyms: 1-(4-chlorophenyl)-N-(2-methoxyphenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1ccccc1OC)c1ccc(cc1)Cl

STK573495
Synonyms: 3-[(3R,3'S,3a'S,6a'R)-5'-(3,4-dichlorophenyl)-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]propanamide
Smiles: NC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(c(c1)Cl)Cl)C(=O)Nc1c2cccc1

STK573498
Synonyms: (1'S,3R,3'S,7a'S)-5''-chloro-1'-[(2,4-dichlorophenyl)carbonyl]-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: Clc1ccc(c(c1)Cl)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(Cl)cc1

STK573502
Synonyms: N-(furan-2-ylmethyl)-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-amine
Smiles: CC(c1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCc1ccco1)C

STK573504
Synonyms: 5-(2-bromophenyl)-4-{[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cl/C(=C\c1ccccc1)/C=N/n1c(=S)[nH]nc1c1ccccc1Br

STK573505
Synonyms: N-(2,3-dimethylphenyl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)C)CSc1nnc(n1c1ccc(cc1)C)c1nccnc1

STK573506
Synonyms: 1-(3-chlorophenyl)-4-(4-methoxyphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
Smiles: COc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)OC2)c1cccc(c1)Cl

STK573507
Synonyms: N-(4-chlorobenzyl)-6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]hexanamide
Smiles: O=C(NCc1ccc(cc1)Cl)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK573508
Synonyms: 2-(2-methoxy-5-nitrophenyl)-4-[(4-methylphenyl)carbonyl]hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1N1C(=O)C2C(C1=O)C1N(C2C(=O)c2ccc(cc2)C)CCC1)[N+](=O)[O-]

STK573509
Synonyms: isoquinolin-1-ylmethylbenzoate
Smiles: O=C(c1ccccc1)OCc1nccc2c1cccc2

STK573510
Synonyms: 3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one
Smiles: O=C(N1CCCCCC1)CCCCCn1nnc2c(c1=O)cccc2

STK573511
Synonyms: 2,2,5-trimethyl-N-[2-(morpholin-4-yl)ethyl]-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)ncnc3NCCN1CCOCC1

STK573512
Synonyms: (5E)-3-tert-butyl-6-hydroxy-5-{[(2-phenylethyl)amino]methylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C\NCCc2ccccc2)/C(=O)N1C(C)(C)C

STK573513
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1CC)c1cccc(c1)Cl

STK573515
Synonyms: 1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(CN2CCCCC2C)nc2c1c(=O)n(c(=O)n2C)C

STK573516
Synonyms: 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(4-sulfamoylbenzyl)acetamide
Smiles: O=C(COc1ccc2c(c1)oc(=O)cc2C)NCc1ccc(cc1)S(=O)(=O)N

STK573518
Synonyms: 4-methyl-6-oxo-6H-benzo[c]chromen-3-yl2-{[(benzyloxy)carbonyl]amino}butanoate
Smiles: CCC(C(=O)Oc1ccc2c(c1C)oc(=O)c1c2cccc1)NC(=O)OCc1ccccc1

STK573519
Synonyms: 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-ylN-[(4-methylphenyl)sulfonyl]-L-tryptophanate
Smiles: O=C([C@@H](NS(=O)(=O)c1ccc(cc1)C)Cc1c[nH]c2c1cccc2)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3

STK573520
Synonyms: N-(3,5-dimethoxyphenyl)-3-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamide
Smiles: COc1cc(NC(=O)CCc2c(=O)oc3c(c2C)ccc(c3C)OC)cc(c1)OC

STK573522
Synonyms: 4-methoxy-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
Smiles: COc1ccc(cc1)C(=O)N(Cc1cc2cccc(c2[nH]c1=O)C)CC1CCCO1

STK573523
Synonyms: methyl4-methoxy-3-[(6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)methyl]benzoate
Smiles: COC(=O)c1ccc(c(c1)Cn1c2ccccc2c2c1c(=O)n1CCCSc1n2)OC

STK573524
Synonyms: 7'-[(E)-(1-cyclohexyl-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: OC1=NC(=O)N(C(=O)/C/1=C/c1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C)C1CCCCC1

STK573525
Synonyms: N-(furan-2-ylmethyl)-4-methoxy-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)Cc1ccco1

STK573526
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(3,4-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(cc1OC)C(=O)[C@@H]1[C@@H](C(=O)c2cccs2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK573527
Synonyms: 2,6-dihydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)-3-[3-(trifluoromethyl)phenyl]pyrimidin-4(3H)-one
Smiles: COc1ccc2c(c1)c1CCNC(c1[nH]2)c1c(O)nc(n(c1=O)c1cccc(c1)C(F)(F)F)O

STK573528
Synonyms: ethyl2-{3-[(Z)-(1-cyclohexyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C\1/C(=NC(=O)N(C1=O)C1CCCCC1)O

STK573529
Synonyms: N-[2-(4-chlorophenyl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenoxypropanamide
Smiles: O=C(C(Oc1ccccc1)C)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)Cl

STK573530
Synonyms: (4E)-5-(4-bromophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)c1nnc(s1)C)/O

STK573532
Synonyms: 2-(1H-benzimidazol-2-yl)-4-chloro-5-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3(2H)-one
Smiles: COc1cc2CN(CCc2cc1OC)c1cnn(c(=O)c1Cl)c1nc2c([nH]1)cccc2

STK573533
Synonyms: S-benzyl-N-{[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}-L-cysteine
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)Br)N[C@H](C(=O)O)CSCc1ccccc1

STK573534
Synonyms: 3-(4-methoxybenzyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: COc1ccc(cc1)Cn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1cccc(c1)[N+](=O)[O-]

STK573535
Synonyms: (3a'S,6a'R)-3'-benzyl-5'-butyl-5-fluoro-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccccc2)C(=O)Nc2c1cc(F)cc2

STK573536
Synonyms: 5-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-2-hydroxybenzoicacid
Smiles: OC(=O)c1cc(ccc1O)Nc1cc(Cl)c2c(c1[N+](=O)[O-])non2

STK573538
Synonyms: 4-[(E)-[1-ethyl-1'-(2-methoxyethyl)-2,4',5'-trioxo-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene](hydroxy)methyl]-N,N-dimethylbenzenesulfonamide
Smiles: COCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)S(=O)(=O)N(C)C)/O)/C21C(=O)N(c1c2cccc1)CC

STK573539
Synonyms: 4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cc(Br)ccc1F

STK573540
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2c(C)cc(cc2C)C)nnc1COc1ccc(cc1)Cl

STK573544
Synonyms: 3-benzyl-2-(furan-2-yl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: O=c1n(Cc2ccccc2)c(nc2c1c(=O)c1ccccc1n2C)c1ccco1

STK573546
Synonyms: 2-(9-methoxy-5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl)-N-(2-phenylethyl)acetamide
Smiles: COc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2CC(=O)NCCc1ccccc1

STK573547
Synonyms: ethyl{[3-cyano-5-hydroxy-4-(4-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSC1=C(C#N)C(C2=C(CC(CC2=N1)(C)C)O)c1ccc(cc1)OC

STK573548
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1C)C

STK573550
Synonyms: N-{3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]propanoyl}norleucine
Smiles: CCCCC(C(=O)O)NC(=O)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK573551
Synonyms: 2-methoxy-6-{4-[3-(propan-2-yl)phenoxy]quinazolin-2-yl}phenol
Smiles: COc1cccc(c1O)c1nc(Oc2cccc(c2)C(C)C)c2c(n1)cccc2

STK573552
Synonyms: N-(2-methoxy-5-methylphenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)C)COc1ccccc1)C

STK573553
Synonyms: 2-{(2Z)-4-hydroxy-2-[(2E)-(4-hydroxy-3-methoxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: COc1cc(/C=N/N=C/2\SC(C(=N2)O)CC(=O)Nc2cccc(c2)C(F)(F)F)ccc1O

STK573554
Synonyms: 3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccccc1)c([nH]n2)c1cc(C)cc(c1O)C

STK573557
Synonyms: (5E)-5-[(azepan-1-ylamino)methylidene]-3-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C\NN2CCCCCC2)/C(=O)N1c1ccc(c(c1)C)C

STK573559
Synonyms: 4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1Br)/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK573562
Synonyms: 8-(4-ethylpiperazin-1-yl)-2,2-dimethyl-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3N1CCN(CC1)CC

STK573566
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluoro-4-methylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(c(c2)F)C)nnc1COc1ccc(cc1)Cl

STK573568
Synonyms: N-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-beta-alanyl-S-benzyl-L-cysteine
Smiles: O=C(N[C@H](C(=O)O)CSCc1ccccc1)CCNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C

STK573569
Synonyms: 6,6-dimethyl-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1c(OC)cc(cc1OC)C1C2=C(O)CC(CC2=Nc2n1ncn2)(C)C

STK573570
Synonyms: N-({4-phenyl-1-[3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]piperidin-4-yl}carbonyl)-beta-alanine
Smiles: OC(=O)CCNC(=O)C1(CCN(CC1)C(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)c1ccccc1

STK573572
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-[(2-oxo-2H-chromen-7-yl)oxy]acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)COc1ccc2c(c1)oc(=O)cc2

STK573573
Synonyms: 1-{[1,3-dimethyl-7-(naphthalen-1-ylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)Cc1nc2c(n1Cc1cccc3c1cccc3)c(=O)n(c(=O)n2C)C

STK573574
Synonyms: N-[(2Z)-5,5-dioxido-3-(2-phenylethyl)tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-(4-fluorophenyl)acetamide
Smiles: O=C(/N=C/1\SC2C(N1CCc1ccccc1)CS(=O)(=O)C2)Cc1ccc(cc1)F

STK573577
Synonyms: 3-(2,4-dichlorobenzyl)-8-(3-methoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: COc1cccc(c1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(cc1Cl)Cl

STK573578
Synonyms: N-[(2Z)-3-(2-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2,2-dimethylpropanamide
Smiles: COc1ccccc1CN1/C(=N/C(=O)C(C)(C)C)/SC2C1CS(=O)(=O)C2

STK573579
Synonyms: methyl(1-{3-[(Z)-(3-cyclopentyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-3-oxopiperazin-2-yl)acetate
Smiles: COC(=O)CC1C(=O)NCCN1c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C1CCCC1)C

STK573580
Synonyms: N-[6-chloro-3-(3-chlorophenyl)-4-oxo-4H-chromen-2-yl]thiophene-2-carboxamide
Smiles: Clc1ccc2c(c1)c(=O)c(c(o2)NC(=O)c1cccs1)c1cccc(c1)Cl

STK573581
Synonyms: N,1,4-tris(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Cc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)C)n2c3c1CCCCn3c(c2)c1ccc(cc1)C

STK573582
Synonyms: 1-(4-methoxyphenyl)-2-(3-methoxypropyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COCCCN1C(=O)c2c(C1c1ccc(cc1)OC)c(=O)c1c(o2)cccc1

STK573583
Synonyms: 6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl{[(4-methylphenyl)sulfonyl]amino}(phenyl)acetate
Smiles: Cc1ccc(cc1)S(=O)(=O)NC(C(=O)Oc1ccc2c(c1C)oc(=O)c1c2CCC1)c1ccccc1

STK573585
Synonyms: 6-benzyl-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)c1n2Cc1ccccc1

STK573586
Synonyms: [4-(2-fluorophenyl)piperazin-1-yl](5-methoxy-3-methyl-1H-indol-2-yl)methanone
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)N1CCN(CC1)c1ccccc1F

STK573589
Synonyms: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: CCc1nc2c(c(=O)n1CCc1ccc(c(c1)OC)OC)c(=O)c1c(n2C)cccc1

STK573591
Synonyms: 4-{(Z)-[4-iminio-8-(methylsulfonyl)-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene]methyl}-2-methoxyphenolate
Smiles: COc1cc(ccc1[O-])/C=C/1\C(=O)N=c2n(C1=[NH2+])c1ccc(cc1s2)S(=O)(=O)C

STK573594
Synonyms: 2-{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide
Smiles: COc1cc2c(cc1NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl)oc1c2cccc1

STK573595
Synonyms: 2-[(2-fluorobenzyl)sulfanyl]-7-hydroxy-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Smiles: Oc1ccc(cc1)C1CC(=Nc2c1c(=O)nc(n2C)SCc1ccccc1F)O

STK573596
Synonyms: 3-(4-bromophenyl)-1,2-oxazole-5-carboxamide
Smiles: Brc1ccc(cc1)c1noc(c1)C(=O)N

STK573597
Synonyms: 2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(cc1)Oc1ccccc1

STK573598
Synonyms: N-(4-chlorophenyl)-2-({4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)Cl)nnc1COc1ccc(cc1)C

STK573599
Synonyms: N-[(2Z)-3-(1,3-benzodioxol-5-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide
Smiles: O=C(C1CCCO1)/N=C/1\SC2C(N1c1ccc3c(c1)OCO3)CS(=O)(=O)C2

STK573600
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)OC

STK573601
Synonyms: 4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccccc1NC(=O)c1c(c2ccc(cc2)C)c2c3n1cc(n3CCCC2)c1ccc(c(c1)Cl)Cl

STK573602
Synonyms: 9-(4-fluorophenyl)-1,7-dimethyl-3-(3-methylbutyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CC(CCn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1ccc(cc1)F)C

STK573603
Synonyms: 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)Cl

STK573605
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/C=C/c1ccccc1

STK573606
Synonyms: (4E)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-[2-(2-hydroxyethoxy)ethyl]-5-(2-nitrophenyl)pyrrolidine-2,3-dione
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OCC)/O)/C1c1ccccc1[N+](=O)[O-]

STK573607
Synonyms: N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-2-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide
Smiles: O=C(CN1C(=S)S/C(=C\c2ccc(cc2)C)/C1=O)Nc1ncc(s1)Cc1ccccc1Cl

STK573608
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(4-propoxyphenyl)carbonyl]-3'-(thiophen-2-ylcarbonyl)-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)c2cccs2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK573609
Synonyms: 3-[(3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-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]propanamide
Smiles: COc1ccccc1CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1ccc(c2C)Cl

STK573612
Synonyms: 5-(2,5-dimethoxyphenyl)-7-hydroxy-2-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-4(3H)-one
Smiles: COc1ccc(cc1C1CC(=Nc2c1c(=O)[nH]c(n2)C)O)OC

STK573613
Synonyms: 4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-[4-(dimethylamino)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1/C=N/n1c(=S)[nH]nc1c1ccc(cc1)N(C)C)Br

STK573615
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluoro-4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)F)C)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK573616
Synonyms: N-[4-(diethylamino)phenyl]-2-{[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccccc1)CC

STK573618
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[3-cyano-5-hydroxy-4-(thiophen-2-yl)-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2C)N=C2C(=C(O)CCC2)C1c1cccs1

STK573619
Synonyms: (5s,7s)-5,7-diethyl-2-(3-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol
Smiles: CC[C@]12CN3C[C@@](C2O)(CN(C1)C3c1cccc(c1)[N+](=O)[O-])CC

STK573621
Synonyms: 2-{[7,7-dimethyl-2-(3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(diphenylmethyl)acetamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C

STK573622
Synonyms: 5,6-dimethyl-2-{[4-(propan-2-yl)benzyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CC(c1ccc(cc1)CNc1nc2n(n1)c(O)c(c(n2)C)C)C

STK573623
Synonyms: (4E)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)-2-(2,4,6-trimethylphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: Cc1cc(C)c(c(c1)C)N1C(=O)/C(=C/NCCCN2CCOCC2)/c2c(C1=O)cccc2

STK573624
Synonyms: N-[(2E)-3-(4-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclohexanecarboxamide
Smiles: COc1ccc(cc1)N1/C(=N\C(=O)C2CCCCC2)/SC2C1CS(=O)(=O)C2

STK573625
Synonyms: ethyl3-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate
Smiles: CCOC(=O)c1cccc(c1)NC(=O)CCn1cnc2c(c1=O)cccc2

STK573626
Synonyms: N-(4-bromo-2-methylphenyl)-2-{[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)Br)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK573627
Synonyms: (3a'S,6a'R)-5'-(butan-2-yl)-5-fluoro-3'-(1H-indol-3-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: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(F)cc2)C

STK573628
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK573629
Synonyms: 8-(4-benzylpiperidin-1-yl)-7-(3-bromobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Brc1cccc(c1)Cn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1

STK573630
Synonyms: N-{(Z)-[4-hydroxy-2,6-dioxo-1-(propan-2-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}asparticacid
Smiles: OC(=O)CC(C(=O)O)N/C=C\1/C(=NC(=O)N(C1=O)C(C)C)O

STK573632
Synonyms: 9-(4-chlorophenyl)-6-(2,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(c(c1)OC)C1CC(=C2C(=Nc3n(C2c2ccc(cc2)Cl)ncn3)C1)O

STK573633
Synonyms: (4E)-5-(2,4-dimethoxyphenyl)-4-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Smiles: COc1ccc(c(c1)OC)C1/C(=C(/C=C/c2ccccc2)\O)/C(=O)C(=O)N1c1cccc(c1)C(F)(F)F

STK573635
Synonyms: N-{4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(cc1)[N+](=O)[O-]

STK573636
Synonyms: N-(2-hydroxypropyl)-5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CC(CNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CCCC2)O

STK573639
Synonyms: 5-(furan-2-yl)-4-{[(E)-(2-hydroxynaphthalen-1-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Oc1ccc2c(c1/C=N/n1c(=S)[nH]nc1c1ccco1)cccc2

STK573640
Synonyms: 6-methyl-2-(4-methylpiperazin-1-yl)-5-(naphthalen-1-ylmethyl)pyrimidin-4-ol
Smiles: CN1CCN(CC1)c1nc(C)c(c(n1)O)Cc1cccc2c1cccc2

STK573641
Synonyms: (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)[4-(pyrrolidin-1-ylsulfonyl)phenyl]methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1

STK573642
Synonyms: (4E)-2-(3,4-dimethylphenyl)-4-{[(2-hydroxyethyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: OCCN/C=C\1/C(=O)N(c2ccc(c(c2)C)C)C(=O)c2c1cccc2

STK573644
Synonyms: 2-[(4-benzylpiperidin-1-yl)carbonyl]-3-methyl-6,7-dihydro-1-benzofuran-4(5H)-one
Smiles: O=C(c1oc2c(c1C)C(=O)CCC2)N1CCC(CC1)Cc1ccccc1

STK573645
Synonyms: ethyl2-methyl-5-(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethoxy)-1-(2-phenylethyl)-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OCC(=O)Nc1ccc(cc1)C(C)C)cc2)CCc1ccccc1

STK573646
Synonyms: 4-benzyl-5-{[(6-methoxy-2-methylquinolin-4-yl)sulfanyl]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc2c(c1)c(SCc1n[nH]c(=S)n1Cc1ccccc1)cc(n2)C

STK573647
Synonyms: (2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
Smiles: Oc1nc2ccccc2c(=O)n1[C@H](C(=O)NCCCc1ccccc1)Cc1ccccc1

STK573649
Synonyms: (3S)-N-{(2S)-1-[(furan-2-ylmethyl)amino]-1-oxopropan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: C[C@@H](C(=O)NCc1ccco1)NC(=O)[C@H]1NCc2c(C1)cccc2

STK573650
Synonyms: (2'S,3S,3'S,10b'R)-3'-(1,3-benzodioxol-5-ylcarbonyl)-2'-[(4-fluorophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Fc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK573651
Synonyms: N-hexyl-8-methyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: CCCCCCNc1nc2nnnn2c2c1c1CCN(Cc1s2)C

STK573652
Synonyms: 4-[({[4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: O=C(Nc1ccc(cc1)C(=O)O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccco1

STK573654
Synonyms: (5Z)-3-butyl-5-{[(2',6'-dihydroxy-3-methyl-4'-oxo-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCCCN1C(=O)N=C(/C(=C/Nc2ccc3c(c2)CC2(C4N3CCN(C4)C)C(=NC(=NC2=O)O)O)/C1=O)O

STK573655
Synonyms: (4E)-5-(4-bromophenyl)-4-[(4-bromophenyl)(hydroxy)methylidene]pyrrolidine-2,3-dione
Smiles: Brc1ccc(cc1)/C(=C\1/C(NC(=O)C1=O)c1ccc(cc1)Br)/O

STK573656
Synonyms: (4E)-2-(3,4-dimethylphenyl)-4-{[(6-methylpyridin-2-yl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: Cc1cccc(n1)N/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccc(c(c1)C)C

STK573657
Synonyms: (6aR,6bS,9aR,10S)-8-(3-chloro-4-fluorophenyl)-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1N(c2ccc(c(c2)Cl)F)C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccccc1)cccc3

STK573658
Synonyms: N-[4-(4-chlorophenyl)-6-methyl-2-(4-methylphenyl)-5-oxo-2,5-dihydropyridazin-3-yl]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1n(nc(c(=O)c1c1ccc(cc1)Cl)C)c1ccc(cc1)C

STK573659
Synonyms: (1'R,2'R)-2'-(3-chlorophenyl)-1'-(thiophen-2-ylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: Clc1cccc(c1)[C@H]1[C@H](C(=O)c2cccs2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1

STK573660
Synonyms: N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)Cl)nnc1c1ccccn1

STK573661
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: C=CCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C

STK573662
Synonyms: (2S)-N-(3-chloro-4-methoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Smiles: COc1ccc(cc1Cl)NC(=O)[C@@H](n1nnc2c(c1=O)cccc2)C(C)C

STK573664
Synonyms: 4-(4-methoxyphenyl)-9-(tetrahydrofuran-2-ylmethyl)-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)CC1CCCO1

STK573665
Synonyms: 2-chloro-N-[1-ethyl-4-oxo-3-(thiophen-2-yl)-1,4-dihydroquinolin-2-yl]benzamide
Smiles: CCn1c(NC(=O)c2ccccc2Cl)c(c2cccs2)c(=O)c2c1cccc2

STK573669
Synonyms: 2-(hexylsulfanyl)-5-hydroxy-4-(4-methylphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: CCCCCCSC1=C(C#N)C(C2=C(CCCC2=N1)O)c1ccc(cc1)C

STK573671
Synonyms: phenyl[4-(2-phenyl[1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone
Smiles: O=C(c1ccccc1)N1CCN(CC1)c1nc(nc2c1oc1c2cccc1)c1ccccc1

STK573674
Synonyms: 5-(3-chlorophenyl)-3-(3,4-dihydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1cccc(c1)N1C(=O)C2C(C1=O)ON(C2c1ccc(c(c1)O)O)c1ccccc1

STK573675
Synonyms: 3-(4-fluorobenzyl)-1,7-dimethyl-8-(tetrahydrofuran-2-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Fc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)CC1CCCO1)C

STK573677
Synonyms: 8,8-dimethyl-5-[(4-methylphenyl)amino]-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Smiles: N#Cc1c(Nc2ccc(cc2)C)n2c(SCC(=O)c3ccc(cc3)[N+](=O)[O-])nnc2c2c1CC(C)(C)OC2

STK573678
Synonyms: N-(2-hydroxypropyl)-5,10-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CC(CNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CC(C)CC2)O

STK573680
Synonyms: 2-{benzyl[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]amino}ethanol
Smiles: OCCN(c1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)CC(C)C)Cc1ccccc1

STK573681
Synonyms: (5Z)-3-benzyl-6-hydroxy-5-{1-[(2-hydroxyethyl)amino]propylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: OCCN/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O)/CC

STK573682
Synonyms: 1-{4-[(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl]phenyl}ethanone
Smiles: CC1c2cc3OCCCOc3cc2CCN1S(=O)(=O)c1ccc(cc1)C(=O)C

STK573683
Synonyms: N-[(10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]-N-ethylbutan-1-amine
Smiles: CCCCN(Cc1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2)CC

STK573684
Synonyms: 2-[(2,4-dichlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Clc1ccc(c(c1)Cl)CNc1nn2c(n1)nc(cc2O)C

STK573685
Synonyms: (2S)-N-(3-methoxyphenyl)-2-(1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-3-phenylpropanamide
Smiles: COc1cccc(c1)NC(=O)[C@@H](n1c(=O)c2ccccc2n(c1=O)C)Cc1ccccc1

STK573686
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)F)nnc1COc1ccc(cc1)Cl

STK573689
Synonyms: 1-(4-methylphenyl)-N-[(2Z)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]-4-oxo-1,4-dihydropyridazine-3-carboxamide
Smiles: Cc1ccc(cc1)n1ccc(=O)c(n1)C(=O)/N=c/1\sc2c([nH]1)ccc(c2)S(=O)(=O)C

STK573690
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[methyl(phenyl)amino]methyl}-N'-[(E)-(4-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CN(c1ccccc1)C)c1nonc1N)N/N=C/c1ccc(cc1)[N+](=O)[O-]

STK573691
Synonyms: (2S)-({[1-(tert-butoxycarbonyl)-4-phenylpiperidin-4-yl]carbonyl}amino)(phenyl)ethanoicacid
Smiles: O=C(N1CCC(CC1)(c1ccccc1)C(=O)N[C@@H](c1ccccc1)C(=O)O)OC(C)(C)C

STK573692
Synonyms: 6-(4-chlorobenzyl)-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one
Smiles: Clc1ccc(cc1)Cn1c2ccccc2c2c1c(=O)n1CCSc1n2

STK573693
Synonyms: 1-(4-fluorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: Fc1ccc(cc1)C(=O)CSc1nnc(n1Cc1ccco1)COc1ccccc1

STK573694
Synonyms: methyl3-[(10-fluoro-6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)methyl]-4-methoxybenzoate
Smiles: COC(=O)c1ccc(c(c1)Cn1c2ccc(cc2c2c1c(=O)n1CCCSc1n2)F)OC

STK573695
Synonyms: 7-chloro-1-(3-ethoxyphenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cccc(c1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK573696
Synonyms: 5-iodo-N-(2-phenylethyl)furan-2-carboxamide
Smiles: Ic1ccc(o1)C(=O)NCCc1ccccc1

STK573697
Synonyms: ethyl{[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}(phenyl)acetate
Smiles: CCOC(=O)C(c1ccccc1)Sc1nnc2n1c(Nc1ccccc1)c(C#N)c1c2COC(C1)(C)C

STK573698
Synonyms: 8-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: CCN1CCN(CC1)Cc1nc2c(n1CCCc1ccccc1)c(O)nc(=O)n2C

STK573699
Synonyms: N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)C)Br)CSc1nnc(n1C)c1cccc(c1)Cl

STK573702
Synonyms: (5E)-3-benzyl-5-{1-[(4-ethoxyphenyl)amino]propylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCOc1ccc(cc1)N/C(=C/1\C(=NC(=O)N(C1=O)Cc1ccccc1)O)/CC

STK573703
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(n1C)c1cccc(c1)Cl

STK573704
Synonyms: N-[3-(diethylamino)propyl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CCN(CCCNC(=O)c1nn2c(n1)c1c(nc2)sc2c1CCC2)CC

STK573706
Synonyms: N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl]-2-methylpropanamide
Smiles: O=C(C(C)C)Nc1c(c2ccc(c(c2)Cl)Cl)c(=O)c2c(n1C)cccc2

STK573707
Synonyms: 6-butyl-2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CCCCN1CNc2c(C1)c(=O)nc(n2c1ccccc1)O

STK573708
Synonyms: (E)-[3-fluoro-4-(propan-2-yloxy)phenyl]{2-(2-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1ccccc1C1/C(=C(/c2ccc(c(c2)F)OC(C)C)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

STK573709
Synonyms: N-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)COc1ccc(cc1)C

STK573710
Synonyms: (3aR,6aS)-5-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2

STK573711
Synonyms: 1-{[2-(4-bromophenoxy)ethyl]sulfanyl}-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(C)cc(n2c1nc1c2cccc1)SCCOc1ccc(cc1)Br

STK573713
Synonyms: 2-(4-chlorophenyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(s2)ncn2c1nc(n2)c1ccc(cc1)Cl

STK573714
Synonyms: N-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]acetamide
Smiles: CCOc1ccc(cc1)NC(=O)Cn1c(=O)n(Cc2ccco2)c(=N)c2c1sc1c2CC(OC1)(C)C

STK573716
Synonyms: methyl4-[(E)-{[3-(4-tert-butylphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)C(C)(C)C

STK573717
Synonyms: 1-amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione
Smiles: O=C1c2ccccc2C(=O)c2c1c(NCc1ccccc1)cc(c2N)N1CCCC1

STK573718
Synonyms: 2-(2-fluorophenyl)-10-methyl-3-(3-methylbutyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: CC(CCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccccc1F)C

STK573720
Synonyms: N-{[(2Z)-4-(4-bromophenyl)-1,3-thiazol-2(3H)-ylidene]carbamothioyl}-3,4,5-trimethoxybenzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)NC(=S)/N=c/1\scc([nH]1)c1ccc(cc1)Br

STK573723
Synonyms: (E)-(4-fluorophenyl){2-(3-hydroxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: Oc1cccc(c1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)F)/[O-]

STK573724
Synonyms: 3-(2-bromophenoxy)-8-[(3-methylpiperidinium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CC1CCC[NH+](C1)Cc1c([O-])ccc2c1oc(c(c2=O)Oc1ccccc1Br)C(F)(F)F

STK573725
Synonyms: 2-methoxy-4-[(E)-({3-[3-(propan-2-yloxy)phenyl]-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}imino)methyl]phenylacetate
Smiles: COc1cc(ccc1OC(=O)C)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC(C)C

STK573726
Synonyms: 3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: Clc1ccc(cc1)n1c(SCc2cc(C)ccc2C)nnc1c1cccc(c1)Cl

STK573727
Synonyms: 6,7-dimethoxy-2-(3-nitropyridin-2-yl)-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CN(CCc2cc1OC)c1ncccc1[N+](=O)[O-]

STK573728
Synonyms: {(5S)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-5-[(2,4-dimethylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazol-5-yl}aceticacid
Smiles: N#CCOc1ccc(cc1OC)C1=NO[C@@](C1)(CC(=O)O)C(=O)Nc1ccc(cc1C)C

STK573734
Synonyms: (E)-{2-(4-bromophenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccccc2)/[O-])/C1c1ccc(cc1)Br)CC

STK573738
Synonyms: 16-(3,4-dimethoxyphenyl)-3,3-dimethyl-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: COc1ccc(cc1OC)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc2OCCCOc2c1

STK573740
Synonyms: N-[(3E)-1-butyl-8-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-4-fluorobenzenesulfonamide
Smiles: CCCCn1[nH]/c(=N/S(=O)(=O)c2ccc(cc2)F)/c2c1nc1c(C)cccc1c2

STK573742
Synonyms: N-(4-butylphenyl)-2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1C)c1ccc(cc1)C(C)(C)C

STK573743
Synonyms: (4Z)-4-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(2-chloro-5-nitrophenyl)-1,3-oxazol-5(4H)-one
Smiles: O=C1OC(=N/C/1=C\c1c(C)nn(c1Cl)c1ccccc1)c1cc(ccc1Cl)[N+](=O)[O-]

STK573744
Synonyms: N'-[(1E)-1-(1-benzyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)ethyl]pyridine-4-carbohydrazide
Smiles: O=C(c1ccncc1)NN/C(=C/1\C(=NC(=O)N(C1=O)Cc1ccccc1)O)/C

STK573746
Synonyms: N-[2-hydroxy-4,6-dioxo-1-phenyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-methylbutanamide
Smiles: CC(CC(=O)NC1(C(=O)Nc2c1c(=O)nc(n2c1ccccc1)O)C(F)(F)F)C

STK573747
Synonyms: N-(3,4-difluorophenyl)-2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)F)nnc1COc1ccccc1

STK573748
Synonyms: 1'-butyl-6-hydroxy-6'-nitro-2'-propyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: CCCCN1c2ccc(cc2CC2(C1CCC)C(=O)NC(=O)N=C2O)[N+](=O)[O-]

STK573749
Synonyms: 2-[(7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK573750
Synonyms: 2-{[4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)C)C)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK573751
Synonyms: 3-methyl-1'-(propan-2-yl)-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: CN1CCN2C(C1)C1(Cc3c2cccc3)C(=O)NC(=O)N(C1=O)C(C)C

STK573752
Synonyms: (2-{[(2'S,3S,3'S,10b'R)-2-oxo-2'-(pyridin-4-ylcarbonyl)-1,2,2',3'-tetrahydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-3'-yl]carbonyl}phenoxy)acetonitrile
Smiles: N#CCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccncc1)C(=O)Nc1c2cccc1)cccc3

STK573753
Synonyms: 2-{(3R,3'S,3a'S,6a'R)-2,4',6'-trioxo-5'-[2-(trifluoromethyl)phenyl]-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)C[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1C(F)(F)F)C(=O)Nc1c2cccc1

STK573755
Synonyms: 2,4-bis(4-fluorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
Smiles: Fc1ccc(cc1)C1Nc2nc3c(n2C(C1)c1ccc(cc1)F)cccc3

STK573757
Synonyms: 3-butyl-2-(4-methoxyphenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: CCCCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccc(cc1)OC

STK573758
Synonyms: 3-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine
Smiles: Fc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCc1ccc(cc1)[N+](=O)[O-]

STK573759
Synonyms: (4E)-4-[hydroxy(4-methoxyphenyl)methylidene]-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C\1/C(c2ccccc2)N(C(=O)C1=O)c1cccc(c1)C(F)(F)F)/O

STK573760
Synonyms: 1-(4-fluorophenyl)-2-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)C(C)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK573762
Synonyms: (4E)-1-hexadecyl-4-[hydroxy(4-methoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Smiles: CCCCCCCCCCCCCCCCN1C(c2ccccc2)/C(=C(/c2ccc(cc2)OC)\O)/C(=O)C1=O

STK573763
Synonyms: 8-(4-ethylphenyl)-1-methyl-3-(3-methylbutyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: CCc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CCC(C)C

STK573764
Synonyms: 4-({(E)-[3-(benzyloxy)phenyl]methylidene}amino)-5-(3-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)OCc1ccccc1

STK573766
Synonyms: 5-[3-(propan-2-yloxy)phenyl]-4-{[(E)-(2,3,4-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(c(c1OC)OC)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC(C)C

STK573768
Synonyms: 7'-{[(1E)-1-(1-butyl-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)propyl]amino}-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: CCCCN1C(=NC(=O)/C(=C(\Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/CC)/C1=O)O

STK573769
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(n1C)c1cccc(c1)Cl

STK573770
Synonyms: 8-(2-methoxyphenyl)-1-methyl-3-(4-methylbenzyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: COc1ccccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(cc1)C

STK573771
Synonyms: 4-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Smiles: CC1(C)OCc2c(C1)nc(nc2SCc1nc2c([nH]1)cccc2)c1ccccc1

STK573772
Synonyms: 3-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-cyclohexyl-4H-1,2,4-triazol-4-amine
Smiles: Fc1cccc(c1CSc1nnc(n1N)C1CCCCC1)Cl

STK573775
Synonyms: N-(4-chlorophenyl)-1-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCOc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)Cl)n2c3c1CCCCn3c(c2)c1ccccc1

STK573776
Synonyms: 8-hydrazinyl-2,2-dimethyl-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NN

STK573778
Synonyms: (5Z)-6-hydroxy-5-[(2E)-1-hydroxy-3-(1H-indol-3-yl)prop-2-en-1-ylidene]-3-(2-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccccc1N1C(=O)N=C(/C(=C(\C=C\c2c[nH]c3c2cccc3)/O)/C1=O)O

STK573780
Synonyms: N-[3-(4-fluorophenyl)-4-oxo-4H-thiochromen-2-yl]benzamide
Smiles: Fc1ccc(cc1)c1c(NC(=O)c2ccccc2)sc2c(c1=O)cccc2

STK573781
Synonyms: N-[3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]biphenyl-4-carboxamide
Smiles: CSCCC(c1nnc2n1cccc2)NC(=O)c1ccc(cc1)c1ccccc1

STK573782
Synonyms: 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]-N-cyclopropylacetamide
Smiles: O=C(NC1CC1)COc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1

STK573783
Synonyms: 1',3'-dimethyl-8-nitro-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)Cc1cc(ccc1N1C2CN(CC1)c1ccccc1)[N+](=O)[O-]

STK573784
Synonyms: 3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol
Smiles: COc1cc(cc(c1OC)OC)c1nnc2n1N=C(O)CS2

STK573786
Synonyms: (1'S,3R,3'S,7a'R)-7''-ethyl-1'-[(4-propoxyphenyl)carbonyl]-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: CCCOc1ccc(cc1)C(=O)[C@@H]1[C@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cccc1CC

STK573787
Synonyms: N-{2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methyl-1H-benzimidazol-5-yl}-4-nitrobenzamide
Smiles: CCN1CCN(CC1)CCc1nc2c(n1C)ccc(c2)NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK573790
Synonyms: 6-(2-chlorobenzyl)-1-(2-chlorophenyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Clc1ccccc1CN1CNc2c(C1)c(=O)nc(n2c1ccccc1Cl)S

STK573791
Synonyms: N-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1ccccc1Cl)c1ccc(c(c1)C)C

STK573792
Synonyms: 2-(4-bromophenyl)-4-(4-fluorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
Smiles: Fc1ccc(cc1)C1CC(Nc2n1c1ccccc1n2)c1ccc(cc1)Br

STK573793
Synonyms: (3a'S,6a'R)-5-bromo-3'-(1H-indol-3-ylmethyl)-5'-phenyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Brc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccccc1)Cc1c[nH]c3c1cccc3)C(=O)N2

STK573794
Synonyms: 2-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
Smiles: COc1ccc(cc1NC(=O)c1cccnc1c1nc2c(s1)cccc2)C

STK573795
Synonyms: N-[3-(3,4-dichlorophenyl)-4-oxo-4H-chromen-2-yl]-3-methoxybenzamide
Smiles: COc1cccc(c1)C(=O)Nc1oc2ccccc2c(=O)c1c1ccc(c(c1)Cl)Cl

STK573796
Synonyms: 7-methyl-1-(3-nitrophenyl)-2-(2-phenylethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CCc1ccccc1

STK573797
Synonyms: 2-[(4-chlorophenyl)sulfonyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN(C2C)S(=O)(=O)c1ccc(cc1)Cl

STK573800
Synonyms: N'-[(E)-naphthalen-1-ylmethylidene]-5-(propan-2-yl)-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)C(C)C)N/N=C/c1cccc2c1cccc2

STK573801
Synonyms: N-(3,5-dimethylphenyl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1c1ccc(cc1)C)c1nccnc1

STK573802
Synonyms: 2-hydroxy-N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]benzohydrazide
Smiles: COc1c(/C=N/NC(=O)c2ccccc2O)ccc(c1OC)OC

STK573803
Synonyms: 2-({4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccc(cc1)C

STK573804
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-3-(4-chlorophenyl)-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: Clc1ccc(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

STK573806
Synonyms: 2-[(5Z)-5-(3,4-dimethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylbutyl)acetamide
Smiles: COc1cc(ccc1OC)/C=C/1\SC(=O)N(C1=O)CC(=O)NCCC(C)C

STK573807
Synonyms: ethyl4-{(3aR,4R,4aR,7aS,8R,8aR)-3-[4-(benzyloxy)phenyl]-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindol-6-yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2c1ccc(cc1)OCc1ccccc1

STK573808
Synonyms: (3a'S,6a'R)-5'-benzyl-3'-(3,4-dihydroxybenzyl)-5-fluoro-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)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)Cc1ccccc1)Cc1ccc(c(c1)O)O)C(=O)N2

STK573809
Synonyms: 7-fluoro-2-methyl-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccccc1)C

STK573810
Synonyms: 7-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN1CCN(CC1)c1nc2c(n1CC(c1ccccc1)O)c(=O)n(c(=O)n2C)C

STK573812
Synonyms: 3-[3-(1H-imidazol-1-yl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: O=c1n(CCCn2cncc2)cnc2c1[nH]c1c2cccc1

STK573814
Synonyms: N-(2-methoxyphenyl)-1-(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccccc1NC(=O)c1c(c2ccc(cc2)C)c2c3n1cc(n3CCCC2)c1ccccc1

STK573815
Synonyms: 1'-(2-chlorophenyl)-3-nitro-2'-sulfanyl-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione
Smiles: SC1=NC(=O)C2(C(=O)N1c1ccccc1Cl)Cc1cc(ccc1N1C2CCCCC1)[N+](=O)[O-]

STK573816
Synonyms: 3-[(4-tert-butylbenzyl)sulfanyl]-5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
Smiles: Fc1ccccc1c1nnc(n1c1ccccc1)SCc1ccc(cc1)C(C)(C)C

STK573817
Synonyms: 6-(4-chlorobenzyl)-7,9-dimethyl-6H-indolo[2,3-b]quinoxaline
Smiles: Cc1cc(C)c2c(c1)c1nc3ccccc3nc1n2Cc1ccc(cc1)Cl

STK573819
Synonyms: 6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yltrans-4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate
Smiles: O=C(OC(C)(C)C)NC[C@@H]1CC[C@H](CC1)C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1

STK573820
Synonyms: N-[(2Z)-3-[2-chloro-5-(trifluoromethyl)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide
Smiles: CC(=O)/N=C/1\SC2C(N1c1cc(ccc1Cl)C(F)(F)F)CS(=O)(=O)C2

STK573822
Synonyms: 2-{[(Z)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(N/C=C\2/C(=NC(=NC2=O)S)O)sc2c1CCCC2

STK573824
Synonyms: N-(3-acetylphenyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexanecarboxamide
Smiles: O=C(C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)Nc1cccc(c1)C(=O)C

STK573825
Synonyms: (E)-{1-[2-(diethylammonio)ethyl]-2-[4-(dimethylamino)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(4-nitrophenyl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)[N+](=O)[O-])/[O-])/C1c1ccc(cc1)N(C)C)CC

STK573827
Synonyms: 8-(benzylamino)-6-hydroxy-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(NCc2ccccc2)nc2c1c(O)nc(=O)n2C)COc1ccc(cc1)C

STK573828
Synonyms: 2-(4-chlorophenyl)-N-[(2E)-3-(2-fluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide
Smiles: O=C(/N=C\1/SC2C(N1c1ccccc1F)CS(=O)(=O)C2)Cc1ccc(cc1)Cl

STK573829
Synonyms: 5-(4-tert-butylphenyl)-4-{[(E)-(3-hydroxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Oc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)C(C)(C)C

STK573830
Synonyms: 3-benzyl-9-(4-fluorophenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CC1CN(c2ccc(cc2)F)c2n(C1)c1c(n2)n(C)c(=O)n(c1=O)Cc1ccccc1

STK573831
Synonyms: 4-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-6-(propan-2-yl)-2H-chromen-2-one
Smiles: COc1ccccc1N1CCN(CC1)Cc1cc(=O)oc2c1cc(cc2)C(C)C

STK573833
Synonyms: 6-(4-chlorophenyl)-9-(3,5-difluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Clc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2cc(F)cc(c2)F)ncn3)C1)O

STK573834
Synonyms: tert-butyl[(1S)-1-{5-[(2,5-dimethylbenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}ethyl]carbamate
Smiles: O=C(OC(C)(C)C)N[C@H](c1nnc(o1)S(=O)(=O)Cc1cc(C)ccc1C)C

STK573835
Synonyms: 2-[(4-butyl-6-chloro-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide
Smiles: CCCCc1cc(=O)oc2c1cc(Cl)c(c2)OCC(=O)NCc1ccccn1

STK573836
Synonyms: N-(4-ethoxyphenyl)-2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)OCC)nnc1COc1ccc(cc1)C

STK573838
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(4-fluorophenyl)carbonyl]-2'-[(3-nitrophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1c2cccc1)cccc3

STK573839
Synonyms: (2E)-N-(4-fluorophenyl)-2-[(2E)-(furan-2-ylmethylidene)hydrazinylidene]-4-hydroxy-5,6-dihydro-2H-1,3-thiazine-6-carboxamide
Smiles: O=C(C1CC(=N/C(=N\N=C\c2ccco2)/S1)O)Nc1ccc(cc1)F

STK573840
Synonyms: 6-hydroxy-3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: C=CCn1c(Sc2scc(n2)C)nc2c1c(O)nc(=O)n2C

STK573841
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[methyl(phenyl)amino]methyl}-N'-[(E)-naphthalen-1-ylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN(c1ccccc1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccc2c1cccc2

STK573842
Synonyms: ethyl5-bromo-3-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1-benzofuran-2-carboxylate
Smiles: CCOC(=O)c1oc2c(c1CN1CCc3c(C1)cc(c(c3)OC)OC)cc(cc2)Br

STK573843
Synonyms: 3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}quinazolin-4(3H)-one
Smiles: Clc1cccc(c1)N1CCN(CC1)C(=O)CCCCCn1cnc2c(c1=O)cccc2

STK573844
Synonyms: 4-(1,3-benzodioxol-5-yl)-5-(thiophen-2-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1ccc2c(c1)OCO2)Cc1cccs1

STK573845
Synonyms: 3-[(3-bromobenzyl)sulfanyl]-4-(furan-2-ylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazole
Smiles: Brc1cccc(c1)CSc1nnc(n1Cc1ccco1)c1cccc(c1)C

STK573847
Synonyms: 1-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCCN1C(=O)c2c(C1c1cc(OC)ccc1OC)c(=O)c1c(o2)ccc(c1)C

STK573848
Synonyms: N-[4-(butan-2-yl)phenyl]-2-{[4-ethyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1CC)Cc1cccs1)C

STK573849
Synonyms: 6-cyclohexyl-1-(4-methoxybenzyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: COc1ccc(cc1)Cn1c(S)nc(=O)c2c1NCN(C2)C1CCCCC1

STK573851
Synonyms: N-methyl-4-(1,2,5-trimethyl-1H-indol-3-yl)-1,3-thiazol-2-amine
Smiles: CNc1scc(n1)c1c(C)n(c2c1cc(C)cc2)C

STK573852
Synonyms: 2-chloro-N'-{(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}benzohydrazide
Smiles: Cc1ccc(cc1)N1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2Cl)/C1=O)S

STK573854
Synonyms: N-(2,6-dimethylphenyl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(n1c1ccc(cc1)C)c1cnccn1

STK573855
Synonyms: [(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]aceticacid
Smiles: CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CC(=O)O)/O

STK573856
Synonyms: 4-[(3a'S,6a'R)-3'-(1H-indol-3-ylmethyl)-6,7-dimethyl-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]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1ccc(c2C)C

STK573857
Synonyms: 4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCOc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1ccccc1OC)c1ccc(cc1)OC

STK573858
Synonyms: 2-{[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK573859
Synonyms: (2E,5Z)-2-[(3-chlorophenyl)imino]-5-(2,5-dimethoxybenzylidene)-1,3-thiazolidin-4-one
Smiles: COc1ccc(c(c1)/C=C/1\S/C(=N/c2cccc(c2)Cl)/NC1=O)OC

STK573861
Synonyms: (5Z)-6-hydroxy-5-{1-[(2-hydroxyethyl)amino]ethylidene}-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: OCCN/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/C

STK573862
Synonyms: 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-dimethoxyphenyl)acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK573863
Synonyms: 8-amino-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-ethanothieno[2,3-b][1,5]naphthyridine-7-carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)C2CCN1CC2)Nc1ccccc1C(F)(F)F

STK573864
Synonyms: N-[(3Z)-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-2,1,3-benzoxadiazole-4-sulfonamide
Smiles: CCCn1[nH]/c(=N\S(=O)(=O)c2cccc3c2non3)/c2c1nc1ccccc1c2

STK573865
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]propanamide
Smiles: COc1ccc(cc1OC)CCNC(=O)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK573867
Synonyms: 2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(4-sulfamoylbenzyl)acetamide
Smiles: COc1ccc2c(c1C)oc(=O)c(c2C)CC(=O)NCc1ccc(cc1)S(=O)(=O)N

STK573868
Synonyms: N-[(2E)-4,6-dichloro-1,3-benzothiazol-2(3H)-ylidene]-4-hydroxy-2-oxo-1-pentyl-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCCn1c(=O)c(C(=O)/N=c\2/sc3c([nH]2)c(Cl)cc(c3)Cl)c(c2c1cccc2)O

STK573869
Synonyms: 5-(3-{(Z)-[(2Z)-4-hydroxy-2-(phenylimino)-1,3-thiazol-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylicacid
Smiles: OC1=N/C(=N/c2ccccc2)/S/C/1=C\c1cc(n(c1C)c1cc(cc(c1)C(=O)O)C(=O)O)C

STK573870
Synonyms: 9-(3-chlorophenyl)-6-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2cccc(c2)Cl)ncn3)C1)O

STK573871
Synonyms: 1-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1ccc3c(c1)OCCO3)c1ccccc1n2

STK573872
Synonyms: 1-({3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN(c1ccc(cc1)C1=NOC(C1)Cn1c(=O)c2n(C)cnc2n(c1=O)C)C

STK573873
Synonyms: 2-oxo-4-propyl-2H-chromen-7-ylS-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate
Smiles: CCCc1cc(=O)oc2c1ccc(c2)OC(=O)[C@@H](NC(=O)OC(C)(C)C)CSCc1ccccc1

STK573874
Synonyms: (2S)-N-(2,4-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Smiles: O=C([C@@H](n1nnc2c(c1=O)cccc2)C)Nc1ccc(cc1F)F

STK573875
Synonyms: 6,6-dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C

STK573876
Synonyms: (3S,3'S,3a'R,6a'S)-5-chloro-3'-(2-methylpropyl)-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]2CC(C)C)C(=O)Nc2c1cc(Cl)cc2

STK573877
Synonyms: 9-(4-fluorophenyl)-6-(2-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Fc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1C

STK573878
Synonyms: N-(1',3'-dimethyl-2',4',6'-trioxo-3-propanoyl-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)benzamide
Smiles: CCC(=O)N1CCN2C(C1)C1(Cc3c2ccc(c3)NC(=O)c2ccccc2)C(=O)N(C)C(=O)N(C1=O)C

STK573879
Synonyms: 8-(3-chlorophenyl)-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Clc1cccc(c1)n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CCN1CCOCC1

STK573880
Synonyms: 2-{5-[(3-chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
Smiles: NCCc1nnc(o1)SCc1cccc(c1)Cl

STK573883
Synonyms: N-(3-bromophenyl)-2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Br)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK573884
Synonyms: 5-(2-hydroxy-5-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)O

STK573886
Synonyms: 5-(4-chlorophenyl)-4-{[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1c(C)nn(c1C)c1ccccc1

STK573887
Synonyms: 8-(3-methoxyphenyl)-1-methyl-3-pentyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: CCCCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1)OC

STK573890
Synonyms: N-[2-(2-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-3-yl)ethyl]-N-ethylacetamide
Smiles: CCN(C(=O)C)CCc1c(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)[nH]c2c1cccc2

STK573891
Synonyms: (E)-1-benzofuran-2-yl{1'-[2-(dimethylammonio)ethyl]-2,4',5'-trioxo-1-(prop-2-en-1-yl)-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}methanolate
Smiles: C=CCN1c2ccccc2C2(C1=O)N(CC[NH+](C)C)C(=O)C(=O)/C/2=C(\c1cc2c(o1)cccc2)/[O-]

STK573895
Synonyms: N-[(2Z)-3-[4-(diethylamino)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide
Smiles: CCN(c1ccc(cc1)N1/C(=N/C(=O)C2CCCO2)/SC2C1CS(=O)(=O)C2)CC

STK573896
Synonyms: biphenyl-4-yl(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone
Smiles: O=C(N1CCc2c(C1C)cc1c(c2)OCCCO1)c1ccc(cc1)c1ccccc1

STK573897
Synonyms: (4E)-1-butyl-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Smiles: CCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(cc1)[N+](=O)[O-]

STK573898
Synonyms: 8-(3-methoxyphenyl)-1-methyl-3-propyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: CCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1)OC

STK573899
Synonyms: 3-(2-chlorobenzyl)-7-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Cc1ccc2c(c1)[nH]c1c2ncn(c1=O)Cc1ccccc1Cl

STK573900
Synonyms: 7-(3-chlorobenzyl)-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1cccc(c1)Cn1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C

STK573902
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK573903
Synonyms: (1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(3,4,5-trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol
Smiles: COc1cc(cc(c1OC)OC)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)Cc1ccccc1F

STK573907
Synonyms: 8-[4-(2-chlorobenzyl)piperazin-1-yl]-6-hydroxy-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: COCCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1ccccc1Cl

STK573908
Synonyms: 10-methyl-11-[4-(methylsulfanyl)phenyl]-8-(4-nitrophenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6(5H)-one
Smiles: CSc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1[nH]c2=O)c1ccc(cc1)[N+](=O)[O-]

STK573909
Synonyms: 3-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-1,2,3-benzotriazin-4(3H)-one
Smiles: CC([C@H](n1nnc2c(c1=O)cccc2)C(=O)N1CCCCCC1)C

STK573910
Synonyms: 10-(3-hydroxy-4-methoxyphenyl)-1,3-dimethyl-5-phenyl-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)c1c2c1ccccc1)C

STK573912
Synonyms: (1Z)-5-(2,4-dichlorophenoxy)-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(cc1Cl)Cl

STK573914
Synonyms: (4Z)-4-[(3-chloro-4-methylphenyl)imino]-6-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Clc1cccc(c1)N1CCN(CC1)Cc1nc(N)n/c(=N\c2ccc(c(c2)Cl)C)/[nH]1

STK573915
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,3-dichlorophenyl)methylidene]-5-{[methyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN(c1ccccc1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccc(c1Cl)Cl

STK573916
Synonyms: 4-{(E)-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl}phenol
Smiles: Oc1ccc(cc1)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK573917
Synonyms: 4-methoxy-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide
Smiles: COc1ccc(cc1)C(=O)N(Cc1cc2cccc(c2[nH]c1=O)C)CC(C)C

STK573918
Synonyms: N-(4-bromo-2-methylphenyl)-2-{[4-(4-methoxyphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Br)nnc1c1ccccn1

STK573919
Synonyms: 4-chloro-N-[(3Z)-7-methyl-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]n(c2c1cc1ccc(cc1n2)C)CC(C)C

STK573921
Synonyms: 2-[4-(2,3-dichlorophenoxy)quinazolin-2-yl]-6-methoxyphenol
Smiles: COc1cccc(c1O)c1nc(Oc2cccc(c2Cl)Cl)c2c(n1)cccc2

STK573922
Synonyms: methylN-{[3-(ethoxycarbonyl)phenyl]carbamoyl}-L-phenylalaninate
Smiles: CCOC(=O)c1cccc(c1)NC(=O)N[C@H](C(=O)OC)Cc1ccccc1

STK573923
Synonyms: 2,4-dimethoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
Smiles: COc1cc(OC)ccc1C(=O)Nc1ccc(cc1)c1nc2c(o1)cccn2

STK573924
Synonyms: 2-(6-fluoro-1,3-benzothiazol-2-yl)-1-[3-(prop-2-en-1-yloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: C=CCOc1cccc(c1)C1N(c2sc3c(n2)ccc(c3)F)C(=O)c2c1c(=O)c1c(o2)cccc1

STK573925
Synonyms: (5E)-6-hydroxy-5-(1-{[3-(1H-imidazol-1-yl)propyl]amino}propylidene)-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NCCCn1cncc1

STK573926
Synonyms: (4E)-4-[(benzylamino)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccccc1N1C(=O)/C(=C/NCc2ccccc2)/c2c(C1=O)cccc2

STK573927
Synonyms: 4-({[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Smiles: N#Cc1ccc(cc1)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK573928
Synonyms: 3-benzyl-2',6'-dihydroxy-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)Cc1ccccc1N1C2CN(CC1)Cc1ccccc1

STK573931
Synonyms: 2,6-dimethoxy-4-[(E)-{[3-(3-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenylacetate
Smiles: COc1cc(/C=N/n2c(=S)[nH]nc2c2cccc(c2)OC)cc(c1OC(=O)C)OC

STK573933
Synonyms: 4-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1c(cccc1OC)/C=N/n1c(=S)[nH]nc1c1cc(OC)c(c(c1)OC)OC

STK573934
Synonyms: N-(3-fluorophenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK573935
Synonyms: 5-(2-chlorophenyl)-4-{[(E)-(5-methylfuran-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1ccc(o1)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK573937
Synonyms: 7'-{[(E)-(2-hydroxy-4,6-dioxo-1-phenyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]amino}-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)N(C(=O)/C/1=C/Nc1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C)c1ccccc1

STK573939
Synonyms: 3-[(3-bromobenzyl)sulfanyl]-5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)n1c(SCc2cccc(c2)Br)nnc1c1cccc(c1)OC

STK573940
Synonyms: 4-{[(E)-(2,4-dichlorophenyl)methylidene]amino}-5-(pyridin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccc(c(c1)Cl)/C=N/n1c(=S)[nH]nc1c1ccccn1

STK573941
Synonyms: 2-(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: Oc1ccccc1c1nn2c(n1)c1c(nc2C)sc2c1CCN(C2)Cc1ccccc1

STK573942
Synonyms: N-(5-chloro-2,4-dimethoxyphenyl)-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Smiles: COc1cc(OC)c(cc1NC(=O)CCCn1nnc2c(c1=O)cccc2)Cl

STK573944
Synonyms: 2-(2-bromophenyl)-2,3-dihydro-1H-isoindol-1-imine
Smiles: Brc1ccccc1N1Cc2c(C1=N)cccc2

STK573945
Synonyms: 5-chloro-2-methoxy-N-[(2Z)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]benzamide
Smiles: COc1ccc2c(c1)s/c(=N\C(=O)c1cc(Cl)ccc1OC)/[nH]2

STK573946
Synonyms: methyl2-amino-4-(2-chlorophenyl)-5-hydroxy-7-methyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
Smiles: COC(=O)C1=C(N)Oc2c(C1c1ccccc1Cl)c(O)nc(c2)C

STK573947
Synonyms: N-butyl-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine
Smiles: CCCCNc1ncnc2c1[nH]c1c2cc(cc1)OCC

STK573950
Synonyms: 2-amino-4-(3-fluorophenyl)-5-hydroxy-7-methyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccc(c1)F)c(O)nc(c2)C

STK573951
Synonyms: 3,5-dimethoxy-N-(2-methoxyethyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COCCN(C(=O)c1cc(OC)cc(c1)OC)Cc1cc2ccccc2[nH]c1=O

STK573953
Synonyms: 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8,8-dimethyl-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Smiles: N#Cc1c(Nc2ccccc2)n2c(SCC(=O)c3ccc(cc3)Cl)nnc2c2c1CC(C)(C)OC2

STK573955
Synonyms: (3a'S,6a'R)-3'-(3,4-dihydroxybenzyl)-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(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cccc2

STK573956
Synonyms: N-[7-(4-fluorophenyl)-5-phenyl-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)c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK573957
Synonyms: (3S)-N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CSCC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)[C@H]1NCc2c(C1)cccc2

STK573960
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK573962
Synonyms: (3aR,6aS)-3-(2,3-dimethoxyphenyl)-5-(naphthalen-2-yl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1c(OC)cccc1C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2

STK573963
Synonyms: N'-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]-N,N-dimethylpropane-1,3-diamine
Smiles: CC(CCC(c1ccc2c(c1)OCO2)CCNCCCN(C)C)C

STK573965
Synonyms: 2-(2-chlorophenyl)-8-(3-chlorophenyl)-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: Clc1cccc(c1)n1nc(c2c1Oc1ncn3c(c1C2c1cccnc1)nc(n3)c1ccccc1Cl)C

STK573966
Synonyms: N-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
Smiles: Fc1ccc(cc1)NC(=O)c1[nH]nc2c1CCCC2

STK573967
Synonyms: 2,3-dimethoxy-6-{(E)-[(2E)-(5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl}benzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)/C=N/N=C/1\NC(=O)C(S1)CC(=O)Nc1ccc(cc1)C

STK573968
Synonyms: 5-propyl-N-[(2Z)-4,6,8-trimethylquinazolin-2(1H)-ylidene]-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: CCCN1CNC(=NC1)/N=c/1\nc(C)c2c([nH]1)c(C)cc(c2)C

STK573970
Synonyms: N-[(3,4-dichlorophenyl)carbamoyl]-L-alanine
Smiles: O=C(N[C@H](C(=O)O)C)Nc1ccc(c(c1)Cl)Cl

STK573972
Synonyms: N-(furan-2-ylmethyl)-3-methyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]butanamide
Smiles: CC(CC(=O)N(Cc1cc2ccccc2[nH]c1=O)Cc1ccco1)C

STK573973
Synonyms: 2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1c(OC)cc(cc1OC)/C=N/NC(=O)CC1C(=NN=C1O)C

STK573974
Synonyms: N-(4-fluorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nnc(n1Cc1ccco1)Cc1cccs1

STK573975
Synonyms: (2Z)-1-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)ethanone
Smiles: CCOc1c(Cl)cc(cc1OC)C(=O)/C=C/1\NCCc2c1cc(OC)c(c2)OC

STK573976
Synonyms: 2-methoxy-6-{(E)-[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl}phenol
Smiles: COc1cccc(c1O)/C=N/Nc1ncnc2c1c1CCCCc1s2

STK573977
Synonyms: 2-[2-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C(N1CCc2c(C1C)cc1c(c2)OCCCO1)CN1C(=O)c2c(C1=O)cccc2

STK573978
Synonyms: 4-{[(E)-(2-bromophenyl)methylidene]amino}-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1ccccc1/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK573979
Synonyms: N-benzyl-N-ethyl-5,6-dimethoxy-1H-indole-2-carboxamide
Smiles: CCN(C(=O)c1cc2c([nH]1)cc(c(c2)OC)OC)Cc1ccccc1

STK573981
Synonyms: 2-(methylsulfanyl)-9-[4-(propan-2-yl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CSc1nc2n(n1)C(c1ccc(cc1)C(C)C)C1=C(O)CCCC1=N2

STK573982
Synonyms: (4E)-5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(prop-2-en-1-yl)pyrrolidine-2,3-dione
Smiles: C=CCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1)Cl

STK573986
Synonyms: 2-[2-(benzyloxy)-4-chlorophenoxy]-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Smiles: COc1cc2c(cc1OC)CCn1c2cc(Oc2ccc(cc2OCc2ccccc2)Cl)nc1=O

STK573987
Synonyms: (3a'S,6a'R)-5'-cycloheptyl-5-ethyl-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: CCc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)C1CCCCCC1)C(O)C)C(=O)N2

STK573990
Synonyms: 4-{[(2Z)-3-(4-bromo-2,6-dimethylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)/N=C/1\SC2C(N1c1c(C)cc(cc1C)Br)CS(=O)(=O)C2

STK573993
Synonyms: 5-chloro-2-methoxy-N-[(2E)-6-nitro-1,3-benzothiazol-2(3H)-ylidene]benzamide
Smiles: COc1ccc(cc1C(=O)/N=c\1/sc2c([nH]1)ccc(c2)[N+](=O)[O-])Cl

STK573995
Synonyms: N-(4-chloro-2-methylphenyl)-2-{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)Cl)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK573996
Synonyms: N-(4-chloro-2-methylphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)Cl)CSc1nnc(n1c1ccccc1)COc1ccc(cc1)C

STK573997
Synonyms: 2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)C(F)(F)F)nnc1c1ccccc1F

STK573998
Synonyms: 2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-2-yl)ethanone
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)cccc3)nnc1COc1ccccc1

STK574001
Synonyms: 3-(4-fluorobenzyl)-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Fc1ccc(cc1)Cn1cnc2c(c1=O)n(C)c1c2cccc1

STK574004
Synonyms: 1-(2-fluorophenyl)-6-methoxy-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc2c(c1)oc1c(c2=O)C(N(C1=O)c1noc(c1)C)c1ccccc1F

STK574005
Synonyms: 3,4-dimethyl-9-(pyridin-3-ylmethyl)-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: O=c1oc2c3CN(COc3ccc2c(c1C)C)Cc1cccnc1

STK574007
Synonyms: N'-[(E)-(2-hydroxy-6-methylquinolin-3-yl)methylidene]pyridine-4-carbohydrazide
Smiles: Cc1ccc2c(c1)cc(c(n2)O)/C=N/NC(=O)c1ccncc1

STK574008
Synonyms: (3,3-dimethylbicyclo[2.2.1]hept-2-yl)methyl4-nitrobenzoate
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])OCC1C2CCC(C1(C)C)C2

STK574009
Synonyms: 6-chloro-4-oxo-N-(pyridin-3-yl)-4H-chromene-2-carboxamide
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1cccnc1

STK574012
Synonyms: 5-{[(2Z)-3-(4-chloro-2-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoicacid
Smiles: COc1cc(Cl)ccc1N1/C(=N/C(=O)CCCC(=O)O)/SC2C1CS(=O)(=O)C2

STK574013
Synonyms: 5-(2-bromophenyl)-4-{[(E)-(2-hydroxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Oc1ccccc1/C=N/n1c(=S)[nH]nc1c1ccccc1Br

STK574014
Synonyms: (3S)-N-[(2S)-4-methyl-1-oxo-1-{[4-(propan-2-yl)phenyl]amino}pentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CC(C[C@@H](C(=O)Nc1ccc(cc1)C(C)C)NC(=O)[C@H]1NCc2c(C1)cccc2)C

STK574015
Synonyms: 1-(4-fluorophenyl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)F)nnc1c1nccnc1

STK574017
Synonyms: 2,2-dimethyl-5-(2-methylpropyl)-N-(tetrahydrofuran-2-ylmethyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-amine
Smiles: CC(Cc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCC1CCCO1)C

STK574018
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(1,3-benzodioxol-5-yl)ethylidene]-5-{[methyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CN(c1ccccc1)C)c1nonc1N)N/N=C(/c1ccc2c(c1)OCO2)\C

STK574020
Synonyms: (2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)-N-(pyridin-3-yl)butanamide
Smiles: O=c1n(cnc2c1cccc2)[C@H](C(=O)Nc1cccnc1)C(C)C

STK574021
Synonyms: 5-[(2E)-3-(4-bromophenyl)prop-2-enoyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-2,6-dihydroxypyrimidin-4(3H)-one
Smiles: Brc1ccc(cc1)/C=C/C(=O)c1c(O)nc(n(c1=O)CCC1=CCCCC1)O

STK574022
Synonyms: 2-{[4-(4-chlorophenyl)-3-cyano-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-cyclopropylacetamide
Smiles: N#CC1=C(SCC(=O)NC2CC2)N=C2C(=C(O)CCC2)C1c1ccc(cc1)Cl

STK574023
Synonyms: (5Z)-2-hydroxy-5-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-phenyl-3,5-dihydro-4H-imidazol-4-one
Smiles: COc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\N=C(N(C1=O)c1ccccc1)O

STK574024
Synonyms: 3-[(2-chlorobenzyl)sulfanyl]-4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole
Smiles: Cc1ccc(cc1)OCc1nnc(n1Cc1ccco1)SCc1ccccc1Cl

STK574025
Synonyms: N-(2,4-difluorophenyl)-1-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-prolinamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1F)F

STK574026
Synonyms: methyl2-[2-(9-methoxy-6H-indolo[2,3-b]quinoxalin-6-yl)ethoxy]benzoate
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccccc1C(=O)OC

STK574027
Synonyms: 3-(3-chlorophenyl)-4-(4-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
Smiles: Cc1ccc(cc1)n1c(SC/C=C/c2ccccc2)nnc1c1cccc(c1)Cl

STK574030
Synonyms: 4-(2,5-dimethoxyphenyl)-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)n1c1cc(OC)ccc1OC

STK574031
Synonyms: N-(2-methoxyphenyl)-4-methyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: COc1ccccc1N(S(=O)(=O)c1ccc(cc1)C)Cc1cc2ccc(cc2[nH]c1=O)C

STK574034
Synonyms: 2-methyl-N-[(2E)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]-3-nitrobenzamide
Smiles: O=C(c1cccc(c1C)[N+](=O)[O-])/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)C

STK574035
Synonyms: 1,3-dimethyl-7-(2-methylbenzyl)-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN1CCN(CC1)Cc1nc2c(n1Cc1ccccc1C)c(=O)n(c(=O)n2C)C

STK574036
Synonyms: 1-(4-ethoxyphenyl)-N-(3-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCOc1ccc(cc1)c1c(C(=O)Nc2cccc(c2)C)n2c3c1CCCCn3c(c2)c1ccccc1

STK574037
Synonyms: 2-methyl-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide
Smiles: CC(C(=O)N(Cc1cc2cccc(c2[nH]c1=O)C)Cc1cccnc1)C

STK574038
Synonyms: 2,2-diphenyl-N-[3-(1H-tetrazol-1-yl)phenyl]acetamide
Smiles: O=C(C(c1ccccc1)c1ccccc1)Nc1cccc(c1)n1cnnn1

STK574039
Synonyms: N-(4-ethoxyphenyl)-4-fluoro-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: CCOc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)F)Cc1cc2cc(OC)ccc2[nH]c1=O

STK574040
Synonyms: 6-hydroxy-3-methyl-8-[4-(3-methylbenzyl)piperazin-1-yl]-7-propyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1cccc(c1)C

STK574041
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3,4-dimethoxyphenyl)carbonyl]-2'-(pyridin-3-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccnc1)C(=O)Nc1c2cccc1)cccc3

STK574042
Synonyms: dimethyl(1,3-thiazol-2-ylcarbamoyl)phosphoramidate
Smiles: COP(=O)(NC(=O)Nc1nccs1)OC

STK574043
Synonyms: 6-amino-1-(4-fluorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
Smiles: N#Cc1c(N)nc2c(c1c1cc(OC)c(c(c1)OC)OC)c(C)nn2c1ccc(cc1)F

STK574044
Synonyms: (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(4-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Brc1ccc(cc1)N1C(=S)S/C(=C\c2nc3c([nH]2)cccc3)/C1=O

STK574045
Synonyms: methyl(1-{3-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-3-oxopiperazin-2-yl)acetate
Smiles: COC(=O)CC1C(=O)NCCN1c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CC)C

STK574047
Synonyms: 6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)-1,3-benzoxazol-2(3H)-one
Smiles: O=c1[nH]c2c(o1)cc(cc2)S(=O)(=O)N1CCC2(CC1)OCCO2