FULL DB

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

STK536048
Synonyms: dipropan-2-yl({[(3-chlorophenyl)carbamoyl]oxy}methyl)phosphonate
Smiles: O=C(Nc1cccc(c1)Cl)OCP(=O)(OC(C)C)OC(C)C

STK536049
Synonyms: (2Z,5E)-2-hydroxy-6-(4-methoxyphenyl)-4-oxohexa-2,5-dienoicacid
Smiles: COc1ccc(cc1)/C=C/C(=O)/C=C(/C(=O)O)\O

STK838265
Synonyms: 5-cyano-6-(ethylsulfanyl)-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: CCSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1OC)c1ccccc1

STK838267
Synonyms: 1-(4-chlorophenyl)-7,7-dimethyl-N-[3-(morpholin-4-yl)propyl]-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: Clc1ccc(cc1)n1c2CC(C)(C)CC(=O)c2cc(c1=O)C(=O)NCCCN1CCOCC1

STK536059
Synonyms: 2-[(3-phenylpropanoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylicacid
Smiles: O=C(Nc1sc2c(c1C(=O)O)CCC2)CCc1ccccc1

STK536060
Synonyms: 4-[4-(diphenylmethyl)piperazin-1-yl]-8-methoxy-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)C(c1ccccc1)c1ccccc1

STK838275
Synonyms: 2-{[3-cyano-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: CCOc1ccc(cc1OC)C1CC(=O)NC(=C1C#N)SCC(=O)Nc1cccc2c1cccc2

STK838277
Synonyms: (4Z)-2-(naphthalen-2-yl)-4-(2,3,4-trimethoxybenzylidene)-1,3-oxazol-5(4H)-one
Smiles: COc1ccc(c(c1OC)OC)/C=C/1\N=C(OC1=O)c1ccc2c(c1)cccc2

STK838278
Synonyms: 8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(SC/C=C(\Cl)/C)nc2c1c(=O)n(c(=O)n2C)C

STK536070
Synonyms: (4E)-4-(4-propoxybenzylidene)-2-(thiophen-2-yl)-1,3-oxazol-5(4H)-one
Smiles: CCCOc1ccc(cc1)/C=C\1/N=C(OC1=O)c1cccs1

STK536073
Synonyms: 5-[(4-iodophenyl)amino]-5-oxopentane-1,2,3,4-tetrayltetraacetate(non-preferredname)
Smiles: O=C(C(C(C(OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)Nc1ccc(cc1)I

STK536076
Synonyms: 3-chloro-N',N'-dimethylbenzohydrazide
Smiles: CN(NC(=O)c1cccc(c1)Cl)C

STK536077
Synonyms: methyl4-{[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)Nc1cc(C)nc(n1)c1ccccc1O

STK536080
Synonyms: 5-[(2-methoxyphenyl)amino]-5-oxopentane-1,2,3,4-tetrayltetraacetate(non-preferredname)
Smiles: COc1ccccc1NC(=O)C(C(C(OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C

STK536089
Synonyms: 5-amino-2-(furan-2-yl)-1-phenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile
Smiles: N#CC1=C(N)N(C(C1(C#N)C#N)c1ccco1)c1ccccc1

STK536092
Synonyms: 5-ethyl-1,3-bis[(2-fluorophenyl)carbonyl]-5-(pentan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCCC(C1(CC)C(=O)N(C(=O)N(C1=O)C(=O)c1ccccc1F)C(=O)c1ccccc1F)C

STK536094
Synonyms: 4-(4-tert-butylphenoxy)-2-(pyridin-4-yl)quinazoline
Smiles: CC(c1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccncc1)(C)C

STK838286
Synonyms: 5-cyano-6-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1)c1ccco1

STK838287
Synonyms: 2-[(3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)Cl)NC(=O)CC1c1ccccc1

STK536098
Synonyms: 3-ethyl-N-(1H-tetrazol-5-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Smiles: CCC12CC3CC(C1)CC(C2)(C3)C(=O)Nc1nnn[nH]1

STK536099
Synonyms: {[1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}aceticacid
Smiles: CC(=C)Cn1c(SCC(=O)O)nc2c1c(=O)n(c(=O)n2C)C

STK838288
Synonyms: [3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl](4-fluorophenyl)methanone
Smiles: Fc1ccc(cc1)C(=O)c1sc2c(c1N)c(c1ccc(o1)C)c1c(n2)CCCC1

STK838291
Synonyms: N-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]heptanamide
Smiles: CCCCCCC(=O)N/C=C/1\C(=O)c2c(C1=O)cccc2

STK838293
Synonyms: 2,2'-octane-1,8-diylbis(1H-benzimidazole)
Smiles: C(CCCc1nc2c([nH]1)cccc2)CCCCc1nc2c([nH]1)cccc2

STK838296
Synonyms: 3-chloro-N-(2-chloropyridin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: O=C(c1nn2c(c1Cl)NC(CC2C(F)(F)F)c1ccco1)Nc1cccnc1Cl

STK536106
Synonyms: ethyl(8S,8aR,11aS,11bS)-10-(4-chlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxylate
Smiles: CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1ccc(cc1)Cl

STK536111
Synonyms: N'~2~,N'~6~-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]pyridine-2,6-dicarbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2cccc(n2)C(=O)N/N=C/c2ccc(c(c2)OC)O)ccc1O

STK838301
Synonyms: N-[(1E)-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]furan-2-carboxamide
Smiles: O=C(/C(=C\c1cccs1)/NC(=O)c1ccco1)NCCc1c[nH]c2c1cccc2

STK536117
Synonyms: 3-(3-tert-butyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxybenzenesulfonamide
Smiles: CCOc1ccc(cc1c1nc2c(c(=O)[nH]1)n(nc2C(C)(C)C)C)S(=O)(=O)N

STK536122
Synonyms: (2Z)-2-{1-[(2-hydroxyphenyl)amino]ethylidene}-1-benzothiophen-3(2H)-one
Smiles: Oc1ccccc1N/C(=C/1\Sc2c(C1=O)cccc2)/C

STK536125
Synonyms: 5-cyano-6-({2-[(4-iodophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)I)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1)C

STK838309
Synonyms: methyl2-{[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)Cn2nc(c(c2C)Cl)[N+](=O)[O-])sc2c1CCCC2

STK536134
Synonyms: N'-[(E)-(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzo[b,d]furan-1-yl)methylidene]-4-methylbenzenesulfonohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)N/N=C/c1c2c(oc3c2CCCC3)cc(c1O)[N+](=O)[O-]

STK838314
Synonyms: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Smiles: N#Cc1c(NC(=O)Cn2nc(c(c2C)Br)[N+](=O)[O-])sc2c1CCC(C2)C

STK536140
Synonyms: methyl3-{[2-(4-cyclohexylpiperazin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)C1CCCCC1)C)cccc2

STK536142
Synonyms: 1-butyl-5-methoxy-2-methyl-1H-indole-3-carboxylicacid
Smiles: CCCCn1c2ccc(cc2c(c1C)C(=O)O)OC

STK536148
Synonyms: 1-octylpyridin-4(1H)-imine
Smiles: CCCCCCCCn1ccc(=N)cc1

STK536149
Synonyms: N,N-dibenzyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Smiles: COc1cccc(c1)c1cc(n2c(n1)c(cn2)C(=O)N(Cc1ccccc1)Cc1ccccc1)C(F)(F)F

STK536155
Synonyms: methyl3-[(azepan-1-ylacetyl)amino]-5-chloro-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCCCCC1)cc(cc2)Cl

STK838324
Synonyms: methyl4-{(Z)-[2-(furan-2-yl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)/C=C/1\N=C(OC1=O)c1ccco1

STK838327
Synonyms: N-butyl-2-(methylsulfanyl)-1H-benzimidazole-1-carboxamide
Smiles: CCCCNC(=O)n1c(SC)nc2c1cccc2

STK838330
Synonyms: 2-[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]-4-methylphenol
Smiles: Clc1ccc(cc1)C1=Nc2ccccc2N=C(C1)c1cc(C)ccc1O

STK838332
Synonyms: propyl{[3-cyano-4-(4-ethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: CCCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)CC

STK536164
Synonyms: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-bromo-5H-pyrimido[5,4-b]indole
Smiles: Brc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK838336
Synonyms: (2Z,2'Z)-N,N'-benzene-1,4-diylbis(2-hydroxy-4-oxo-4-phenylbut-2-enamide)
Smiles: O=C(/C(=C/C(=O)c1ccccc1)/O)Nc1ccc(cc1)NC(=O)/C(=C/C(=O)c1ccccc1)/O

STK838337
Synonyms: 5-(4-bromophenyl)-3-chloro-N-cyclohexyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: Brc1ccc(cc1)C1CC(n2c(N1)c(Cl)c(n2)C(=O)NC1CCCCC1)C(F)(F)F

STK838339
Synonyms: (4Z,7E)-N,N'-dihydroxy-2-phenyl-5,6-dihydro-2H-benzotriazole-4,7-diimine
Smiles: O/N=C/1\CC/C(=N/O)/c2c1nn(n2)c1ccccc1

STK536167
Synonyms: 4-(dimethylamino)butan-2-yldiphenylacetate
Smiles: CN(CCC(OC(=O)C(c1ccccc1)c1ccccc1)C)C

STK838343
Synonyms: 3,5-bis(4-chlorobenzyl)-1,2,4-oxadiazole
Smiles: Clc1ccc(cc1)Cc1onc(n1)Cc1ccc(cc1)Cl

STK536170
Synonyms: 5-[(3-methylphenyl)amino]-5-oxopentane-1,2,3,4-tetrayltetraacetate(non-preferredname)
Smiles: CC(=O)OC(C(C(OC(=O)C)COC(=O)C)OC(=O)C)C(=O)Nc1cccc(c1)C

STK536171
Synonyms: ethyl3-{[2-(4-cyclohexylpiperazin-1-yl)propanoyl]amino}-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)C1CCCCC1)C)cc(cc2)OC

STK536174
Synonyms: 2,2'-({4-[2-(morpholin-4-yl)ethoxy]phenyl}methanediyl)bis[5-(4-methoxyphenyl)cyclohexane-1,3-dione]
Smiles: COc1ccc(cc1)C1CC(=O)C(C(=O)C1)C(C1C(=O)CC(CC1=O)c1ccc(cc1)OC)c1ccc(cc1)OCCN1CCOCC1

STK838344
Synonyms: 3-amino-N-(4-methoxyphenyl)-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccc(o1)C)c1c(n2)CCCC1

STK536175
Synonyms: 3,3'-[sulfonylbis(benzene-4,1-diyloxy)]bis[1-(azepan-1-yl)propan-2-ol]
Smiles: OC(CN1CCCCCC1)COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OCC(CN1CCCCCC1)O

STK536176
Synonyms: ethyl(8S,8aR,11aS,11bS)-9,11-dioxo-10-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxylate
Smiles: CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1ccccc1

STK838346
Synonyms: methyl({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate
Smiles: COC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)C(C)C

STK536179
Synonyms: 2,2'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis[N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)acetamide]
Smiles: O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)CN1CCOCCOCCN(CCOCCOCC1)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O

STK838349
Synonyms: N-(2-methylphenyl)-N'-[(2Z)-3-oxo-1-benzothiophen-2(3H)-ylidene]acetohydrazide
Smiles: Cc1ccccc1N(C(=O)C)/N=C/1\Sc2c(C1=O)cccc2

STK838355
Synonyms: N,N'-bis(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide
Smiles: CCCc1nnc(s1)NC(=O)c1cccc(n1)C(=O)Nc1nnc(s1)CCC

STK536183
Synonyms: methyl3-({[4-(2-hydroxyethyl)piperazin-1-yl]acetyl}amino)-5,6-dimethoxy-1H-indole-2-carboxylate
Smiles: OCCN1CCN(CC1)CC(=O)Nc1c([nH]c2c1cc(OC)c(c2)OC)C(=O)OC

STK838356
Synonyms: 2-{[3-cyano-4-(4-ethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)N)NC(=O)CC1c1ccc(cc1)CC

STK838358
Synonyms: 16-(4-chlorophenyl)-15-oxadispiro[5.1.5.3]hexadecane-7,14-dione
Smiles: Clc1ccc(cc1)C1OC(=O)C2(C(=O)C31CCCCC3)CCCCC2

STK838359
Synonyms: 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
Smiles: O=C(Nc1nncs1)CCN1C(=O)c2c(C1=O)cccc2

STK838360
Synonyms: 1-(3,4-dichlorophenyl)-3-[5-fluoro-4-oxo-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-yl]urea
Smiles: O=C(NC1=NC(=O)C(S1)(F)C(F)(F)F)Nc1ccc(c(c1)Cl)Cl

STK536186
Synonyms: (4Z)-2-(3-bromophenyl)-4-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-oxazol-5(4H)-one
Smiles: Brc1cccc(c1)C1=N/C(=C\c2c(C)nn(c2Cl)c2ccccc2)/C(=O)O1

STK536189
Synonyms: 4,7-bis(5-methyl-1,2-oxazol-3-yl)[1,2,5]oxadiazolo[3,4-d]pyridazine1-oxide
Smiles: Cc1onc(c1)c1nnc(c2c1[n+]([O-])on2)c1noc(c1)C

STK536191
Synonyms: 8-[(2E)-2-benzylidenehydrazinyl]-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCn1c(N/N=C/c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK838363
Synonyms: 2-hydroxy-2-phenylpentanamide
Smiles: CCCC(c1ccccc1)(C(=O)N)O

STK536196
Synonyms: (4Z)-2-(3,5-dichlorophenyl)-5-methyl-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1cc(Cl)cc(c1)N1N=C(/C(=C/c2ccc(o2)c2ccc3c(c2)COC3=O)/C1=O)C

STK536197
Synonyms: 5-ethyl-2-{[(2-iodophenyl)carbonyl]amino}thiophene-3-carboxylicacid
Smiles: CCc1cc(c(s1)NC(=O)c1ccccc1I)C(=O)O

STK536200
Synonyms: 1-[6-chloro-2-(morpholin-4-yl)-8-nitro-2H-chromen-3-yl]-2-methylpropan-1-one
Smiles: Clc1cc2C=C(C(=O)C(C)C)C(Oc2c(c1)[N+](=O)[O-])N1CCOCC1

STK536202
Synonyms: 1-(4-ethoxyphenyl)-3-(methylamino)pyrrolidine-2,5-dione
Smiles: CCOc1ccc(cc1)N1C(=O)CC(C1=O)NC

STK536209
Synonyms: 2-(2,6-dimethoxyphenoxy)-N'-[(E)-(4-hydroxyphenyl)methylidene]acetohydrazide
Smiles: COc1cccc(c1OCC(=O)N/N=C/c1ccc(cc1)O)OC

STK536210
Synonyms: 4-{[(E)-(2-bromophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: Brc1ccccc1/C=N/c1c(C)n(n(c1=O)c1ccccc1)C

STK536216
Synonyms: 4-nitro-2-[(E)-(quinoxalin-6-ylimino)methyl]phenol
Smiles: Oc1ccc(cc1/C=N/c1ccc2c(c1)nccn2)[N+](=O)[O-]

STK536219
Synonyms: 5-[(2-bromoethyl)amino]-3-methyl-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: BrCCNc1cc(C)c2c3c1C(=O)c1ccccc1c3on2

STK536221
Synonyms: N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
Smiles: c1ccc(cc1)CNc1nc(nc2c1cccc2)c1cccnc1

STK536222
Synonyms: 2,2'-[(1,6-dioxohexane-1,6-diyl)diimino]bis[4-(4-bromophenyl)thiophene-3-carboxylicacid]
Smiles: O=C(Nc1scc(c1C(=O)O)c1ccc(cc1)Br)CCCCC(=O)Nc1scc(c1C(=O)O)c1ccc(cc1)Br

STK838372
Synonyms: 4-(4-chlorophenoxy)-2-(pyridin-4-yl)quinazoline
Smiles: Clc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccncc1

STK536223
Synonyms: 9-methyl-2-[(2-methylphenoxy)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)COc1ccccc1C

STK838376
Synonyms: N'-(3-chlorophenyl)-2,2-bis(4-chlorophenyl)-2-hydroxyacetohydrazide
Smiles: Clc1ccc(cc1)C(c1ccc(cc1)Cl)(C(=O)NNc1cccc(c1)Cl)O

STK838377
Synonyms: N-cyclohexyl-6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide
Smiles: [O-][N+](=O)c1ccc2c(c1)oc(=O)n2C(=O)NC1CCCCC1

STK838379
Synonyms: benzyl{[3-cyano-4-(2,4-dichlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)CC1c1ccc(cc1Cl)Cl

STK536231
Synonyms: 8-bromo-4-(4-phenylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole
Smiles: Brc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1ccccc1

STK536234
Synonyms: N'-[1H-indol-3-yl(oxo)acetyl]-4-nitrobenzohydrazide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])NNC(=O)C(=O)c1c[nH]c2c1cccc2

STK536236
Synonyms: ethyl6a-(4-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: CCOC(=O)C1=NNC2(C1C(=O)N(C2=O)c1ccc(cc1)C)c1ccc(cc1)Cl

STK838384
Synonyms: 4-(3-chlorophenyl)-2-(hexylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCCCCCSC1=C(C#N)C(CC(=O)N1)c1cccc(c1)Cl

STK536247
Synonyms: N-[2-(diethylamino)ethyl]-7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
Smiles: CCN(CCNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3)CC

STK536249
Synonyms: (2E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indazol-6-ylamino)prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)[nH]nc2)/c1scc(n1)c1cccc(c1)Br

STK838386
Synonyms: (4Z)-2-(naphthalen-1-yl)-4-(2,3,4-trimethoxybenzylidene)-1,3-oxazol-5(4H)-one
Smiles: COc1c(ccc(c1OC)OC)/C=C/1\N=C(OC1=O)c1cccc2c1cccc2

STK838389
Synonyms: N-[2-(1H-indol-3-yl)ethyl]-3-oxo-3H-benzo[f]chromene-2-carboxamide
Smiles: O=C(c1cc2c(oc1=O)ccc1c2cccc1)NCCc1c[nH]c2c1cccc2

STK536255
Synonyms: 3-butyl-8-[(E)-(hydroxyimino)(4-methylphenyl)methyl]-4,9-dimethyl-2H-furo[2,3-h]chromen-2-one
Smiles: CCCCc1c(=O)oc2c(c1C)ccc1c2c(C)c(o1)/C(=N/O)/c1ccc(cc1)C

STK536258
Synonyms: 5-(4-bromophenyl)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: CCOc1ccc(cc1)Oc1cc(NC(=O)c2cc3n(n2)c(cc(n3)c2ccc(cc2)Br)C(F)(F)F)cc(c1)[N+](=O)[O-]

STK536261
Synonyms: N-(furan-2-ylmethyl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Smiles: O=C(c1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)NCc1ccco1

STK838393
Synonyms: 3-amino-N-(3,4-dimethylphenyl)-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: Cc1ccc(o1)c1c2CCCCc2nc2c1c(N)c(s2)C(=O)Nc1ccc(c(c1)C)C

STK536264
Synonyms: 2-{[(3-methylphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylicacid
Smiles: Cc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)O)CCCC2

STK536265
Synonyms: {2-[3-(trifluoromethyl)phenyl]hydrazinylidene}propanedinitrile
Smiles: N#CC(=NNc1cccc(c1)C(F)(F)F)C#N

STK838395
Synonyms: 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2nccs2)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK838396
Synonyms: 3-amino-N-(4-ethoxyphenyl)-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccc(o1)C)c1c(n2)CCCC1

STK838397
Synonyms: 8-(ethylsulfanyl)-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(SCC)nc2c1c(=O)n(c(=O)n2C)C

STK536284
Synonyms: ethylN-(chloroacetyl)-2-{[4-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl]amino}-3,3,3-trifluoroalaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1ccc(cc1)C(C(F)(F)F)(C(=O)OCC)O)NC(=O)CCl

STK838405
Synonyms: ({[(E)-morpholin-4-yl(4-nitrophenyl)methylidene]amino}oxy)(phenyl)methanone
Smiles: O=C(c1ccccc1)O/N=C(\c1ccc(cc1)[N+](=O)[O-])/N1CCOCC1

STK838408
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(morpholin-4-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: Cc1n[nH]c(c1n1c(=O)c2ccc(c3c2c(c1=O)ccc3)N1CCOCC1)C

STK838412
Synonyms: (4Z)-2-(2-chlorophenyl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4H)-one
Smiles: O=C1OC(=N/C/1=C\c1cccs1)c1ccccc1Cl

STK838413
Synonyms: 5-(4-bromophenyl)-3-chloro-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1nn2c(c1Cl)NC(CC2C(F)(F)F)c1ccc(cc1)Br

STK838415
Synonyms: (2E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)OCO2)/c1scc(n1)c1ccc(cc1)CC

STK536298
Synonyms: 2-chloro-3-[(2,3-dimethylcyclohexyl)amino]naphthalene-1,4-dione
Smiles: CC1CCCC(C1C)NC1=C(Cl)C(=O)c2c(C1=O)cccc2

STK536299
Synonyms: ethyl4-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)C

STK838417
Synonyms: 2,2'-[(2-methoxyphenyl)methanediyl]bis(5-methylfuran)
Smiles: COc1ccccc1C(c1ccc(o1)C)c1ccc(o1)C

STK838420
Synonyms: benzyl{[3-cyano-4-(4-ethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)CC1c1ccc(cc1)CC

STK536309
Synonyms: 5-cyano-2-methyl-6-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C(C)C)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1)C

STK536311
Synonyms: methyl3-acetyl-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate
Smiles: COC(=O)C1CN(N=C1C(=O)C)c1ccc(cc1)[N+](=O)[O-]

STK536312
Synonyms: 2-ethyl-5,6,7,8-tetrahydro-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one
Smiles: CCc1oc(=O)c2c(n1)sc1c2CCCC1

STK536313
Synonyms: (1R,5S)-2-[(dibenzylphosphoryl)methyl]-6,6-dimethylbicyclo[3.1.1]heptan-3-one
Smiles: O=C1C[C@H]2C[C@@H](C1CP(=O)(Cc1ccccc1)Cc1ccccc1)C2(C)C

STK838423
Synonyms: 4-(4-methylpiperidin-1-yl)-2-(pyridin-3-yl)quinazoline
Smiles: CC1CCN(CC1)c1nc(nc2c1cccc2)c1cccnc1

STK536314
Synonyms: 5-bromo-6-(4-bromophenyl)-3-(diphenylamino)-2-phenyl-2,3-dihydro-4H-1,3-oxazin-4-one
Smiles: Brc1ccc(cc1)C1=C(Br)C(=O)N(C(O1)c1ccccc1)N(c1ccccc1)c1ccccc1

STK536315
Synonyms: N-(3-oxo-3-phenylpropyl)glycine
Smiles: O=C(c1ccccc1)CCNCC(=O)O

STK536317
Synonyms: methyl(2Z)-5-[methyl(phenyl)amino]-4,5-dioxo-2-(phenylamino)-3-(phenylcarbonyl)pent-2-enoate
Smiles: COC(=O)/C(=C(/C(=O)C(=O)N(c1ccccc1)C)\C(=O)c1ccccc1)/Nc1ccccc1

STK838425
Synonyms: 2-{4-[(2,4-dimethoxyphenyl)amino]quinazolin-2-yl}phenol
Smiles: COc1cc(OC)ccc1Nc1nc(nc2c1cccc2)c1ccccc1O

STK838426
Synonyms: 2-{[3-cyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: CCOc1ccccc1C1CC(=O)NC(=C1C#N)SCC(=O)Nc1nccs1

STK536323
Synonyms: 4-amino-6-methoxy-1,3,5-triazine-2-carboxylicacid
Smiles: COc1nc(N)nc(n1)C(=O)O

STK536325
Synonyms: 2,4-dihydroxy-N'-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzo[b,d]furan-1-yl)methylidene]benzohydrazide
Smiles: Oc1ccc(c(c1)O)C(=O)N/N=C/c1c(O)ccc2c1c1CCCCc1o2

STK536327
Synonyms: methyl2-{[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Smiles: CCOc1cc(cc(c1O)/C=N/c1sc2c(c1C(=O)OC)CCN(C2)C)[N+](=O)[O-]

STK536328
Synonyms: ethyl4-(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)Br

STK536334
Synonyms: 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)CC)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

STK838431
Synonyms: 2-(benzylsulfanyl)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCc2ccccc2)NC(=O)CC1c1cc(Br)c(c(c1)OC)O

STK838432
Synonyms: 2,2-bis(4-ethylphenyl)-2-hydroxy-N'-[(1E)-1-phenylbutylidene]acetohydrazide
Smiles: CCC/C(=N\NC(=O)C(c1ccc(cc1)CC)(c1ccc(cc1)CC)O)/c1ccccc1

STK536337
Synonyms: 2-bromo-4-nitro-6-[(E)-(quinolin-6-ylimino)methyl]phenol
Smiles: Brc1cc(cc(c1O)/C=N/c1ccc2c(c1)cccn2)[N+](=O)[O-]

STK536340
Synonyms: 4-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
Smiles: CC1CCN(CC1)c1nc(cc(n1)c1ccc(cc1)Cl)C(F)(F)F

STK536344
Synonyms: 2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(C(N1)(O)C(F)(F)F)C(=O)c1cccs1)c1ccccc1Cl

STK838437
Synonyms: 3-bromo-N-[3-(1H-imidazol-1-yl)propyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: O=C(c1nn2c(c1Br)nc(cc2C(F)(F)F)c1cccs1)NCCCn1cncc1

STK536349
Synonyms: N-(biphenyl-4-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Smiles: Cn1nc(c(c1)[N+](=O)[O-])C(=O)Nc1ccc(cc1)c1ccccc1

STK536350
Synonyms: 4,4'-dinitro-3,3'-bi-1,2,5-oxadiazole
Smiles: [O-][N+](=O)c1nonc1c1nonc1[N+](=O)[O-]

STK838442
Synonyms: 1,1'-[methanediylbis(2-chlorobenzene-4,1-diyl)]bis(1H-pyrrole-2,5-dione)
Smiles: O=C1C=CC(=O)N1c1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N1C(=O)C=CC1=O

STK838443
Synonyms: 2-(4-nitrophenyl)-2-oxoethylN-(thiophen-2-ylcarbonyl)glycinate
Smiles: O=C(CNC(=O)c1cccs1)OCC(=O)c1ccc(cc1)[N+](=O)[O-]

STK838444
Synonyms: N'-(3-methyl-4-nitro-1H-pyrazol-5-yl)benzohydrazide
Smiles: O=C(c1ccccc1)NNc1[nH]nc(c1[N+](=O)[O-])C

STK536357
Synonyms: (4S,5R)-3-cyano-6-oxo-4-phenyl-5-[4-(pyridin-4-yl)pyridinium-1-yl]-1,4,5,6-tetrahydropyridin-2-olate
Smiles: N#CC1=C([O-])NC(=O)[C@@H]([C@H]1c1ccccc1)[n+]1ccc(cc1)c1ccncc1

STK838445
Synonyms: (3E)-3-{[(4-ethoxyphenyl)amino](phenyl)methylidene}-1-(morpholin-4-yl)-4-phenylbutane-1,2,4-trione
Smiles: CCOc1ccc(cc1)N/C(=C(\C(=O)c1ccccc1)/C(=O)C(=O)N1CCOCC1)/c1ccccc1

STK838446
Synonyms: N-(benzylcarbamoyl)pyridine-4-carboxamide
Smiles: O=C(NC(=O)c1ccncc1)NCc1ccccc1

STK536363
Synonyms: 2-butyl-N'-[(1E)-1-(4-ethoxyphenyl)ethylidene]-2-hydroxyhexanehydrazide
Smiles: CCCCC(C(=O)N/N=C(/c1ccc(cc1)OCC)\C)(CCCC)O

STK536365
Synonyms: 2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(1H-indol-3-yl)propan-1-one
Smiles: CC(C(=O)c1c[nH]c2c1cccc2)N1CCc2c(C1)cccc2

STK838451
Synonyms: 2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol
Smiles: Oc1ccccc1c1n[nH]c(c1)c1ccccc1[N+](=O)[O-]

STK838452
Synonyms: 4-{[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxy}benzonitrile
Smiles: N#Cc1ccc(cc1)Oc1cc(C)nc(n1)c1ccccc1O

STK838453
Synonyms: methyl{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Smiles: C=CCn1c(SCC(=O)OC)nc2c1c(=O)n(c(=O)n2C)C

STK536373
Synonyms: 5-phenyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-6H-1,3,4-thiadiazine
Smiles: c1ccc(cc1)C1=NN=C(SC1)N/N=C/c1cccs1

STK838457
Synonyms: propan-2-yl6-amino-5-cyano-4-(4-ethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
Smiles: CCOc1ccc(cc1)C1C(=C(C)OC(=C1C#N)N)C(=O)OC(C)C

STK838461
Synonyms: 6-methyl-2-(morpholin-4-yl)-N-phenylpyrimidin-4-amine
Smiles: Cc1cc(Nc2ccccc2)nc(n1)N1CCOCC1

STK536383
Synonyms: ethylN-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoro-2-(propanoylamino)alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1cc(ccc1OC)C(C(F)(F)F)(C(=O)OCC)O)NC(=O)CC

STK536386
Synonyms: N'-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzo[b,d]furan-1-yl)methylidene]furan-2-carbohydrazide
Smiles: Oc1ccc2c(c1/C=N/NC(=O)c1ccco1)c1CCCCc1o2

STK536395
Synonyms: N-cyclohexyl-2-thioxo-1,3-benzoxazole-3(2H)-carboxamide
Smiles: O=C(n1c(=S)oc2c1cccc2)NC1CCCCC1

STK838469
Synonyms: 3-amino-N-(4-ethylphenyl)-4-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: CCc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccc(cc1)C(C)C)c1c(n2)CCCC1

STK838472
Synonyms: 5-cyano-6-({2-[(3-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)F)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

STK838473
Synonyms: 5-cyano-6-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2C)C)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1)C

STK536406
Synonyms: morpholin-4-yl[2-(piperidin-1-yl)quinolin-4-yl]methanone
Smiles: O=C(c1cc(nc2c1cccc2)N1CCCCC1)N1CCOCC1

STK838476
Synonyms: 2-hydroxy-4-methyl-2-(2-methylpropyl)-N'-phenylpentanehydrazide
Smiles: CC(CC(C(=O)NNc1ccccc1)(CC(C)C)O)C

STK838477
Synonyms: 2-[(4-oxo-3,5-diphenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide
Smiles: NNC(=O)CSc1nc2scc(c2c(=O)n1c1ccccc1)c1ccccc1

STK536419
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)NC(C(C1c1ccccc1Cl)C(=O)c1cccs1)(O)C(F)(F)F

STK536422
Synonyms: 1-{(E)-[(4-methylpyridin-2-yl)imino]methyl}-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-ol
Smiles: Cc1ccnc(c1)/N=C/c1c(O)ccc2c1c1CCCCc1o2

STK536423
Synonyms: 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2OC)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK536427
Synonyms: 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
Smiles: CCCc1nnc(s1)NC(=O)CCN1C(=O)c2c(C1=O)cccc2

STK838482
Synonyms: ethyl5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
Smiles: CCOC(=O)c1nn2c(c1Cl)nc(cc2C(F)(F)F)c1ccc(cc1)Br

STK536435
Synonyms: (4Z)-2-(2-chloro-5-iodophenyl)-4-(3-methoxy-4-propoxybenzylidene)-1,3-oxazol-5(4H)-one
Smiles: CCCOc1ccc(cc1OC)/C=C/1\N=C(OC1=O)c1cc(I)ccc1Cl

STK536438
Synonyms: 4-amino-N-(4-chlorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
Smiles: O/N=C(/c1nonc1N)\Nc1ccc(cc1)Cl

STK536442
Synonyms: (2Z)-4-(4-methoxyphenyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]amino}but-2-enoicacid
Smiles: COc1ccc(cc1)C(=O)/C=C(/C(=O)O)\Nc1cccc(c1)C(F)(F)F

STK536444
Synonyms: 2,4-dibromo-6-[(E)-(quinolin-6-ylimino)methyl]phenol
Smiles: Brc1cc(/C=N/c2ccc3c(c2)cccn3)c(c(c1)Br)O

STK838487
Synonyms: 7-benzyl-8-(ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCSc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C

STK838489
Synonyms: (2Z)-2-hydroxy-N-(4-methoxyphenyl)-4-(4-methylphenyl)-4-oxobut-2-enamide
Smiles: COc1ccc(cc1)NC(=O)/C(=C/C(=O)c1ccc(cc1)C)/O

STK536447
Synonyms: methyl2-({[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(sc2c1CCCC2)NC(=O)c1nn2c(c1Cl)nc(cc2C(F)(F)F)c1ccccc1

STK536448
Synonyms: 3,6-diamino-5-cyano-N-(3,4-dichlorophenyl)-4-[4-(propan-2-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: N#Cc1c(N)nc2c(c1c1ccc(cc1)C(C)C)c(N)c(s2)C(=O)Nc1ccc(c(c1)Cl)Cl

STK838496
Synonyms: 5-cyano-6-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1)c1ccccc1

STK536452
Synonyms: 3-(1-methyl-1H-indol-3-yl)-2-nitro-1,3-diphenylpropan-1-one
Smiles: Cn1cc(c2c1cccc2)C(C(C(=O)c1ccccc1)[N+](=O)[O-])c1ccccc1

STK838498
Synonyms: methyl3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
Smiles: COC(=O)c1cc2c(s1)n(nc2C)c1ccccc1

STK536453
Synonyms: 5-amino-7-oxo-3-phenyl-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Smiles: CCCC1C(c2ccccc2)C(C#N)(C#N)C2(CC1(N)NC2=O)C#N

STK536457
Synonyms: N,N,N',N'-tetramethyltetrahydrothiophene-3,4-diamine1,1-dioxide
Smiles: CN(C1CS(=O)(=O)CC1N(C)C)C

STK536459
Synonyms: 4-(4-methoxyphenoxy)-2-(pyridin-3-yl)quinazoline
Smiles: COc1ccc(cc1)Oc1nc(nc2c1cccc2)c1cccnc1

STK536460
Synonyms: N-[(1Z)-3-(2-chlorophenyl)-2-cyano-1-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-oxo-5-phenylpent-1-en-1-yl]benzamide
Smiles: N#C/C(=C(/NC(=O)c1ccccc1)\SCC(=O)Nc1ccc(cc1)C)/C(c1ccccc1Cl)CC(=O)c1ccccc1

STK536461
Synonyms: (2E)-2-[(2-ammoniophenyl)amino]-4-oxo-4-phenylbut-2-enoate
Smiles: [O-]C(=O)/C(=C\C(=O)c1ccccc1)/Nc1ccccc1[NH3+]

STK536462
Synonyms: propan-2-yl3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
Smiles: CC(OC(=O)c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccc(o1)Br)C

STK838507
Synonyms: 2-(2-chlorophenyl)-5-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
Smiles: COc1ccc(cc1)c1csc2c1c(=O)oc(n2)c1ccccc1Cl

STK536474
Synonyms: ethyl1-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)C(C(=O)c1c[nH]c2c1cccc2)C

STK536476
Synonyms: 2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2)NC(C(C1c1ccccc1Cl)C(=O)c1cccs1)(O)C(F)(F)F

STK536477
Synonyms: 6-(3-methoxyphenyl)diindeno[1,2-b:2',1'-e]pyridine-5,7-dione
Smiles: COc1cccc(c1)c1c2c(=O)c3c(c2nc2c1c(=O)c1c2cccc1)cccc3

STK838511
Synonyms: ethyl[(2Z)-2-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl](oxo)acetate
Smiles: CCOC(=O)C(=O)N/N=C\1/c2ccccc2N(C1=O)C

STK838512
Synonyms: 1,3-dimethyl-8-[(3-methylbutyl)sulfanyl]-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=C)Cn1c(SCCC(C)C)nc2c1c(=O)n(c(=O)n2C)C

STK536482
Synonyms: 6-({2-[(4-butoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: CCCCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1C)c1cccs1

STK838514
Synonyms: ethyl(2Z)-3-[(3,4-difluorophenyl)amino]-2-nitroprop-2-enoate
Smiles: CCOC(=O)/C(=C/Nc1ccc(c(c1)F)F)/[N+](=O)[O-]

STK536483
Synonyms: 4-[4-(diphenylmethyl)piperazin-1-yl]-8-fluoro-5H-pyrimido[5,4-b]indole
Smiles: Fc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)C(c1ccccc1)c1ccccc1

STK536484
Synonyms: 2-(morpholin-4-yl)-N-phenylquinoline-4-carboxamide
Smiles: O=C(c1cc(nc2c1cccc2)N1CCOCC1)Nc1ccccc1

STK838518
Synonyms: 7-benzyl-1,3-dimethyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CNc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C

STK838520
Synonyms: 5-cyano-2-methyl-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2nccs2)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1)C

STK536492
Synonyms: (3Z)-3-(2-imino-3-methyl-5-oxoimidazolidin-4-ylidene)-5-nitro-1,3-dihydro-2H-indol-2-one
Smiles: N=C1NC(=O)/C(=C\2/C(=O)Nc3c2cc(cc3)[N+](=O)[O-])/N1C

STK536498
Synonyms: (2Z)-2-[(16E)-16-(2-carbamoylhydrazinylidene)docosan-7-ylidene]hydrazinecarboxamide
Smiles: CCCCCC/C(=N/NC(=O)N)/CCCCCCCC/C(=N/NC(=O)N)/CCCCCC

STK536508
Synonyms: 8-bromo-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
Smiles: COc1ccccc1N1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)Br

STK838522
Synonyms: ethyl{[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)C

STK838523
Synonyms: ethyl2-{[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Cn2cnc(n2)[N+](=O)[O-])sc2c1CCC2

STK536510
Synonyms: 4-chloro-N-{2-[(4,6-dimethoxypyrimidin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}benzamide
Smiles: COc1cc(OC)nc(n1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)c1ccc(cc1)Cl

STK536511
Synonyms: 2-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]oxy}-1H-isoindole-1,3(2H)-dione
Smiles: [O-][N+](=O)c1c(nc(nc1C)N1CCOCC1)ON1C(=O)c2c(C1=O)cccc2

STK838526
Synonyms: (2E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccccc1C(F)(F)F)/c1scc(n1)c1ccc(cc1)F

STK536514
Synonyms: (4E,5Z)-N,N'-dihydroxy-3-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-pyrazole-4,5-diimine
Smiles: O/N=C\1/C(=N/O)/NN=C1c1nonc1C

STK838533
Synonyms: N'-[1H-indol-1-yl(oxo)acetyl]-N-(3-methylphenyl)furan-2-carbohydrazide
Smiles: Cc1cccc(c1)N(C(=O)c1ccco1)NC(=O)C(=O)n1ccc2c1cccc2

STK838535
Synonyms: 1-(morpholin-4-yl)cyclohexanecarbonitrile
Smiles: N#CC1(CCCCC1)N1CCOCC1

STK838537
Synonyms: 3-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol
Smiles: Oc1cccc(c1)Nc1cc(Cl)c2c(c1[N+](=O)[O-])non2

STK838538
Synonyms: methyl2-({[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(sc2c1CCCC2)NC(=O)c1nn2c(c1Cl)nc(cc2C(F)(F)F)c1cccs1

STK536524
Synonyms: Nalpha-(ethoxycarbonyl)-N-(4-fluorophenyl)-D-tryptophanamide
Smiles: CCOC(=O)N[C@@H](C(=O)Nc1ccc(cc1)F)Cc1c[nH]c2c1cccc2

STK536525
Synonyms: 1,3-dimethyl-5-(nitroimino)hexahydroimidazo[4,5-d]imidazol-2(1H)-one
Smiles: [O-][N+](=O)/N=C/1\NC2C(N1)N(C(=O)N2C)C

STK838540
Synonyms: 5-nitro-N,N-diphenylfuran-2-carboxamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)c1ccc(o1)[N+](=O)[O-]

STK838542
Synonyms: 7-[(2E)-but-2-en-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C=C/Cn1cnc2c1c(=O)n(C)c(=O)n2C

STK536534
Synonyms: 2-[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]-5-methylphenol
Smiles: Clc1ccc(cc1)C1=Nc2ccccc2N=C(C1)c1ccc(cc1O)C

STK536540
Synonyms: (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCCN1CC=C2[C@H](C1)[C@@H](c1ccc(cc1[N+](=O)[O-])Cl)C(C(=C2C#N)N)(C#N)C#N

STK838543
Synonyms: 1-[5-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
Smiles: COc1ccc(cc1)C1CC(=NN1C(=O)C)c1ccc(o1)C

STK536546
Synonyms: N-tert-butyl-6-methyl-2-phenylquinoline-4-carboxamide
Smiles: Cc1ccc2c(c1)c(cc(n2)c1ccccc1)C(=O)NC(C)(C)C

STK536550
Synonyms: 5-(3-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)C(=Cc2cccc(c2)F)C(=O)N1

STK536553
Synonyms: 2-{[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzamide
Smiles: N#C/C(=C\Nc1ccccc1C(=O)N)/c1scc(n1)c1ccccc1

STK838554
Synonyms: 3-acetyl-2-methylnaphtho[1,2-b]furan-5-yl4-methylbenzoate
Smiles: Cc1ccc(cc1)C(=O)Oc1cc2c(C(=O)C)c(oc2c2c1cccc2)C

STK838555
Synonyms: 2-[2-(acetylamino)phenyl]-N-butyl-2-oxoacetamide
Smiles: CCCCNC(=O)C(=O)c1ccccc1NC(=O)C

STK536564
Synonyms: 2,6-di-tert-butyl-4-(3-phenylprop-2-yn-1-yl)phenol
Smiles: CC(c1cc(CC#Cc2ccccc2)cc(c1O)C(C)(C)C)(C)C

STK536582
Synonyms: 2-(2,6-dimethoxyphenoxy)-N'-[(E)-(2-hydroxyphenyl)methylidene]acetohydrazide
Smiles: COc1cccc(c1OCC(=O)N/N=C/c1ccccc1O)OC

STK838565
Synonyms: 4-methyl-2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol
Smiles: Cc1ccc(c(c1)C1=Nc2ccccc2N=C(C1)c1ccccc1)O

STK838568
Synonyms: 2,3-di(furan-2-yl)-6-methoxyquinoxaline
Smiles: COc1ccc2c(c1)nc(c(n2)c1ccco1)c1ccco1

STK526385
Synonyms: (2Z)-2-(furan-2-ylmethylidene)cyclopentanone
Smiles: O=C1CCC/C/1=C/c1ccco1

STK834103
Synonyms: N-(3,5-dimethyl-1H-pyrazol-4-yl)formamide
Smiles: O=CNc1c(C)n[nH]c1C

STK834316
Synonyms: 4-(piperidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxaline
Smiles: C1CCN(CC1)c1nc2ccccc2n2c1nnc2

STK529246
Synonyms: 6-bromo-5-methyl-1H-imidazo[4,5-b]pyridine-2-thiol
Smiles: Brc1cc2[nH]c(nc2nc1C)S

STK529378
Synonyms: 2-[(dimethylamino)methyl]pyridin-3-ol
Smiles: CN(Cc1ncccc1O)C

STK529821
Synonyms: N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)propanamide
Smiles: CCC(=O)Nn1c(C)nnc1C

STK530493
Synonyms: 3,4,5-trichloropyridine-2-carboxylicacid
Smiles: OC(=O)c1ncc(c(c1Cl)Cl)Cl

STK530885
Synonyms: 2-imino-1-methylimidazolidin-4-one
Smiles: O=C1NC(=N)N(C1)C

STK530988
Synonyms: 4-tert-butylcyclohexanone
Smiles: CC(C1CCC(=O)CC1)(C)C

STK836358
Synonyms: 7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Smiles: Cc1cc(C)c2c(n1)sc1c2nc[nH]c1=O

STK837899
Synonyms: 3,3'-(E)-diazene-1,2-diylbis(4-methyl-1,2,5-oxadiazole)
Smiles: Cc1nonc1/N=N/c1nonc1C

STK838569
Synonyms: 2-{[3-cyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Smiles: CCOc1ccccc1C1CC(=O)NC(=C1C#N)SCC(=O)Nc1ccc(cc1)Oc1ccccc1

STK536591
Synonyms: N-{4-chloro-2-[(3,4,5-trimethoxyphenyl)carbonyl]phenyl}-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
Smiles: COc1c(OC)cc(cc1OC)C(=O)c1cc(Cl)ccc1NC(=O)c1c(C)cc(=O)oc1C

STK536594
Synonyms: methyl3-[1-(furan-2-yl)-2-nitroethyl]-2-oxo-4-phenylpyrrolidine-3-carboxylate
Smiles: COC(=O)C1(C(=O)NCC1c1ccccc1)C(c1ccco1)C[N+](=O)[O-]

STK838571
Synonyms: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Smiles: O=C(N1CCc2c(C1)cccc2)Cn1nc(c(c1C)Br)C(F)(F)F

STK838573
Synonyms: 6-(4-bromophenyl)-3,5,5-trimethyldihydro-2H-pyran-2,4(3H)-dione
Smiles: Brc1ccc(cc1)C1OC(=O)C(C(=O)C1(C)C)C

STK838575
Synonyms: 8-bromo-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1cccc(c1)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C

STK838576
Synonyms: 2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
Smiles: N#Cc1c(NC(=O)Cn2nc(c(c2C)Cl)[N+](=O)[O-])sc2c1CCCCC2

STK536615
Synonyms: methylN-[2-(4-propoxyphenyl)quinazolin-4-yl]glycinate
Smiles: CCCOc1ccc(cc1)c1nc(NCC(=O)OC)c2c(n1)cccc2

STK536623
Synonyms: 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
Smiles: Fc1ccc(cc1)N1CCN(CC1)CC(=O)N1CCc2c(C1)c1ccccc1[nH]2

STK838588
Synonyms: 6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)Cl)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1)C

STK536627
Synonyms: 6-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)Br)NC(=C(C1c1ccccc1)C(=O)Nc1ccc(cc1)Cl)C

STK838589
Synonyms: 2-{4-[(4-bromophenyl)amino]quinazolin-2-yl}phenol
Smiles: Brc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccccc1O

STK838593
Synonyms: 3-[(3,3-dimethylpiperidin-1-yl)carbonyl]-7,7-dimethyl-1-phenyl-7,8-dihydroquinoline-2,5(1H,6H)-dione
Smiles: O=C1CC(C)(C)Cc2c1cc(C(=O)N1CCCC(C1)(C)C)c(=O)n2c1ccccc1

STK536634
Synonyms: N-{2-[bis(5-methylfuran-2-yl)methyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccccc1C(c1ccc(o1)C)c1ccc(o1)C

STK536636
Synonyms: ethyl(6aR,6bS,9aR,10S)-7,9-dioxo-8-phenyl-6b,7,8,9,9a,10-hexahydro-6aH-benzo[f]pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Smiles: CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1c1ccc3c(c1C=C2)cccc3)c1ccccc1

STK536637
Synonyms: 2-({(E)-2-cyano-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzamide
Smiles: N#C/C(=C\Nc1ccccc1C(=O)N)/c1scc(n1)c1ccc(cc1C)C

STK838599
Synonyms: 2-benzyl-5-(4-methylphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
Smiles: Cc1ccc(cc1)c1csc2c1c(=O)oc(n2)Cc1ccccc1

STK536638
Synonyms: 2-({[(2-chlorophenyl)sulfonyl]carbamoyl}amino)-N,N-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
Smiles: O=C(NS(=O)(=O)c1ccccc1Cl)Nc1cc(ccc1S(=O)(=O)N(C)C)N1CCCC1=O

STK838601
Synonyms: 5,7-dimethyl-N'-[(1E)-1-phenylethylidene][1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)N/N=C(/c1ccccc1)\C

STK838605
Synonyms: N-(4-methoxyphenyl)-4-methylquinolin-2-amine
Smiles: COc1ccc(cc1)Nc1cc(C)c2c(n1)cccc2

STK536652
Synonyms: 5-cyano-6-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2C)C)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1OC)C

STK536653
Synonyms: 2-(2,6-dimethoxyphenoxy)-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)COc2c(OC)cccc2OC)ccc1OC

STK838608
Synonyms: butyl{[3-cyano-4-(2,4-dichlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: CCCCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1Cl)Cl

STK838610
Synonyms: N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide
Smiles: CCCCNC(=O)Cn1nc(c(c1C)[N+](=O)[O-])[N+](=O)[O-]

STK536663
Synonyms: 2-(diethylamino)-6-phenylpyrimidine-4-carbonitrile
Smiles: CCN(c1nc(C#N)cc(n1)c1ccccc1)CC

STK536665
Synonyms: 3-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one
Smiles: O=c1c(nsnc1Cl)Nc1ccccc1

STK536668
Synonyms: (Z)-2-(1-benzyl-1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethenyl4-methylbenzoate
Smiles: Cc1ccc(cc1)/C(=C/c1nc2c(n1Cc1ccccc1)cccc2)/OC(=O)c1ccc(cc1)C

STK536669
Synonyms: 5-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylicacid
Smiles: Clc1ccc(cc1)c1cc(C)n2c(n1)cc(n2)C(=O)O

STK536670
Synonyms: 2-{[(4-tert-butylphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylicacid
Smiles: O=C(c1ccc(cc1)C(C)(C)C)Nc1sc2c(c1C(=O)O)CCCC2

STK838615
Synonyms: ethyl[1,2-bis(2-methylphenyl)hydrazinyl](oxo)acetate
Smiles: CCOC(=O)C(=O)N(c1ccccc1C)Nc1ccccc1C

STK838616
Synonyms: methyl{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(c(c1)OC)O

STK536671
Synonyms: 4-bromo-2-{(E)-[(6-ethoxy-1,3-benzothiazol-2-yl)imino]methyl}-6-nitrophenol
Smiles: CCOc1ccc2c(c1)sc(n2)/N=C/c1cc(Br)cc(c1O)[N+](=O)[O-]

STK536675
Synonyms: 3-tert-butyl-5-[2-ethoxy-5-(morpholin-4-ylsulfonyl)phenyl]-1-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Smiles: CCOc1ccc(cc1c1nc2c(c(=O)[nH]1)n(nc2C(C)(C)C)C)S(=O)(=O)N1CCOCC1

STK536681
Synonyms: 4-(4-methylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole
Smiles: CN1CCN(CC1)c1ncnc2c1[nH]c1c2cccc1

STK838624
Synonyms: 3-bromo-N-[3-(1H-imidazol-1-yl)propyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: O=C(c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccccc1)NCCCn1cncc1

STK536700
Synonyms: 3,4,5-trihydroxy-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}benzohydrazide
Smiles: O=C(c1cc(O)c(c(c1)O)O)N/N=C/c1ccccc1C(F)(F)F

STK536703
Synonyms: [5-hydroxy-2-methyl-1-(2-methylphenyl)-1H-indol-3-yl](phenyl)methanone
Smiles: Oc1ccc2c(c1)c(C(=O)c1ccccc1)c(n2c1ccccc1C)C

STK838634
Synonyms: (2E)-2-(acetylamino)-3-(4-ethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Smiles: CCOc1ccc(cc1)/C=C(\C(=O)NCCc1c[nH]c2c1cccc2)/NC(=O)C

STK536711
Synonyms: 4-methyl-N'-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]benzenesulfonohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)NN/C=C/1\Sc2c(C1=O)cccc2

STK536716
Synonyms: 5-cyano-6-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)OC)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1)C

STK838637
Synonyms: ethyl(2Z)-2-cyano-3-[5-(2-methoxyphenyl)furan-2-yl]prop-2-enoate
Smiles: CCOC(=O)/C(=C\c1ccc(o1)c1ccccc1OC)/C#N

STK838638
Synonyms: 1-[4-(4-oxo-6,7-dihydro-4H,5H-cyclopenta[4,5]thieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione
Smiles: O=C1CCC(=O)N1c1ccc(cc1)c1oc(=O)c2c(n1)sc1c2CCC1

STK536722
Synonyms: 1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one
Smiles: COc1ccc2c(c1)c(C(=O)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)C)c(n2C)C

STK536723
Synonyms: (1E)-N-hydroxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-imine
Smiles: O/N=C/1\CC2C1Cc1c2cccc1

STK536724
Synonyms: N'~1~,N'~4~-bis[(2Z)-2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoyl]benzene-1,4-dicarbohydrazide
Smiles: COc1ccc(cc1)C(=O)/C=C(/C(=O)NNC(=O)c1ccc(cc1)C(=O)NNC(=O)/C(=C/C(=O)c1ccc(cc1)OC)/O)\O

STK536725
Synonyms: ethyl2-[(chloroacetyl)amino]-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1sc(c(c1C#N)CC)C)NC(=O)CCl

STK536727
Synonyms: N-(4-chlorophenyl)-5-cyano-6-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2C)C)NC(=C(C1c1ccco1)C(=O)Nc1ccc(cc1)Cl)C

STK838644
Synonyms: ethyl5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
Smiles: CCOC(=O)c1c(C)nn2c1NC(CC2C(F)(F)F)c1ccc(cc1)Cl

STK838645
Synonyms: 4,5,6-trimethyl-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}pyridine-3-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2cccs2)nc(c(c1C)C)C

STK536731
Synonyms: 2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-1-(1H-indol-3-yl)propan-1-one
Smiles: CC(C(=O)c1c[nH]c2c1cccc2)N1CCC2(CC1)OCCO2

STK536735
Synonyms: 2-hydroxyethyl2-amino-3-cyano-6-methylpyridine-4-carboxylate
Smiles: OCCOC(=O)c1cc(C)nc(c1C#N)N

STK536739
Synonyms: 2-(3,4-dihydroxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Smiles: CN1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(c(c1)O)O

STK838651
Synonyms: 3-amino-2-[(3,4-dichlorophenyl)carbonyl]-4-methylthieno[2,3-b]pyridin-6(7H)-one
Smiles: O=C(c1sc2c(c1N)c(C)cc(=O)[nH]2)c1ccc(c(c1)Cl)Cl

STK536742
Synonyms: N'-cyclohexyl-2-hydroxy-2,2-diphenylacetohydrazide
Smiles: O=C(C(c1ccccc1)(c1ccccc1)O)NNC1CCCCC1

STK838654
Synonyms: diethyl[5-(morpholin-4-yl)-2-phenyl-1,3-oxazol-4-yl]phosphonate
Smiles: CCOP(=O)(c1nc(oc1N1CCOCC1)c1ccccc1)OCC

STK536745
Synonyms: 2-(4-chlorophenyl)-3-[4-(2,6-dichlorophenoxy)butyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1c(Cl)cccc1Cl

STK536746
Synonyms: 5-cyano-4-(2-ethoxyphenyl)-2-methyl-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-N-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: CCOc1ccccc1C1C(=C(SCC(=O)Nc2nccs2)NC(=C1C(=O)Nc1ccccc1)C)C#N

STK536748
Synonyms: N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-1H-pyrazole-5-carbohydrazide
Smiles: Cc1nn(c(c1/C=N/NC(=O)c1ccn[nH]1)Cl)c1ccccc1

STK838657
Synonyms: (4Z)-2-(4-bromophenyl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4H)-one
Smiles: Brc1ccc(cc1)C1=N/C(=C\c2cccs2)/C(=O)O1

STK536756
Synonyms: 2-{[(3-chlorophenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylicacid
Smiles: Clc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)O)CCC2

STK838662
Synonyms: methyl2-({[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COc1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2

STK838667
Synonyms: (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5(4H)-one
Smiles: O=C1OC(=N/C/1=C\c1cc2OCOc2cc1Br)c1ccccc1F

STK838668
Synonyms: 7-benzyl-8-[bis(2-hydroxyethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCN(c1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C)CCO

STK536762
Synonyms: N'-[(E)-(2,4-dimethoxyphenyl)methylidene]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
Smiles: COc1cc(OC)ccc1/C=N/NC(=O)c1nn2c(n1)nc(cc2C)C

STK838669
Synonyms: 3-amino-N-(4-chlorophenyl)-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccc(o1)C)c1c(n2)CCCC1

STK838670
Synonyms: (2E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)OCO2)/c1scc(n1)c1ccc(c(c1)Cl)Cl

STK536766
Synonyms: 2-[4-(azepan-1-yl)-6-methylpyrimidin-2-yl]phenol
Smiles: Cc1cc(nc(n1)c1ccccc1O)N1CCCCCC1

STK536768
Synonyms: methyl2-({2-[(chloroacetyl)amino]-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl}amino)-4-ethyl-5-methylthiophene-3-carboxylate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1sc(c(c1C(=O)OC)CC)C)NC(=O)CCl

STK838676
Synonyms: 5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: Brc1ccc(cc1)c1cc(n2c(n1)c(Cl)c(n2)C(=O)N)C(F)(F)F

STK838678
Synonyms: (4Z)-4-[(1-acetyl-3-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5(4H)-one
Smiles: Fc1ccc(cc1)C1=N/C(=C\c2cn(nc2c2ccccc2)C(=O)C)/C(=O)O1

STK536773
Synonyms: (4-methoxyphenyl)(2-thioxo[1,2,4]triazolo[1,5-a]pyridin-3(2H)-yl)methanone
Smiles: COc1ccc(cc1)C(=O)n1c(=S)nc2n1cccc2

STK536774
Synonyms: N'-[(1E)-butylidene]-2-hydroxy-2,2-diphenylacetohydrazide
Smiles: CCC/C=N/NC(=O)C(c1ccccc1)(c1ccccc1)O

STK536776
Synonyms: 6-({2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(OC)c(cc2OC)Cl)NC(=C(C1c1ccccc1)C(=O)Nc1ccc(cc1)Cl)C

STK838683
Synonyms: [3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](piperidin-1-yl)methanone
Smiles: COc1ccc(cc1)c1cc(n2c(n1)c(Br)c(n2)C(=O)N1CCCCC1)C(F)(F)F

STK838685
Synonyms: 3-methyl-7-pentyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCC1

STK536787
Synonyms: 1-(anthracen-9-yl)butane-1,3-dione
Smiles: CC(=O)CC(=O)c1c2ccccc2cc2c1cccc2

STK838686
Synonyms: N,N-diethyl-2-(pyridin-3-yl)quinazolin-4-amine
Smiles: CCN(c1nc(nc2c1cccc2)c1cccnc1)CC

STK838688
Synonyms: N-(1H-benzotriazol-1-ylmethyl)-4-methyl-1,2,5-oxadiazol-3-amine
Smiles: Cc1nonc1NCn1nnc2c1cccc2

STK536793
Synonyms: 2-hydroxy-2-methyl-N',N'-diphenylpropanehydrazide
Smiles: O=C(C(O)(C)C)NN(c1ccccc1)c1ccccc1

STK536806
Synonyms: 4-[tert-butyl(2-hydroxyethyl)amino]-1,1-diphenylbut-2-yn-1-ol
Smiles: OCCN(C(C)(C)C)CC#CC(c1ccccc1)(c1ccccc1)O

STK536808
Synonyms: 6-(4-methoxyphenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-amine
Smiles: COc1ccc(cc1)C1=NC(N=C(O1)N(C)C)(C(F)(F)F)C(F)(F)F

STK536813
Synonyms: 4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc2c(c1/C=N/c1c(=O)n(n(c1C)C)c1ccccc1)cccc2

STK838696
Synonyms: 4-hydroxy-2-oxo-N-(4-propoxyphenyl)-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCOc1ccc(cc1)NC(=O)c1c(=O)[nH]c2c(c1O)cccc2

STK536817
Synonyms: 2-(2,6-dimethoxyphenoxy)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide
Smiles: COc1cccc(c1OCC(=O)N/N=C/c1ccc(cc1)N(C)C)OC

STK536819
Synonyms: 5-cyano-6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(C)ccc2C)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

STK536820
Synonyms: (2Z)-2-[(15E)-15-(2-carbamoylhydrazinylidene)icosan-6-ylidene]hydrazinecarboxamide
Smiles: CCCCC/C(=N/NC(=O)N)/CCCCCCCC/C(=N/NC(=O)N)/CCCCC

STK536824
Synonyms: 8-(butan-2-ylidene)-2-(2,4-dichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: CC/C(=C/1\C2C=CC1C1C2C(=O)N(C1=O)c1ccc(cc1Cl)Cl)/C

STK536826
Synonyms: 5-cyano-6-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)C)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK838703
Synonyms: N-(4-bromophenyl)-2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)NC(=O)CC1c1ccc(c(c1)OC)OC

STK536827
Synonyms: 2-(4-chlorophenoxy)-6-phenylpyrimidine-4-carbonitrile
Smiles: N#Cc1nc(Oc2ccc(cc2)Cl)nc(c1)c1ccccc1

STK536828
Synonyms: N'~3~,N'~4~-dihydroxy-1,2,5-oxadiazole-3,4-dicarboximidamide
Smiles: O/N=C(\c1nonc1/C(=N/O)/N)/N

STK536829
Synonyms: 2-imino-10-[(2E)-pent-2-en-2-yl]tetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile
Smiles: CC/C=C(/C1OC23CCCCC3C(C1(C#N)C(=N)O2)(C#N)C#N)\C

STK536834
Synonyms: 4-(4-methoxyphenoxy)-2-(pyridin-4-yl)quinazoline
Smiles: COc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccncc1

STK838705
Synonyms: propan-2-yl2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CC(OC(=O)c1c(NC(=O)Cn2nc(c(c2C)[N+](=O)[O-])C)sc2c1CCCC2)C

STK536839
Synonyms: 5-[(4-ethoxyphenyl)amino]-5-oxopentane-1,2,3,4-tetrayltetraacetate(non-preferredname)
Smiles: CCOc1ccc(cc1)NC(=O)C(C(C(OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C

STK536845
Synonyms: 4-(biphenyl-4-yloxy)-2-(pyridin-4-yl)quinazoline
Smiles: c1ccc(cc1)c1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccncc1

STK838708
Synonyms: 4-(morpholin-4-yl)-2-(pyridin-4-yl)quinazoline
Smiles: O1CCN(CC1)c1nc(nc2c1cccc2)c1ccncc1

STK536848
Synonyms: (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(2-oxo-2H-chromen-6-yl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)ccc(=O)o2)/c1scc(n1)c1ccc(cc1)Cl

STK838709
Synonyms: (2Z)-2-(5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide
Smiles: Cc1cc2/C(=N/NC(=S)N)/C(=O)Nc2cc1

STK536853
Synonyms: ethyl[1,1,1,3,3,3-hexafluoro-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propan-2-yl]carbamate
Smiles: CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1nc2c(s1)CCCC2

STK838710
Synonyms: 4-methyl-2-[4-(3-methylphenyl)-3H-1,5-benzodiazepin-2-yl]phenol
Smiles: Cc1cccc(c1)C1=Nc2ccccc2N=C(C1)c1cc(C)ccc1O

STK838712
Synonyms: N,N-dibenzyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: O=C(c1cc2n(n1)C(CC(N2)c1ccccc1)C(F)(F)F)N(Cc1ccccc1)Cc1ccccc1

STK838713
Synonyms: 2-[4-(furan-2-yl)-3H-1,5-benzodiazepin-2-yl]phenol
Smiles: Oc1ccccc1C1=Nc2ccccc2N=C(C1)c1ccco1

STK838714
Synonyms: ethyl6-methyl-2-{[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Cn2cnc(n2)[N+](=O)[O-])sc2c1CCC(C2)C

STK536861
Synonyms: methyl2-[2-hydroxy-3-methyl-2-(propan-2-yl)butanoyl]-1-phenylhydrazinecarboxylate
Smiles: COC(=O)N(c1ccccc1)NC(=O)C(C(C)C)(C(C)C)O

STK536866
Synonyms: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-8-fluoro-5H-pyrimido[5,4-b]indole
Smiles: Fc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1cccc(c1C)C

STK536871
Synonyms: 3-bromo-N-[2-(4-fluorophenyl)ethyl]-2-oxo-2H-pyran-5-carboxamide
Smiles: Fc1ccc(cc1)CCNC(=O)c1coc(=O)c(c1)Br

STK838719
Synonyms: ethyl(2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate
Smiles: CCOC(=O)/C(=c\1/ccc(n[nH]1)Cl)/C#N

STK838720
Synonyms: 2-[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]phenol
Smiles: Oc1ccccc1C1=Nc2ccccc2N=C(C1)c1cccs1

STK536879
Synonyms: ethyl(8S,8aR,11aS,11bS)-10-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxylate
Smiles: CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1ccc(cc1)OC

STK536881
Synonyms: (2E)-2-[2-(4-chlorophenyl)hydrazinylidene]-3-imino-3-(piperidin-1-yl)propanenitrile
Smiles: N#C/C(=N\Nc1ccc(cc1)Cl)/C(=N)N1CCCCC1

STK536883
Synonyms: 5,7-dimethyl-N'-[(E)-(5-nitrothiophen-2-yl)methylidene][1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)N/N=C/c1ccc(s1)[N+](=O)[O-]

STK838723
Synonyms: N'-[(E)-(4-ethoxyphenyl)methylidene]-2-hydroxy-2-propylpentanehydrazide
Smiles: CCCC(C(=O)N/N=C/c1ccc(cc1)OCC)(CCC)O

STK536884
Synonyms: 3-chloro-9-ethenyl-6-iodo-9H-carbazole
Smiles: C=Cn1c2ccc(cc2c2c1ccc(c2)Cl)I

STK838724
Synonyms: N-(3-acetylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Smiles: O=C(c1cnn2c1nc(cc2C(F)(F)F)c1ccccc1)Nc1cccc(c1)C(=O)C

STK838725
Synonyms: methyl3,3,3-trifluoro-2-hydroxy-2-{4-[methyl(thiophen-2-ylcarbonyl)amino]phenyl}propanoate
Smiles: COC(=O)C(C(F)(F)F)(c1ccc(cc1)N(C(=O)c1cccs1)C)O

STK838726
Synonyms: 5-(4-bromophenyl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: COc1cc(NC(=O)c2cc3n(n2)C(CC(N3)c2ccc(cc2)Br)C(F)(F)F)cc(c1)[N+](=O)[O-]

STK838729
Synonyms: 2-[4-methyl-6-(prop-2-en-1-yloxy)pyrimidin-2-yl]phenol
Smiles: C=CCOc1cc(C)nc(n1)c1ccccc1O

STK838732
Synonyms: 4-[4-(biphenyl-4-yloxy)-6-methylpyrimidin-2-yl]morpholine
Smiles: Cc1cc(Oc2ccc(cc2)c2ccccc2)nc(n1)N1CCOCC1

STK536894
Synonyms: 2,2'-[(1,6-dioxohexane-1,6-diyl)diimino]bis(5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylicacid)
Smiles: O=C(Nc1sc2c(c1C(=O)O)CCC2)CCCCC(=O)Nc1sc2c(c1C(=O)O)CCC2

STK536895
Synonyms: (2E)-1-(2,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]-2-(1H-imidazol-1-yl)prop-2-en-1-one
Smiles: Clc1ccc(c(c1)Cl)C(=O)/C(=C\c1ccc(cc1)N(C)C)/n1cncc1

STK838737
Synonyms: ethyl5-(4-chlorophenyl)-6a-(4-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: CCOC(=O)C1=NNC2(C1C(=O)N(C2=O)c1ccc(cc1)Cl)c1ccc(cc1)C

STK536903
Synonyms: (2E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-methylquinolin-8-yl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc2c1nc(C)cc2)/c1scc(n1)c1ccc(cc1)OC

STK536905
Synonyms: ethyl2-{[(E)-(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Smiles: CCOC(=O)c1c(/N=C/c2cc(Br)cc(c2O)Cl)sc2c1CCN(C2)C

STK838741
Synonyms: 2-(2-fluorophenyl)-5-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
Smiles: COc1ccc(cc1)c1csc2c1c(=O)oc(n2)c1ccccc1F

STK838744
Synonyms: methyl2-{[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)Cn2nc(c(c2C)Cl)[N+](=O)[O-])sc2c1CCC(C2)C

STK838748
Synonyms: 4-hydroxy-2-oxo-N-(pyridin-3-yl)-1,2-dihydroquinoline-3-carboxamide
Smiles: O=C(c1c(=O)[nH]c2c(c1O)cccc2)Nc1cccnc1

STK838750
Synonyms: 4-(furan-2-yl)-2-(methylsulfanyl)-6-phenylpyridine-3-carbonitrile
Smiles: CSc1nc(cc(c1C#N)c1ccco1)c1ccccc1

STK838751
Synonyms: 4-(morpholin-4-yl)-2-(pyridin-3-yl)quinazoline
Smiles: O1CCN(CC1)c1nc(nc2c1cccc2)c1cccnc1

STK536917
Synonyms: 1-dodecyl-3,3-bis(4-hydroxyphenyl)-1,3-dihydro-2H-indol-2-one
Smiles: CCCCCCCCCCCCN1c2ccccc2C(C1=O)(c1ccc(cc1)O)c1ccc(cc1)O

STK536918
Synonyms: 2-(3-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylicacid
Smiles: Oc1cccc(c1)n1c(=O)c2cccc3c2c(c1=O)ccc3C(=O)O

STK536919
Synonyms: methyl2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate
Smiles: CCOC(=O)NC(C(F)(F)F)(C(=O)OC)Nc1ccc(cc1)Cl

STK536920
Synonyms: (3-amino-6-hydroxy-4-methylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone
Smiles: Oc1cc(C)c2c(n1)sc(c2N)C(=O)c1ccccc1

STK838755
Synonyms: 2-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}phenol
Smiles: COc1ccc(cc1)Nc1cc(C)nc(n1)c1ccccc1O

STK536926
Synonyms: 6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)Cl)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

STK838756
Synonyms: N-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: COc1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)Nc1ccc(cc1OC)OC

STK838759
Synonyms: 2-(3-nitro-1H-1,2,4-triazol-1-yl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}acetamide
Smiles: O=C(Cn1cnc(n1)[N+](=O)[O-])Nc1cc(Oc2cccc(c2)C(F)(F)F)cc(c1)[N+](=O)[O-]

STK838760
Synonyms: 2-[(cyanomethyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(propan-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CCSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)C(C)C

STK536938
Synonyms: 1,3,7-trimethyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCNCC1

STK536942
Synonyms: 4-{1,1,1,3,3,3-hexafluoro-2-[(pyridin-2-ylmethyl)amino]propan-2-yl}-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: Cc1[nH]n(c(=O)c1C(C(F)(F)F)(C(F)(F)F)NCc1ccccn1)c1ccccc1

STK838761
Synonyms: 8-[(E)-(hydroxyimino)(phenyl)methyl]-4-methyl-9-phenyl-2H-furo[2,3-h]chromen-2-one
Smiles: O/N=C(/c1oc2c(c1c1ccccc1)c1oc(=O)cc(c1cc2)C)\c1ccccc1

STK838763
Synonyms: 2-amino-4-(2-chlorophenyl)-6-(methylsulfanyl)pyridine-3,5-dicarbonitrile
Smiles: CSc1nc(N)c(c(c1C#N)c1ccccc1Cl)C#N

STK536947
Synonyms: 4-[(1H-benzotriazol-1-ylmethyl)amino]-1,2,5-oxadiazole-3-carbonitrile
Smiles: N#Cc1nonc1NCn1nnc2c1cccc2

STK838765
Synonyms: 1-(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)piperidine
Smiles: [O-][N+](=O)c1nc(n(c1N1CCCCC1)Cc1ccccc1)C

STK536949
Synonyms: 2-(4-methoxyphenyl)-1-[3-(piperidin-1-yl)propyl]-1H-imidazo[1,2-a]benzimidazole
Smiles: COc1ccc(cc1)c1cn2c(n1CCCN1CCCCC1)nc1c2cccc1

STK536950
Synonyms: 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
Smiles: O=C(N1CCc2c(C1)c1ccccc1[nH]2)CN1CCN(CC1)C(=O)c1ccco1

STK536952
Synonyms: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
Smiles: Clc1ccc(c(c1)N1CCN(CC1)CC(=O)N1CCc2c(C1)c1ccccc1[nH]2)C

STK536954
Synonyms: 5-{[4-(dimethylamino)phenyl]amino}-5-oxopentane-1,2,3,4-tetrayltetraacetate(non-preferredname)
Smiles: CC(=O)OC(C(C(OC(=O)C)COC(=O)C)OC(=O)C)C(=O)Nc1ccc(cc1)N(C)C

STK838766
Synonyms: ethyl3,6-diamino-5-cyano-4-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c(c1ccc(c(c1)OC)OC)c(c(n2)N)C#N

STK536957
Synonyms: 8-methyl-3-({(E)-[(1R)-2,4,6-trimethylcyclohex-3-en-1-yl]methylidene}amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: CC1=CC([C@@H](C(C1)C)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)C)C

STK838769
Synonyms: (2Z)-1-(4-bromophenyl)-4,4,4-trifluoro-3-[(4-methylphenyl)amino]but-2-en-1-one
Smiles: Cc1ccc(cc1)N/C(=C\C(=O)c1ccc(cc1)Br)/C(F)(F)F

STK838771
Synonyms: 2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-1-[(2-hydroxyethyl)amino]anthracene-9,10-dione
Smiles: OCCNc1c(ccc2c1C(=O)c1ccccc1C2=O)C(=O)N1CCC2(CC1)OCCO2

STK838773
Synonyms: propan-2-yl2-({[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CC(OC(=O)c1c(sc2c1CCCC2)NC(=O)c1cnn2c1nc(cc2C(F)(F)F)c1ccccc1)C

STK838774
Synonyms: ethyl{[(4R)-5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSC1=C(C#N)[C@@H](C(=C(N1)C)C(=O)C)c1ccccc1[N+](=O)[O-]

STK536970
Synonyms: 1-chloro-4-{[(Z)-2-nitro-1,2-diphenylethenyl]sulfanyl}benzene
Smiles: Clc1ccc(cc1)S/C(=C(/c1ccccc1)\[N+](=O)[O-])/c1ccccc1

STK536974
Synonyms: 5-cyano-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2CC)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

STK838785
Synonyms: 5-(4-bromophenyl)-N-(2,4-difluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: Brc1ccc(cc1)C1Nc2cc(nn2C(C1)C(F)(F)F)C(=O)Nc1ccc(cc1F)F

STK536980
Synonyms: ethyl5-fluoro-3-({2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]propanoyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)C(=O)c1ccco1)C)cc(cc2)F

STK536982
Synonyms: 5-cyano-6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(C)ccc2C)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1C)C

STK536983
Synonyms: N'-(chloroacetyl)-2-hydroxy-N'-(4-methylphenyl)-2,2-diphenylacetohydrazide
Smiles: ClCC(=O)N(c1ccc(cc1)C)NC(=O)C(c1ccccc1)(c1ccccc1)O

STK536993
Synonyms: 8-bromo-4-(thiomorpholin-4-yl)-5H-pyrimido[5,4-b]indole
Smiles: Brc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCSCC1

STK838796
Synonyms: methyl2-({(E)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Smiles: N#C/C(=C\Nc1ccccc1C(=O)OC)/c1scc(n1)c1ccc(c(c1)OC)OC

STK838797
Synonyms: 5-(acetylamino)-2,1,3-benzoxadiazole-4,7-diyldiacetate
Smiles: CC(=O)Nc1cc(OC(=O)C)c2c(c1OC(=O)C)non2

STK838799
Synonyms: 5-bromo-N-[3-(butanoylamino)phenyl]naphthalene-1-carboxamide
Smiles: CCCC(=O)Nc1cccc(c1)NC(=O)c1cccc2c1cccc2Br

STK838800
Synonyms: 2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[4-chloro-2-(phenylcarbonyl)phenyl]acetamide
Smiles: O=C(Cn1nc(c(c1C)Cl)[N+](=O)[O-])Nc1ccc(cc1C(=O)c1ccccc1)Cl

STK537003
Synonyms: 2-[4-bromo-5-methyl-2-(propan-2-yl)phenoxy]-N'-[(1E)-2-(thiophen-2-yl)prop-1-en-1-yl]acetohydrazide
Smiles: O=C(COc1cc(C)c(cc1C(C)C)Br)NN/C=C(/c1cccs1)\C

STK838810
Synonyms: (4Z)-2-(2-chloro-4-nitrophenyl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4H)-one
Smiles: O=C1OC(=N/C/1=C\c1cccs1)c1ccc(cc1Cl)[N+](=O)[O-]

STK537016
Synonyms: ethyl2-{[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Smiles: CCOC(=O)c1c(/N=C/c2cc(cc(c2O)OC)[N+](=O)[O-])sc2c1CCN(C2)C

STK537018
Synonyms: 2-amino-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)Cl)nc(c(c1c1cc(OC)c(c(c1)OC)OC)C#N)N

STK537019
Synonyms: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
Smiles: CC(C(=O)c1c[nH]c2c1cccc2)N1CCN(CC1)c1cccc(c1C)C

STK838817
Synonyms: benzyl{[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetate
Smiles: N#Cc1c(SCC(=O)OCc2ccccc2)nc(c(c1c1ccc(cc1)OC)C#N)N

STK537034
Synonyms: methyl(2Z)-5-(dibenzylamino)-3-[(4-methylphenyl)carbonyl]-4,5-dioxo-2-(phenylamino)pent-2-enoate
Smiles: COC(=O)/C(=C(\C(=O)c1ccc(cc1)C)/C(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1)/Nc1ccccc1

STK537038
Synonyms: 4-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine
Smiles: CCN1CCN(CC1)c1nc(cc(n1)c1ccc(cc1)Cl)C(F)(F)F

STK537040
Synonyms: 4-(3-iodophenyl)-2-(thiophen-2-yl)-6H-1,3-oxazin-6-one
Smiles: Ic1cccc(c1)c1cc(=O)oc(n1)c1cccs1

STK537042
Synonyms: N-(4-chlorophenyl)-5-cyano-6-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)C)NC(=C(C1c1ccccc1)C(=O)Nc1ccc(cc1)Cl)C

STK838823
Synonyms: 5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: COc1cc(ccc1OC)C1Nc2cc(nn2C(C1)C(F)(F)F)C(=O)NCc1cccs1

STK537051
Synonyms: {[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile
Smiles: N#CC(=Cc1cccn1c1ccc(cc1)[N+](=O)[O-])C#N

STK838827
Synonyms: 8-(ethylamino)-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCNc1nc2c(n1CC(=C)C)c(=O)n(c(=O)n2C)C

STK838829
Synonyms: 1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCN1CCOCC1)cn2

STK537060
Synonyms: tert-butyl4-(4-chlorophenyl)-6-({2-[(4-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Cl)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)(C)C)C

STK537061
Synonyms: N'~2~,N'~6~-bis[(E)-(3,4-dimethoxyphenyl)methylidene]pyridine-2,6-dicarbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2cccc(n2)C(=O)N/N=C/c2ccc(c(c2)OC)OC)ccc1OC

STK537072
Synonyms: 4-[4-methyl-5-nitro-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine
Smiles: [O-][N+](=O)c1c(Oc2ccc(cc2)[N+](=O)[O-])nc(nc1C)N1CCOCC1

STK838839
Synonyms: 5-cyano-2-methyl-N-(2-methylphenyl)-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2nccs2)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

STK838840
Synonyms: 6-[(4-chlorobenzyl)sulfanyl]-5-cyano-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCc2ccc(cc2)Cl)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1)C

STK537076
Synonyms: (2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-[(9-ethyl-9H-carbazol-3-yl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)c1ccccc1n2CC)/c1scc(n1)c1ccc(cc1C)C

STK537077
Synonyms: 3-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1ccc(cc1C(=O)c1ccccc1)Cl

STK838843
Synonyms: 2-{4-[(4-methoxyphenyl)amino]quinazolin-2-yl}phenol
Smiles: COc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccccc1O

STK838844
Synonyms: (4-benzylpiperazin-1-yl)[3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
Smiles: Cc1ccc(cc1)C1CC(n2c(N1)c(Cl)c(n2)C(=O)N1CCN(CC1)Cc1ccccc1)C(F)(F)F

STK537087
Synonyms: 5-ethyl-3,3-dimethyl-6-phenyldihydro-2H-pyran-2,4(3H)-dione
Smiles: CCC1C(OC(=O)C(C1=O)(C)C)c1ccccc1

STK537090
Synonyms: 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea
Smiles: CNC(=O)N(c1nnc(s1)C(C)(C)C)C

STK537097
Synonyms: 8-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1ccccc1OC

STK838848
Synonyms: N-[(1Z)-1-(3,4-dimethoxyphenyl)-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]furan-2-carboxamide
Smiles: COc1cc(ccc1OC)/C=C(/C(=O)NCCc1c[nH]c2c1cccc2)\NC(=O)c1ccco1

STK537106
Synonyms: (4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
Smiles: N#CC1=C(N)C([C@H](C2C1=CC1CCC2N1C)c1cccs1)(C#N)C#N

STK537112
Synonyms: ethyl(2Z)-2-[2-(2,5-dimethoxy-4-nitrophenyl)hydrazinylidene]-5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoate
Smiles: CCOC(=O)/C(=N\Nc1cc(OC)c(cc1OC)[N+](=O)[O-])/CCCN1C(=O)c2c(C1=O)cccc2

STK537115
Synonyms: methyl2-{[2-(acetylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]amino}-4-ethyl-5-methylthiophene-3-carboxylate
Smiles: COC(=O)c1c(sc(c1CC)C)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C

STK537118
Synonyms: 3-bromo-N-(2-fluorophenyl)-2-oxo-2H-pyran-5-carboxamide
Smiles: O=C(c1coc(=O)c(c1)Br)Nc1ccccc1F

STK838857
Synonyms: ethyl2-methyl-4,5-dioxo-1-phenylprolinate
Smiles: CCOC(=O)C1(C)CC(=O)C(=O)N1c1ccccc1

STK838858
Synonyms: N'-[(E)-(2,4-dichlorophenyl)methylidene]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
Smiles: Clc1ccc(c(c1)Cl)/C=N/NC(=O)c1nn2c(n1)nc(cc2C)C

STK537129
Synonyms: N-[(1Z)-3-(2-chlorophenyl)-2-cyano-1-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-5-oxo-5-phenylpent-1-en-1-yl]benzamide
Smiles: CCc1ccc(cc1)NC(=O)CS/C(=C(/C(c1ccccc1Cl)CC(=O)c1ccccc1)\C#N)/NC(=O)c1ccccc1

STK537130
Synonyms: 6-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)Br)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

STK838863
Synonyms: (2-hydroxy-6-methyl-2,4,6-triphenylcyclohex-3-en-1-yl)(phenyl)methanone
Smiles: O=C(C1C(C)(CC(=CC1(O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1

STK537135
Synonyms: N'-(4-methylphenyl)-2-oxo-2-(piperidin-1-yl)acetohydrazide
Smiles: O=C(C(=O)N1CCCCC1)NNc1ccc(cc1)C

STK838866
Synonyms: N'-[(3Z)-5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-2-hydroxy-2-methylpropanehydrazide
Smiles: O=C(C(O)(C)C)N/N=C/1\C(=O)Nc2c1cc(Br)cc2

STK838867
Synonyms: 6-methyl-2-(morpholin-4-yl)-5-nitro-N-phenylpyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(C)nc(nc1Nc1ccccc1)N1CCOCC1

STK838868
Synonyms: 2-[(2-oxo-2-phenylethyl)sulfanyl]-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1c1cccnc1)CCCC2

STK537139
Synonyms: 2,2-bis(4-chlorophenyl)-2-hydroxy-N',N'-dimethyl-N-phenylacetohydrazide
Smiles: Clc1ccc(cc1)C(C(=O)N(c1ccccc1)N(C)C)(c1ccc(cc1)Cl)O

STK537141
Synonyms: 4-[(E)-{[4-(dimethylamino)phenyl]imino}methyl]-2-phenyl-1,3-oxazol-5-yl3-bromobenzoate
Smiles: Brc1cccc(c1)C(=O)Oc1oc(nc1/C=N/c1ccc(cc1)N(C)C)c1ccccc1

STK537142
Synonyms: 1-methyl-N'-[(E)-pyridin-3-ylmethylidene]-1H-pyrazole-5-carbohydrazide
Smiles: O=C(c1ccnn1C)N/N=C/c1cccnc1

STK838870
Synonyms: 2-(benzylsulfanyl)-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCOc1ccc(cc1OC)C1CC(=O)NC(=C1C#N)SCc1ccccc1

STK537146
Synonyms: 3-hydroxy-5-sulfamoylnaphthalene-2-carboxylicacid
Smiles: OC(=O)c1cc2cccc(c2cc1O)S(=O)(=O)N

STK537148
Synonyms: 2-(biphenyl-4-yl)-4-(4-ethoxyphenyl)-6H-1,3-oxazin-6-one
Smiles: CCOc1ccc(cc1)c1cc(=O)oc(n1)c1ccc(cc1)c1ccccc1

STK537149
Synonyms: 6-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1OC)C

STK537150
Synonyms: 2-(acryloylamino)-2-phenylethanesulfonicacid
Smiles: C=CC(=O)NC(c1ccccc1)CS(=O)(=O)O

STK537151
Synonyms: N-[2-(1-hydroxyethyl)-4,5-dimethoxyphenyl]-4-methylbenzenesulfonamide
Smiles: COc1cc(NS(=O)(=O)c2ccc(cc2)C)c(cc1OC)C(O)C

STK537154
Synonyms: ethyl3,3,3-trifluoro-N-[(4-methoxyphenyl)carbamoyl]-2-phenoxyalaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Oc1ccccc1)NC(=O)Nc1ccc(cc1)OC

STK537158
Synonyms: ethyl(1,1,1,3,3,3-hexafluoro-2-{[2-(3H-indol-3-yl)ethyl]amino}propan-2-yl)carbamate
Smiles: CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NCCC1C=Nc2c1cccc2

STK537159
Synonyms: methyl2-({2-[(chloroacetyl)amino]-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C(=O)OC)CCCC2)NC(=O)CCl

STK838873
Synonyms: 6-methyl-5-nitro-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: [O-][N+](=O)c1c(C)ccc2c1c(=O)cc(o2)C(F)(F)F

STK838875
Synonyms: 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
Smiles: O=C(Nc1nnc(s1)C)CCN1C(=O)c2c(C1=O)cccc2

STK537162
Synonyms: 3'-[3-(trifluoromethyl)phenyl]-2'H-spiro[indole-3,4'-[1,3]thiazolidine]-2,2'(1H)-dione
Smiles: O=C1SCC2(N1c1cccc(c1)C(F)(F)F)C(=O)Nc1c2cccc1

STK838876
Synonyms: 2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
Smiles: O=C(Cn1nc(c(c1C)Cl)C(F)(F)F)NCc1cccs1

STK537165
Synonyms: methyl3-{[2-(3,3-dimethylpiperidin-1-yl)propanoyl]amino}-5-methyl-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCCC(C1)(C)C)C)cc(cc2)C

STK537168
Synonyms: 2,2-bis(4-ethoxyphenyl)-N'-[1-(4-ethoxyphenyl)ethyl]-2-hydroxyacetohydrazide
Smiles: CCOc1ccc(cc1)C(NNC(=O)C(c1ccc(cc1)OCC)(c1ccc(cc1)OCC)O)C

STK838880
Synonyms: 2-{[3-cyano-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: CCOc1ccc(cc1OC)C1CC(=O)NC(=C1C#N)SCC(=O)Nc1nccs1

STK537171
Synonyms: methyl6-methyl-2-({[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)c2nn3c(c2)nc(cc3C(F)(F)F)c2cccs2)sc2c1CCC(C2)C

STK537178
Synonyms: methyl4-{[2-(pyridin-4-yl)quinazolin-4-yl]oxy}benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccncc1

STK537181
Synonyms: 5-[(6-bromo-4-oxo-4H-chromen-3-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)NC(=O)C1=Cc1coc2c(c1=O)cc(cc2)Br

STK537184
Synonyms: 8-methyl-4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole
Smiles: Cc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)C/C=C/c1ccccc1

STK838885
Synonyms: (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5(4H)-one
Smiles: Cc1cccc(c1)C1=N/C(=C\c2cc3OCOc3cc2Br)/C(=O)O1

STK838886
Synonyms: 2-amino-6-(ethylsulfanyl)-4-[4-(propan-2-yl)phenyl]pyridine-3,5-dicarbonitrile
Smiles: CCSc1nc(N)c(c(c1C#N)c1ccc(cc1)C(C)C)C#N

STK838889
Synonyms: 2-(pyridin-3-yl)-4-(pyrrolidin-1-yl)quinazoline
Smiles: c1ccc(cn1)c1nc2ccccc2c(n1)N1CCCC1

STK537198
Synonyms: 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl(1E)-N-(4-methoxyphenyl)-2-oxopropanehydrazonothioate
Smiles: COc1ccc(cc1)N/N=C(\C(=O)C)/Sc1nnc(n1C)c1ccc(cc1)OC

STK537207
Synonyms: 2-(3,4-dimethoxyphenyl)-9-methyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1cc(ccc1OC)c1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C

STK838892
Synonyms: 8-[(2-chlorobenzyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=C)Cn1c(SCc2ccccc2Cl)nc2c1c(=O)n(c(=O)n2C)C

STK537210
Synonyms: 7-chloro-N-(2,5-dichlorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: Clc1ccc(c(c1)Nc1cc(Cl)c2c(c1[N+](=O)[O-])non2)Cl

STK537213
Synonyms: 1,1'-[(Z)-1-(benzylsulfanyl)-2-nitroethene-1,2-diyl]dibenzene
Smiles: [O-][N+](=O)/C(=C(/c1ccccc1)\SCc1ccccc1)/c1ccccc1

STK838894
Synonyms: methyl6-tert-butyl-2-{[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)Cn2cnc(n2)[N+](=O)[O-])sc2c1CCC(C2)C(C)(C)C

STK537218
Synonyms: 4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine
Smiles: CN1CCN(CC1)c1cc(C)nc(n1)N1CCOCC1

STK838899
Synonyms: 4-(4-methylphenoxy)-2-(pyridin-4-yl)quinazoline
Smiles: Cc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccncc1

STK537234
Synonyms: 2-[4-(propan-2-yloxy)quinazolin-2-yl]phenol
Smiles: CC(Oc1nc(nc2c1cccc2)c1ccccc1O)C

STK838903
Synonyms: 2,6-dimethyl-N,N'-diphenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
Smiles: CC1=C(C(=O)Nc2ccccc2)C(C(=C(N1)C)C(=O)Nc1ccccc1)c1cccs1

STK838904
Synonyms: N-(3,4-dimethoxybenzyl)-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: COc1cc(CNC(=O)c2cc3C(=O)CCCc3n(c2=O)c2ccc(cc2)C)ccc1OC

STK537235
Synonyms: 4-(biphenyl-4-yl)-2-[(phenylcarbonyl)amino]thiophene-3-carboxylicacid
Smiles: O=C(c1ccccc1)Nc1scc(c1C(=O)O)c1ccc(cc1)c1ccccc1

STK838906
Synonyms: diethyl3-methyl-5-{[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]amino}thiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2nn3c(c2)nc(cc3C)c2ccccc2)sc(c1C)C(=O)OCC

STK537241
Synonyms: 4-(3-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indole
Smiles: CC1CCCN(C1)c1ncnc2c1[nH]c1c2cccc1

STK838909
Synonyms: (2E)-2-cyano-2-[2-(2-methoxyphenyl)hydrazinylidene]ethanethioamide
Smiles: N#C/C(=N\Nc1ccccc1OC)/C(=S)N

STK537248
Synonyms: methyl4-(3,5-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Smiles: COc1cc(OC)cc(c1)C1NC(=O)NC(=C1C(=O)OC)C

STK838921
Synonyms: 4-(2-methoxyphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-6-phenylpyridine-3-carbonitrile
Smiles: COc1ccccc1c1cc(nc(c1C#N)SCC(=O)c1ccccc1)c1ccccc1

STK838922
Synonyms: 3-(3-tert-butyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide
Smiles: OCCNS(=O)(=O)c1ccc(c(c1)c1nc2c(c(=O)[nH]1)n(nc2C(C)(C)C)C)OCC

STK838924
Synonyms: N-[3-nitro-5-(pyridin-3-yloxy)phenyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Smiles: O=C(Cn1cnc(n1)[N+](=O)[O-])Nc1cc(Oc2cccnc2)cc(c1)[N+](=O)[O-]

STK537261
Synonyms: 2,1,3-benzoxadiazole-5-carboxylicacid3-oxide
Smiles: [O-][n+]1onc2c1cc(cc2)C(=O)O

STL036493
Synonyms: 7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Smiles: [O-][N+](=O)c1c(N)cc(c2c1non2)N

STK537267
Synonyms: ethyl2-{3-[(1E)-2-cyano-3-(morpholin-4-yl)-3-oxoprop-1-en-1-yl]-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(/C(=O)N1CCOCC1)\C#N

STK838929
Synonyms: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
Smiles: O=C(Cn1nc(c(c1C)Br)[N+](=O)[O-])NCc1cccs1

STK838931
Synonyms: [5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl][4-(4-fluorophenyl)piperazin-1-yl]methanone
Smiles: Fc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2n(n1)C(CC(N2)c1ccc(cc1)Cl)C(F)(F)F

STK537269
Synonyms: N'-ethyl-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide
Smiles: CCNNC(=O)C(c1cccc(c1)C)(c1cccc(c1)C)O

STK537289
Synonyms: N'~1~,N'~2~-bis(3-methylphenyl)ethanedihydrazide
Smiles: Cc1cccc(c1)NNC(=O)C(=O)NNc1cccc(c1)C

STK537298
Synonyms: N'-[(3Z)-1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-2-hydroxy-2-methylpropanehydrazide
Smiles: CCN1C(=O)/C(=N\NC(=O)C(O)(C)C)/c2c1cccc2

STK838936
Synonyms: 5-cyano-N-(2-methoxyphenyl)-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)c2ccccc2)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1OC)C

STK537303
Synonyms: methyl2-amino-4-methyl-5-phenylthiophene-3-carboxylate
Smiles: COC(=O)c1c(N)sc(c1C)c1ccccc1

STK537304
Synonyms: 8-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
Smiles: Brc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1ccccc1F

STK537306
Synonyms: ethyl2-(butanoylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1cc(ccc1OC)C(C(F)(F)F)(C(=O)OCC)O)NC(=O)CCC

STK838938
Synonyms: ethyl4,5-dimethyl-2-({[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Cn2nc(cc2C)C(F)(F)F)sc(c1C)C

STK537308
Synonyms: 4-[4-(diphenylmethyl)piperazin-1-yl]-2-(pyridin-4-yl)quinazoline
Smiles: c1ccc(cc1)C(c1ccccc1)N1CCN(CC1)c1nc(nc2c1cccc2)c1ccncc1

STK838940
Synonyms: N'-(2-butyl-2-hydroxyhexanoyl)-2-fluoro-N-phenylbenzohydrazide
Smiles: CCCCC(C(=O)NN(C(=O)c1ccccc1F)c1ccccc1)(CCCC)O

STK537312
Synonyms: 8-oxo-8,9,10,11-tetrahydroazepino[1,2-a]quinoline-7-carbonitrile
Smiles: N#CC1=c2ccc3c(n2CCCC1=O)cccc3

STK537320
Synonyms: 1,2-bis(4-chlorophenyl)ethane-1,2-dione
Smiles: O=C(C(=O)c1ccc(cc1)Cl)c1ccc(cc1)Cl

STK537322
Synonyms: ethyl5'-({(Z)-[2-(furan-2-yl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)-2,3'-bithiophene-4'-carboxylate
Smiles: CCOC(=O)c1c(N/C=C/2\N=C(OC2=O)c2ccco2)scc1c1cccs1

STK537327
Synonyms: 5-cyano-6-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2C)C)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK537328
Synonyms: 4-azido-N-(1H-benzotriazol-1-ylmethyl)-1,2,5-oxadiazol-3-amine
Smiles: [N-]=[N+]=Nc1nonc1NCn1nnc2c1cccc2

STK537329
Synonyms: (2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)cccn2)/c1scc(n1)c1ccc(cc1C)C

STK537332
Synonyms: 5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)C1CC(=O)C(=O)N1c1ccccc1

STK537334
Synonyms: 4-amino-N'-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-1,2,5-oxadiazole-3-carbohydrazonamide
Smiles: O=C(c1nonc1C)N/N=C(\c1nonc1N)/N

STK537335
Synonyms: methyl5-bromo-3-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCc3c(C1)cccc3)C)cc(cc2)Br

STK537337
Synonyms: ethylN-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(NC(=O)Nc1sc2c(c1C(=O)N)CCCC2)OCC(F)(F)F

STK537340
Synonyms: N-[(E)-2-chloro-2-(dimorpholin-4-ylphosphoryl)ethenyl]-N'-[(Z)-2-chloro-2-(dimorpholin-4-ylphosphoryl)ethenyl]ethane-1,2-diamine
Smiles: Cl/C(=C/NCCN/C=C(/P(=O)(N1CCOCC1)N1CCOCC1)\Cl)/P(=O)(N1CCOCC1)N1CCOCC1

STK537341
Synonyms: ethyl(8S,8aR,11aS,11bS)-10-(2,5-dimethoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxylate
Smiles: CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1cc(OC)ccc1OC

STK537342
Synonyms: ethyl3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
Smiles: CCOC(=O)c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccc(o1)Br

STK838947
Synonyms: methyl(4Z)-4-(2-hydroxybenzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Smiles: COCCCN1C(=O)/C(=C\c2ccccc2O)/C(=C1C)C(=O)OC

STK838948
Synonyms: 5-cyano-2-methyl-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)C)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1)C

STK838953
Synonyms: 2-{[3-cyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
Smiles: CCOc1ccccc1C1CC(=O)NC(=C1C#N)SCC(=O)Nc1cccc(c1)F

STK537351
Synonyms: methyl3-amino-5,6-dimethoxy-1H-indole-2-carboxylate
Smiles: COc1cc2[nH]c(c(c2cc1OC)N)C(=O)OC

STK838955
Synonyms: 4,4-dinitro-4,5,6,7-tetrahydro-2,1,3-benzoxadiazole
Smiles: [O-][N+](=O)C1(CCCc2c1non2)[N+](=O)[O-]

STK838956
Synonyms: N'~2~,N'~6~-bis{(E)-[4-(dimethylamino)phenyl]methylidene}pyridine-2,6-dicarbohydrazide
Smiles: CN(c1ccc(cc1)/C=N/NC(=O)c1cccc(n1)C(=O)N/N=C/c1ccc(cc1)N(C)C)C

STK537352
Synonyms: 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
Smiles: Fc1ccc(cc1)N1CCN(CC1)CC(=O)N1CCc2c(C1)c1cc(F)ccc1[nH]2

STK838957
Synonyms: 3-amino-N-(3-chloro-4-methylphenyl)-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: Cc1ccc(o1)c1c2CCCCc2nc2c1c(N)c(s2)C(=O)Nc1ccc(c(c1)Cl)C

STK537354
Synonyms: methyl6a-(4-chlorophenyl)-5-(2,3-dimethylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: COC(=O)C1=NNC2(C1C(=O)N(C2=O)c1cccc(c1C)C)c1ccc(cc1)Cl

STK537355
Synonyms: 5-cyano-2-methyl-N-(2-methylphenyl)-6-{[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl}-4-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc3c(c2)cccc3)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1C)C

STK537356
Synonyms: ethyl5-methoxy-3-[(E)-(3-methylpiperidin-1-yl)diazenyl]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1/N=N/N1CCCC(C1)C)cc(cc2)OC

STK537361
Synonyms: 1-methyl-N-(propan-2-yl)-1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbothioamide
Smiles: CC(NC(=S)N1CCc2c(C1)nnn2C)C

STK838962
Synonyms: 5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: CCOc1ccc(cc1)c1cc(C)n2c(n1)cc(n2)C(=O)N

STK838963
Synonyms: 6-methyl-N-(4-methylphenyl)-2-(morpholin-4-yl)pyrimidin-4-amine
Smiles: Cc1ccc(cc1)Nc1cc(C)nc(n1)N1CCOCC1

STK838965
Synonyms: 5-[bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Smiles: CSC(=C1C(=O)OC(OC1=O)(C)C)SC

STK838967
Synonyms: (5Z)-1-phenyl-5-(1H-pyrrol-2-ylmethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\c1[nH]ccc1)c1ccccc1

STK537369
Synonyms: 2-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}ethanol
Smiles: OCCNc1nc(nc(c1[N+](=O)[O-])C)N1CCOCC1

STK838971
Synonyms: 5-cyano-2-methyl-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2nccs2)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1)C

STK838973
Synonyms: 2-hydroxy-N'-(4-methylphenyl)-2-propylpentanehydrazide
Smiles: CCCC(C(=O)NNc1ccc(cc1)C)(CCC)O

STK537377
Synonyms: 2-chloro-3-[(2-methoxyethyl)amino]naphthalene-1,4-dione
Smiles: COCCNC1=C(Cl)C(=O)c2c(C1=O)cccc2

STK838976
Synonyms: 4-(2-methylpiperidin-1-yl)-2-(pyridin-4-yl)quinazoline
Smiles: CC1CCCCN1c1nc(nc2c1cccc2)c1ccncc1

STK537384
Synonyms: 4-(2-chlorophenyl)-2,6-dimethyl-N,N'-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
Smiles: CC1=C(C(=O)Nc2ccccc2)C(C(=C(N1)C)C(=O)Nc1ccccc1)c1ccccc1Cl

STK537386
Synonyms: 6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Smiles: Cc1cc(n(n1)c1cc(=O)n(c(=O)n1C)C)C

STK838977
Synonyms: (3E)-N-(2,4-dimethoxyphenyl)-3-[2-(pyrazin-2-ylcarbonyl)hydrazinylidene]butanamide
Smiles: COc1cc(OC)ccc1NC(=O)C/C(=N/NC(=O)c1cnccn1)/C

STK838978
Synonyms: (5Z)-1-(4-fluorobenzyl)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Fc1ccc(cc1)CN1C(=O)NC(=O)/C(=C/C=C/c2ccco2)/C1=O

STK537393
Synonyms: 4-(azepan-1-yl)-2-(pyridin-4-yl)quinazoline
Smiles: C1CCCN(CC1)c1nc(nc2c1cccc2)c1ccncc1

STK838979
Synonyms: methyl5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
Smiles: COC(=O)c1nn2c(c1Cl)nc(cc2C(F)(F)F)c1ccc(cc1)Br

STK838980
Synonyms: 2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
Smiles: O=C(Cn1nc(c(c1C)[N+](=O)[O-])[N+](=O)[O-])NCc1cccnc1

STK537396
Synonyms: N-(4-bromophenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: CCOc1ccc(cc1)c1cc(C)n2c(n1)cc(n2)C(=O)Nc1ccc(cc1)Br

STK838981
Synonyms: N-[(4-methylpyridin-2-yl)carbamothioyl]furan-2-carboxamide
Smiles: S=C(NC(=O)c1ccco1)Nc1nccc(c1)C

STK838983
Synonyms: 4,5-diphenyl-1H-pyrrole-2,3-dione
Smiles: O=C1C(=O)NC(=C1c1ccccc1)c1ccccc1

STK838984
Synonyms: 8-[(2E)-2-(4-ethoxybenzylidene)hydrazinyl]-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(N/N=C/c2ccc(cc2)OCC)nc2c1c(=O)n(c(=O)n2C)C

STK537401
Synonyms: 4-chloro-N'-[(1E)-1-(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethylidene]benzohydrazide
Smiles: Clc1ccc(cc1)C(=O)N/N=C(/c1c(O)[nH]c(=O)[nH]c1=O)\C

STK537410
Synonyms: 2-(2-amino-1H-benzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone
Smiles: COc1ccc(cc1)C(=O)Cn1c(N)nc2c1cccc2

STK537411
Synonyms: 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2OC)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

STK537412
Synonyms: 2,1,3-benzoxadiazole-5-carboxamide3-oxide
Smiles: [O-][n+]1onc2c1cc(cc2)C(=O)N

STK537413
Synonyms: (2E)-2-cyano-2-[2-(4-methoxyphenyl)hydrazinylidene]ethanamide
Smiles: COc1ccc(cc1)N/N=C(/C(=O)N)\C#N

STK838989
Synonyms: 2-{4-[(2,5-dimethoxyphenyl)amino]quinazolin-2-yl}phenol
Smiles: COc1ccc(c(c1)Nc1nc(nc2c1cccc2)c1ccccc1O)OC

STK537418
Synonyms: 3-amino-1,1-bis(ethylsulfanyl)-6,7-dimethyl-4-phenyl-4,5-dihydro-1H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile
Smiles: CCSC1(SCC)N=C(C2(C1(C#N)C(=C(C)NC2c1ccccc1)C)C#N)N

STK537425
Synonyms: tert-butyl4-(4-chlorophenyl)-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)Cl)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)(C)C)C

STK537426
Synonyms: methyl(2Z)-2-hydroxy-4-(4-nitrophenyl)-4-oxobut-2-enoate
Smiles: COC(=O)/C(=C/C(=O)c1ccc(cc1)[N+](=O)[O-])/O

STK838992
Synonyms: 4-{4-methyl-6-[2-(morpholin-4-yl)ethoxy]pyrimidin-2-yl}morpholine
Smiles: Cc1cc(OCCN2CCOCC2)nc(n1)N1CCOCC1

STK537429
Synonyms: 2-[4-(furan-2-yl)-3H-1,5-benzodiazepin-2-yl]-5-methylphenol
Smiles: Cc1ccc(c(c1)O)C1=Nc2ccccc2N=C(C1)c1ccco1

STK838995
Synonyms: 8-(ethylsulfanyl)-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCSc1nc2c(n1CC(=C)C)c(=O)n(c(=O)n2C)C

STK838996
Synonyms: 8-bromo-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C

STK537432
Synonyms: 4-{4-[(2E)-2-(2-methoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
Smiles: COc1ccccc1/C=N/Nc1cc(C)nc(n1)N1CCOCC1

STK838999
Synonyms: 5-cyano-6-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-phenyl-1,4-dihydro-4,4'-bipyridine-3-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1)c1ccncc1

STK537438
Synonyms: N-(4-chlorophenyl)-5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)CC)NC(=C(C1c1ccco1)C(=O)Nc1ccc(cc1)Cl)C

STK537453
Synonyms: 4-(4-methylpiperazin-1-yl)-2-(pyridin-3-yl)quinazoline
Smiles: CN1CCN(CC1)c1nc(nc2c1cccc2)c1cccnc1

STK839007
Synonyms: (1Z,2E)-N'~1~,N'~2~-dihydroxy-N~1~,N~2~-diphenylethanediimidamide
Smiles: O/N=C(\C(=N\O)\Nc1ccccc1)/Nc1ccccc1

STK839008
Synonyms: 5-methyl-2-[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]phenol
Smiles: Cc1ccc(cc1)C1=Nc2ccccc2N=C(C1)c1ccc(cc1O)C

STK839009
Synonyms: N-[2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Smiles: O=C(c1cnn2c1NC(CC2C(F)(F)F)c1cccs1)NCCN1CCOCC1

STK537458
Synonyms: ethyl4-{5-[(1E)-2-cyano-3-(diethylamino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(/C(=O)N(CC)CC)\C#N

STK537462
Synonyms: 2-({(E)-2-cyano-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzamide
Smiles: N#C/C(=C\Nc1ccccc1C(=O)N)/c1scc(n1)c1cccc(c1)OC

STK839011
Synonyms: 2-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-4H,5H-cyclopenta[4,5]thieno[2,3-d][1,3]oxazin-4-one
Smiles: O=c1oc(/C=C/c2ccco2)nc2c1c1CCCc1s2

STK839013
Synonyms: ethyl2-{[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)[N+](=O)[O-])sc2c1CCC(C2)C

STK839016
Synonyms: 2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Smiles: N#Cc1c(NC(=O)Cn2nc(c(c2C)Cl)[N+](=O)[O-])sc2c1CCC(C2)C

STK537469
Synonyms: 2-({(E)-2-cyano-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzamide
Smiles: N#C/C(=C\Nc1ccccc1C(=O)N)/c1scc(n1)c1cc2ccccc2oc1=O

STK537470
Synonyms: ethyl6-bromo-1-ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OC)c(c2)Br)CC

STK537471
Synonyms: (4Z)-4-[4-(propan-2-yl)benzylidene]-2-(thiophen-2-yl)-1,3-oxazol-5(4H)-one
Smiles: O=C1OC(=N/C/1=C\c1ccc(cc1)C(C)C)c1cccs1

STK839019
Synonyms: 4-methoxy-2-[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]phenol
Smiles: COc1ccc(c(c1)C1=Nc2ccccc2N=C(C1)c1cccs1)O