FULL DB

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

STK010066
Synonyms: 6-methyl-4-phenyl-2-(piperazin-1-yl)quinazoline
Smiles: Cc1ccc2c(c1)c(nc(n2)N1CCNCC1)c1ccccc1

STK010101
Synonyms: 2-amino-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]acetohydrazide(non-preferredname)
Smiles: NCC(=O)N/N=C/c1c(O)ccc2c1cccc2

STK010102
Synonyms: 4-(5-{(Z)-[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzenesulfonamide
Smiles: OCCN1C(=O)/C(=C\c2ccc(o2)c2ccc(cc2)S(=O)(=O)N)/C(=C(C1=O)C#N)C

STK010117
Synonyms: 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-(propan-2-yl)dihydrofuran-2(3H)-one
Smiles: CC(C1CC(OC1=O)(C)c1csc(n1)N)C

STK010121
Synonyms: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C(N1CCN(CC1)c1ccccc1)CN1C(=O)c2c(C1=O)cccc2

STK010128
Synonyms: ethyl{2-bromo-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy}acetate
Smiles: CCOC(=O)COc1ccc(cc1Br)/C=C\1/NC(=O)NC1=O

STK010144
Synonyms: N-(3-chloropyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Smiles: O=C(c1ccc2c(c1)OCCO2)Nc1ncccc1Cl

STK010148
Synonyms: N-acetyl-N-(3-benzylidene-5-phenyl-1H-3lambda~5~-imidazol-2-yl)acetamide
Smiles: CC(=O)N(c1[nH]c(c/n/1=C\c1ccccc1)c1ccccc1)C(=O)C

STK010152
Synonyms: N-(5-bromopyridin-2-yl)-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)Nc1ccc(cn1)Br

STK010156
Synonyms: 4-(4-methoxyphenyl)-2-thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile
Smiles: COc1ccc(cc1)c1c2CCCCCCc2[nH]c(=S)c1C#N

STK010174
Synonyms: 1-[(E)-amino(1,3-benzothiazol-2-ylamino)methylidene]-3-ethylurea
Smiles: CCNC(=O)/N=C(/Nc1nc2c(s1)cccc2)\N

STK010184
Synonyms: 2'-methoxybiphenyl-4-carboxylicacid
Smiles: COc1ccccc1c1ccc(cc1)C(=O)O

STK010194
Synonyms: (5E)-5-(4-hydroxy-3-nitrobenzylidene)-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Cc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])O)/C1=O

STK010206
Synonyms: N-(4-cyanophenyl)-N'-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide
Smiles: N#Cc1ccc(cc1)NC(=O)CCC(=O)NCCc1ccc(c(c1)OC)OC

STK010228
Synonyms: 5-hydroxy-2-({[4-(4-nitrophenoxy)phenyl]carbonyl}amino)benzoicacid
Smiles: Oc1ccc(c(c1)C(=O)O)NC(=O)c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]

STK010235
Synonyms: 2-amino-6-methoxy-9-methyl-9H-pyrido[2,3-b]indole-3,4-dicarbonitrile
Smiles: N#Cc1c(C#N)c(N)nc2c1c1cc(OC)ccc1n2C

STK010239
Synonyms: (6Z)-6-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2scc(n2C(=N)/C/1=C/c1ccc(o1)c1ccc(cc1Cl)[N+](=O)[O-])c1ccccc1

STK010250
Synonyms: 1-(4-butylcyclohexyl)-3-(dimethylamino)propan-1-one
Smiles: CCCCC1CCC(CC1)C(=O)CCN(C)C

STK010259
Synonyms: methyl{[4-oxo-3-(prop-2-en-1-yl)-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Smiles: C=CCN1C(SCC(=O)OC)Nc2c(C1=O)c1CCCCc1s2

STK010266
Synonyms: methyl4-{[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino}benzoate
Smiles: COc1ccc(cc1)c1nc(sc1C)Nc1ccc(cc1)C(=O)OC

STK010314
Synonyms: N'-(2,4-dinitrophenyl)tricyclo[3.3.1.1~3,7~]decane-1-carbohydrazide
Smiles: O=C(C12CC3CC(C2)CC(C1)C3)NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

STK010316
Synonyms: [4-(2,4-dimethylphenyl)-4-(hydroxy-kappaO)but-3-en-2-onato-kappaO](difluoro)boron
Smiles: Cc1ccc(c(c1)C)C1=CC(=[O+][B-](O1)(F)F)C

STK010331
Synonyms: (6Z)-2-ethyl-5-imino-6-[4-(1-phenylethoxy)benzylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OC(c3ccccc3)C)/C2=N)s1

STK010358
Synonyms: N-(4-chlorophenyl)-2-[(2,2-dimethylpropanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Smiles: CC1CCc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)C(C)(C)C

STK010374
Synonyms: ethyl(2Z)-2-{[1-(4-chlorobenzyl)-2-methyl-1H-indol-3-yl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)/c(=C/c1c(C)n(c3c1cccc3)Cc1ccc(cc1)Cl)/s2

STK010393
Synonyms: (2E)-2-(4-{3-[2-(butan-2-yl)phenoxy]propoxy}-3-ethoxybenzylidene)hydrazinecarboxamide
Smiles: CCOc1cc(/C=N/NC(=O)N)ccc1OCCCOc1ccccc1C(CC)C

STK010400
Synonyms: N-methyl-N-(4-{(2Z)-2-[3-(4-nitrophenyl)-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}phenyl)acetamide
Smiles: CC(=O)N(c1ccc(cc1)N/N=C\1/C(=NN(C1=O)c1ccccc1)c1ccc(cc1)[N+](=O)[O-])C

STK010434
Synonyms: 3-[(4-ethylpiperazin-1-yl)methyl]-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
Smiles: CCN1CCN(CC1)Cc1c(nc2n1cccc2C)c1ccc(cc1)C

STK010456
Synonyms: (6E)-6-{5-bromo-2-[(2-chlorobenzyl)oxy]benzylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCc1nn2c(=NC(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3Cl)/C2=N)s1

STK010463
Synonyms: ethyl1-[(4-ethoxyphenyl)carbonyl]piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)OCC

STK010492
Synonyms: N'-[(E)-biphenyl-4-yl(phenyl)methylidene]-3-phenylpropanehydrazide
Smiles: O=C(N/N=C(/c1ccc(cc1)c1ccccc1)\c1ccccc1)CCc1ccccc1

STK010527
Synonyms: 3-(benzyloxy)-N-(3-methylpyridin-2-yl)benzamide
Smiles: O=C(c1cccc(c1)OCc1ccccc1)Nc1ncccc1C

STK010530
Synonyms: (5-bromo-1H-indol-3-yl)methanol
Smiles: OCc1c[nH]c2c1cc(Br)cc2

STK010546
Synonyms: {[(4E)-4-[(4-chlorophenyl)imino]-1-(cyanomethyl)-1,3-diazaspiro[4.4]non-2-en-2-yl]sulfanyl}aceticacid
Smiles: N#CCN1C(=N/C(=N/c2ccc(cc2)Cl)/C21CCCC2)SCC(=O)O

STK010548
Synonyms: 1-(2,4-dimethoxybenzyl)-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1ccc(cc1OC)OC)C

STK010561
Synonyms: N-[(E)-naphthalen-1-ylmethylidene]pyridin-2-amine
Smiles: c1ccc(nc1)/N=C/c1cccc2c1cccc2

STK010566
Synonyms: N-(4-chloro-2-nitrophenyl)-3-methylbenzamide
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])NC(=O)c1cccc(c1)C

STK010615
Synonyms: 4-{5-[(1Z)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]furan-2-yl}benzoicacid
Smiles: N#C/C(=C/c1ccc(o1)c1ccc(cc1)C(=O)O)/C(=O)NCCc1c[nH]c2c1cccc2

STK010622
Synonyms: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione
Smiles: O=C1C(=C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)C(=O)c2c1cccc2)Cl

STK010628
Synonyms: N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
Smiles: CN(CC(CNC(=O)C1CCN(CC1)Cc1ccc(o1)C)(C)C)C

STK010632
Synonyms: (3E)-3-{2-[(4-methoxyphenyl)acetyl]hydrazinylidene}-N-(pyridin-2-yl)butanamide
Smiles: COc1ccc(cc1)CC(=O)N/N=C(/CC(=O)Nc1ccccn1)\C

STK010642
Synonyms: 8-[(2E)-2-(5-bromo-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(N/N=C/2\c3cc(Br)ccc3N(C2=O)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1

STK010646
Synonyms: 3-(2-methoxybenzyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
Smiles: COc1ccccc1Cc1noc(n1)c1ccccc1C

STK010649
Synonyms: O-{[2,2'-bis(dimethylamino)-2,2'-disulfido-4,4'-bi-1,3,2-dioxaphosphol-5-yl]methyl}N,N,N',N'-tetramethylphosphorodiamidothioate
Smiles: CN(P1(=S)OC(C(O1)COP(=S)(N(C)C)N(C)C)C1COP(=S)(O1)N(C)C)C

STK010669
Synonyms: 1-ethyl-3-{[(E)-thiophen-2-ylmethylidene]amino}-1,3-dihydro-2H-benzimidazole-2-thione
Smiles: CCn1c(=S)n(c2c1cccc2)/N=C/c1cccs1

STK010676
Synonyms: 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzamide
Smiles: O=C1C=CC(=O)N1c1cccc(c1)C(=O)N

STK010733
Synonyms: 1-(3-{[4-(4-butyl-2-methyl-5-oxotetrahydrofuran-2-yl)-1,3-thiazol-2-yl]amino}propyl)thiourea
Smiles: CCCCC1CC(OC1=O)(C)c1csc(n1)NCCCNC(=S)N

STK010740
Synonyms: N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide
Smiles: CCC(=O)Nc1ccc2c(c1)sc(n2)SCc1ccccc1F

STK010746
Synonyms: 2-chloro-5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoicacid
Smiles: O=C(NC(=S)Nc1ccc(c(c1)C(=O)O)Cl)/C=C/c1ccc(cc1)Cl

STK010755
Synonyms: 1,8,8-trimethyl-1,3,4,7,8,10-hexahydro-2H,6H-pyrimido[1,2-a]thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-6-one
Smiles: CN1CCCn2c1nc1sc3c(c1c2=O)CC(SC3)(C)C

STK010761
Synonyms: (5E)-5-(3-bromo-5-chloro-4-hydroxybenzylidene)-3-(2-fluorobenzyl)imidazolidine-2,4-dione
Smiles: O=C1N/C(=C/c2cc(Cl)c(c(c2)Br)O)/C(=O)N1Cc1ccccc1F

STK010767
Synonyms: 5-({1-[2-(4-cyclohexylphenoxy)ethyl]-2-methyl-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)C(=Cc2c(C)n(c3c2cccc3)CCOc2ccc(cc2)C2CCCCC2)C(=O)N1

STK010769
Synonyms: 2-(4-fluorophenyl)-3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]benzothiazole
Smiles: Fc1ccc(cc1)c1nc2n(c1CN1CCOCC1)c1c(s2)cccc1

STK010810
Synonyms: 8-amino-1,3-dimethyl-9-nitrobenzo[g]pteridine-2,4(1H,3H)-dione
Smiles: O=c1n(C)c2nc3c(nc2c(=O)n1C)ccc(c3[N+](=O)[O-])N

STK010814
Synonyms: 2-(2,5-dimethyl-1H-indol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
Smiles: O=C(Cc1c(C)[nH]c2c1cc(C)cc2)NCc1cccs1

STK010818
Synonyms: N-(3-methylbutyl)pyridine-4-carboxamide
Smiles: CC(CCNC(=O)c1ccncc1)C

STK010820
Synonyms: 2,4-dichloro-N-[4-({[(3-nitrophenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide
Smiles: S=C(NC(=O)c1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)NC(=O)c1ccc(cc1Cl)Cl

STK010837
Synonyms: 5-methyl-5-[2-(phenylamino)-1,3-thiazol-4-yl]dihydrofuran-2(3H)-one
Smiles: O=C1CCC(O1)(C)c1csc(n1)Nc1ccccc1

STK010840
Synonyms: methyl(1S,2R,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(pyridin-3-yl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1cccnc1)C(=O)N)C(=O)C

STK010874
Synonyms: N'-{[2-(4-tert-butylphenoxy)acetyl]oxy}pyridine-2-carboximidamide
Smiles: O=C(COc1ccc(cc1)C(C)(C)C)O/N=C(/c1ccccn1)\N

STK010879
Synonyms: (4Z)-4-[(6-fluoro-4-oxo-4H-chromen-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Fc1ccc2c(c1)c(=O)c(co2)/C=C\1/C(=NN(C1=O)c1ccccc1)C

STK010900
Synonyms: N-{(2Z)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-chromen-2-ylidene}-1,3-thiazol-2-amine
Smiles: COc1ccc(cc1)c1csc(n1)c1cc2ccccc2o/c/1=N\c1nccs1

STK010902
Synonyms: 1,3-dimethyl-6-(2-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: O=c1c2cn(cc2n(c(=O)n1C)C)c1ccccc1C

STK010904
Synonyms: 3-(3-{[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]amino}phenyl)-2H-chromen-2-one
Smiles: O=c1oc2ccccc2cc1c1cccc(c1)/N=C/C=C/c1ccccc1[N+](=O)[O-]

STK010918
Synonyms: 4-[3-(2-chloro-6-fluorobenzyl)-1,2,4-oxadiazol-5-yl]benzonitrile
Smiles: N#Cc1ccc(cc1)c1onc(n1)Cc1c(F)cccc1Cl

STK010925
Synonyms: 3-fluoro-N-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl}benzamide
Smiles: S=C(NC(=O)c1cccc(c1)F)Nc1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK010949
Synonyms:
Smiles: Clc1ccc(cc1Cl)/C=N/n1c[nH]nc1

STK010960
Synonyms: tert-butyl(2E)-2-[2,2,2-trifluoro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethylidene]hydrazinecarboxylate
Smiles: O=C(OC(C)(C)C)N/N=C(/C(F)(F)F)\c1c(C)nn(c1O)c1ccccc1

STK010973
Synonyms: 1,1'-piperazine-1,4-diylbis[2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorotetrahydrofuran-2-yl)ethanone]
Smiles: O=C(C(C1(F)OC(C(C1(F)F)(F)F)(F)F)(F)F)N1CCN(CC1)C(=O)C(C1(F)OC(C(C1(F)F)(F)F)(F)F)(F)F

STK010980
Synonyms: (4Z)-4-(5-chloro-2-hydroxy-3-methoxybenzylidene)-1-(4-fluorophenyl)pyrazolidine-3,5-dione
Smiles: COc1cc(Cl)cc(c1O)/C=C\1/C(=O)NN(C1=O)c1ccc(cc1)F

STK011001
Synonyms: 1-[4-(benzyloxy)benzyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
Smiles: CN(CC(CNC(=O)C1CCN(CC1)Cc1ccc(cc1)OCc1ccccc1)(C)C)C

STK011016
Synonyms: 5-nitro-3-propyl-1,2,4-oxadiazole
Smiles: CCCc1noc(n1)[N+](=O)[O-]

STK011065
Synonyms: (6Z)-6-{3-[2-(4-hexylphenoxy)ethoxy]benzylidene}-5-imino-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCCCc1ccc(cc1)OCCOc1cccc(c1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1

STK011073
Synonyms: 2,8-dimethyl-3-(morpholin-4-ylmethyl)-5,6-dihydrodipyrrolo[1,2-a:2',1'-c]pyrazine
Smiles: Cc1cc2n(c1CN1CCOCC1)CCn1c2ccc1C

STK011099
Synonyms: methyl5-[(1E)-1-cyanoprop-1-en-2-yl]-4-methyl-2-{[(4-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Smiles: N#C/C=C(/c1sc(c(c1C)C(=O)OC)NC(=O)c1ccc(cc1)[N+](=O)[O-])\C

STK011115
Synonyms: N-[(3-hydroxypyridin-2-yl)carbamothioyl]-2-methyl-3-nitrobenzamide
Smiles: S=C(Nc1ncccc1O)NC(=O)c1cccc(c1C)[N+](=O)[O-]

STK011116
Synonyms: 3,7-dibenzyl-2-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: C=CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C3)Cc1ccccc1

STK011144
Synonyms: 2-(5-chloro-2-oxopyridin-1(2H)-yl)-1-phenyl-3-[4-(piperidin-1-ylcarbonyl)piperidin-1-yl]propane-1,3-dione
Smiles: Clc1ccc(=O)n(c1)C(C(=O)c1ccccc1)C(=O)N1CCC(CC1)C(=O)N1CCCCC1

STK011168
Synonyms: 2-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole
Smiles: Clc1ccc(cc1)c1nnc(s1)c1ccc(cc1)Br

STK011173
Synonyms: 5-[4-(1,1,2,2,3,3-hexafluoropropoxy)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
Smiles: FC(C(C(Oc1ccc(cc1)c1onc(n1)c1ccccc1C)(F)F)(F)F)F

STK011177
Synonyms: 1-(2-chloro-6-fluorobenzyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
Smiles: COc1ccc(cc1OC)CCN(C(=O)C1CCN(CC1)Cc1c(F)cccc1Cl)C

STK011186
Synonyms: (6Z)-6-{3-bromo-4-[3-(4-chlorophenoxy)propoxy]-5-methoxybenzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(cc(c1OCCCOc1ccc(cc1)Cl)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK011197
Synonyms: sodiumS-[2-({[2-(1H-indol-3-yl)ethyl]carbamoyl}oxy)ethyl]sulfurothioate
Smiles: O=C(OCCSS(=O)(=O)[O-])NCCc1c[nH]c2c1cccc2.[Na+]

STK011211
Synonyms: (6Z)-5-imino-3-phenyl-6-[(1-{2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2scc(n2C(=N)/C/1=C/c1cn(c2c1cccc2)CCOc1ccc(cc1)C(c1ccccc1)(C)C)c1ccccc1

STK011226
Synonyms: 6-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N,N-dimethyl-2-(propan-2-yl)pyrimidin-4-amine
Smiles: CC(c1nc(N/N=C/c2c3ccccc3cc3c2cccc3)cc(n1)N(C)C)C

STK011239
Synonyms: S-(1-cyclohexyl-1H-benzimidazol-2-yl)10H-phenothiazine-10-carbothioate
Smiles: O=C(N1c2ccccc2Sc2c1cccc2)Sc1nc2c(n1C1CCCCC1)cccc2

STK011250
Synonyms: N-{[4-(piperidin-1-yl)phenyl]carbamothioyl}hexanamide
Smiles: CCCCCC(=O)NC(=S)Nc1ccc(cc1)N1CCCCC1

STK011252
Synonyms: 2-(1H-benzimidazol-2-ylamino)-1-methylquinazolin-4(1H)-one
Smiles: Cn1c(Nc2nc3c([nH]2)cccc3)nc(=O)c2c1cccc2

STK011262
Synonyms: 4-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoicacid
Smiles: CCCCOc1ccc(cc1)C(=O)NC(=S)Nc1ccc(c(c1)Cl)C(=O)O

STK011283
Synonyms: 2-{[3-(phenylamino)phenyl]amino}naphthalene-1,4-dione
Smiles: O=C1C(=CC(=O)c2c1cccc2)Nc1cccc(c1)Nc1ccccc1

STK011284
Synonyms: 2-(methylamino)phenol
Smiles: CNc1ccccc1O

STK011285
Synonyms: (2Z)-3-{2-methyl-1-[2-(2-methylphenoxy)ethyl]-1H-indol-3-yl}-2-(4-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1c(C)n(c2c1cccc2)CCOc1ccccc1C)/c1ccc(cc1)[N+](=O)[O-]

STK011296
Synonyms: 2-(phenylcarbonyl)-2-(pyridin-3-yl)-1H-indene-1,3(2H)-dione
Smiles: O=C(C1(c2cccnc2)C(=O)c2c(C1=O)cccc2)c1ccccc1

STK011329
Synonyms: 5-chloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
Smiles: Clc1ccc2c(c1)C(O)(CC(=O)c1ccccc1O)C(=O)N2

STK011331
Synonyms: benzyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4,5-trimethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1cc(OC)c(cc1OC)OC)(C#N)C#N

STK011335
Synonyms: ethyl(2E)-2-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}benzylidene)hydrazinecarboxylate
Smiles: CCOC(=O)N/N=C/c1ccc(cc1)OCCSc1ccc(cc1)Cl

STK011361
Synonyms: (5Z)-5-{2-[2-(2-phenoxyethoxy)ethoxy]benzylidene}-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2ccccc2OCCOCCOc2ccccc2)/C(=O)N1c1ccccc1

STK011362
Synonyms: 5-{4-[(5-methylhexyl)oxy]phenyl}imidazolidine-2,4-dione
Smiles: CC(CCCCOc1ccc(cc1)C1NC(=O)NC1=O)C

STK011382
Synonyms: methyl5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylate
Smiles: COC(=O)c1cc(C)c([nH]c1=O)C

STK011387
Synonyms: (4E)-4-[2-(2,4-dimethylphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Smiles: Cc1ccc(c(c1)C)N/N=C/1\C(=NN(C1=O)C(=S)N)c1ccc(cc1)[N+](=O)[O-]

STK011390
Synonyms: 1-[3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]-3-phenoxypropan-2-ol
Smiles: OC(Cn1c(=N)n(c2c1cccc2)Cc1ccc(cc1)C(C)(C)C)COc1ccccc1

STK011399
Synonyms: N-(6-bromo-2-oxo-2H-chromen-3-yl)benzamide
Smiles: Brc1ccc2c(c1)cc(c(=O)o2)NC(=O)c1ccccc1

STK011416
Synonyms: 2-amino-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Smiles: COc1ccc(cc1)c1c(C#N)c(N)nc2c1CCC2

STK011443
Synonyms: 2-[(4-ethylphenyl)amino]-2-oxoethyl1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
Smiles: CCc1ccc(cc1)NC(=O)COC(=O)C1CC(=O)N(C1)c1ccc(cc1)C

STK011444
Synonyms: 6-(2-fluorophenyl)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one
Smiles: Fc1ccccc1c1oc(=O)c2c(n1)n(nc2)c1ccccc1

STK011446
Synonyms: 1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxopyridin-1(2H)-yl)propanoyl]-N-[2-(morpholin-4-yl)ethyl]piperidine-4-carboxamide
Smiles: Fc1ccc(cc1)C(=O)C(n1ccccc1=O)C(=O)N1CCC(CC1)C(=O)NCCN1CCOCC1

STK011457
Synonyms: 1-[2-(5-chloro-2-oxopyridin-1(2H)-yl)-3-oxo-3-phenylpropanoyl]-N-ethyl-N-(2-methylprop-2-en-1-yl)piperidine-4-carboxamide
Smiles: CCN(C(=O)C1CCN(CC1)C(=O)C(n1cc(Cl)ccc1=O)C(=O)c1ccccc1)CC(=C)C

STK011466
Synonyms: 1-(4-chlorophenyl)-2-[(2-methoxyphenyl)amino]ethanone
Smiles: COc1ccccc1NCC(=O)c1ccc(cc1)Cl

STK011482
Synonyms: (5Z)-6-methyl-2H-[1,3,5,6]thiatriazocino[3,2-a]benzimidazol-3(4H)-one
Smiles: O=C1NN=C(C)n2c(SC1)nc1c2cccc1

STK011486
Synonyms: 2-methoxy-N-[5-({2-[(4-methylbenzyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
Smiles: COc1ccccc1C(=O)Nc1nnc(s1)SCC(=O)NCc1ccc(cc1)C

STK011506
Synonyms: benzyl2-(acetylamino)-2-deoxy-3,4-bis-O-(phenylcarbonyl)-alpha-D-glucopyranoside
Smiles: OC[C@H]1O[C@H](OCc2ccccc2)[C@@H]([C@H]([C@@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)NC(=O)C

STK011518
Synonyms: (4E)-4-(4-chlorophenyl)-4-[5-(4-chlorophenyl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]butanoicacid
Smiles: OC(=O)CC/C(=C\1/C=C(NC1=O)c1ccc(cc1)Cl)/c1ccc(cc1)Cl

STK011525
Synonyms: [2-methyl-4-(morpholin-4-yl)-1,1-dioxido-2H-1,2-benzothiazin-3-yl](phenyl)methanone
Smiles: O=C(C1=C(N2CCOCC2)c2ccccc2S(=O)(=O)N1C)c1ccccc1

STK011541
Synonyms: 1-[2-(5-chloro-2-oxopyridin-1(2H)-yl)-3-(3-nitrophenyl)-3-oxopropanoyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
Smiles: OCCNC(=O)C1CCN(CC1)C(=O)C(n1cc(Cl)ccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-]

STK011551
Synonyms: 1-[5-(2-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea
Smiles: O=C(Nc1nnc(s1)c1ccccc1Br)Nc1ccc(c(c1)C)C

STK011562
Synonyms: N,N'-naphthalene-1,5-diylbis(4-iodobenzamide)
Smiles: Ic1ccc(cc1)C(=O)Nc1cccc2c1cccc2NC(=O)c1ccc(cc1)I

STK011576
Synonyms: 2-[(3,4-dichlorobenzyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CC(=C)Cn1c(SCc2ccc(c(c2)Cl)Cl)nc2c(c1=O)c1CCCc1s2

STK011582
Synonyms: 2-[4-(dimethylamino)phenyl]-N-[(E)-(5-nitrothiophen-2-yl)methylidene]-1,3-benzoxazol-5-amine
Smiles: CN(c1ccc(cc1)c1oc2c(n1)cc(cc2)/N=C/c1ccc(s1)[N+](=O)[O-])C

STK011603
Synonyms: N-({4-[(thiophen-2-ylcarbonyl)amino]phenyl}carbamothioyl)thiophene-2-carboxamide
Smiles: S=C(NC(=O)c1cccs1)Nc1ccc(cc1)NC(=O)c1cccs1

STK011630
Synonyms: 5-[(2,4,6-trimethylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-amine
Smiles: Cc1cc(C)c(c(c1)C)CSc1nnc(s1)N

STK011642
Synonyms: tert-butyl(2E)-2-(5-bromo-2-hydroxy-3-methoxybenzylidene)hydrazinecarboxylate
Smiles: COc1cc(Br)cc(c1O)/C=N/NC(=O)OC(C)(C)C

STK011693
Synonyms: (2Z)-2-({1-[3-(3,4-dimethylphenoxy)propyl]-1H-indol-3-yl}methylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: Cc1ccc(cc1C)OCCCn1cc(c2c1cccc2)/C=c/1\sc2n(c1=O)c1c(n2)cccc1

STK011700
Synonyms: (5Z)-5-(2-chloro-5-nitrobenzylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: [O-][N+](=O)c1cc(/C=C/2\SC(=S)N(C2=O)C)c(cc1)Cl

STK011712
Synonyms: 1-(4-chlorophenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
Smiles: COc1ccccc1c1nnc(s1)NC(=O)Nc1ccc(cc1)Cl

STK011726
Synonyms: N-(3-methoxypropyl)-1-[3-oxo-2-(2-oxopyridin-1(2H)-yl)-3-phenylpropanoyl]piperidine-4-carboxamide
Smiles: COCCCNC(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1

STK011733
Synonyms: 4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine
Smiles: COc1ccc(cc1)c1nnc(c2c1cccc2)NCc1ccc(o1)C

STK011755
Synonyms: (5-nitro-1H-benzimidazol-2-yl)acetonitrile
Smiles: N#CCc1nc2c([nH]1)ccc(c2)[N+](=O)[O-]

STK011760
Synonyms: N-(5-methylpyridin-2-yl)-2-phenylquinoline-4-carboxamide
Smiles: Cc1ccc(nc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1

STK011769
Synonyms: ethylN-[(3,4-dimethoxycyclohexa-2,4-dien-1-yl)carbonyl]glycinate
Smiles: CCOC(=O)CNC(=O)C1CC=C(C(=C1)OC)OC

STK011781
Synonyms: 6-amino-1-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-4,7-dihydro-1H-indazole-5-carbonitrile
Smiles: N#CC1=C(N)Cc2c(C1c1ccc(cc1)Cl)c(C)nn2c1cccc(c1)Cl

STK011817
Synonyms: methyl[4-bromo-2-(morpholin-4-ylmethyl)phenoxy]acetate
Smiles: COC(=O)COc1ccc(cc1CN1CCOCC1)Br

STK011818
Synonyms: (5S)-5-methyl-5-{4-[(5-methylhexyl)oxy]phenyl}imidazolidine-2,4-dione
Smiles: CC(CCCCOc1ccc(cc1)[C@]1(C)NC(=O)NC1=O)C

STK011827
Synonyms: 1-(3-ethoxy-2-hydroxybenzyl)-N-(2-phenylethyl)piperidine-4-carboxamide
Smiles: CCOc1cccc(c1O)CN1CCC(CC1)C(=O)NCCc1ccccc1

STK011828
Synonyms: 4-(4-methylphenyl)-N-(naphthalen-1-yl)-4-oxobutanamide
Smiles: O=C(Nc1cccc2c1cccc2)CCC(=O)c1ccc(cc1)C

STK011837
Synonyms: propan-2-yl4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Smiles: O=C1NC(=C(C(C1)c1ccccc1Br)C(=O)OC(C)C)C

STK011848
Synonyms: 1-(3-methoxyphenyl)-3-[5-(thiophen-2-yl)-1,3,4-thiadiazol-2-yl]urea
Smiles: COc1cccc(c1)NC(=O)Nc1nnc(s1)c1cccs1

STK011855
Synonyms: 4-hydroxy-N-(3-hydroxypyridin-2-yl)-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCn1c(=O)c(C(=O)Nc2ncccc2O)c(c2c1cccc2)O

STK011875
Synonyms: 3-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-ethoxybenzamide
Smiles: CCOc1ccc(cc1Br)C(=O)Nc1cc(ccc1Cl)c1oc2c(n1)nccc2

STK011885
Synonyms: N'-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylidene]pyridine-4-carbohydrazide
Smiles: CCOc1cc(Cl)cc(c1O)/C=N/NC(=O)c1ccncc1

STK011889
Synonyms: potassium4-[(E)-morpholin-4-yldiazenyl]benzenesulfonate
Smiles: [O-]S(=O)(=O)c1ccc(cc1)/N=N/N1CCOCC1.[K+]

STK011906
Synonyms: methyl5-[(benzylsulfanyl)methyl]furan-2-carboxylate
Smiles: COC(=O)c1ccc(o1)CSCc1ccccc1

STK011923
Synonyms: (2Z)-3-{3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(Cl)c(c(c1)OC)OCCOc1ccccc1OC)/c1ccc(c(c1)OC)OC

STK011928
Synonyms: (6E)-2-benzyl-5-imino-6-{3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]benzylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCCOc1ccc(cc1)OC)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)Cc1ccccc1

STK011940
Synonyms: 1-(3a,8b-dihydroxy-2-methyl-4,8b-dihydro-3aH-indeno[1,2-b]furan-3-yl)ethanone
Smiles: CC(=O)C1=C(C)OC2(C1(O)Cc1c2cccc1)O

STK011947
Synonyms: 3-butoxy-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-phenyl-3-[4-(trifluoromethyl)phenyl]propanoicacid
Smiles: CCCCOC(C(C(=O)O)Oc1nc(C)cc(n1)C)(c1ccc(cc1)C(F)(F)F)c1ccccc1

STK011950
Synonyms: 2-chloro-5-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoicacid
Smiles: S=C(NC(=O)c1cccs1)Nc1ccc(c(c1)C(=O)O)Cl

STK011958
Synonyms: (6Z)-6-{3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-ethoxybenzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(cc(c1OCCOc1ccc(c(c1)C)Cl)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK011961
Synonyms: 7-benzyl-2-sulfanyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Sc1nc2sc3c(c2c(=O)[nH]1)CCN(C3)Cc1ccccc1

STK011979
Synonyms: 2-[hydroxy(piperidin-1-ylmethyl)phosphoryl]-3-phenylpropanoicacid
Smiles: OC(=O)C(P(=O)(CN1CCCCC1)O)Cc1ccccc1

STK011985
Synonyms: 4-ethoxy-N-[(2E)-pyrrolidin-2-ylidene]aniline
Smiles: CCOc1ccc(cc1)/N=C/1\CCCN1

STK011990
Synonyms: N-[4-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide
Smiles: Cc1nc(nc(c1)n1[nH]c(=O)ccc1=O)NS(=O)(=O)c1ccc(cc1)C

STK012009
Synonyms: 3-phenylpyrrolidin-3-ol
Smiles: OC1(CNCC1)c1ccccc1

STK012019
Synonyms: ethyl(2E)-2-cyano-3-{1-[2-(3,5-dimethylphenoxy)ethyl]-2-methyl-1H-indol-3-yl}prop-2-enoate
Smiles: CCOC(=O)/C(=C/c1c(C)n(c2c1cccc2)CCOc1cc(C)cc(c1)C)/C#N

STK012026
Synonyms: 4-methyl-N-[2-(methylsulfanyl)pyrimidin-5-yl]benzenesulfonamide
Smiles: CSc1ncc(cn1)NS(=O)(=O)c1ccc(cc1)C

STK012058
Synonyms: 1-[(4-bromonaphthalen-1-yl)sulfonyl]-4-methyl-1H-imidazole
Smiles: Cc1ncn(c1)S(=O)(=O)c1ccc(c2c1cccc2)Br

STK012059
Synonyms: 1-methylpiperidin-3-yl(4-chlorophenoxy)acetate
Smiles: CN1CCCC(C1)OC(=O)COc1ccc(cc1)Cl

STK012069
Synonyms: 1-(3,4-dimethoxybenzyl)-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1ccc(c(c1)OC)OC)C

STK012070
Synonyms: (3E)-N-(3,5-dimethylphenyl)-3-{2-[(3-methoxyphenoxy)acetyl]hydrazinylidene}butanamide
Smiles: COc1cccc(c1)OCC(=O)N/N=C(/CC(=O)Nc1cc(C)cc(c1)C)\C

STK012116
Synonyms: 4-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-iodo-6-methoxyphenyl4-methylbenzenesulfonate
Smiles: CCCc1sc2=NC(=O)/C(=C\c3cc(I)c(c(c3)OC)OS(=O)(=O)c3ccc(cc3)C)/C(=N)n2n1

STK012135
Synonyms: 2-(2-bromo-4-nitrophenoxy)-N'-[(1E)-1-(4-nitrothiophen-2-yl)ethylidene]acetohydrazide
Smiles: O=C(COc1ccc(cc1Br)[N+](=O)[O-])N/N=C(/c1scc(c1)[N+](=O)[O-])\C

STK012168
Synonyms: {4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}aceticacid
Smiles: OC(=O)COc1ccc(cc1)Oc1ncc(cc1Cl)Cl

STK012188
Synonyms: 4-tert-butyl-N-{4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}benzamide
Smiles: Clc1cccc(c1)c1onc(n1)c1ccc(cc1)NC(=O)c1ccc(cc1)C(C)(C)C

STK012196
Synonyms: N-[(E)-1H-indol-2-ylmethylidene]-2,2,6,6-tetramethylpiperidin-4-amine
Smiles: CC1(C)CC(/N=C/c2cc3c([nH]2)cccc3)CC(N1)(C)C

STK012208
Synonyms: (5Z)-1-(4-bromophenyl)-5-(4-{2-[(4-methylphenyl)sulfanyl]ethoxy}benzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Cc1ccc(cc1)SCCOc1ccc(cc1)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br

STK012215
Synonyms: (3E)-N-[2-(morpholin-4-yl)ethyl]-3-[2-(3-phenylpropanoyl)hydrazinylidene]butanamide
Smiles: O=C(C/C(=N/NC(=O)CCc1ccccc1)/C)NCCN1CCOCC1

STK012222
Synonyms: 17-(4-chloro-2,5-dimethoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylicacid(non-preferredname)
Smiles: COc1cc(Cl)c(cc1N1C(=O)C2C(C1=O)C1(C(=O)O)c3c(C2c2c1cccc2)cccc3)OC

STK012223
Synonyms: [3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl](4-bromophenyl)methanone
Smiles: Brc1ccc(cc1)C(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCC1

STK012229
Synonyms: ethyl(2E)-3-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-methyl-1H-indol-3-yl}-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C/c1c(C)n(c2c1cccc2)CCOc1ccc(c(c1)C)Cl)/C#N

STK012236
Synonyms: 1-(4-bromophenyl)-2-[(5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
Smiles: Cc1ccc(cc1)C(=O)CSc1nnc(s1)SCC(=O)c1ccc(cc1)Br

STK012256
Synonyms: 4-butoxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide
Smiles: CCCCOc1ccc(cc1)C(=O)NC(=S)Nc1nccs1

STK012259
Synonyms: 5-methyl-3-(4-methylpiperazin-1-yl)-5H-pyridazino[3,4-b][1,4]benzoxazine
Smiles: CN1CCN(CC1)c1nnc2c(c1)N(C)c1c(O2)cccc1

STK012269
Synonyms: N-tert-butyl-1-(cyclohexylmethyl)piperidine-4-carboxamide
Smiles: O=C(C1CCN(CC1)CC1CCCCC1)NC(C)(C)C

STK012282
Synonyms: methyl{4-bromo-2-[(E)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetate
Smiles: COC(=O)COc1ccc(cc1/C=C\1/SC(=O)N(C1=O)C)Br

STK012293
Synonyms: N-[(4-{[(E)-naphthalen-2-ylmethylidene]amino}phenyl)sulfonyl]acetamide
Smiles: CC(=O)NS(=O)(=O)c1ccc(cc1)/N=C/c1ccc2c(c1)cccc2

STK012326
Synonyms: (2E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide
Smiles: N#Cc1c(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])sc2c1CCCC2

STK012337
Synonyms: 4-amino-2-[4-(diethylamino)phenyl]-5H-chromeno[4,3-d]pyrimidin-5-one
Smiles: CCN(c1ccc(cc1)c1nc(N)c2c(n1)c1ccccc1oc2=O)CC

STK012340
Synonyms: (3Z)-3-{[4-chloro-2-(phenylcarbonyl)phenyl]imino}-5-nitro-1,3-dihydro-2H-indol-2-one
Smiles: Clc1ccc(c(c1)C(=O)c1ccccc1)/N=C/1\C(=O)Nc2c1cc(cc2)[N+](=O)[O-]

STK012341
Synonyms: (4E)-5-methyl-4-(5-methyl-2-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: C=CCc1ccccc1OCCOc1ccc(cc1/C=C/1\C(=NN(C1=O)c1ccccc1)C)C

STK012355
Synonyms: 3-(benzylsulfanyl)-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3,3-bis(4-fluorophenyl)propanoicacid
Smiles: OC(=O)C(C(c1ccc(cc1)F)(c1ccc(cc1)F)SCc1ccccc1)Oc1nc(C)cc(n1)C

STK012370
Synonyms: 3-{[(E)-(2-methyl-1H-indol-3-yl)methylidene]amino}benzamide
Smiles: NC(=O)c1cccc(c1)/N=C/c1c(C)[nH]c2c1cccc2

STK012380
Synonyms: [(5E)-5-{[5-(2,6-dichlorophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]aceticacid
Smiles: OC(=O)CN1C(=S)S/C(=C/c2ccc(o2)c2c(Cl)cccc2Cl)/C1=O

STK012389
Synonyms: [2-(4-chlorophenyl)-5-oxocyclopent-1-en-1-yl]aceticacid
Smiles: OC(=O)CC1=C(CCC1=O)c1ccc(cc1)Cl

STK012421
Synonyms: 1-[(N-acetylglycyl)amino]-N-phenylcyclohexanecarboxamide
Smiles: O=C(C1(CCCCC1)NC(=O)CNC(=O)C)Nc1ccccc1

STK012427
Synonyms: 1-[(4-ethoxynaphthalen-1-yl)sulfonyl]-1H-benzotriazole
Smiles: CCOc1ccc(c2c1cccc2)S(=O)(=O)n1nnc2c1cccc2

STK012429
Synonyms: 1,4-bis(2,4-dinitrophenyl)-2-methylpiperazine
Smiles: [O-][N+](=O)c1cc(ccc1N1CCN(C(C1)C)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

STK012455
Synonyms: 1-(diphenylmethyl)-4-(4-fluorobenzyl)piperazine
Smiles: Fc1ccc(cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1

STK012465
Synonyms: 3-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-5-methyl-1H-2,4-benzodiazepin-1-one
Smiles: CCOc1ccc2c(c1)c(C)nc(n2)Nc1nc(=O)c2c(c(n1)C)cccc2

STK012519
Synonyms: 4-ethyl-2-(4-methoxyphenyl)-4H-3,1-benzoxazine
Smiles: CCC1OC(=Nc2c1cccc2)c1ccc(cc1)OC

STK012527
Synonyms: (2E)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)OC)O)/C(=O)Nc1ccc(c(c1)Cl)C

STK012529
Synonyms: N-(4-methylbenzyl)-1-[3-oxo-2-(2-oxopyridin-1(2H)-yl)-3-phenylpropanoyl]piperidine-4-carboxamide
Smiles: O=C(C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1)NCc1ccc(cc1)C

STK012538
Synonyms: 4-({1-[4-(benzyloxy)phenyl]-3-methoxy-3-oxopropyl}amino)-4-oxobutanoicacid
Smiles: COC(=O)CC(c1ccc(cc1)OCc1ccccc1)NC(=O)CCC(=O)O

STK012553
Synonyms: N-[(E)-(2-chloro-5-nitrophenyl)methylidene]-4H-1,2,4-triazol-4-amine
Smiles: Clc1ccc(cc1/C=N/n1cnnc1)[N+](=O)[O-]

STK012569
Synonyms: 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoicacid
Smiles: COc1ccc(cc1)c1nc(sc1CCC(=O)O)NC1CCCCC1

STK012624
Synonyms: 3-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
Smiles: COc1cc(NC(=O)c2cccc(c2)C(F)(F)F)cc(c1OC)OC

STK012664
Synonyms: 4-[({4-[(7-methyloctyl)oxy]phenyl}carbonyl)amino]butanoate
Smiles: CC(CCCCCCOc1ccc(cc1)C(=O)NCCCC(=O)[O-])C

STK012695
Synonyms: (1-{2-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)aceticacid
Smiles: OC(=O)CC1(CCCC1)CC(=O)N1CCN(CC1)c1nc2ccc(cc2c(n1)c1ccccc1)Br

STK012710
Synonyms: 5-{5-bromo-2-[2-(3-ethyl-5-methylphenoxy)ethoxy]benzylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1cc(OCCOc2ccc(cc2C=C2C(=O)N(C)C(=O)N(C2=O)C)Br)cc(c1)C

STK012754
Synonyms: 1,1'-{5-[(3-nitrophenyl)carbonyl]-1,3,7-triazabicyclo[3.3.1]nonane-3,7-diyl}diethanone
Smiles: CC(=O)N1CN2CN(CC(C1)(C2)C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)C

STK012774
Synonyms: (2E)-N-(2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide
Smiles: O=C(Nc1ccc2c(c1)sc(n2)SCC(=O)N1CCCCC1)/C=C/c1ccccc1

STK012778
Synonyms: 2-chloro-4-nitro-N-{2-[(4-phenyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}aniline
Smiles: Clc1cc(ccc1NCCOc1nonc1c1ccccc1)[N+](=O)[O-]

STK012794
Synonyms: (5Z)-5-{3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxybenzylidene}-1-(3-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2cccc(c2)C)cc(c1OCCOc1ccc(c(c1)C)C)Br

STK012820
Synonyms: 2-(4-bromophenyl)-2-oxoethyl({2-[(4-butoxyphenyl)amino]-2-oxoethyl}sulfanyl)acetate
Smiles: CCCCOc1ccc(cc1)NC(=O)CSCC(=O)OCC(=O)c1ccc(cc1)Br

STK012849
Synonyms: 7-{4-[(3,5-dimethoxyphenyl)carbonyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: COc1cc(OC)cc(c1)C(=O)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK012857
Synonyms: 5-bromo-N-cyclopropylpyridine-3-carboxamide
Smiles: Brc1cncc(c1)C(=O)NC1CC1

STK012858
Synonyms: 4-[2-(oxiran-2-yl)ethoxy]phenyl4-[2-(oxiran-2-yl)ethoxy]benzoate
Smiles: O=C(c1ccc(cc1)OCCC1CO1)Oc1ccc(cc1)OCCC1CO1

STK012887
Synonyms: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nc2c(o1)cccc2)N/N=C/c1cc2OCOc2cc1Cl

STK012890
Synonyms: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2Z)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CC1S/C(=N\C2CCCCC2)/NC1=O)OC

STK012916
Synonyms: 2-(2,4-dichlorophenoxy)-N'-[(1E)-1-(1-hydroxynaphthalen-2-yl)ethylidene]acetohydrazide
Smiles: O=C(COc1ccc(cc1Cl)Cl)N/N=C(/c1ccc2c(c1O)cccc2)\C

STK012943
Synonyms: N-benzyl-3-bromo-N-tert-butylbenzamide
Smiles: Brc1cccc(c1)C(=O)N(C(C)(C)C)Cc1ccccc1

STK012954
Synonyms: 5,5-diethyl-2-[(3-methoxyphenyl)imino]dihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCC1(CC)C(=O)NC(=Nc2cccc(c2)OC)NC1=O

STK012963
Synonyms: N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-2H-chromene-3-carboxamide
Smiles: Clc1ccc2c(c1)sc(n2)NC(=O)c1cc2ccccc2oc1=O

STK012966
Synonyms: (5Z)-5-{3-chloro-5-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzylidene}-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCCCOc1ccc(cc1)C)Cl

STK012973
Synonyms: 2-{[(2-bromophenyl)carbonyl]amino}-N-(naphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Smiles: O=C(c1c(sc2c1CCCC2)NC(=O)c1ccccc1Br)Nc1cccc2c1cccc2

STK012994
Synonyms: 2,2'-(1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-diyl)diaceticacid
Smiles: OC(=O)CN1CC2(C)CN(CC(C1)(C2=O)C)CC(=O)O

STK013023
Synonyms: 1-(3-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCNC2c1cccc(c1)Cl

STK013032
Synonyms: N,N'-bis[(E)-(2-methylphenyl)methylidene]-2-nitrobenzene-1,4-diamine
Smiles: [O-][N+](=O)c1cc(/N=C/c2ccccc2C)ccc1/N=C/c1ccccc1C

STK013042
Synonyms: (4E)-4-[2-(4-methoxy-2-nitrophenyl)hydrazinylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(c(c1)[N+](=O)[O-])N/N=C\1/C(=O)N(N=C1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK013062
Synonyms: 1-(4-fluorophenyl)-3-{4-[(4-methylpiperazin-1-yl)carbonyl]piperidin-1-yl}-2-(2-oxopyridin-1(2H)-yl)propane-1,3-dione
Smiles: CN1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F

STK013073
Synonyms: ethyl5-{[(3-bromo-4-methoxyphenyl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C#N)NC(=O)c1ccc(c(c1)Br)OC

STK013080
Synonyms: 2-phenyl-3-(thiophen-3-yl)propanoicacid
Smiles: OC(=O)C(c1ccccc1)Cc1cscc1

STK013090
Synonyms: 2-methyl-3-nitro-N-[(E)-1H-pyrrol-2-ylmethylidene]aniline
Smiles: [O-][N+](=O)c1cccc(c1C)/N=C/c1ccc[nH]1

STK013091
Synonyms: N'-[(E)-{4-[3-(4-tert-butylphenoxy)propoxy]phenyl}methylidene]acetohydrazide
Smiles: CC(=O)N/N=C/c1ccc(cc1)OCCCOc1ccc(cc1)C(C)(C)C

STK013111
Synonyms: 4-chloro-3-[(2Z)-3-chlorobut-2-en-1-yl]-2-methylquinoline-6-carboxylicacid
Smiles: C/C(=C/Cc1c(C)nc2c(c1Cl)cc(cc2)C(=O)O)/Cl

STK013124
Synonyms: N'-[(E)-{1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(s1)C)N/N=C/c1cn(c2c1cccc2)CCOc1ccc(cc1)C(C)(C)C

STK013148
Synonyms: 5-amino-3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-ylthiocyanate
Smiles: N#CSc1c(nn(c1N)c1ccccc1)c1ccc(cc1)Br

STK013150
Synonyms: 3-{[(E)-1H-indol-3-ylmethylidene]amino}-2-[(naphthalen-1-yloxy)methyl]quinazolin-4(3H)-one
Smiles: O=c1n(/N=C/c2c[nH]c3c2cccc3)c(COc2cccc3c2cccc3)nc2c1cccc2

STK013167
Synonyms: 2-chloro-5-{[(phenylacetyl)carbamothioyl]amino}benzoicacid
Smiles: O=C(Cc1ccccc1)NC(=S)Nc1ccc(c(c1)C(=O)O)Cl

STK013191
Synonyms: 3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
Smiles: COc1ccc(cc1)CCN(C(=O)c1cccc(c1)F)C1CC(=O)N(C1=O)c1ccc(cc1)F

STK013202
Synonyms: 2-[(2E)-2-(3-fluorobenzylidene)hydrazinyl]pyridine-3-carboxylicacid
Smiles: Fc1cccc(c1)/C=N/Nc1ncccc1C(=O)O

STK013204
Synonyms: 1-(biphenyl-4-yl)-2-[1,1-dioxido-3-(phenylcarbonyl)-4-(piperidin-1-yl)-2H-1,2-benzothiazin-2-yl]ethanone
Smiles: O=C(c1ccc(cc1)c1ccccc1)CN1C(=C(N2CCCCC2)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

STK013206
Synonyms: N'-[(E)-{5-[(E)-(3-chloro-4-methylphenyl)diazenyl]-2-hydroxyphenyl}methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
Smiles: Cc1n[nH]c(c1)C(=O)N/N=C/c1cc(/N=N/c2ccc(c(c2)Cl)C)ccc1O

STK013209
Synonyms: (2Z)-2-[2-(4-bromophenyl)hydrazinylidene]-6-methyl-N-(pyridin-4-yl)-2H-chromene-3-carboxamide
Smiles: Cc1ccc2c(c1)cc(/c(=N/Nc1ccc(cc1)Br)/o2)C(=O)Nc1ccncc1

STK013226
Synonyms: 7-(4-bromophenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Brc1ccc(cc1)C1C2=C(Nc3n1ncn3)c1c(OC2)cccc1

STK013248
Synonyms: (2E)-3-[5-(2-nitrophenyl)furan-2-yl]-N-[4-(propanoylamino)phenyl]prop-2-enamide
Smiles: CCC(=O)Nc1ccc(cc1)NC(=O)/C=C/c1ccc(o1)c1ccccc1[N+](=O)[O-]

STK013260
Synonyms: (4Z)-4-[2-(3-acetylphenyl)hydrazinylidene]-2-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCCc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2cccc(c2)C(=O)C)/C1=O)C

STK013283
Synonyms: 4-methyl-N-{2-[(E)-({2-[(trimethylsilyl)oxy]ethyl}imino)methyl]phenyl}benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1/C=N/CCO[Si](C)(C)C

STK013306
Synonyms: 2-(diethylamino)-1-[4-(propan-2-yl)phenyl]ethanonehydrochloride
Smiles: CCN(CC(=O)c1ccc(cc1)C(C)C)CC.Cl

STK013315
Synonyms: 2-(2-bromo-4-chlorophenoxy)-N'-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(COc1ccc(cc1Br)Cl)N/N=C/c1cc(Cl)cc(c1O)[N+](=O)[O-]

STK013332
Synonyms: 1-[2-(2-methyl-5-oxo-4-propyltetrahydrofuran-2-yl)-2-oxoethyl]tetrahydropyridazine-3,6-dione(non-preferredname)
Smiles: CC1(CC(C(=O)O1)CCC)C(=O)CN1NC(=O)CCC1=O

STK013356
Synonyms: (5Z)-5-{2-[3-(4-tert-butylphenoxy)propoxy]-5-chlorobenzylidene}-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCN1C(=S)S/C(=C\c2cc(Cl)ccc2OCCCOc2ccc(cc2)C(C)(C)C)/C1=O

STK013357
Synonyms: 2,6-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
Smiles: O=C(c1c(Cl)cccc1Cl)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1

STK013393
Synonyms: (2E)-3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide
Smiles: COc1ccc(cc1/C=C/C(=O)Nc1ccccc1)Br

STK013400
Synonyms: 1-{(5-chlorothiophen-2-yl)[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]methyl}piperidine
Smiles: Clc1ccc(s1)C(c1nnnn1c1c(C)cccc1C)N1CCCCC1

STK013406
Synonyms: 9,9-dimethyl-12-[(E)-2-(2-nitrophenyl)ethenyl]-8,9,10,12-tetrahydrobenzo[a]acridin-11(7H)-one
Smiles: O=C1CC(C)(C)CC2=C1C(/C=C/c1ccccc1[N+](=O)[O-])c1c(N2)ccc2c1cccc2

STK013411
Synonyms: 5-(5-bromo-2-hydroxybenzylidene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: Brc1ccc(c(c1)/C=C/1\C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1)O

STK013420
Synonyms: {4-[(2,4-dimethylphenyl)amino]-2,6,8-trimethyl-3,4-dihydroquinolin-1(2H)-yl}(phenyl)methanone
Smiles: Cc1cc(C)c2c(c1)C(CC(N2C(=O)c1ccccc1)C)Nc1ccc(cc1C)C

STK013435
Synonyms: 1-(4-tert-butyl-2-nitrosophenyl)ethanone
Smiles: O=Nc1cc(ccc1C(=O)C)C(C)(C)C

STK013439
Synonyms: 5-(4-nitrophenoxy)furan-2-carbaldehyde
Smiles: O=Cc1ccc(o1)Oc1ccc(cc1)[N+](=O)[O-]

STK013464
Synonyms: 2-[(2,4-dichlorophenyl)amino]propanehydrazide(non-preferredname)
Smiles: NNC(=O)C(Nc1ccc(cc1Cl)Cl)C

STK013477
Synonyms: methylN-{4-[(4-chlorophenyl)amino]-4-oxobutanoyl}leucinate
Smiles: COC(=O)C(NC(=O)CCC(=O)Nc1ccc(cc1)Cl)CC(C)C

STK013481
Synonyms: N-({2-[(3-methyl-1H-pyrazol-5-yl)carbonyl]hydrazinyl}carbonothioyl)-2-phenylacetamide
Smiles: O=C(Cc1ccccc1)NC(=S)NNC(=O)c1[nH]nc(c1)C

STK013488
Synonyms: 4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}benzenesulfonamide
Smiles: Clc1ccc(cc1/C=N/c1ccc(cc1)S(=O)(=O)N)[N+](=O)[O-]

STK013521
Synonyms: 3-[(4Z)-4-{4-[(4-chlorobenzyl)oxy]-3-methoxybenzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: COc1cc(ccc1OCc1ccc(cc1)Cl)/C=C\1/C(=NN(C1=O)c1cccc(c1)C(=O)O)C

STK013536
Synonyms: 3-chloro-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide
Smiles: S=C(NC(=O)c1sc2c(c1Cl)cccc2)Nc1cc2nn(nc2cc1C)c1ccccc1

STK013554
Synonyms: (5-benzyl-3,6-dioxopiperazin-2-yl)aceticacid
Smiles: OC(=O)CC1NC(=O)C(NC1=O)Cc1ccccc1

STK013598
Synonyms: 5-(4-heptylphenyl)-3-[4'-(hexyloxy)biphenyl-4-yl]-1,2,4-oxadiazole
Smiles: CCCCCCCc1ccc(cc1)c1onc(n1)c1ccc(cc1)c1ccc(cc1)OCCCCCC

STK013637
Synonyms: 1-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
Smiles: CCOCCc1nnc(s1)NC(=O)Nc1ccccc1

STK013648
Synonyms: 1-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]naphthalen-2-ol
Smiles: Cc1ccc(cc1)N1CCN(C1c1c(O)ccc2c1cccc2)c1ccc(cc1)C

STK013651
Synonyms: 2-(2-oxopropoxy)-5-(2,6,8-trioxo-1,2,3,6,8,9-hexahydro-7H-purin-7-yl)tetrahydrofuran-3,4-diyldiacetate
Smiles: CC(=O)OC1C(OC(=O)C)C(OC1n1c(=O)[nH]c2c1c(=O)[nH]c(=O)[nH]2)OCC(=O)C

STK013653
Synonyms: 5-(4-{2-[4-(hexyloxy)phenoxy]ethoxy}benzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCCCCCOc1ccc(cc1)OCCOc1ccc(cc1)C=C1C(=O)N(C)C(=O)N(C1=O)C

STK013670
Synonyms: 1-{[4-(3-methylbutyl)-5-oxotetrahydrofuran-2-yl]methyl}-3-prop-2-en-1-ylthiourea(non-preferredname)
Smiles: C=CCNC(=S)NCC1OC(=O)C(C1)CCC(C)C

STK013717
Synonyms: (6Z)-6-{3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-ethoxybenzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(cc(c1OCCOc1ccccc1Cl)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK013754
Synonyms: N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(2,4,5-trichlorophenoxy)acetamide
Smiles: O=C(Nc1cc(ccc1Cl)c1nc2c(o1)cccn2)COc1cc(Cl)c(cc1Cl)Cl

STK013772
Synonyms: 1-(4-methylpiperazin-1-yl)ethanone
Smiles: CN1CCN(CC1)C(=O)C

STK013773
Synonyms: 2-chloro-4-formyl-6-methoxyphenylnaphthalene-1-carboxylate
Smiles: O=Cc1cc(Cl)c(c(c1)OC)OC(=O)c1cccc2c1cccc2

STK013776
Synonyms: 2-(2-bromo-5-fluorophenyl)-1,3-thiazolidine-4-carboxylicacid
Smiles: OC(=O)C1CSC(N1)c1cc(F)ccc1Br

STK013779
Synonyms: ethyl5-acetyl-2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(N)OC(=C(C1c1ccc(c(c1)OC)O)C(=O)C)C

STK013789
Synonyms: 3-bromo-4-ethoxy-N-[(3-hydroxypyridin-2-yl)carbamothioyl]benzamide
Smiles: CCOc1ccc(cc1Br)C(=O)NC(=S)Nc1ncccc1O

STK013825
Synonyms: ethyl4-{[(2Z)-3-(acetylcarbamoyl)-2H-chromen-2-ylidene]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)/N=c/1\oc2ccccc2cc1C(=O)NC(=O)C

STK013838
Synonyms: N-(4-chlorophenyl)-2-[(trifluoroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCC2

STK013864
Synonyms: 8-methyl-3-phenyl-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: Cc1ccc2c(c1)NC(c1cccnc1)C1=C(N2)CC(CC1=O)c1ccccc1

STK013868
Synonyms: 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(pyridin-2-yl)quinazolin-4(3H)-one
Smiles: Brc1ccc(c(c1)/C=C/c1nc2ccccc2c(=O)n1c1ccccn1)O

STK013871
Synonyms: ethyl3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanobicyclo[2.2.1]hept-5-ene-2-carboxylate
Smiles: CCOC(=O)C1(C#N)C2C=CC(C1c1ccc(c(c1)Br)N(C)C)C2

STK013874
Synonyms: 3,5-di-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
Smiles: OCC(NC(=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C

STK013897
Synonyms: 8-[(2E)-2-(5-bromo-2-hydroxybenzylidene)hydrazinyl]-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(N/N=C/c2cc(Br)ccc2O)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl

STK013902
Synonyms: N-[4-chloro-3-(trifluoromethyl)phenyl]-10H-phenothiazine-10-carboxamide
Smiles: O=C(N1c2ccccc2Sc2c1cccc2)Nc1ccc(c(c1)C(F)(F)F)Cl

STK013906
Synonyms: 1-(5,7-dinitro-2,3-dihydro-1H-indol-1-yl)ethanone
Smiles: CC(=O)N1CCc2c1c(cc(c2)[N+](=O)[O-])[N+](=O)[O-]

STK013924
Synonyms: 5-(4-chlorophenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
Smiles: Clc1ccc(cc1)c1onc(n1)c1ccccc1C

STK013925
Synonyms: 2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-N-(pyridin-3-ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)[nH]c2c(c1O)cccc2)NCc1cccnc1

STK013940
Synonyms: 2-{4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperazin-1-yl}ethanol
Smiles: OCCN1CCN(CC1)C1CCN(CC1)Cc1ccncc1

STK013944
Synonyms: 7,7-dimethyl-4-(4-methylphenyl)-1-sulfanyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cc1ccc(cc1)n1c(=O)c2c3CC(C)(C)OCc3sc2n2c1nnc2S

STK013948
Synonyms: 4-(4-{[(4-fluorophenyl)carbonyl]amino}phenoxy)benzoicacid
Smiles: Fc1ccc(cc1)C(=O)Nc1ccc(cc1)Oc1ccc(cc1)C(=O)O

STK013960
Synonyms: N-(3-methoxypropyl)-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxopyridin-1(2H)-yl)propanoyl]piperidine-4-carboxamide
Smiles: COCCCNC(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-]

STK013979
Synonyms: 3-bromo-N-(4-{[(3-iodophenyl)carbonyl]amino}phenyl)benzamide
Smiles: Brc1cccc(c1)C(=O)Nc1ccc(cc1)NC(=O)c1cccc(c1)I

STK013983
Synonyms: (6Z)-6-{3,5-dichloro-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene}-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1ccccc1OCCOc1c(Cl)cc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccc(cc1)C

STK013987
Synonyms: N-[1-(3-chlorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-4-yl]-2-(pyrrolidin-1-yl)acetamide
Smiles: Clc1cccc(c1)N1CCc2c1nc1ccccc1c2NC(=O)CN1CCCC1

STK014031
Synonyms: tert-butyl3-ethyl-5-hydroxy-5-(pyridin-3-yl)-4,5-dihydro-1H-pyrazole-1-carboxylate
Smiles: CCC1=NN(C(C1)(O)c1cccnc1)C(=O)OC(C)(C)C

STK014036
Synonyms: N-(4-methylphenyl)-5-oxo-1-[4-(propan-2-yl)phenyl]pyrrolidine-3-carboxamide
Smiles: O=C(C1CC(=O)N(C1)c1ccc(cc1)C(C)C)Nc1ccc(cc1)C

STK014038
Synonyms: (6Z)-6-{3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene}-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(cc(c1OCCOc1ccccc1OC)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(C)C

STK014054
Synonyms: (3E)-N-phenyl-3-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]butanamide
Smiles: C/C(=N\NC(=O)c1ccncc1)/CC(=O)Nc1ccccc1

STK014066
Synonyms: 1-(4-chlorophenyl)-3-[5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]urea
Smiles: O=C(Nc1ccc(cc1)Cl)Nc1nnc(s1)c1ccc(c(c1)C)C

STK014131
Synonyms: N-[(E)-1H-indol-3-ylmethylidene]-4-(trifluoromethoxy)aniline
Smiles: FC(Oc1ccc(cc1)/N=C/c1c[nH]c2c1cccc2)(F)F

STK014140
Synonyms: N-{4-[(1E)-1-(2-propanoylhydrazinylidene)ethyl]phenyl}acetamide
Smiles: CCC(=O)N/N=C(/c1ccc(cc1)NC(=O)C)\C

STK014142
Synonyms: N-(4-{[2-(phenylcarbonyl)hydrazinyl]sulfonyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)c1ccccc1

STK014147
Synonyms: N,N-dimethyl-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]aniline
Smiles: CN(c1ccc(cc1)C1NCC(O1)c1ccc(cc1)[N+](=O)[O-])C

STK014169
Synonyms: 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
Smiles: O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)N/N=C/c1cccn1C

STK014173
Synonyms: diethyl[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]oxy}propylidene]propanedioate
Smiles: CCOC(=O)C(=C(OC(=O)CCN1C(=O)c2c(C1=O)cccc2)CCN1C(=O)c2c(C1=O)cccc2)C(=O)OCC

STK014182
Synonyms: (4Z)-4-{2-[3-(hydroxymethyl)phenyl]hydrazinylidene}-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
Smiles: OCc1cccc(c1)N/N=C\1/C(=NN(C1=O)c1scc(n1)c1cccc(c1)[N+](=O)[O-])C

STK014186
Synonyms: 1-(2,3-dimethoxybenzyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)Cc1cccc(c1OC)OC

STK014189
Synonyms: N-[(2-chloro-4-nitrophenyl)carbamothioyl]-2-phenoxyacetamide
Smiles: O=C(NC(=S)Nc1ccc(cc1Cl)[N+](=O)[O-])COc1ccccc1

STK014195
Synonyms: 2-{2-[(2E)-2-benzylidenehydrazinyl]-2-oxoethoxy}-N'-[(E)-phenylmethylidene]benzohydrazide
Smiles: O=C(COc1ccccc1C(=O)N/N=C/c1ccccc1)N/N=C/c1ccccc1

STK014200
Synonyms: 4-bromo-N-(3,4-dichlorophenyl)-1H-pyrazole-1-carboxamide
Smiles: Brc1cnn(c1)C(=O)Nc1ccc(c(c1)Cl)Cl

STK014219
Synonyms: N-(6-hydroxy-6-methylheptan-2-yl)-1-(2-phenylpropyl)piperidine-4-carboxamide
Smiles: CC(NC(=O)C1CCN(CC1)CC(c1ccccc1)C)CCCC(O)(C)C

STK014220
Synonyms: N-(4,6-dimethylpyrimidin-2-yl)-2-phenylacetamide
Smiles: O=C(Nc1nc(C)cc(n1)C)Cc1ccccc1

STK014242
Synonyms: tert-butyl(2E)-2-{2-hydroxy-5-[(E)-naphthalen-1-yldiazenyl]benzylidene}hydrazinecarboxylate
Smiles: O=C(OC(C)(C)C)N/N=C/c1cc(ccc1O)/N=N/c1cccc2c1cccc2

STK014268
Synonyms: 2-methoxy-N-(naphthalen-2-yl)-2-phenylacetamide
Smiles: COC(c1ccccc1)C(=O)Nc1ccc2c(c1)cccc2

STK014282
Synonyms: ethyl3-methoxybenzoate
Smiles: CCOC(=O)c1cccc(c1)OC

STK014306
Synonyms: (2R,6R)-1,1-dimethyl-2,6-bis(2-methylpropyl)piperidiniumiodide
Smiles: CC(C[C@H]1CCC[C@@H]([N+]1(C)C)CC(C)C)C.[I-]

STK014397
Synonyms: 1-tert-butyl-3-(4,6-dimethylpyrimidin-2-yl)guanidine
Smiles: N=C(NC(C)(C)C)Nc1nc(C)cc(n1)C

STK014417
Synonyms: N-(4-phenoxyphenyl)-N'-(pyridin-3-yl)butanediamide
Smiles: O=C(Nc1ccc(cc1)Oc1ccccc1)CCC(=O)Nc1cccnc1

STK014429
Synonyms: (3-methylpiperidin-1-yl)[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanone
Smiles: CC1CCCN(C1)C(=O)C1CCN(CC1)Cc1cccc2c1cccc2

STK014435
Synonyms: ethyl1-{[1-(2,4-dimethoxybenzyl)piperidin-4-yl]carbonyl}piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)C(=O)C1CCN(CC1)Cc1ccc(cc1OC)OC

STK014436
Synonyms: N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-nitrophenyl)-3-oxo-2-(2-oxopyridin-1(2H)-yl)propanamide
Smiles: Clc1ccc(c(c1)Cl)CCNC(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-]

STK014439
Synonyms: (2E)-2-[1-(2-oxo-5-{[(propan-2-yloxy)methoxy]methyl}tetrahydrofuran-3-yl)propan-2-ylidene]hydrazinecarboxamide(non-preferredname)
Smiles: NC(=O)N/N=C(/CC1CC(OC1=O)COCOC(C)C)\C

STK014447
Synonyms: 2-[(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Smiles: CCc1nnc(s1)NC(=O)CSC1=NC(=O)C(C(=O)N1)c1ccccc1

STK014467
Synonyms: 7-(4-chlorobenzyl)-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CNc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)[nH]c(=O)n2C

STK014470
Synonyms: methyl4-{3-bromo-4-[(4-nitrobenzyl)oxy]phenyl}-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate
Smiles: COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)OCc1ccc(cc1)[N+](=O)[O-])C(=O)c1c2cccc1

STK014492
Synonyms: 2,4-dimethoxy-N-(pentan-2-yl)benzamide
Smiles: CCCC(NC(=O)c1ccc(cc1OC)OC)C

STK014530
Synonyms: 2-(3,4-dihydro-1H-isochromen-1-yl)imidazolidine
Smiles: C1CNC(N1)C1OCCc2c1cccc2

STK014569
Synonyms: (4Z)-4-{[(1E)-1-(2,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-yl]imino}-1-(3-hydroxyphenyl)-5,5-dimethylimidazolidine-2-thione
Smiles: Clc1ccc(c(c1)Cl)/C=C/C(C(C)(C)C)/N=C/1\NC(=S)N(C1(C)C)c1cccc(c1)O

STK014570
Synonyms: 3-(4-chlorophenyl)-5-dodecyl-1,2,4-oxadiazole
Smiles: CCCCCCCCCCCCc1onc(n1)c1ccc(cc1)Cl

STK014587
Synonyms: 4-(acetylamino)phenyl4-methyl-3-nitrobenzoate
Smiles: CC(=O)Nc1ccc(cc1)OC(=O)c1ccc(c(c1)[N+](=O)[O-])C

STK014597
Synonyms: {[(4E)-4-[(4-chlorophenyl)imino]-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-yl]sulfanyl}aceticacid
Smiles: OC(=O)CSC1=N/C(=N/c2ccc(cc2)Cl)/C2(N1c1ccc(cc1)C)CCCC2

STK014626
Synonyms: 1-amino-5-(4-chlorophenyl)-N-(4-fluorophenyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
Smiles: Fc1ccc(cc1)NC(=O)c1sc2c(c1N)c1CCCCc1c(n2)c1ccc(cc1)Cl

STK014643
Synonyms: 2-[(E)-2-(2-nitrophenyl)ethenyl]-3-phenylquinazolin-4(3H)-one
Smiles: [O-][N+](=O)c1ccccc1/C=C/c1nc2ccccc2c(=O)n1c1ccccc1

STK014686
Synonyms: 1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxopyridin-1(2H)-yl)propanoyl]-N-(propan-2-yl)piperidine-4-carboxamide
Smiles: CC(NC(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])C

STK014691
Synonyms: N-[bis(2-bromo-4,5-dimethoxyphenyl)methyl]-2-phenylacetamide
Smiles: COc1cc(c(cc1OC)Br)C(c1cc(OC)c(cc1Br)OC)NC(=O)Cc1ccccc1

STK014692
Synonyms: 6-(4-methylphenyl)-5-[(4-methylpiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
Smiles: CC1CCN(CC1)Cc1c(nc2n1ccs2)c1ccc(cc1)C

STK014703
Synonyms: 2-(5-chloro-2-oxopyridin-1(2H)-yl)-N-(furan-2-ylmethyl)-3-oxo-3-phenylpropanamide
Smiles: O=C(C(n1cc(Cl)ccc1=O)C(=O)c1ccccc1)NCc1ccco1

STK014712
Synonyms: N-methylpyridine-4-carboxamide-2,4-dichloro-6-(iminomethyl)phenol(1:1)
Smiles: CNC(=O)c1ccncc1.N=Cc1cc(Cl)cc(c1O)Cl

STK014728
Synonyms: (6E)-6-[4-(diethylamino)benzylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCc1sc2=NC(=O)/C(=C/c3ccc(cc3)N(CC)CC)/C(=N)n2n1

STK014732
Synonyms: methyl3-[4-(benzyloxy)phenyl]-3-[(3-oxo-2-propyl-2,3-dihydro-1H-isoindol-1-yl)amino]propanoate
Smiles: CCCN1C(=O)c2c(C1NC(c1ccc(cc1)OCc1ccccc1)CC(=O)OC)cccc2

STK014747
Synonyms: (5Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-1,3-thiazolidine-2,4-dione
Smiles: CCOc1cc(/C=C/2\SC(=O)N(C2=O)CC)cc(c1O)Br

STK014749
Synonyms: (2Z)-3-{2-methyl-1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}-2-(4-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1c(C)n(c2c1cccc2)CCOc1ccc(cc1)C)/c1ccc(cc1)[N+](=O)[O-]

STK014763
Synonyms: N-(2,3-dimethylcyclohexyl)-N'-(prop-2-en-1-yl)butanediamide
Smiles: CC1C(CCCC1C)NC(=O)CCC(=O)NCC=C

STK014767
Synonyms: sodium4-[(1E)-3-(1,3-benzothiazol-2-yl)triaz-1-en-1-yl]benzenesulfonate
Smiles: [O-]S(=O)(=O)c1ccc(cc1)/N=N/Nc1nc2c(s1)cccc2.[Na+]

STK014772
Synonyms: 2-[4-(tert-butylamino)-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-2-yl]-1-phenylethanone
Smiles: O=C(c1ccccc1)CN1C(=C(NC(C)(C)C)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

STK014775
Synonyms: 1-(4-fluorobenzyl)-4-methylpiperidine
Smiles: CC1CCN(CC1)Cc1ccc(cc1)F

STK014779
Synonyms: N-[4-({2-[(4-chlorophenyl)sulfonyl]hydrazinyl}carbonyl)phenyl]-2-methylbenzamide
Smiles: Clc1ccc(cc1)S(=O)(=O)NNC(=O)c1ccc(cc1)NC(=O)c1ccccc1C

STK014780
Synonyms: (2E)-1-(4-chlorophenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-en-1-one
Smiles: COc1ccc2c(c1)c(/C=C/C(=O)c1ccc(cc1)Cl)c[nH]2

STK014791
Synonyms: N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
Smiles: COc1ccc(cc1)c1nc2c(o1)ccc(c2)NC(=O)C(C)C

STK014815
Synonyms: 5-chloro-N-{5-chloro-2-[5-methyl-2-(propan-2-yl)phenoxy]phenyl}-2-hydroxybenzamide
Smiles: Clc1ccc(c(c1)NC(=O)c1cc(Cl)ccc1O)Oc1cc(C)ccc1C(C)C

STK014839
Synonyms: N-{(2Z)-3-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-8-methoxy-2H-chromen-2-ylidene}pyridin-2-amine
Smiles: CCc1ccc(cc1)c1csc(n1)c1cc2cccc(c2o/c/1=N\c1ccccn1)OC

STK014840
Synonyms: 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzenesulfonamide
Smiles: O=C1C2C3CCC(C2C(=O)N1c1ccc(cc1)S(=O)(=O)N)C=C3

STK014863
Synonyms: 2-methyl-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Cc1nc2sc3c(c2c(=O)n1c1ccccc1)CCC3

STK014876
Synonyms: N-(4-methoxyphenyl)-2H-1,4-benzoxazin-3-amine
Smiles: COc1ccc(cc1)NC1=Nc2c(OC1)cccc2

STK014892
Synonyms: (2E)-N-[5-({2-[(4-methylbenzyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Smiles: O=C(NCc1ccc(cc1)C)CSc1nnc(s1)NC(=O)/C=C/c1ccccc1

STK014908
Synonyms: (4Z)-4-[2-(4-fluorophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Smiles: Fc1ccc(cc1)N/N=C\1/C(=NN(C1=O)C(=S)N)c1ccc(cc1)[N+](=O)[O-]

STK014915
Synonyms: methyl4-(4-hydroxy-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1N=C(O)c2c(N1)sc1c2CCCC1

STK014926
Synonyms: 4-butylbenzamide
Smiles: CCCCc1ccc(cc1)C(=O)N

STK014939
Synonyms: 5-{(2E)-2-[4-(benzyloxy)benzylidene]hydrazinyl}-N-(4-bromophenyl)-5-oxopentanamide
Smiles: O=C(N/N=C/c1ccc(cc1)OCc1ccccc1)CCCC(=O)Nc1ccc(cc1)Br

STK014958
Synonyms: 2-(4-cyclohexylphenoxy)-N-(tricyclo[3.3.1.1~3,7~]dec-2-ylcarbamothioyl)acetamide
Smiles: O=C(NC(=S)NC1C2CC3CC1CC(C2)C3)COc1ccc(cc1)C1CCCCC1

STK014967
Synonyms: 1H-benzimidazol-1-yl(phenyl)methanone
Smiles: O=C(n1cnc2c1cccc2)c1ccccc1

STK014968
Synonyms: 2-acetyl-4-methyl-N-(4-methylphenyl)pentanamide
Smiles: CC(CC(C(=O)Nc1ccc(cc1)C)C(=O)C)C

STK014981
Synonyms: [4-(2-ethoxyphenyl)piperazin-1-yl][1-(4-ethylbenzyl)piperidin-4-yl]methanone
Smiles: CCOc1ccccc1N1CCN(CC1)C(=O)C1CCN(CC1)Cc1ccc(cc1)CC

STK015024
Synonyms: (2Z)-2-cyano-3-(2,3-dichlorophenyl)prop-2-enethioamide
Smiles: NC(=S)/C(=C\c1cccc(c1Cl)Cl)/C#N

STK015031
Synonyms: 2'-phenylspiro[1,3-dithiolane-2,1'-inden]-3'(2'H)-one
Smiles: O=C1c2ccccc2C2(C1c1ccccc1)SCCS2

STK015034
Synonyms: 4-({[(5-bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoicacid
Smiles: S=C(NC(=O)c1cccc2c1cccc2Br)Nc1ccc(c(c1)Cl)C(=O)O

STK015041
Synonyms: N,N-dicyclohexyl-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide
Smiles: O=C(N(C1CCCCC1)C1CCCCC1)CCN1C(=O)C2C(C1=O)C1CC2C=C1

STK015051
Synonyms: 4-bromo-2,1,3-benzothiadiazole
Smiles: Brc1cccc2c1nsn2

STK015065
Synonyms: 4-{(E)-[(2-methyl-4-nitrophenyl)imino]methyl}phenol
Smiles: Oc1ccc(cc1)/C=N/c1ccc(cc1C)[N+](=O)[O-]

STK015093
Synonyms: 2-amino-N-[(E)-amino(1,3-benzothiazol-2-ylamino)methylidene]benzamide
Smiles: N/C(=N\C(=O)c1ccccc1N)/Nc1nc2c(s1)cccc2

STK015145
Synonyms: N-[(2-hydroxyphenyl)carbamothioyl]-2-phenoxyacetamide
Smiles: O=C(NC(=S)Nc1ccccc1O)COc1ccccc1

STK015162
Synonyms: 3,4-dibromo-2-[(E)-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-6-ethoxyphenol
Smiles: CCOc1cc(Br)c(c(c1O)/C=N/c1cccc(c1)c1oc2c(n1)cc(c(c2)C)C)Br

STK015182
Synonyms: 2-[(4-methylpiperidin-1-yl)methyl]phenol
Smiles: CC1CCN(CC1)Cc1ccccc1O

STK015202
Synonyms: (5Z)-3-(4-ethoxyphenyl)-5-(2-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: C=CCc1ccc(c(c1)OC)OCCOc1ccccc1/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)OCC

STK015208
Synonyms: 2-[1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]-N-(4-methylphenyl)acetamide
Smiles: CSc1c(CC(=O)Nc2ccc(cc2)C)n(c2c1cccc2)C

STK015237
Synonyms: (2E)-3-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-1-(4-ethylphenyl)prop-2-en-1-one
Smiles: CCc1ccc(cc1)C(=O)/C=C/Nc1ccc(c(c1)C(F)(F)F)Cl

STK015259
Synonyms: (2Z)-2-[2-(4-bromophenyl)hydrazinylidene]-6-methyl-N-(pyridin-3-yl)-2H-chromene-3-carboxamide
Smiles: Cc1ccc2c(c1)cc(/c(=N/Nc1ccc(cc1)Br)/o2)C(=O)Nc1cccnc1

STK015272
Synonyms: N-(biphenyl-4-yl)-4-bromobenzamide
Smiles: Brc1ccc(cc1)C(=O)Nc1ccc(cc1)c1ccccc1

STK015296
Synonyms: amino[(2-ethoxy-2-oxoethyl)sulfanyl]methaniminium
Smiles: CCOC(=O)CSC(=[NH2+])N

STK015320
Synonyms: N-(3-bromophenyl)benzenesulfonamide
Smiles: Brc1cccc(c1)NS(=O)(=O)c1ccccc1

STK015335
Synonyms: 2-(4-chlorophenyl)-N-{2-[(2Z)-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-2-oxoethyl}acetamide(non-preferredname)
Smiles: CCN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccc(cc2)Cl)/c2c1cccc2

STK015356
Synonyms: 1-(2-fluorophenyl)-3-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]urea
Smiles: O=C(Nc1ccccc1F)Nc1nnc(s1)c1ccncc1

STK015364
Synonyms: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1

STK015386
Synonyms: 2-iodo-7-nitro-9H-fluorene
Smiles: Ic1ccc2c(c1)Cc1c2ccc(c1)[N+](=O)[O-]

STK015387
Synonyms: 5-ammonio-8-hydroxyquinolinium
Smiles: [NH3+]c1ccc(c2c1ccc[nH+]2)O

STK015395
Synonyms: 2-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2c([nH]1)n(C)c(=O)n(c2=O)C

STK015397
Synonyms: (3-chlorophenyl)[5-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Smiles: COc1ccc(cc1)C1=NN(C(C1)c1ccccc1O)C(=O)c1cccc(c1)Cl

STK015461
Synonyms: 1,3-dimethyl-6-(1-phenylethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Smiles: CC(N1CNc2c(C1)c(=O)n(c(=O)n2C)C)c1ccccc1

STK015472
Synonyms: 1-(2,6-dimethylpiperidin-1-yl)-3-phenoxypropan-2-yl4-nitrobenzoate
Smiles: CC1CCCC(N1CC(OC(=O)c1ccc(cc1)[N+](=O)[O-])COc1ccccc1)C

STK015475
Synonyms: 4-({3-[(2-methoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}amino)-4-oxobutanoicacid
Smiles: COc1ccccc1NC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCC2

STK015478
Synonyms: N-{[(2-methyl-4-oxo-3-phenoxy-4H-chromen-7-yl)oxy]acetyl}phenylalanine
Smiles: O=C(NC(C(=O)O)Cc1ccccc1)COc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C

STK015528
Synonyms: 2-amino-N-{2-[{4-bromo-2-[(2-chlorophenyl)carbonyl]phenyl}(methyl)amino]-2-oxoethyl}-2-phenylpropanamide
Smiles: Brc1ccc(c(c1)C(=O)c1ccccc1Cl)N(C(=O)CNC(=O)C(c1ccccc1)(N)C)C

STK015533
Synonyms: 4-(5-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(5-methylfuran-2-yl)methylidene]aniline
Smiles: Cc1ccc(o1)/C=N/c1ccc(cc1)c1sc2c(n1)cc(cc2)C

STK015561
Synonyms: 4-oxo-4-[(2-{[(2-oxopiperidin-3-yl)carbonyl]amino}ethyl)amino]butanoicacid
Smiles: O=C(CCC(=O)O)NCCNC(=O)C1CCCNC1=O

STK015567
Synonyms: 1H-benzimidazol-1-yl(3,5-dinitrophenyl)methanone
Smiles: [O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)n1cnc2c1cccc2

STK015575
Synonyms: N-hexadecanoylasparticacid
Smiles: CCCCCCCCCCCCCCCC(=O)NC(C(=O)O)CC(=O)O

STK015576
Synonyms: N'-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(2-bromo-4-nitrophenoxy)acetohydrazide
Smiles: O=C(COc1ccc(cc1Br)[N+](=O)[O-])N/N=C/c1cc2OCOc2cc1Br

STK015579
Synonyms: 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoicacid
Smiles: S=C(NC(=O)c1cccc(c1)Br)Nc1ccc(c(c1)C(=O)O)Cl

STK015580
Synonyms: methyl2,3-dimethoxy-6-[(phenylcarbonyl)amino]benzoate
Smiles: COC(=O)c1c(ccc(c1OC)OC)NC(=O)c1ccccc1

STK015605
Synonyms: 3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole
Smiles: CCCCCC1CCC(CC1)c1onc(n1)c1ccc(cc1)Cl

STK015612
Synonyms: 10-[3-(4-benzylpiperazin-1-yl)propyl]-10H-phenothiazine
Smiles: c1ccc(cc1)CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cccc2

STK015616
Synonyms: N-{[hydroxy(methyl)phosphoryl]methyl}-N-methylglycine
Smiles: CN(CP(=O)(O)C)CC(=O)O

STK015632
Synonyms: N-{(2Z)-6-bromo-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2H-chromen-2-ylidene}-1,3-thiazol-2-amine
Smiles: Cc1ccc(cc1)c1csc(n1)c1cc2cc(Br)ccc2o/c/1=N\c1nccs1

STK015642
Synonyms: 3,3'-{naphthalene-1,5-diylbis[nitrilo(E)methylylidene]}dibenzene-1,2-diol
Smiles: Oc1cccc(c1O)/C=N/c1cccc2c1cccc2/N=C/c1cccc(c1O)O

STK015653
Synonyms: 5-(4-butoxyphenyl)-3-[4'-propyl-1,1'-bi(cyclohexyl)-4-yl]-1,2,4-oxadiazole
Smiles: CCCCOc1ccc(cc1)c1onc(n1)C1CCC(CC1)C1CCC(CC1)CCC

STK015665
Synonyms: (5E)-5-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)benzylidene]-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCN1C(=S)S/C(=C/c2cc(Cl)c(c(c2)OC)OCc2cccc3c2cccc3)/C1=O

STK015672
Synonyms: 1-butyl-N-(4-chlorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCn1c(=O)c(C(=O)NCc2ccc(cc2)Cl)c(c2c1cccc2)O

STK015674
Synonyms: 3-[(1E)-1-(2-phenylhydrazinylidene)ethyl]-9H-carbazole
Smiles: C/C(=N\Nc1ccccc1)/c1ccc2c(c1)c1ccccc1[nH]2

STK015681
Synonyms: 2-methyl[1,3]oxazolo[4,5-c]quinolin-4(5H)-one
Smiles: Cc1nc2c(o1)c1ccccc1[nH]c2=O

STK015684
Synonyms: 2-[(2-fluorobenzyl)sulfanyl]-6-(thiophen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
Smiles: Fc1ccccc1CSc1sc2n(n1)cc(n2)c1cccs1

STK015691
Synonyms: N-{3-[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-isoindol-5-yl)oxy]phenyl}-2-(thiophen-2-yl)acetamide
Smiles: O=C(Cc1cccs1)Nc1cccc(c1)Oc1ccc2c(c1)C(=O)N(C2=O)c1ccccc1

STK015727
Synonyms: 2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylicacid
Smiles: OC(=O)C1CSC(N1)c1ccccc1C(=O)O

STK015774
Synonyms: [4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl](2-phenoxyethyl)cyanamide
Smiles: N#CN(c1nc(C)nc(n1)N(C)C)CCOc1ccccc1

STK015775
Synonyms: 5-(3-chloro-4-methylphenyl)-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
Smiles: COc1cc(ccc1NC(=O)c1ccc(o1)c1ccc(c(c1)Cl)C)[N+](=O)[O-]

STK015791
Synonyms: 4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentyl-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCCn1c(=O)c(C(=O)Nc2cccc(c2)C)c(c2c1cccc2)O

STK015855
Synonyms: N-{2-[5-(benzyloxy)-1H-indol-3-yl]ethyl}cyclopropanecarboxamide
Smiles: O=C(C1CC1)NCCc1c[nH]c2c1cc(OCc1ccccc1)cc2

STK015863
Synonyms: 1-[1-(diphenylmethyl)-1H-tetrazol-5-yl]-N-[3-(morpholin-4-yl)propyl]cyclohexanamine
Smiles: C1CCC(CC1)(NCCCN1CCOCC1)c1nnnn1C(c1ccccc1)c1ccccc1

STK015867
Synonyms: N-{2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3(4H)-yl}-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide
Smiles: Cc1ccc(c(c1)OCC(=O)Nn1c(COc2ccccc2C)nc2c(c1=O)cccc2)C(C)C

STK015868
Synonyms: (6Z)-6-{3-bromo-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxybenzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(cc(c1OCCOc1ccc(cc1)C1CCCCC1)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK015921
Synonyms: 6-bromo-2-phenyl-4H-3,1-benzoxazin-4-one
Smiles: Brc1ccc2c(c1)c(=O)oc(n2)c1ccccc1

STK015924
Synonyms: [(4Z)-4-{[(1E)-1-(2,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-yl]imino}-8-methyl-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl]acetonitrile
Smiles: N#CCN1C(=S)N/C(=N\C(C(C)(C)C)/C=C/c2ccc(cc2Cl)Cl)/C21CCC(CC2)C

STK015973
Synonyms: 3-(dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one
Smiles: CN(CCC(=O)c1ccc(cc1F)C)C

STK015983
Synonyms: 2-amino-4-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Smiles: CCOc1cccc(c1OCC(F)F)C1C(=C(N)Oc2c1c(=O)oc(c2)C)C#N

STK016004
Synonyms: 1-(2-fluorophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea
Smiles: O=C(Nc1ccccc1F)Nc1nnc(s1)COc1ccccc1

STK016031
Synonyms: 2-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylidene]aniline
Smiles: Clc1ccccc1/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl

STK016040
Synonyms: 4-{[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino}benzoicacid
Smiles: Oc1ccc(c(c1)O)c1csc(n1)Nc1ccc(cc1)C(=O)O

STK016053
Synonyms: N-(2-hydroxyethyl)-2-[1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetamide
Smiles: OCCNC(=O)Cc1c(SC)c2c(n1C)cccc2

STK016062
Synonyms: (6Z)-6-{3-bromo-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(cc(c1OCCOc1ccccc1OC)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK016068
Synonyms: N-(1,3-benzothiazol-2-yl)-3-methylbenzamide
Smiles: Cc1cccc(c1)C(=O)Nc1nc2c(s1)cccc2

STK016069
Synonyms: 2-(4-ethylphenoxy)-N-(6-methylpyridin-2-yl)acetamide
Smiles: CCc1ccc(cc1)OCC(=O)Nc1cccc(n1)C

STK016074
Synonyms: [(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl]aceticacid
Smiles: Cc1cn2c(n1)sc(n2)SCC(=O)O

STK016075
Synonyms: 4-amino-2-(thiophen-2-yl)-5H-chromeno[4,3-d]pyrimidin-5-one
Smiles: Nc1nc(nc2c1c(=O)oc1c2cccc1)c1cccs1

STK016094
Synonyms: 4-hydroxy-2-oxo-1-propyl-N-(2-sulfamoylphenyl)-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCn1c(=O)c(C(=O)Nc2ccccc2S(=O)(=O)N)c(c2c1cccc2)O

STK016128
Synonyms: 2-(naphthalen-1-yl)-N-[(E)-(3-nitrophenyl)methylidene]-1,3-benzoxazol-5-amine
Smiles: [O-][N+](=O)c1cccc(c1)/C=N/c1ccc2c(c1)nc(o2)c1cccc2c1cccc2

STK016145
Synonyms: 2-(1,3-benzothiazol-2-yl)-5,5-dipropyl-1,2,4-triazolidine-3-thione
Smiles: CCCC1(CCC)NC(=S)N(N1)c1nc2c(s1)cccc2

STK016146
Synonyms: 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide
Smiles: O=C(N/N=C(/c1cccc(c1)[N+](=O)[O-])\C)CSc1nc2c([nH]1)cccc2

STK016148
Synonyms: 2-(5-chloro-2-oxopyridin-1(2H)-yl)-1-{4-[(4-methylpiperidin-1-yl)carbonyl]piperidin-1-yl}-3-phenylpropane-1,3-dione
Smiles: CC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C(n1cc(Cl)ccc1=O)C(=O)c1ccccc1

STK016153
Synonyms: 4-nitro-N-(2,4,6-tribromophenyl)benzenesulfonamide
Smiles: Brc1cc(Br)cc(c1NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])Br

STK016166
Synonyms: (5E)-5-{2-[2-(4-cyclohexylphenoxy)ethoxy]benzylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2ccccc2OCCOc2ccc(cc2)C2CCCCC2)/C(=O)N1C

STK016215
Synonyms: 4,4'-pyrimidine-4,6-diylbis{N-[(E)-(2-nitrophenyl)methylidene]aniline}
Smiles: [O-][N+](=O)c1ccccc1/C=N/c1ccc(cc1)c1ncnc(c1)c1ccc(cc1)/N=C/c1ccccc1[N+](=O)[O-]

STK016264
Synonyms: 4-amino-2-(2,4-dichlorophenyl)-5H-chromeno[4,3-d]pyrimidin-5-one
Smiles: Clc1ccc(c(c1)Cl)c1nc(N)c2c(n1)c1ccccc1oc2=O

STK016266
Synonyms: 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]pyridine
Smiles: Fc1ccc(cc1)c1onc(n1)c1ccncc1

STK016274
Synonyms: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCSc1nc2c(n1CC(COc1ccc(cc1)Cl)O)c(=O)[nH]c(=O)n2C

STK016296
Synonyms: 3,9-bis[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]-2,4,8,10-tetraoxaspiro[5.5]undecane
Smiles: CC1CC(=CCC1C1OCC2(CO1)COC(OC2)C1CC=C(CC1C)CCC=C(C)C)CCC=C(C)C

STK016303
Synonyms: 4-[(E)-(2-chlorophenyl)diazenyl]-1-phenyl-1H-pyrazole-3,5-diamine
Smiles: Clc1ccccc1/N=N/c1c(N)nn(c1N)c1ccccc1

STK016360
Synonyms: 2-cyclopentyl-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)ethanamine
Smiles: N(CC1OCCc2c1cccc2)CCC1CCCC1

STK016380
Synonyms: (2Z)-6-bromo-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(phenylimino)-2H-chromene-3-carboxamide
Smiles: COc1ccc(cc1)c1csc(n1)NC(=O)c1cc2cc(Br)ccc2o/c/1=N\c1ccccc1

STK016389
Synonyms: 5-[2-(4-hydroxyphenyl)ethyl]-1,3,5-triazinane-2-thione
Smiles: S=C1NCN(CN1)CCc1ccc(cc1)O

STK016391
Synonyms: 3-bromo-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
Smiles: COc1cccc(c1)c1oc2c(n1)cc(cc2)NC(=O)c1cccc(c1)Br

STK016403
Synonyms: 4-amino-2-{4-[(7-methyloctyl)oxy]phenyl}-4-oxobutanoicacid
Smiles: CC(CCCCCCOc1ccc(cc1)C(C(=O)O)CC(=O)N)C

STK016419
Synonyms: 1-ethyl-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCn1c(=O)c(C(=O)Nc2cccc(c2)C)c(c2c1cccc2)O

STK016425
Synonyms: 5-[(E)-{[4-(2,3-dihydro-1H-indol-1-ylsulfonyl)phenyl]imino}methyl]-2-methoxyphenol
Smiles: COc1ccc(cc1O)/C=N/c1ccc(cc1)S(=O)(=O)N1CCc2c1cccc2

STK016426
Synonyms: diethyl4-{[(4-tert-butylphenyl)carbonyl]amino}-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate
Smiles: CCOC(=O)C1=C(CC(=C1C)C(=O)OCC)NC(=O)c1ccc(cc1)C(C)(C)C

STK016434
Synonyms: 1,1'-octa-1,3,5,7-tetrayne-1,8-diylbis(4-tert-butylbenzene)
Smiles: CC(c1ccc(cc1)C#CC#CC#CC#Cc1ccc(cc1)C(C)(C)C)(C)C

STK016438
Synonyms: N-(4-chlorophenyl)-2-[(2E)-2-[(4-fluorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetamide
Smiles: C=CCN1/C(=N\c2ccc(cc2)F)/SC(C1=O)CC(=O)Nc1ccc(cc1)Cl

STK016443
Synonyms: 5-phenylfuran-2-carbohydrazide
Smiles: NNC(=O)c1ccc(o1)c1ccccc1

STK016444
Synonyms: N-[7-(phenylcarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]glycinamide
Smiles: NCC(=O)Nc1cc2OCCOc2cc1C(=O)c1ccccc1

STK016454
Synonyms: (5E)-5-{5-bromo-2-[2-(4-cyclohexylphenoxy)ethoxy]benzylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: Brc1ccc(c(c1)/C=C\1/SC(=S)N(C1=O)C)OCCOc1ccc(cc1)C1CCCCC1

STK016464
Synonyms: N-(3,5-dibromopyridin-2-yl)cyclopropanecarboxamide
Smiles: O=C(C1CC1)Nc1ncc(cc1Br)Br

STK016470
Synonyms: N-[3-chloro-4-(morpholin-4-yl)phenyl]-4-(heptyloxy)benzamide
Smiles: CCCCCCCOc1ccc(cc1)C(=O)Nc1ccc(c(c1)Cl)N1CCOCC1

STK016484
Synonyms: 1-(2,3-dimethoxybenzyl)-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1cccc(c1OC)OC)C

STK016501
Synonyms: [(dimethylamino)oxy][(4-nitrophenyl)amino]methanone
Smiles: CN(OC(=O)Nc1ccc(cc1)[N+](=O)[O-])C

STK016514
Synonyms: 2-(5-chloro-2-oxopyridin-1(2H)-yl)-3-oxo-3-phenyl-N-propylpropanamide
Smiles: CCCNC(=O)C(n1cc(Cl)ccc1=O)C(=O)c1ccccc1

STK016528
Synonyms: 4-{[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino}-N-(4-phenyl-4,9-dihydro-3H-pyrimido[4,5-b]indol-2-yl)benzenesulfonamide
Smiles: Clc1cc(/C=N/c2ccc(cc2)S(=O)(=O)NC2=Nc3[nH]c4c(c3C(N2)c2ccccc2)cccc4)c(c(c1)Cl)O

STK016531
Synonyms: N-{2,4-dinitro-5-[(2-{[(E)-(2-nitrophenyl)methylidene]amino}phenyl)amino]phenyl}-N'-[(E)-phenylmethylidene]benzene-1,2-diamine
Smiles: [O-][N+](=O)c1cc([N+](=O)[O-])c(cc1Nc1ccccc1/N=C/c1ccccc1)Nc1ccccc1/N=C/c1ccccc1[N+](=O)[O-]

STK016532
Synonyms: potassium4-[(E)-pyrrolidin-1-yldiazenyl]benzoate
Smiles: [O-]C(=O)c1ccc(cc1)/N=N/N1CCCC1.[K+]

STK016534
Synonyms: 2-(4-bromophenyl)-N'-(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)acetohydrazide
Smiles: O=C(Cc1ccc(cc1)Br)NN=C1C(=O)NC(=O)NC1=O

STK016535
Synonyms: 7-(2-chloro-6-fluorobenzyl)-8-(furan-2-ylmethoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1cccc(c1Cn1c(OCc2ccco2)nc2c1c(=O)n(c(=O)n2C)C)Cl

STK016555
Synonyms: N-[(2-chlorophenyl)sulfonyl]-3,5,5-trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide
Smiles: CC1=NN(C(C1)(C)C)C(=O)NS(=O)(=O)c1ccccc1Cl

STK016562
Synonyms: 2,6-diethyl-5-phenylpyrimidin-4(3H)-one
Smiles: CCc1nc(CC)[nH]c(=O)c1c1ccccc1

STK016566
Synonyms: 5-bromo-3,3-dimethyl-9-(2-methylprop-2-en-1-yl)-1,2,3,4-tetrahydro-1,4-(epiminomethano)naphthalene
Smiles: CC(=C)CC1NC2CC(C1c1c2cccc1Br)(C)C

STK016567
Synonyms: 5-ethyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
Smiles: COc1cc(cc(c1OC)OC)c1noc(n1)CC

STK016600
Synonyms: 4-nitro-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
Smiles: CCC(=O)c1cc2OCCOc2cc1NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK016606
Synonyms: methyl(4-{(E)-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
Smiles: CCOC(=O)CN1C(=O)S/C(=C/c2ccc(cc2)OCC(=O)OC)/C1=O

STK016609
Synonyms: N-(2-{(2Z)-2-[1-(1,3-benzodioxol-5-ylmethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]hydrazinyl}-2-oxoethyl)-3-bromobenzamide(non-preferredname)
Smiles: O=C(N/N=C\1/c2ccccc2N(C1=O)Cc1ccc2c(c1)OCO2)CNC(=O)c1cccc(c1)Br

STK016631
Synonyms: 3-(4-bromophenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole
Smiles: CCCC1CCC(CC1)c1ccc(cc1)c1onc(n1)c1ccc(cc1)Br

STK016636
Synonyms: N'-{(E)-[2-(2-bromoethoxy)phenyl]methylidene}pyridine-4-carbohydrazide
Smiles: BrCCOc1ccccc1/C=N/NC(=O)c1ccncc1

STK016651
Synonyms: 1-methylpiperidin-3-yl3,4-dimethoxybenzoate
Smiles: COc1cc(ccc1OC)C(=O)OC1CCCN(C1)C

STK016690
Synonyms: 3-(imidazo[2,1-b][1,3]thiazol-6-yl)-2-methyl-1H-indolehydrochloride
Smiles: Cc1[nH]c2c(c1c1cn3c(n1)scc3)cccc2.Cl

STK016694
Synonyms: (2E)-3-[4-(1H-2lambda~4~,1,3-benzothiadiazol-2-ylmethyl)-3-methoxyphenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
Smiles: COc1cc(/C=C/C(=O)c2ccc(cc2)O)ccc1CS1=Nc2c(N1)cccc2

STK016697
Synonyms: 4-hydroxy-1-(3-methylbutyl)-N-(6-methylpyridin-2-yl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CC(CCn1c(=O)c(C(=O)Nc2cccc(n2)C)c(c2c1cccc2)O)C

STK016721
Synonyms: 1-[3-(5-methylfuran-2-yl)butyl]piperidin-3-ol
Smiles: OC1CCCN(C1)CCC(c1ccc(o1)C)C

STK016725
Synonyms: (4-butoxyphenyl)(morpholin-4-yl)methanone
Smiles: CCCCOc1ccc(cc1)C(=O)N1CCOCC1

STK016749
Synonyms: N'-(2-amino-2-oxoethyl)-N,N-diphenylbutanediamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CCC(=O)NCC(=O)N

STK016755
Synonyms: 2-{2-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]-1,3-thiazol-5-yl}-3H-benzo[f]chromen-3-one
Smiles: Clc1ccccc1/C=N/Nc1ncc(s1)c1cc2c(oc1=O)ccc1c2cccc1

STK016775
Synonyms: N-(3-ethoxypropyl)-1-[(2E)-3-phenylprop-2-en-1-yl]piperidine-4-carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)C/C=C/c1ccccc1

STK016783
Synonyms: N''-{(E)-[2-(prop-2-en-1-yloxy)phenyl]methylidene}carbonohydrazonicdiamide
Smiles: C=CCOc1ccccc1/C=N/N=C(N)N

STK016795
Synonyms: 1-(4-fluorophenyl)-3-(2-methyl-5-nitrophenyl)thiourea
Smiles: S=C(Nc1cc(ccc1C)[N+](=O)[O-])Nc1ccc(cc1)F

STK016802
Synonyms: 3-(acetylamino)phenyl4-butoxybenzoate
Smiles: CCCCOc1ccc(cc1)C(=O)Oc1cccc(c1)NC(=O)C

STK016807
Synonyms: 6-amino-3-ethyl-4-(thiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cscc1)c(CC)[nH]n2

STK016816
Synonyms: N-(3-chlorophenyl)-4-methyl-N-[(4-methyl-3-nitrophenyl)sulfonyl]-3-nitrobenzenesulfonamide
Smiles: Clc1cccc(c1)N(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C

STK016823
Synonyms: 2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
Smiles: COc1cccc(c1)c1onc(n1)c1ccccn1

STK016848
Synonyms: N-(3-ethoxypropyl)-1-(2-phenylpropyl)piperidine-4-carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)CC(c1ccccc1)C

STK016849
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-ethoxybenzyl)-N-methylpiperidine-4-carboxamide
Smiles: CCOc1ccccc1CN1CCC(CC1)C(=O)N(CCc1ccc(c(c1)OC)OC)C

STK016872
Synonyms: 4-[(2E)-2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl]benzoicacid
Smiles: Cc1ccc(cc1)c1csc(n1)N1N=C(/C(=N\Nc2ccc(cc2)C(=O)O)/C1=O)C

STK016876
Synonyms: N-(2,4-dichlorophenyl)-4-oxo-4-[2-(trifluoroacetyl)hydrazinyl]butanamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CCC(=O)NNC(=O)C(F)(F)F

STK016908
Synonyms: 2-(4-chlorophenyl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Smiles: Clc1ccc(cc1)C1N=C(O)c2c(N1)sc1c2CCCC1

STK016944
Synonyms: 2-{4-amino-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-1,3,5-triazin-2-yl}phenol
Smiles: Nc1nc(/C=C/c2ccc(cc2)O)nc(n1)c1ccccc1O

STK016946
Synonyms: 1-(1H-1,2,4-triazol-1-yl)ethylacetate
Smiles: CC(n1cncn1)OC(=O)C

STK016957
Synonyms: 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
Smiles: Cc1cc(C)n2c(n1)cc(n2)C

STK016998
Synonyms: 1-(4-butylcyclohexyl)-4-[(E)-2-phenylethenyl]benzene
Smiles: CCCCC1CCC(CC1)c1ccc(cc1)/C=C/c1ccccc1

STK017038
Synonyms: [(5-chloro-1H-benzimidazol-2-yl)sulfanyl]aceticacid
Smiles: OC(=O)CSc1nc2c([nH]1)ccc(c2)Cl

STK017054
Synonyms: 2,2,9a-trimethyl-5-(morpholin-4-yl)-1,4,9,9a,10,11-hexahydro-2H-pyrrolo[1,2-a]thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e]pyrimidine-8,12-dione
Smiles: O=C1CCC2(N1c1c(sc3c1c1CC(C)(C)SCc1c(n3)N1CCOCC1)C(=O)N2)C

STK017062
Synonyms: 1,1'-(2Z)-but-2-ene-1,4-diyldipiperidinedihydrochloride
Smiles: C1CCN(CC1)C/C=C\CN1CCCCC1.Cl.Cl

STK017080
Synonyms: ethyl(2E)-3-[1-(2-chlorobenzyl)-2-methyl-1H-indol-3-yl]-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C/c1c(C)n(c2c1cccc2)Cc1ccccc1Cl)/C#N

STK017087
Synonyms: N-(4-chloro-2-nitrophenyl)-4-fluorobenzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1ccc(cc1[N+](=O)[O-])Cl

STK017114
Synonyms: N'-[(E)-(4-chloro-3-nitrophenyl)methylidene]-2-{[1-(4-methylbenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nc2c(n1Cc1ccc(cc1)C)cccc2)N/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl

STK017128
Synonyms: 2-methyl-3-(propan-2-yl)-1H-indole
Smiles: CC(c1c(C)[nH]c2c1cccc2)C

STK017137
Synonyms: (2Z)-4-(benzylamino)-2,3-dimethyl-4-oxobut-2-enoicacid
Smiles: O=C(/C(=C(\C(=O)O)/C)/C)NCc1ccccc1

STK017149
Synonyms: 1-(prop-2-en-1-yloxy)octane
Smiles: CCCCCCCCOCC=C

STK017171
Synonyms: 4-{[(E)-(2-ethoxyphenyl)methylidene]amino}benzamide
Smiles: CCOc1ccccc1/C=N/c1ccc(cc1)C(=O)N

STK017174
Synonyms: (2Z)-7-hydroxy-2-[(4-methylphenyl)imino]-N-(4-phenyl-1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
Smiles: Oc1ccc2c(c1)o/c(=N\c1ccc(cc1)C)/c(c2)C(=O)Nc1scc(n1)c1ccccc1

STK017188
Synonyms: phenyl(2E)-2-{3-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]-5-methoxybenzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: COc1cc(cc(c1OCCOc1ccc(cc1)C(C)(C)C)Br)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)Oc1ccccc1)C

STK017191
Synonyms: 4-chloro-N',N'-diphenylbenzenesulfonohydrazide
Smiles: Clc1ccc(cc1)S(=O)(=O)NN(c1ccccc1)c1ccccc1

STK017227
Synonyms: 2-(4-butoxyphenyl)-5-(4'-methoxybiphenyl-4-yl)-1,3,4-oxadiazole
Smiles: CCCCOc1ccc(cc1)c1nnc(o1)c1ccc(cc1)c1ccc(cc1)OC

STK017253
Synonyms: 1-[11-(4-tert-butylphenyl)-1-hydroxy-3-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3ccccc3N(C2c2ccc(cc2)C(C)(C)C)C(=O)C)C1)O

STK017262
Synonyms: 2,4-dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoicacid
Smiles: COc1ccccc1NS(=O)(=O)c1cc(C(=O)O)c(cc1Cl)Cl

STK017278
Synonyms: N-{(4-bromophenyl)[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-5-chloropyridin-2-amine
Smiles: CCOc1ccc2c(c1)sc(n2)SC(c1ccc(cc1)Br)Nc1ccc(cn1)Cl

STK017290
Synonyms: 2-chloro-5-({[(2,4-dichlorophenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: S=C(NC(=O)c1ccc(cc1Cl)Cl)Nc1ccc(c(c1)C(=O)O)Cl

STK017313
Synonyms: [1-(2,4-dimethoxybenzyl)piperidin-4-yl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Smiles: COc1cc(OC)ccc1CN1CCC(CC1)C(=O)N1CCN(CC1)c1ccccc1F

STK017320
Synonyms: N-(2,3-dimethylphenyl)-1,3-dioxo-2-[4-(phenylcarbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
Smiles: O=C(c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)C(=O)c1ccccc1)Nc1cccc(c1C)C

STK017325
Synonyms: N,N-diethyl-N'-(2-nitrophenyl)butanediamide
Smiles: CCN(C(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-])CC

STK017329
Synonyms: N-{[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl}-2-methyl-3-nitrobenzamide
Smiles: COc1cc(ccc1OC)c1csc(n1)NC(=S)NC(=O)c1cccc(c1C)[N+](=O)[O-]

STK017335
Synonyms: 4,10-dibromonaphtho[7,8,1,2,3-nopqr]tetraphene-6,12-dione
Smiles: Brc1cc2c3c4c1cccc4c(=O)c1c3c3c(c2=O)cccc3c(c1)Br

STK017344
Synonyms: 6,8-dichloro-2,3-dihydroquinolin-4(1H)-one
Smiles: Clc1cc(Cl)c2c(c1)C(=O)CCN2

STK017366
Synonyms: 3-(2-chloro-6-fluorobenzyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
Smiles: Cc1ccccc1c1onc(n1)Cc1c(F)cccc1Cl

STK017369
Synonyms: 2-{1-[(1-methyl-1H-benzimidazol-2-yl)amino]ethyl}phenol
Smiles: Oc1ccccc1C(Nc1nc2c(n1C)cccc2)C

STK017383
Synonyms: N-benzyl-4-ethoxy-N-(propan-2-yl)benzamide
Smiles: CCOc1ccc(cc1)C(=O)N(C(C)C)Cc1ccccc1

STK017386
Synonyms: 1-(2-{1-[(1E)-1-(2,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-yl]-1H-tetrazol-5-yl}propan-2-yl)azetidin-2-one
Smiles: Clc1ccc(c(c1)Cl)/C=C/C(C(C)(C)C)n1nnnc1C(N1CCC1=O)(C)C

STK017390
Synonyms: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl4-methylbenzenesulfonate
Smiles: Cc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)C(=CC(N2)(C)C)C

STK017399
Synonyms: 2-{3-[(Z)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-1H-indol-1-yl}-N-phenylacetamide
Smiles: N#CC1=C(C)/C(=C/c2cn(c3c2cccc3)CC(=O)Nc2ccccc2)/c2c1nc(N)c(c2C)C#N

STK017409
Synonyms: (5E)-5-[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: C#CCOc1c(Br)cc(cc1OC)/C=C/1\C(=O)NC(=S)N(C1=O)C

STK017413
Synonyms: 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl6-{[(4-methylphenyl)sulfonyl]amino}hexanoate
Smiles: O=C(Oc1ccc2c(c1)oc(=O)c1c2CCC1)CCCCCNS(=O)(=O)c1ccc(cc1)C

STK017434
Synonyms: 3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
Smiles: O=C(c1ccc(c(c1)Cl)Cl)Nc1scc(n1)c1ccccc1

STK017447
Synonyms: dimethyl2-{[(phenylsulfanyl)acetyl]amino}benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=O)CSc1ccccc1)C(=O)OC

STK017481
Synonyms: (3E)-3-{2-[(2-amino-1,3-thiazol-4-yl)acetyl]hydrazinylidene}-N-(4-methoxy-2-nitrophenyl)butanamide
Smiles: COc1ccc(c(c1)[N+](=O)[O-])NC(=O)C/C(=N/NC(=O)Cc1csc(n1)N)/C

STK017485
Synonyms: 5-methyl-2-[4-(naphthalen-2-yl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)C1)c1scc(n1)c1ccc2c(c1)cccc2

STK017486
Synonyms: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-dimethylacetamide
Smiles: N#Cc1c(SCC(=O)N(C)C)nc(c2c1CCCC2)C

STK017491
Synonyms: (2,6-dichlorophenyl)(2-methyl-2,3-dihydro-1H-indol-1-yl)methanone
Smiles: CC1Cc2c(N1C(=O)c1c(Cl)cccc1Cl)cccc2

STK017507
Synonyms: (2E)-3-[1-(4-chlorobenzyl)-2-methyl-1H-indol-3-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1c(C)n(c2c1cccc2)Cc1ccc(cc1)Cl)/C(=O)NCc1ccco1

STK017516
Synonyms: 1-azabicyclo[2.2.2]oct-3-yl2-bromobenzoate
Smiles: O=C(c1ccccc1Br)OC1CN2CCC1CC2

STK017533
Synonyms: (6Z)-6-{[5-(3,5-dichlorophenyl)furan-2-yl]methylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1cc(Cl)cc(c1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK017570
Synonyms: N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
Smiles: Cc1cc(C)c2c(c1)nc(o2)c1cccc(c1)NC(=O)c1ccc(o1)c1ccc(cc1C)[N+](=O)[O-]

STK017576
Synonyms: (6Z)-6-{4-[2-(4-bromophenoxy)ethoxy]-3-chloro-5-ethoxybenzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(cc(c1OCCOc1ccc(cc1)Br)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK017593
Synonyms: methyl(2E)-4-oxo-4-(1,3-thiazol-2-ylamino)but-2-enoate
Smiles: COC(=O)/C=C/C(=O)Nc1nccs1

STK017605
Synonyms: (2Z)-2-[(4-methoxyphenyl)imino]-N-(3-methylphenyl)-2H-chromene-3-carboxamide
Smiles: COc1ccc(cc1)/N=c/1\oc2ccccc2cc1C(=O)Nc1cccc(c1)C

STK017613
Synonyms: (2E)-N-benzyl-2-cyano-3-{4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}prop-2-enamide
Smiles: N#C/C(=C\c1ccc(cc1)OCCOc1ccc(c(c1)C)C)/C(=O)NCc1ccccc1

STK017624
Synonyms: 1-(2-{[(2,4-dichlorophenoxy)acetyl]amino}ethyl)-1-dodecylpiperidinium
Smiles: CCCCCCCCCCCC[N+]1(CCCCC1)CCNC(=O)COc1ccc(cc1Cl)Cl

STK017625
Synonyms: 4-[(E)-{[4-chloro-2-(phenylcarbonyl)phenyl]imino}methyl]benzonitrile
Smiles: N#Cc1ccc(cc1)/C=N/c1ccc(cc1C(=O)c1ccccc1)Cl

STK017633
Synonyms: 1-(1H-indol-3-yl)-2-phenylethanone
Smiles: O=C(c1c[nH]c2c1cccc2)Cc1ccccc1

STK017657
Synonyms: N~3~-(2-methylphenyl)-N~2~-(propan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2,3-dicarboxamide
Smiles: CC(NC(=O)c1sc2c(c1C(=O)Nc1ccccc1C)CCC2)C

STK017698
Synonyms: 3-(4-chlorophenyl)-3-[5-methyl-2-(propan-2-yl)phenoxy]-2-benzofuran-1(3H)-one
Smiles: Clc1ccc(cc1)C1(OC(=O)c2c1cccc2)Oc1cc(C)ccc1C(C)C

STK017702
Synonyms: 4-(4-chlorophenyl)-2-{(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl}-1,3-thiazole
Smiles: Clc1ccc(cc1)c1csc(n1)N/N=C(/c1ccc(o1)C)\C

STK017727
Synonyms: 5-[4-(piperidin-1-yl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)NC(=O)C1=Cc1ccc(cc1)N1CCCCC1

STK017747
Synonyms: 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(pyridin-2-yl)quinazolin-4(3H)-one
Smiles: Oc1ccccc1/C=C/c1nc2ccccc2c(=O)n1c1ccccn1

STK017748
Synonyms: methyl4-(1H-indol-3-yl)-4-oxobutanoate
Smiles: COC(=O)CCC(=O)c1c[nH]c2c1cccc2

STK017756
Synonyms: N-{[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]carbamothioyl}-2,2-diphenylacetamide
Smiles: S=C(NC(=O)C(c1ccccc1)c1ccccc1)Nc1scc(n1)c1cccc2c1cccc2

STK017786
Synonyms: N-[2-(dimethylamino)ethyl]-1-(4-ethylbenzyl)piperidine-4-carboxamide
Smiles: CCc1ccc(cc1)CN1CCC(CC1)C(=O)NCCN(C)C

STK017853
Synonyms: (2Z)-7-(diethylamino)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(phenylimino)-2H-chromene-3-carboxamide
Smiles: COc1ccc(cc1)c1csc(n1)NC(=O)c1cc2ccc(cc2o/c/1=N\c1ccccc1)N(CC)CC

STK017855
Synonyms: (2Z,5Z)-5-{4-[(4-chlorobenzyl)oxy]-3-methoxybenzylidene}-2-[(4-methylphenyl)imino]-3-propyl-1,3-thiazolidin-4-one
Smiles: CCCN1/C(=N/c2ccc(cc2)C)/S/C(=C\c2ccc(c(c2)OC)OCc2ccc(cc2)Cl)/C1=O

STK017873
Synonyms: 1-(pyridin-3-ylcarbonyl)proline
Smiles: OC(=O)C1CCCN1C(=O)c1cccnc1

STK017874
Synonyms: ethyl{3-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-1H-indol-1-yl}acetate
Smiles: CCOC(=O)Cn1cc(c2c1cccc2)/C=C\1/NC(=O)NC1=O

STK017912
Synonyms: 2-[2-(dimethylamino)ethyl]-3-phenylquinazolin-4(3H)-one
Smiles: CN(CCc1nc2ccccc2c(=O)n1c1ccccc1)C

STK017918
Synonyms: ethyl(3S,4R)-3-phenylpiperidine-4-carboxylate
Smiles: CCOC(=O)[C@@H]1CCNC[C@@H]1c1ccccc1

STK017928
Synonyms: 2-oxo-2H-chromene-3-carboximidamide
Smiles: NC(=N)c1cc2ccccc2oc1=O

STK017992
Synonyms: 1-(2-ethoxybenzyl)-N-(6-hydroxy-6-methylheptan-2-yl)piperidine-4-carboxamide
Smiles: CCOc1ccccc1CN1CCC(CC1)C(=O)NC(CCCC(O)(C)C)C

STK018025
Synonyms: (4-methoxyphenyl)(3-methylpiperidin-1-yl)methanone
Smiles: COc1ccc(cc1)C(=O)N1CCCC(C1)C

STK018035
Synonyms: [(prop-2-en-1-ylamino)methyl]phosphonicacid
Smiles: C=CCNCP(=O)(O)O

STK018036
Synonyms: N-(2-acetyl-5-tert-butylphenyl)propanamide
Smiles: CCC(=O)Nc1cc(ccc1C(=O)C)C(C)(C)C

STK018047
Synonyms: 1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxopyridin-1(2H)-yl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
Smiles: COCCCNC(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F

STK018053
Synonyms: 4-[(E)-(4-chlorophenyl)diazenyl]-2-[(E)-{[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol
Smiles: Clc1ccc(cc1)/N=N/c1ccc(c(c1)/C=N/c1ccc2c(c1)nc(o2)c1ccc(c(c1)Cl)Cl)O

STK018081
Synonyms: 4-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(pyridin-4-yl)quinoline
Smiles: Fc1cccc(c1c1noc(n1)c1cc(nc2c1cccc2)c1ccncc1)F

STK018092
Synonyms: (2E)-2-{[1-(2-methylbenzyl)-1H-indol-3-yl]methylidene}hydrazinecarboxamide
Smiles: NC(=O)N/N=C/c1cn(c2c1cccc2)Cc1ccccc1C

STK018122
Synonyms: 4-oxo-N-(4-phenoxyphenyl)-4-[2-(pyridin-2-ylcarbonyl)hydrazinyl]butanamide
Smiles: O=C(NNC(=O)c1ccccn1)CCC(=O)Nc1ccc(cc1)Oc1ccccc1

STK018124
Synonyms: 2-{4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy}acetamide
Smiles: COc1cc(ccc1OCC(=O)N)/C=C/1\NC(=O)NC1=O

STK018143
Synonyms: methyl4-(2-amino-1,3-dicyano-7-methoxydibenzo[b,d]furan-4-yl)benzoate
Smiles: COc1ccc2c(c1)oc1c2c(C#N)c(c(c1c1ccc(cc1)C(=O)OC)C#N)N

STK018157
Synonyms: 1,2-di(biphenyl-4-yl)ethane-1,2-diol
Smiles: OC(C(c1ccc(cc1)c1ccccc1)O)c1ccc(cc1)c1ccccc1