FULL DB

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

STK548984
Synonyms: 4-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]-2-(2-fluorophenyl)quinazoline
Smiles: Clc1ccccc1/C=N/Nc1nc(nc2c1cccc2)c1ccccc1F

STK548985
Synonyms: N-(2-chlorophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: CC1CCCN(C1)c1cc(Nc2ccccc2Cl)c(c2c1non2)[N+](=O)[O-]

STK548987
Synonyms: 2-(4-nitrophenyl)-2-oxoethyl(diethoxyphosphoryl)acetate
Smiles: CCOP(=O)(CC(=O)OCC(=O)c1ccc(cc1)[N+](=O)[O-])OCC

STK548988
Synonyms: 2-ethyl-8,8-dimethyl-4-(2-methylpropoxy)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCc1nc(OCC(C)C)c2c(n1)c1cc3COC(Cc3nc1s2)(C)C

STK548989
Synonyms: 2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N-phenylacetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK548991
Synonyms: N-(4-acetylphenyl)-2-{[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3SCC(=O)Nc1ccc(cc1)C(=O)C)C

STK548993
Synonyms: N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: CC1CCCN(C1)c1cc(Nc2ccc(cc2)I)c(c2c1non2)[N+](=O)[O-]

STK548994
Synonyms: 11-(4-tert-butylphenyl)-N-(3-chloro-4-methylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1nn(c2c1C(c1ccc(cc1)C(C)(C)C)n1c(=N2)c(Nc2ccc(c(c2)Cl)C)nc2c1cccc2)c1ccccc1

STK548995
Synonyms: (8R,8aS,11aR)-N-(4-chlorophenyl)-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-carboxamide
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)Nc2ccc(cc2)Cl)N=Cc2c1cccc2

STK548997
Synonyms: 3-(4-ethylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine
Smiles: CCc1ccc(cc1)C1=NN=C2C(CC1)CCCC2

STK548998
Synonyms: N-(4-methylphenyl)-2-{[2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: CSc1nc(SCC(=O)Nc2ccc(cc2)C)c2c(n1)sc1c2CCCC1

STK548999
Synonyms: 2-(hexylsulfanyl)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCC3

STK549001
Synonyms: 2-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK549002
Synonyms: N-(4-bromophenyl)-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)Br)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK549003
Synonyms: 2-[(Z)-benzylidene(oxido)-lambda~5~-azanyl]-1-(furan-2-yl)propan-1-one
Smiles: [O-]/[N+](=C\c1ccccc1)/C(C(=O)c1ccco1)C

STK549005
Synonyms: 2-chloro-N'-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]benzohydrazide
Smiles: CSc1nc(NNC(=O)c2ccccc2Cl)c2c(n1)sc1c2CC(OC1)(C)C

STK549006
Synonyms: 5-(4-methoxyphenyl)-3-(3-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK549007
Synonyms: 2-{(2Z)-2-[3,5-bis(4-methylphenyl)cyclohex-2-en-1-ylidene]hydrazinyl}-6-methyl-4-phenylquinazoline
Smiles: Cc1ccc(cc1)C1C/C(=N/Nc2nc3ccc(cc3c(n2)c2ccccc2)C)/C=C(C1)c1ccc(cc1)C

STK549010
Synonyms: 1-phenyl-1H-tetrazol-5-yl(1E)-N-(3-chlorophenyl)-2-oxopropanehydrazonothioate
Smiles: Clc1cccc(c1)N/N=C(\C(=O)C)/Sc1nnnn1c1ccccc1

STK549011
Synonyms: 2-(2,3-dimethylphenoxy)-N'-[(3Z)-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide
Smiles: O=C(COc1cccc(c1C)C)N/N=C/1\C(=O)N(c2c1cccc2)CN1CCCCC1c1cccnc1

STK549012
Synonyms: ethyl3-{[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)propanoyl]amino}-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC3(CC1)OCCO3)cc(cc2)OC

STK549013
Synonyms: 3-[(2-chlorobenzyl)sulfanyl]-10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccccc1Cl)nn2)CC(OC3)(C)C

STK549014
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(1,3-benzodioxol-5-yl)ethylidene]-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: C/C(=N\NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N)/c1ccc2c(c1)OCO2

STK549015
Synonyms: 3-[5-(4-chloro-3-ethylphenoxy)pentyl]-2-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: CCc1cc(OCCCCCn2c(nc3c(c2=O)cccc3)c2ccc(cc2)Cl)ccc1Cl

STK549017
Synonyms: 5-(2-methoxyphenyl)-2-phenyl-3-propyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCC1N(OC2C1C(=O)N(C2=O)c1ccccc1OC)c1ccccc1

STK549019
Synonyms: 3-(3-chlorophenyl)-1-(2,4-dichlorobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Smiles: Clc1ccc(c(c1)Cl)Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CCCC3

STK549020
Synonyms: 2-chloro-10-[3-chloro-2,5-difluoro-6-(morpholin-4-yl)pyridin-4-yl]-10H-phenothiazine
Smiles: Clc1ccc2c(c1)N(c1c(F)c(nc(c1Cl)F)N1CCOCC1)c1c(S2)cccc1

STK549021
Synonyms: 3-(2-methylpropyl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCC3

STK549022
Synonyms: 2-[4-(2-chlorobenzyl)piperazin-1-yl]-N'-[(Z)-(2-fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1Cl)N/N=C\c1ccccc1F

STK549023
Synonyms: 2-(4-ethylpiperazin-1-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
Smiles: CCN1CCN(CC1)CC(=O)c1c(C)[nH]c2c1cc(OC)cc2

STK549024
Synonyms: (5Z)-5-({1-[3-(2,3-dimethylphenoxy)propyl]-1H-indol-3-yl}methylidene)-1-(4-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Fc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2cccc(c2C)C)/C1=O

STK549025
Synonyms: ethyl7-{[(2,6-dimethylmorpholin-4-yl)acetyl]amino}-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CC(C)OC(C1)C)cc1c(c2)OCO1

STK549026
Synonyms: 2-{4-[(3-chlorophenyl)amino]quinazolin-2-yl}-6-methoxyphenol
Smiles: COc1cccc(c1O)c1nc(Nc2cccc(c2)Cl)c2c(n1)cccc2

STK549028
Synonyms: [5-(4-bromophenyl)-3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl](2-chlorophenyl)methanone
Smiles: Brc1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1Cl)c1c(C)nc2c(c1c1ccccc1)cc(cc2)Cl

STK549029
Synonyms: ethyl4-(8-chloro-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O

STK549030
Synonyms: 2-{5-[(Z)-(1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxybenzyl}-1H-isoindole-1,3(2H)-dione
Smiles: CCCCCCN1C(=S)NC(=O)/C(=C/c2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)/C1=O

STK549031
Synonyms: N-cyclohexyl-2-imino-1-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: O=C(c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1)NC1CCCCC1

STK549032
Synonyms: 2-(hexylsulfanyl)-3-(2-phenylethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK549033
Synonyms: 3-[(4-bromobenzyl)sulfanyl]-10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)Br)nn2)CC(OC3)(C)C

STK549034
Synonyms: N-{1-(4-butylphenyl)-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-2-yl}-4-chlorobenzenesulfonamide
Smiles: CCCCc1ccc(cc1)n1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc(cc1)Cl)S(=O)(=O)c1ccc(cc1)C

STK549036
Synonyms: 3,7-bis[(2,4-dichlorophenyl)carbonyl]-1,5-diethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Smiles: CCC12CN(CC(C2=O)(CN(C1)C(=O)c1ccc(cc1Cl)Cl)CC)C(=O)c1ccc(cc1Cl)Cl

STK549037
Synonyms: 2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-4-bromophenylbenzoate
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N)OC(=O)c1ccccc1

STK549038
Synonyms: 5-[3-(benzyloxy)-4-methoxyphenyl]-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: COc1ccc(cc1OCc1ccccc1)C1Oc2ccccc2C2N1N=C(C2)c1ccccc1

STK549039
Synonyms: N-(diphenylmethyl)-2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3

STK549040
Synonyms: (5Z)-5-({1-[2-(4-bromophenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-1-(4-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Fc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cccn2CCOc2ccc(cc2)Br)/C1=O

STK549041
Synonyms: 4-(4-chloro-3,5-dimethylphenoxy)-2-(2-fluorophenyl)quinazoline
Smiles: Fc1ccccc1c1nc(Oc2cc(C)c(c(c2)C)Cl)c2c(n1)cccc2

STK549042
Synonyms: 2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1CSc1nc2c(s1)cccc2

STK549044
Synonyms: 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: O=c1n(cnc2c1C1(CCCCC1)Cc1c2cccc1)C1CCOC(C1)(C)C

STK549046
Synonyms: ethyl1-acetyl-7-(4-iodophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1ccc(cc1)I)C(=O)C

STK549048
Synonyms: 2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(2-phenylethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: O=C(N1CCCCC1)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK549049
Synonyms: 2-[(5-ethyl-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-phenylacetamide
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccccc1)nn2)CCC3

STK549050
Synonyms: 4-(2-chlorophenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-4H-1,2,4-triazole-3-thiol
Smiles: Clc1ccccc1n1c(S)nnc1[C@@H]1C[C@H]1c1ccccc1

STK549051
Synonyms: 2-(benzylsulfanyl)-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: COc1cccc(c1)n1c(SCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549052
Synonyms: 4-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]-2-[4-(propan-2-yloxy)phenyl]quinazoline
Smiles: CC(Oc1ccc(cc1)c1nc(N/N=C/c2ccc(cc2)[N+](=O)[O-])c2c(n1)cccc2)C

STK549055
Synonyms: 11-pentyl-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCCCCn1c2ncn(c(=O)c2c2c1nc1ccccc1n2)CCc1ccccc1

STK549056
Synonyms: 4-[(2E)-2-(2-fluorobenzylidene)hydrazinyl]-2-[4-(propan-2-yloxy)phenyl]quinazoline
Smiles: CC(Oc1ccc(cc1)c1nc(N/N=C/c2ccccc2F)c2c(n1)cccc2)C

STK549057
Synonyms: (5Z)-1-[4-(butan-2-yl)phenyl]-5-{[2,5-dimethyl-1-(naphthalen-2-yl)-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2ccc3c(c2)cccc3)C)/C1=O)C

STK549058
Synonyms: 3-(2,6-dichlorophenyl)-2-{(E)-2-[4-(propan-2-yl)phenyl]ethenyl}quinazolin-4(3H)-one
Smiles: CC(c1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1c(Cl)cccc1Cl)C

STK549059
Synonyms: 3-[6-(2-bromo-4-methylphenoxy)hexyl]-2-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1ccc(cc1Br)C

STK549061
Synonyms: 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-2-yl)ethanone
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)cccc3)nnc1c1cccnc1

STK549062
Synonyms: 1-[(2-chlorobenzyl)sulfanyl]-4-(3-methylphenyl)-7-(propan-2-yl)-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: CC(C1OCc2c(C1)c1c(s2)n2c(SCc3ccccc3Cl)nnc2n(c1=O)c1cccc(c1)C)C

STK549063
Synonyms: propan-2-yl2-amino-1-(4-butylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCCCc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)OC(C)C

STK549064
Synonyms: N-benzyl-3-(4-methylphenyl)-3-[4-(propan-2-yloxy)phenyl]propanamide
Smiles: Cc1ccc(cc1)C(c1ccc(cc1)OC(C)C)CC(=O)NCc1ccccc1

STK549066
Synonyms: ethyl4-[5-(morpholin-4-yl)-8-oxo-1,3,4,8-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(2H)-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1

STK549068
Synonyms: 2,2'-{[12-(propan-2-yl)-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyl]disulfanediyl}bis[1-(4-chlorophenyl)ethanone]
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=O)c2ccc(cc2)Cl)nn1)CC(OC3)C(C)C

STK549069
Synonyms: 3-(furan-2-ylmethyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: O=C(c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK549072
Synonyms: N-(4-methylphenyl)-4-[4-(morpholin-4-yl)-3-nitrophenyl]phthalazin-1-amine
Smiles: Cc1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1

STK549073
Synonyms: 2-[(2,6-dichlorobenzyl)sulfanyl]-6,6-dimethyl-3-(3-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Cc1cccc(c1)n1c(SCc2c(Cl)cccc2Cl)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK549074
Synonyms: ethyl3-{[3-(4-carbamoylpiperidin-1-yl)propanoyl]amino}-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)C(=O)N)cc(cc2)OC

STK549075
Synonyms: (2E)-N-(2-{(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl}-2-oxoethyl)-3-phenylprop-2-enamide(non-preferredname)
Smiles: O=C(CNC(=O)/C=C/c1ccccc1)N/N=C/c1c(C)[nH]c2c1cccc2

STK549076
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK549079
Synonyms: (1'S,2'S,3R,3a'R)-1'-(2,2-dimethylpropanoyl)-2'-[(3-methoxyphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)[C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C

STK549080
Synonyms: 2-amino-N-(3-methylphenyl)-1-pentyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)Nc1cccc(c1)C

STK549081
Synonyms: N-(4-acetylphenyl)-2-{[5-(methylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)C(=O)C)nn2)CCCC3

STK549083
Synonyms: 2-[(2-methylbenzyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CC(=C)Cn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK549084
Synonyms: 2,2'-{[12-(propan-2-yl)-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyl]disulfanediyl}bis(1-phenylethanone)
Smiles: CC(C1OCc2c(C1)c1c3nnc(n3c3n(c1s2)c(SCC(=O)c1ccccc1)nn3)SCC(=O)c1ccccc1)C

STK549085
Synonyms: 3-[4-(dimethylamino)phenyl]-5-(2-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccccc1N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)N(C)C)c1ccccc1

STK549088
Synonyms: 1-(4-bromophenyl)-5-(2-methoxyphenyl)-3-(phenylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: COc1ccccc1N1C(=O)C2C(C1=O)C(=NN2c1ccc(cc1)Br)C(=O)c1ccccc1

STK549089
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[5-(4-nitrophenyl)furan-2-yl]methylidene}-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1COc1ccccc1)c1nonc1N)N/N=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]

STK549090
Synonyms: N-(4-methoxyphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCC3

STK549091
Synonyms: N-(2-chlorophenyl)-2-[4-(propan-2-yloxy)phenyl]quinazolin-4-amine
Smiles: CC(Oc1ccc(cc1)c1nc(Nc2ccccc2Cl)c2c(n1)cccc2)C

STK549092
Synonyms: (5Z)-1-(2-ethylphenyl)-5-(2,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc(OC)c(cc1/C=C\1/C(=O)NC(=O)N(C1=O)c1ccccc1CC)OC

STK549093
Synonyms: 2-(4-butoxyphenyl)-4-[(2,6-dichlorobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCCOc1ccc(cc1)c1nc(SCc2c(Cl)cccc2Cl)c2c(n1)sc1c2CC(OC1)(C)C

STK549096
Synonyms: N'-[11-(3-bromophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]-N,N-diethylbenzene-1,4-diamine
Smiles: CCN(c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)Br)c(nn1c1ccccc1)C)CC

STK549097
Synonyms: N-(3-chloro-4-fluorophenyl)-10-methyl-8-phenyl-11-(3,4,5-trimethoxyphenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1c(OC)cc(cc1OC)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)Cl)F)c1ccccc1

STK549098
Synonyms: 2-[(3-fluorobenzyl)sulfanyl]-6,8-diphenyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: Fc1cccc(c1)CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1

STK549099
Synonyms: N-[(2-{[5-(4-fluorophenyl)-1H-pyrazol-3-yl]carbonyl}hydrazinyl)carbonothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
Smiles: S=C(NC(=O)c1c(C)onc1c1ccccc1)NNC(=O)c1n[nH]c(c1)c1ccc(cc1)F

STK549100
Synonyms: 2-{[8,8-dimethyl-11-(morpholin-4-yl)-7,10-dihydro-8H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(furan-2-ylmethyl)acetamide
Smiles: O=C(NCc1ccco1)CSc1nnc2n1cnc1c2sc2c1c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK549102
Synonyms: 5-(2-chlorophenyl)-3-[(naphthalen-2-ylmethyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Clc1ccccc1c1nc2sc3c(c2c2n1c(SCc1ccc4c(c1)cccc4)nn2)CCCC3

STK549103
Synonyms: 2-(4-fluorophenyl)-3-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-4-carboxylicacid
Smiles: C=CCC1N(c2ccc(cc2)F)C(=O)c2c1cccc2C(=O)O

STK549104
Synonyms: 3-(4-methoxyphenyl)-2-[(2-methylbenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: COc1ccc(cc1)n1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549105
Synonyms: N-benzyl-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)NCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549106
Synonyms: 2-[(2-methylbenzyl)sulfanyl]-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CCCn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK549107
Synonyms: ethyl4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)CC(=O)c1c(C)[nH]c2c1cc(OC)cc2

STK549108
Synonyms: N-(diphenylmethyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549109
Synonyms: 4-[4-methyl-3-(morpholin-4-ylsulfonyl)phenyl]-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1(2H)-one
Smiles: O=C(N1CCN(CC1)c1ccccc1)Cn1nc(c2ccc(c(c2)S(=O)(=O)N2CCOCC2)C)c2c(c1=O)cccc2

STK549110
Synonyms: 6-chloro-2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenylquinazoline
Smiles: COc1cc(ccc1OC)C1CC(=NN1c1nc2ccc(cc2c(n1)c1ccccc1)Cl)c1cccs1

STK549111
Synonyms: 2-[(7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK549112
Synonyms: (5Z)-1-(3-chloro-4-methylphenyl)-5-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccccc1OCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C

STK549116
Synonyms: 11-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Brc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)Cl)C)c1ccccc1

STK549117
Synonyms: 2-[(Z)-(1-benzyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)n1c(/C=C\2/c3ccccc3N(C2=O)Cc2ccccc2)nc2c(c1=O)cccc2

STK549118
Synonyms: 6,6-dimethyl-2-(methylsulfanyl)-4-(propan-2-ylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CSc1nc(SC(C)C)c2c(n1)sc1c2CC(OC1)(C)C

STK549121
Synonyms: 4-{(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl}-2-(2-fluorophenyl)quinazoline
Smiles: Clc1ccc(cc1)/C(=N\Nc1nc(nc2c1cccc2)c1ccccc1F)/C

STK549122
Synonyms: 1-ethyl-6-fluoro-4-oxo-7-(4-{[(3,4,5-trimethoxyphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylicacid
Smiles: COc1cc(cc(c1OC)OC)C(=O)NC(=S)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK549123
Synonyms: ethyl1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])C(=O)C

STK549124
Synonyms: (6aS,6bR,9aS,10R)-8-(2,4-dichlorophenyl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK549125
Synonyms: 7,7-dimethyl-1-(2-methylpropyl)-2-phenyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione
Smiles: CC(Cn1c(nc(=S)c2c1CC(C)(C)OC2)c1ccccc1)C

STK549126
Synonyms: (5Z)-1-(3-chloro-4-methylphenyl)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\c1cn(c2c1cccc2)CCOc1c(C)cccc1C)c1ccc(c(c1)Cl)C

STK549127
Synonyms: 5-(3-methylphenyl)-3-(3-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1cccc(c1)N1C(=O)C2C(C1=O)ON(C2c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK549128
Synonyms: N-(2,5-dimethoxyphenyl)-2,2-diphenylcyclopropanecarboxamide
Smiles: COc1ccc(c(c1)NC(=O)C1CC1(c1ccccc1)c1ccccc1)OC

STK549131
Synonyms: 2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]-N,N-diphenylacetamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCC3

STK549132
Synonyms: 2-methoxy-4-[10-methyl-8-phenyl-6-(phenylamino)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl]phenol
Smiles: COc1cc(ccc1O)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccccc1)c1ccccc1

STK549133
Synonyms: 2-[(4-chlorobenzyl)sulfanyl]-3-(3-methylphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)c1cccc(c1)C)SCc1ccc(cc1)Cl)C

STK549134
Synonyms: 2-(pyridin-4-yl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: n1ccc(cc1)c1nc2n(n1)cnc1c2C2(CCCC2)Cc2c1cccc2

STK549135
Synonyms: 1-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-prop-2-en-1-ylthiourea
Smiles: C=CCNC(=S)Nc1nc(c(s1)C(C)(C)C)C

STK549136
Synonyms: 2-(5-{(Z)-[1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxybenzyl)-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)Br

STK549137
Synonyms: 8-fluoro-3-{[(E)-(3-fluorophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Fc1cccc(c1)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)F

STK549138
Synonyms: 2-[(5-oxo-4-phenyl-4,5,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Smiles: O=C(CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCC3)NCCc1ccccc1

STK549139
Synonyms: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(1Z)-1-(2,4-dichlorophenyl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccccc1)N/N=C(\c1ccc(cc1Cl)Cl)/C

STK549140
Synonyms: 2-[(E)-2-(4-fluorophenyl)ethenyl]-6-iodo-3-(naphthalen-1-yl)quinazolin-4(3H)-one
Smiles: Fc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1cccc2c1cccc2)I

STK549142
Synonyms: ethyl5,6-dimethoxy-3-[(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propanoyl)amino]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)C)cc(c(c2)OC)OC

STK549143
Synonyms: (5Z)-1-[4-(butan-2-yl)phenyl]-5-{[1-(3-phenoxypropyl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccccc2)/C1=O)C

STK549144
Synonyms: 3-(2-methylpropyl)-2-(pentylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCC3

STK549145
Synonyms: 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-methylthiophen-2-yl)methylidene]acetohydrazide
Smiles: O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)N/N=C/c1sccc1C

STK549146
Synonyms: N-benzyl-5-nitro-2-(piperidin-1-yl)pyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(NCc2ccccc2)nc(nc1N)N1CCCCC1

STK549147
Synonyms: 2-(methoxycarbonyl)phenyl4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
Smiles: COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C=CCC1C(N2)c1ccc(cc1Cl)Cl

STK549148
Synonyms: (4-bromophenyl)[5-(2-chloro-7-methylquinolin-3-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Smiles: COc1ccc(cc1)C1=NN(C(C1)c1cc2ccc(cc2nc1Cl)C)C(=O)c1ccc(cc1)Br

STK549149
Synonyms: (5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Cc1ccc(c(c1)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])N(C)C)/C1=O)C

STK549152
Synonyms: 7-[2-(biphenyl-4-yl)-2-oxo-1-phenylethyl]-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(C(n1c(Br)nc2c1c(=O)n(C)c(=O)n2C)c1ccccc1)c1ccc(cc1)c1ccccc1

STK549153
Synonyms: ethyl5,6-dimethoxy-3-{[3-(4-methylpiperidin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)C)cc(c(c2)OC)OC

STK549154
Synonyms: 6,6-dimethyl-3-phenyl-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: O=c1c2c(sc3c2CC(C)(C)OC3)nc(n1c1ccccc1)SC/C=C/c1ccccc1

STK549155
Synonyms: N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}-9H-xanthene-9-carboxamide
Smiles: S=C(NC(=O)C1c2ccccc2Oc2c1cccc2)NN1CCCCC1c1cccnc1

STK549157
Synonyms: 4-{(E)-[(2E)-2-{1-cyano-2-[(3,4-dichlorophenyl)amino]-2-oxoethylidene}-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}phenyl4-bromobenzoate
Smiles: N#C/C(=c/1\s/c(=C/c2ccc(cc2)OC(=O)c2ccc(cc2)Br)/c(=O)n1c1ccccc1)/C(=O)Nc1ccc(c(c1)Cl)Cl

STK549158
Synonyms: 2-amino-1-(2-methoxyphenyl)-N-(tetrahydrofuran-2-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COc1ccccc1n1c(N)c(c2c1nc1ccccc1n2)C(=O)NCC1CCCO1

STK549159
Synonyms: (4aR,4bS,7aR,8S)-6-(2-methyl-5-nitrophenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-])c1ccccc1

STK549160
Synonyms: 3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: O=c1n(cnc2c1C1(CCCCC1)Cc1c2cccc1)c1ccccc1

STK549164
Synonyms: methyl1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: COC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])C(=O)C

STK549165
Synonyms: 3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one
Smiles: CC(Cc1ccc(cc1)c1csc(n1)c1cc2cccc(c2oc1=O)[N+](=O)[O-])C

STK549167
Synonyms: 1-acetyl-3-(biphenyl-4-yl)-7,9-dimethyl-4-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Smiles: CC(=O)N1N=C(c2ccc(cc2)c2ccccc2)C(n2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccccc1

STK549169
Synonyms: 1-methoxypropan-2-yl2-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COCC(OC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)C(F)(F)F)C

STK549171
Synonyms: (5Z)-3-[4-(diethylamino)phenyl]-5-(2-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCN(c1ccc(cc1)N1C(=S)S/C(=C\c2ccccc2OC)/C1=O)CC

STK549172
Synonyms: 1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-prop-2-en-1-ylthiourea
Smiles: C=CCNC(=S)Nc1c[nH]c(=O)[nH]c1=O

STK549174
Synonyms: 11-(3-methoxypropyl)-3-(tetrahydrofuran-2-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COCCCn1c2nc3ccccc3nc2c2c1ncn(c2=O)CC1CCCO1

STK549175
Synonyms: N-(2,4-dimethylphenyl)-2-{[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK549176
Synonyms: ethyl1-acetyl-7-(3-methylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1cccc(c1)C)C(=O)C

STK549178
Synonyms: 1-(4-bromophenyl)-2-[(5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]ethanone
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)c1ccc(cc1)Br)nn2)CC(OC3)(C)C

STK549180
Synonyms: (5Z)-5-({1-[2-(4-bromophenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Brc1ccc(cc1)OCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccco1

STK549181
Synonyms: (5Z)-5-({1-[3-(4-chlorophenoxy)propyl]-1H-indol-3-yl}methylidene)-1-(4-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccc(cc2)Cl)/C1=O

STK549183
Synonyms: ethyl4-{6-iodo-2-[(E)-2-(3-methylphenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(/C=C/c2cccc(c2)C)nc2c(c1=O)cc(cc2)I

STK549184
Synonyms: 11-(4-chloro-3-nitrophenyl)-3-hexyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)[N+](=O)[O-])Cl

STK549185
Synonyms: 1-chloro-6-fluoro-4-(4-fluorophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline
Smiles: ClC1C(CC2C1c1cccc(c1NC2c1ccc(cc1)F)F)Sc1ccccc1[N+](=O)[O-]

STK549186
Synonyms: [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](tricyclo[3.3.1.1~3,7~]dec-1-yl)methanone
Smiles: C=CCNc1nc(c(s1)C(=O)C12CC3CC(C2)CC(C1)C3)N

STK549188
Synonyms: N,N-diethyl-2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3)CC

STK549189
Synonyms: 2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK549191
Synonyms: N-{3-[bis(2-methylpropyl)amino]-2-hydroxypropyl}-N-(4-methylphenyl)benzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccccc1)c1ccc(cc1)C)CN(CC(C)C)CC(C)C

STK549193
Synonyms: 2-{4-[(3-fluorophenyl)amino]quinazolin-2-yl}-6-methoxyphenol
Smiles: COc1cccc(c1O)c1nc(Nc2cccc(c2)F)c2c(n1)cccc2

STK549194
Synonyms: 1-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylphenyl)urea
Smiles: O=C(Nc1ccccc1C)Nc1nnc(s1)c1ccc(cc1)F

STK549196
Synonyms: 11-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1nn(c2c1C(c1ccc(cc1)C(C)(C)C)n1c(=N2)c(Nc2ccc(c(c2)C)C)nc2c1cccc2)c1ccccc1

STK549197
Synonyms: 4-(benzyloxy)-N-[(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)OCc1ccccc1

STK549201
Synonyms: (5E)-1-cyclohexyl-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: O=C1NC(=S)N(C(=O)/C/1=C/NCCN1CCNCC1)C1CCCCC1

STK549202
Synonyms: 1-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cc1ccc(cc1)n1c(=O)c2c3CCCc3sc2n2c1nnc2SCc1ccc(cc1Cl)Cl

STK549203
Synonyms: (2'R,3'R)-2'-(furan-2-yl)-3'-[(4-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-1,3-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccco1)C(=O)c1c(C2=O)cccc1)cccc3

STK549205
Synonyms: 6-chloro-3-{5-(4-chlorophenyl)-1-[(2-chlorophenyl)carbonyl]-4,5-dihydro-1H-pyrazol-3-yl}-4-phenylquinolin-2(1H)-one
Smiles: Clc1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1Cl)c1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Cl

STK549206
Synonyms: 2-[(E)-2-(4-bromophenyl)ethenyl]-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one
Smiles: Brc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1cc(ccc1C)[N+](=O)[O-])I

STK549207
Synonyms: N,N-dibutyl-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: CCCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCC3)CCCC

STK549209
Synonyms: 3-ethyl-6-hydroxy-2-(octylsulfanyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4(3H)-one
Smiles: CCCCCCCCSc1nc(O)c(c(=O)n1CC)C1NCCc2c1cccc2

STK549210
Synonyms: 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(1E)-1-(4-methoxyphenyl)ethylidene]acetohydrazide
Smiles: COc1ccc(cc1)/C(=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)/C

STK549211
Synonyms: 1,4-bis(2,4-dinitronaphthalen-1-yl)piperazine
Smiles: [O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1N1CCN(CC1)c1c(cc(c3c1cccc3)[N+](=O)[O-])[N+](=O)[O-])cccc2

STK549213
Synonyms: 2-amino-1-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COc1cc(CCNC(=O)c2c(N)n(c3c2nc2ccccc2n3)c2ccc3c(c2)OCO3)ccc1OC

STK549214
Synonyms: (5E)-1-(2,4-dimethylphenyl)-5-(2,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc(OC)c(cc1/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1C)C)OC

STK549217
Synonyms: 4-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-2-[4-(propan-2-yloxy)phenyl]quinazoline
Smiles: CC(Oc1ccc(cc1)c1nc(N/N=C/c2cccc(c2)[N+](=O)[O-])c2c(n1)cccc2)C

STK549218
Synonyms: methyl1-{[3-(pentafluorophenoxy)phenyl]carbamoyl}-D-prolinate
Smiles: COC(=O)[C@H]1CCCN1C(=O)Nc1cccc(c1)Oc1c(F)c(F)c(c(c1F)F)F

STK549219
Synonyms: 2-{[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK549221
Synonyms: 11-butyl-5-(methylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCCCc1nc2sc3c(c2c2c1CCCC2)nc(n1c3nnc1)SC

STK549223
Synonyms: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxyquinazoline
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CCN(CC1)Cc1ccc2c(c1)OCO2)c1ccc(c(c1)OC)OC

STK549224
Synonyms: 5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: COc1ccccc1N1C(=O)C2C(C1=O)N(N=C2c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK549225
Synonyms: 6,6-dimethyl-2-(methylsulfanyl)-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CSc1nc(NCCc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C

STK549226
Synonyms: 1-ethyl-6-fluoro-7-(4-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)NC(=O)c1c(C)onc1c1ccccc1)c(c2)F

STK549227
Synonyms: 1-(3-hydroxypropyl)-7,7-dimethyl-2-phenyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione
Smiles: OCCCn1c(nc(=S)c2c1CC(C)(C)OC2)c1ccccc1

STK549229
Synonyms: 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4(3H)-one
Smiles: Brc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1CCc1ccccc1

STK549230
Synonyms: 3-(2-methylpropyl)-2-(propan-2-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CC(Cn1c(SC(C)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1)C

STK549231
Synonyms: (2Z)-2-(4-chlorobenzylidene)-6-(3,4-dimethoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1ccc(cc1OC)Cc1nn2c(nc1=O)s/c(=C\c1ccc(cc1)Cl)/c2=O

STK549232
Synonyms: 2-amino-1-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COc1ccc(c(c1)OC)n1c2nc3ccccc3nc2c(c1N)C(=O)NCCc1ccc(c(c1)OC)OC

STK549233
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}methylidene]-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2c2cccc(c2)[N+](=O)[O-])c2nonc2N)ccc1OCc1ccc(cc1)Cl

STK549234
Synonyms: 2-{[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3SCC(=O)Nc1cccc2c1cccc2)C

STK549235
Synonyms: N~2~,N~2~-dimethyl-N~4~-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N(C)C

STK549236
Synonyms: 9-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-8-methyl-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Smiles: C/C(=C\CSc1nc2sc3c(c2c(=O)n1C)CCc1c3cccc1)/Cl

STK549237
Synonyms: 2-(2-fluorophenyl)-4-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]quinazoline
Smiles: Fc1ccccc1c1nc(N/N=C/c2ccc(cc2)[N+](=O)[O-])c2c(n1)cccc2

STK549238
Synonyms: 1-[(2-chlorobenzyl)sulfanyl]-4-(4-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccccc1Cl

STK549239
Synonyms: (5Z)-5-[4-(dimethylamino)benzylidene]-1-(2-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(cc2)N(C)C)/C1=O

STK549240
Synonyms: N-{1-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-2-yl}-4-methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1n(c2cc(C)cc(c2)C)c2c(c1S(=O)(=O)c1ccc(cc1)C)nc1c(n2)cccc1

STK549241
Synonyms: 4-{[(6aS,6bR,9aS,10R)-8-(2-methyl-4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-10-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1C)[N+](=O)[O-])C=Cc1c2cccc1

STK549242
Synonyms: 2-{[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2C)C)nc(c(c1c1ccc(c(c1)OC)OC)C#N)N

STK549244
Synonyms: 3-amino-N-tert-butyl-4-(2-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccccc1c1cc(nc2c1c(N)c(s2)C(=O)NC(C)(C)C)c1ccccc1

STK549248
Synonyms: ethyl3-({3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]propanoyl}amino)-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)C(=O)c1ccco1)cc(cc2)OC

STK549249
Synonyms: 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N'-[(1Z)-1-(3,4-dichlorophenyl)ethylidene]acetohydrazide
Smiles: O=C(N/N=C(\c1ccc(c(c1)Cl)Cl)/C)CSc1nnc(s1)SCc1ccc(cc1)Cl

STK549250
Synonyms: 2-(3-chlorophenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Smiles: Clc1cccc(c1)c1nc2n(n1)cnc1c2C2(CCCCC2)Cc2c1cccc2

STK549252
Synonyms: 2-(3-chlorophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: Clc1cccc(c1)N1C(=O)C2C(C1=O)C1C(=C3CCCCC3)C2C=C1

STK549254
Synonyms: 2-bromo-N-[(1E)-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl]benzamide
Smiles: O=C(/C(=C\c1cccnc1)/NC(=O)c1ccccc1Br)NCCc1c[nH]c2c1cccc2

STK549258
Synonyms: 3-[5-(2-chloro-5-methylphenoxy)pentyl]-2-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1cc(C)ccc1Cl

STK549259
Synonyms: N-[(Z)-{[(4-chlorophenyl)sulfonyl]imino}(phenyl)methyl]glycine
Smiles: OC(=O)CN/C(=N\S(=O)(=O)c1ccc(cc1)Cl)/c1ccccc1

STK549260
Synonyms: 2-imino-10-methyl-1-(4-methylbenzyl)-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Smiles: Cc1ccc(cc1)Cn1c2nc3c(C)cccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccc(cc1)C

STK549264
Synonyms: N-[4-(acetylamino)phenyl]-2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3

STK549265
Synonyms: 2-[(5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)NC(CCc1ccccc1)C)nn2)CC(OC3)(C)C

STK549266
Synonyms: 8-(4-benzylpiperazin-1-yl)-5-nitroquinoline
Smiles: [O-][N+](=O)c1ccc(c2c1cccn2)N1CCN(CC1)Cc1ccccc1

STK549268
Synonyms: (6aR,6bS,9aR,10S)-8-(3-bromophenyl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: Brc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK549269
Synonyms: 6-ethyl-6,12-dimethyl-9-(methylsulfanyl)-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n1c(n2C)nnc1SC

STK549272
Synonyms: N-(3-chloro-4-methylphenyl)-10-methyl-11-(3-nitrophenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1nn(c2c1C(c1cccc(c1)[N+](=O)[O-])n1c(=N2)c(Nc2ccc(c(c2)Cl)C)nc2c1cccc2)c1ccccc1

STK549273
Synonyms: 2-(hexylsulfanyl)-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCn1c(SCCCCCC)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549275
Synonyms: 3-[(2,6-dichlorobenzyl)sulfanyl]-11-propyl-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncn1c3nnc1SCc1c(Cl)cccc1Cl

STK549276
Synonyms: 3-benzyl-6-iodo-2-(pentylsulfanyl)quinazolin-4(3H)-one
Smiles: CCCCCSc1nc2ccc(cc2c(=O)n1Cc1ccccc1)I

STK549278
Synonyms: N-(3-bromo-4-methylphenyl)-7-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: CC1CCN(CC1)c1cc(Nc2ccc(c(c2)Br)C)c(c2c1non2)[N+](=O)[O-]

STK549279
Synonyms: 2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N,N-dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3)CCC

STK549280
Synonyms: propan-2-yl2-amino-1-(2-methoxyethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COCCn1c2nc3ccccc3nc2c(c1N)C(=O)OC(C)C

STK549281
Synonyms: 2-(propoxycarbonyl)phenyl4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
Smiles: CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C=CCC1C(N2)c1cccc(c1)[N+](=O)[O-]

STK549282
Synonyms: N-(naphthalen-1-yl)-2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK549283
Synonyms: 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-methoxynaphthalen-1-yl)methylidene]acetohydrazide
Smiles: COc1ccc2c(c1/C=N/NC(=O)CSc1nnc(n1CC)c1ccc(cc1)C(C)(C)C)cccc2

STK549284
Synonyms: diethyl1,1'-(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4-diyl)bis(5-amino-1H-pyrazole-4-carboxylate)
Smiles: CCOC(=O)c1cnn(c1N)c1nc2sc3c(c2c(n1)n1ncc(c1N)C(=O)OCC)CCC(C3)C

STK549285
Synonyms: N-{1,1,1,3,3,3-hexafluoro-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]propan-2-yl}pyridine-3-carboxamide
Smiles: O=C(c1cccnc1)NC(C(F)(F)F)(C(F)(F)F)Nc1nc2c(s1)cc(cc2)[N+](=O)[O-]

STK549286
Synonyms: N-(4-chlorophenyl)-11-(4-ethylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)Cl)c1ccccc1

STK549288
Synonyms: 3-[3-(2-chloro-4,6-dimethylphenoxy)propyl]-2-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1c(C)cc(cc1Cl)C

STK549289
Synonyms: methyl(2E)-[2-(4-chlorophenyl)hydrazinylidene][(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanoate
Smiles: COC(=O)/C(=N\Nc1ccc(cc1)Cl)/Sc1nnnn1c1ccccc1

STK549291
Synonyms: 2-({4-amino-6-[(2-fluorophenyl)amino]-5-nitropyrimidin-2-yl}amino)ethanol
Smiles: OCCNc1nc(Nc2ccccc2F)c(c(n1)N)[N+](=O)[O-]

STK549292
Synonyms: (2'R,3'R)-2'-(2,3-dimethoxyphenyl)-3'-(phenylcarbonyl)-2',3'-dihydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-1,3-dione
Smiles: COc1c(OC)cccc1[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2

STK549294
Synonyms: {[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetonitrile
Smiles: N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCC3

STK549295
Synonyms: 7-(pentylsulfanyl)-4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCCCCSc1ncnc2c1sc1c2c2CCCc2c(n1)C(C)C

STK549296
Synonyms: 3-(5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexan]-2-yl)phenol
Smiles: Oc1cccc(c1)c1nc2n(n1)cnc1c2C2(CCCCC2)Cc2c1cccc2

STK549297
Synonyms: 3-(furan-2-ylmethyl)-2-(pentylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK549299
Synonyms: 4-(2,4-dichlorophenoxy)-2-(2-fluorophenyl)quinazoline
Smiles: Clc1ccc(c(c1)Cl)Oc1nc(nc2c1cccc2)c1ccccc1F

STK549301
Synonyms: (6aR,6bS,9aR,10S)-8-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: COc1ccc(c(c1)OC)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK549303
Synonyms: (8S,8aR,11aS,11bS)-10-(2-chlorophenyl)-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Clc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2

STK549304
Synonyms: N-{(1E)-1-(3,4-diethoxyphenyl)-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-2-yl}-4-methylbenzamide
Smiles: OCCNC(=O)/C(=C\c1ccc(c(c1)OCC)OCC)/NC(=O)c1ccc(cc1)C

STK549305
Synonyms: (5Z)-5-({1-[3-(3,5-dimethylphenoxy)propyl]-1H-indol-3-yl}methylidene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Cc1cc(OCCCn2cc(c3c2cccc3)/C=C\2/C(=O)NC(=O)N(C2=O)Cc2ccco2)cc(c1)C

STK549306
Synonyms: 3-(2-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Cc1ccccc1n1cnc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK549307
Synonyms: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(c(c1)Cl)F)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK549308
Synonyms: methyl4-[3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(c(c1)OC)O

STK549309
Synonyms: tert-butyl(2''R,3''R)-2''-(3,4-dimethoxyphenyl)-4',6'-dioxo-2'',3''-dihydro-10b''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',1''-pyrrolo[2,1-a]phthalazine]-3''-carboxylate
Smiles: COc1cc(ccc1OC)[C@H]1[C@H](C(=O)OC(C)(C)C)N2C(C31C(=O)OC1(OC3=O)CCCCC1)c1ccccc1C=N2

STK549310
Synonyms: (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C(F)(F)F)Cl)/c1scc(n1)c1ccc(cc1)CC(C)C

STK549311
Synonyms: N-[(4E)-8-ethoxy-6-(4-ethoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-ylidene]benzene-1,2-diamine
Smiles: CCOc1ccc(cc1)c1c/c(=N\c2ccccc2N)/c2c(c(c1)OCC)c(oc2C)C

STK549312
Synonyms: 1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylphenyl)urea
Smiles: O=C(Nc1ccccc1C)Nc1nnc(s1)c1cccc(c1)F

STK549313
Synonyms: (5Z)-1-(3-chloro-4-methylphenyl)-5-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Cc1ccc(cc1)OCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C

STK549315
Synonyms: 3-butyl-2-(propan-2-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCCn1c(SC(C)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549316
Synonyms: 4-chloro-2-(pyridin-2-yl)quinazoline
Smiles: Clc1nc(nc2c1cccc2)c1ccccn1

STK549317
Synonyms: 10-methyl-N-(3-methylphenyl)-8-phenyl-11-(thiophen-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cccs1)C)c1ccccc1

STK549318
Synonyms: 3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione
Smiles: O=C1CC(C(=O)N1c1ccccc1)Cn1nc(cc1C)C

STK549320
Synonyms: 7-(4-chlorophenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Smiles: Clc1ccc(cc1)N1C(=O)CC2(C1=O)ON=C(C2)c1cccc(c1)[N+](=O)[O-]

STK549321
Synonyms: N,N-dibutyl-2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: CCCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3)CCCC

STK549322
Synonyms: (4bR,7aS,8R)-6-(3-bromophenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Brc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2C=CC=N1)C(=O)c1ccccc1

STK549324
Synonyms: (5Z)-5-[(1-{2-[2-(butan-2-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]-1-(4-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC(c1ccccc1OCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)F)C

STK549325
Synonyms: 3,3'-sulfonylbis{6-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide}
Smiles: CCN(c1ccc(cc1)NS(=O)(=O)c1cc(ccc1Cl)S(=O)(=O)c1ccc(c(c1)S(=O)(=O)Nc1ccc(cc1)N(CC)CC)Cl)CC

STK549326
Synonyms: N-(3,5-dimethylphenyl)-11-(4-ethoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cc(C)cc(c1)C)nc1c2cccc1

STK549327
Synonyms: (5Z)-5-(4-hydroxy-3-methoxybenzylidene)-3-(naphthalen-2-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)c1ccc2c(c1)cccc2

STK549328
Synonyms: (4bR,7aS,8R)-6-(4-nitrophenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@@H](N1C2C=CC=N1)C(=O)c1ccccc1

STK549329
Synonyms: N'-[(1Z)-3,5-diphenylcyclohex-2-en-1-ylidene]-4-methoxybenzohydrazide
Smiles: COc1ccc(cc1)C(=O)N/N=C\1/CC(CC(=C1)c1ccccc1)c1ccccc1

STK549330
Synonyms: 4-fluoro-N-[(2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]benzamide
Smiles: S=C(NC(=O)c1ccc(cc1)F)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK549331
Synonyms: (5Z)-5-({1-[2-(4-bromophenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-1-(4-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cccn2CCOc2ccc(cc2)Br)/C1=O

STK549332
Synonyms: 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccc(cc1)Cl)N/N=C/C(=C/c1ccco1)/C

STK549335
Synonyms: ethyl7-{[(4-benzylpiperidin-1-yl)acetyl]amino}-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCC(CC1)Cc1ccccc1)cc1c(c2)OCO1

STK549336
Synonyms: (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-(3-nitrobenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=c\1/s/c(=C\c2cccc(c2)[N+](=O)[O-])/c(=O)n1c1ccccc1)/C(=O)NCc1ccco1

STK549337
Synonyms: (3Z)-3-[(3-bromophenyl)imino]-1-[(4-phenylpiperazin-1-yl)methyl]-1,3-dihydro-2H-indol-2-one
Smiles: Brc1cccc(c1)/N=C\1/c2ccccc2N(C1=O)CN1CCN(CC1)c1ccccc1

STK549339
Synonyms: 2-[(3-ethyl-6-iodo-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide
Smiles: CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)cc(cc2)I

STK549341
Synonyms: 3-benzyl-6-iodo-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SCC(=O)N1CCOCC1)Cc1ccccc1

STK549342
Synonyms: (6aS,6bR,9aS,10R)-8-(3-fluorophenyl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: Fc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK549344
Synonyms: propan-2-yl2-amino-1-(4-chloro-3-nitrophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)[N+](=O)[O-])Cl)C

STK549345
Synonyms: 10-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
Smiles: Cc1ccc(cc1)n1c2ccccc2cc2c1nc(=O)[nH]c2=O

STK549347
Synonyms: N,N-dibutyl-2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: CCCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCC3)CCCC

STK549348
Synonyms: 2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCc1ccc(c(c1)OC)OC

STK549349
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1Z)-1-(3,4-dimethoxyphenyl)ethylidene]-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(ccc1OC)/C(=N\NC(=O)c1nnn(c1COc1ccccc1)c1nonc1N)/C

STK549350
Synonyms: 3-[5-(3-bromophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-6-chloro-4-phenylquinolin-2(1H)-one
Smiles: Brc1cccc(c1)C1CC(=NN1c1ccccc1)c1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Cl

STK549351
Synonyms: 9-(3-methylphenyl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8(9H)-one
Smiles: Cc1cccc(c1)n1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1

STK549352
Synonyms: (4aS,4bR,7aS,8R)-6-(1,3-benzodioxol-5-yl)-8-[(3-nitrophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C([C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)c1cccc(c1)[N+](=O)[O-]

STK549354
Synonyms: 4-{6-[(4-ethoxyphenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}benzene-1,2-diol
Smiles: CCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)O)O)c(nn1c1ccccc1)C

STK549355
Synonyms: 8-methoxy-2-methyl-3-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)c1nc(C)n(c(=O)c1[nH]2)/N=C/c1ccc(cc1)SC

STK549357
Synonyms: (5Z)-1-(3-chloro-4-methoxyphenyl)-5-{[1-(3-phenoxypropyl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1Cl)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccccc2)/C1=O

STK549358
Synonyms: 4-(3-methylphenyl)-1-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-7-(propan-2-yl)-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: CC(C1OCc2c(C1)c1c(s2)n2c(SC/C=C/c3ccccc3)nnc2n(c1=O)c1cccc(c1)C)C

STK549359
Synonyms: (4aS,4bR,7aS,8R)-6-(4-chlorophenyl)-8-[(3-nitrophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)c1cccc(c1)[N+](=O)[O-]

STK549363
Synonyms: 6-iodo-3-(naphthalen-2-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1cccc(c1)[N+](=O)[O-])c1ccc2c(c1)cccc2

STK549364
Synonyms: 4-{6-[(3-chloro-4-methylphenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}benzene-1,2-diol
Smiles: Cc1nn(c2c1C(c1ccc(c(c1)O)O)n1c(=N2)c(Nc2ccc(c(c2)Cl)C)nc2c1cccc2)c1ccccc1

STK549365
Synonyms: ethyl4-{[11-(furan-2-yl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccco2)c(nn1c1ccccc1)C

STK549367
Synonyms: 3-benzyl-2-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-6-iodoquinazolin-4(3H)-one
Smiles: C/C(=C\CSc1nc2ccc(cc2c(=O)n1Cc1ccccc1)I)/Cl

STK549368
Synonyms: (5Z)-3-(2-bromophenyl)-5-(2-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)c1ccccc1Br

STK549369
Synonyms: (5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(2,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Cc1ccc(c(c1)C)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])N(C)C)/C1=O

STK549370
Synonyms: 1-(4-methylphenoxy)-3-(pyrrolidin-1-yl)propan-2-ol
Smiles: OC(CN1CCCC1)COc1ccc(cc1)C

STK549372
Synonyms: dimethyl5-({(Z)-2-cyano-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzene-1,3-dicarboxylate
Smiles: N#C/C(=C/Nc1cc(cc(c1)C(=O)OC)C(=O)OC)/c1scc(n1)c1ccc(cc1)CC

STK549374
Synonyms: 8-methyl-9-(pentylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Smiles: CCCCCSc1nc2sc3c(c2c(=O)n1C)CCc1c3cccc1

STK549376
Synonyms: 6-iodo-3-(naphthalen-1-yl)-2-[(E)-2-phenylethenyl]quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1)c1cccc2c1cccc2

STK549377
Synonyms: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: Brc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK549378
Synonyms: 3-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)N(C)C

STK549379
Synonyms: 11-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-(prop-2-en-1-yl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: C=CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2

STK549380
Synonyms: 3-[4-(2-chloro-5-methylphenoxy)butyl]-2-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1cc(C)ccc1Cl

STK549381
Synonyms: 3-bromo-N-[2-(dipropan-2-ylamino)ethyl]-2-oxo-2H-pyran-5-carboxamide
Smiles: CC(N(C(C)C)CCNC(=O)c1coc(=O)c(c1)Br)C

STK549382
Synonyms: ethyl4-{[11-(3-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)OC)c(nn1c1ccccc1)C

STK549383
Synonyms: 2,2,5-trimethyl-10-(methylsulfanyl)-N-(tetrahydrofuran-2-ylmethyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CSc1nc(NCC2CCCO2)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)C

STK549384
Synonyms: 11-(4-ethoxyphenyl)-10-methyl-N-(3-methylphenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cccc(c1)C)nc1c2cccc1

STK549386
Synonyms: N-(3-bromo-4-methylphenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: CC1CCCN(C1)c1cc(Nc2ccc(c(c2)Br)C)c(c2c1non2)[N+](=O)[O-]

STK549387
Synonyms: 4-[3,5,6-trifluoro-4-(2-nitrophenoxy)pyridin-2-yl]morpholine
Smiles: Fc1nc(N2CCOCC2)c(c(c1F)Oc1ccccc1[N+](=O)[O-])F

STK549388
Synonyms: N-(4-chlorophenyl)-2-[(5-oxo-4-phenyl-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3

STK549389
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1

STK549390
Synonyms: 1-(4-chlorophenyl)-2-[(2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
Smiles: CCc1nc(SCC(=O)c2ccc(cc2)Cl)c2c(n1)sc1c2CCC1

STK549394
Synonyms: [2-(piperidin-1-yl)quinolin-3-yl]methanol
Smiles: OCc1cc2ccccc2nc1N1CCCCC1

STK549395
Synonyms: 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccc(c(c1)OC)OC

STK549396
Synonyms: 3-(2-methylpropyl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

STK549399
Synonyms: (5Z)-3-(2-chlorophenyl)-5-(3-fluorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)c1ccccc1Cl

STK549400
Synonyms: (9E)-9-(4-fluorobenzylidene)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-7-methyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine
Smiles: COc1ccc(cc1)c1csc2=NC3=C(C(n12)c1ccc(cc1)F)CN(C/C/3=C\c1ccc(cc1)F)C

STK549401
Synonyms: 5-ethyl-10,10-dimethyl-3-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nnc2n1c(CC)nc1c2c2CC(C)(C)OCc2s1

STK549402
Synonyms: 3-(2,5-dimethylphenyl)-11-(3-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Cc1ccc(c(c1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2c1cccc(c1)C)C

STK549403
Synonyms: ethyl{[4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1ncnc2c1sc1c2c2CCCc2c(n1)C(C)C

STK549404
Synonyms: (6aR,6bS,9aR,10S)-8-(4-chlorophenyl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: Clc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK549405
Synonyms: 6,6-dimethyl-3-(3-methylphenyl)-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Cc1cccc(c1)n1c(SC/C=C/c2ccccc2)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK549408
Synonyms: 2-(4-chlorophenyl)-3-[5-(3-methylphenoxy)pentyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1cccc(c1)C

STK549409
Synonyms: 5-bromo-4-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-2-chloropyrimidine
Smiles: Brc1ccc(cc1)/C=N/Nc1nc(Cl)ncc1Br

STK549410
Synonyms: 3,3'-{sulfonylbis[(2-chlorobenzene-4,1-diyl)oxy]}bis[1-(pyrrolidin-1-yl)propan-2-ol]
Smiles: OC(CN1CCCC1)COc1ccc(cc1Cl)S(=O)(=O)c1ccc(c(c1)Cl)OCC(CN1CCCC1)O

STK549411
Synonyms: 2-methoxyethyl2-amino-1-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COCCOC(=O)c1c2nc3ccccc3nc2n(c1N)c1ccccc1OCC

STK549413
Synonyms: 5-(2-chlorophenyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Clc1ccccc1c1nc2sc3c(c2c2n1c(SC/C=C/c1ccccc1)nn2)CCCC3

STK549414
Synonyms: N-(4-ethoxyphenyl)-11-(4-fluorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)F)c(nn1c1ccccc1)C

STK549416
Synonyms: (2E)-2-[(5E)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(3-chlorophenyl)-2-cyanoethanamide
Smiles: N#C/C(=c/1\s/c(=C/c2ccccc2)/c(=O)n1c1ccccc1)/C(=O)Nc1cccc(c1)Cl

STK549417
Synonyms: 3-bromo-N-(3-nitrophenyl)-2-oxo-2H-pyran-5-carboxamide
Smiles: O=C(c1coc(=O)c(c1)Br)Nc1cccc(c1)[N+](=O)[O-]

STK549418
Synonyms: (2'R,3'R)-2'-(4-methoxyphenyl)-3'-(phenylcarbonyl)-2',3'-dihydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-1,3-dione
Smiles: COc1ccc(cc1)[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2

STK549419
Synonyms: 3,7-bis[(3-nitrophenyl)carbonyl]-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Smiles: CCCC12CN(CC(C2=O)(CN(C1)C(=O)c1cccc(c1)[N+](=O)[O-])CCC)C(=O)c1cccc(c1)[N+](=O)[O-]

STK549420
Synonyms: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(s2)SCc2ccccc2)cc(c1OC)OC

STK549421
Synonyms: (5Z)-1-(3-chloro-4-methylphenyl)-5-({1-[2-(4-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1)OCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C

STK549422
Synonyms: 4-[(E)-{2-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenylbenzenesulfonate
Smiles: Clc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(cc2)OS(=O)(=O)c2ccccc2)/S1

STK549423
Synonyms: N-(4-methoxyphenyl)-2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK549425
Synonyms: 2-(trichloromethyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: ClC(c1nn2c(n1)c1c(nc2)sc2c1CCCC2)(Cl)Cl

STK549428
Synonyms: 1-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-7-(propan-2-yl)-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: Cc1cccc(c1)n1c(=O)c2c3CC(OCc3sc2n2c1nnc2SCC(=O)c1ccc(cc1)F)C(C)C

STK549429
Synonyms: 3-[(2,6-dichlorobenzyl)sulfanyl]-5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCc1nc2sc3c(c2c2n1c(SCc1c(Cl)cccc1Cl)nn2)CC(OC3)(C)C

STK549430
Synonyms: ethyl(2E)-cyano[5-(2-hydroxyethyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanoate
Smiles: OCCC1S/C(=C(/C(=O)OCC)\C#N)/N(C1=O)c1ccccc1

STK549431
Synonyms: 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccc(cc1)Cl)N/N=C/c1ccncc1

STK549432
Synonyms: 2-[(2,2-diethoxyethyl)sulfanyl]-6,8-diphenyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCOC(CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1)OCC

STK549434
Synonyms: 4-butyl-N-pentyl-2,3,5a,10b-tetrahydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: CCCCCNc1ncnc2c1SC1C2C2=C(C(=N1)CCCC)CCC2

STK549435
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-ethoxy-4-[(2-methylbenzyl)oxy]phenyl}methylidene]-5-(morpholin-4-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2CN2CCOCC2)c2nonc2N)ccc1OCc1ccccc1C

STK549437
Synonyms: 2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2ccc(cc2)OC)c(c(n1)N)[N+](=O)[O-]

STK549438
Synonyms: N-(2-methoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2OC)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549439
Synonyms: 1-[(4-bromobenzyl)sulfanyl]-4-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cc1ccc(cc1)n1c(=O)c2c3CCCc3sc2n2c1nnc2SCc1ccc(cc1)Br

STK549440
Synonyms: 2-methoxyethyl6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(cc1)Br

STK549441
Synonyms: 6-bromo-2-[5-(4-bromophenyl)-1',3'-diphenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazol-2-yl]-4-phenylquinazoline
Smiles: Brc1ccc(cc1)C1=NN(C(C1)c1cn(nc1c1ccccc1)c1ccccc1)c1nc2ccc(cc2c(n1)c1ccccc1)Br

STK549442
Synonyms: 3-{[(E)-(2,4-dichlorophenyl)methylidene]amino}-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Clc1ccc(c(c1)Cl)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)F

STK549443
Synonyms: 4-{[(6aS,6bR,9aS,10R)-8-(2-methoxy-5-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-10-yl]carbonyl}phenylacetate
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)c1ccc(cc1)OC(=O)C)[N+](=O)[O-]

STK549444
Synonyms: 4-(2-methylpropyl)-N-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3NCCN1CCOCC1)C

STK549445
Synonyms: 2-(benzylsulfanyl)-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549446
Synonyms: N-(4-bromophenyl)-2-[(5-oxo-4-phenyl-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3

STK549447
Synonyms: (5Z)-1-(4-fluorophenyl)-5-({1-[3-(2-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Fc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccccc2C)/C1=O

STK549448
Synonyms: N'-[11-(3,4-dimethoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]-N,N-diethylbenzene-1,4-diamine
Smiles: CCN(c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)OC)OC)c(nn1c1ccccc1)C)CC

STK549449
Synonyms: 5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Oc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)F

STK549451
Synonyms: 6,6-dimethyl-2-(methylsulfanyl)-4-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SC)nc2c1c1CC(C)(C)OCc1s2

STK549452
Synonyms: (5Z)-1-(4-fluorophenyl)-5-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccccc1OCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)F

STK549453
Synonyms: 3-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole
Smiles: [O-][N+](=O)c1cccc(c1)C1CC(=NN1S(=O)(=O)C)c1ccco1

STK549454
Synonyms: N-cyclohexyl-2-imino-1,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: O=C(c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1C)NC1CCCCC1

STK549457
Synonyms: 2-methoxy-6-[4-(4-phenylpiperazin-1-yl)quinazolin-2-yl]phenol
Smiles: COc1cccc(c1O)c1nc(N2CCN(CC2)c2ccccc2)c2c(n1)cccc2

STK549458
Synonyms: 2-{[10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)c1ccc(cc1)[N+](=O)[O-])nn2)CC(OC3)(C)C

STK549459
Synonyms: (5Z)-2-[(2-chlorophenyl)amino]-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1,3-thiazol-4(5H)-one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=NC1=O)Nc1ccccc1Cl

STK549460
Synonyms: 4-butoxy-N'-[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl]benzohydrazide
Smiles: CCCCOc1ccc(cc1)C(=O)NNc1nc(SC)nc2c1c1CCCc1s2

STK549461
Synonyms: ethyl4-({[1-amino-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl]carbonyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1

STK549462
Synonyms: ethyl3-({3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanoyl}amino)-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cc(Cl)ccc1C)cc(cc2)OC

STK549463
Synonyms: N~4~-(3-methylphenyl)-5-nitro-N~2~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: Cc1cccc(c1)Nc1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N

STK549468
Synonyms: (5Z)-5-{3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-methoxybenzylidene}-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccco1

STK549471
Synonyms: (5Z)-5-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-1-(3-chloro-4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC(c1ccc(cc1)OCCn1cccc1/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)OC)C

STK549473
Synonyms: 1-(3-methylphenyl)-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)C

STK549474
Synonyms: N-(4-methoxyphenyl)-2-[4-(propan-2-yloxy)phenyl]quinazolin-4-amine
Smiles: COc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccc(cc1)OC(C)C

STK549477
Synonyms: N-(4-chlorophenyl)-11-(3,4-dichlorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(c(c1)Cl)Cl)C)c1ccccc1

STK549478
Synonyms: ethyl3-({3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanoyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cc(Cl)ccc1C)cccc2

STK549480
Synonyms: 9-bromo-5-(3,4-difluorophenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccc(c(c1)F)F)c1cccs1

STK549483
Synonyms: 2-hydroxy-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
Smiles: CSc1nnc(s1)NC(=O)c1ccccc1O

STK549484
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(2Z)-butan-2-ylidene]-5-[(phenylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CC/C(=N\NC(=O)c1nnn(c1CNc1ccccc1)c1nonc1N)/C

STK549486
Synonyms: 2-(2-bromophenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Smiles: Brc1ccccc1c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK549487
Synonyms: 3-[(4-fluorobenzyl)sulfanyl]-10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)F)nn2)CC(OC3)(C)C

STK549488
Synonyms: (2E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-[(3,4,5-trimethoxyphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(c(c1)OC)OC)/c1scc(n1)c1ccc(cc1)C

STK549489
Synonyms: methyl4-{6-[(4-bromophenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc(cc1)Br)nc1c2cccc1

STK549491
Synonyms: 3-methyl-7-{[2-(pyrrolidin-1-yl)ethyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: Cc1ccc2c(c1)oc1c([nH]2)c2c(c(c1)NCCN1CCCC1)c(=O)c1c(c2=O)cccc1

STK549492
Synonyms: (6aS,6bR,9aS,10R)-8-(naphthalen-1-yl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: O=C([C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc3c1cccc3)C=Cc1c2cccc1)Nc1ccc(cc1)[N+](=O)[O-]

STK549493
Synonyms: 3-chloro-N-(2,6-dichlorophenyl)-2,5,6-trifluoropyridin-4-amine
Smiles: Clc1cccc(c1Nc1c(F)c(F)nc(c1Cl)F)Cl

STK549494
Synonyms: 4-chloro-N-[2-(naphthalen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
Smiles: Clc1ccc(cc1)C(=O)Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK549495
Synonyms: 8-chloro-10-(4-fluorophenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
Smiles: Fc1ccc(cc1)n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O

STK549496
Synonyms: (5Z)-1-(4-ethylphenyl)-5-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2ccc(cc2)C)/C1=O

STK549497
Synonyms: 2-(4-butoxyphenyl)-6,6-dimethyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCCOc1ccc(cc1)c1nc(SC/C=C/c2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C

STK549498
Synonyms: 4-[(2E)-2-(2-fluorobenzylidene)hydrazinyl]-2-(2-fluorophenyl)quinazoline
Smiles: Fc1ccccc1/C=N/Nc1nc(nc2c1cccc2)c1ccccc1F

STK549499
Synonyms: (2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)Br

STK549500
Synonyms: 1-(4-bromophenyl)-2-{[2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]sulfanyl}ethanone
Smiles: CSc1nc(SCC(=O)c2ccc(cc2)Br)c2c(n1)sc1c2CCCC1

STK549501
Synonyms: 3-(furan-2-ylmethyl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK549503
Synonyms: 2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N,N-diphenylacetamide
Smiles: Cc1cccc(c1)n1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549506
Synonyms: 3-[(4-methylphenyl)sulfonyl]-1-phenyl-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c2nc3ccccc3nc2n(c1N)c1ccccc1

STK549507
Synonyms: 4-(biphenyl-4-yloxy)-2-(2-fluorophenyl)quinazoline
Smiles: Fc1ccccc1c1nc(Oc2ccc(cc2)c2ccccc2)c2c(n1)cccc2

STK549508
Synonyms: (5Z)-1-(3-chloro-4-methylphenyl)-5-({1-[2-(2-chlorophenoxy)ethyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\c1cn(c2c1cccc2)CCOc1ccccc1Cl)c1ccc(c(c1)Cl)C

STK549509
Synonyms: 1-methoxypropan-2-yl2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COCC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cc(C)cc(c1)C)C

STK549510
Synonyms: 2,4-bis(5-chloro-2-nitrophenoxy)-3,5,6-trifluoropyridine
Smiles: Clc1ccc(c(c1)Oc1nc(F)c(c(c1F)Oc1cc(Cl)ccc1[N+](=O)[O-])F)[N+](=O)[O-]

STK549512
Synonyms: 1,3-diethyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-ylacetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: CCn1c(O)c(C(=O)CC2NCCc3c2cccc3)c(=O)n(c1=S)CC

STK549513
Synonyms: 1-(piperidin-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol
Smiles: OC(CN1CCCCC1)COc1c(Cl)cc(cc1Cl)Cl

STK549515
Synonyms: N-benzyl-2-imino-1-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: O=C(c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1)NCc1ccccc1

STK549517
Synonyms: N'-[11-(4-tert-butylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]-N,N-diethylbenzene-1,4-diamine
Smiles: CCN(c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)(C)C)c(nn1c1ccccc1)C)CC

STK549520
Synonyms: 2-(prop-2-en-1-ylsulfanyl)-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCn1c(SCC=C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549521
Synonyms: 10-methyl-N,8-diphenyl-11-(3,4,5-trimethoxyphenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1cc(cc(c1OC)OC)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccccc1)nc1c2cccc1

STK549522
Synonyms: N-{[2-(furan-2-ylcarbonyl)hydrazinyl]carbonothioyl}-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
Smiles: S=C(NC(=O)c1c(C)onc1c1ccccc1)NNC(=O)c1ccco1

STK549524
Synonyms: (8R,8aS,11aR)-8-acetyl-10-(4-methylphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: CC(=O)[C@H]1[C@H]2C(=O)N(C(=O)[C@H]2C2N1N=Cc1c2cccc1)c1ccc(cc1)C

STK549526
Synonyms: ethyl5-methoxy-3-{[3-(pyrrolidin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCC1)cc(cc2)OC

STK549527
Synonyms: N-(1-phenylpropan-2-yl)-2-[(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetamide
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)NC(Cc1ccccc1)C

STK549528
Synonyms: 4-({[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)benzoicacid
Smiles: OC(=O)c1ccc(cc1)CSc1nnc(s1)SCc1ccccc1

STK549530
Synonyms: ethyl1,2-dimethyl-5-{2-oxo-2-[(2Z)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]ethoxy}-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OCC(=O)N/N=C/1\C(=O)Nc3c1cccc3)cc2)C

STK549531
Synonyms: (5Z)-1-(4-fluorophenyl)-5-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Cc1ccc(cc1)OCCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)F

STK549533
Synonyms: (5-bromofuran-2-yl)[5-(4-bromophenyl)-3'-(4-methylphenyl)-1'-phenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazol-2-yl]methanone
Smiles: Brc1ccc(o1)C(=O)N1N=C(CC1c1cn(nc1c1ccc(cc1)C)c1ccccc1)c1ccc(cc1)Br

STK549535
Synonyms: 2-[4-(2,6-dimethylmorpholin-4-yl)quinazolin-2-yl]-6-methoxyphenol
Smiles: COc1cccc(c1O)c1nc2ccccc2c(n1)N1CC(C)OC(C1)C

STK549536
Synonyms: 3-{[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]amino}-2-methylquinazolin-4(3H)-one
Smiles: Clc1cc(/C=N/n2c(C)nc3c(c2=O)cccc3)c(c(c1)[N+](=O)[O-])O

STK549538
Synonyms: 5-ethyl-3-(prop-2-en-1-ylsulfanyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: C=CCSc1nnc2n1c(CC)nc1c2c2CCCc2s1

STK549540
Synonyms: (8S,8aR,11aS,11bS)-8-(2,2-dimethylpropanoyl)-10-(4-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)C(C)(C)C

STK549541
Synonyms: 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: COc1cccc(c1)n1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549542
Synonyms: 3-[(3-fluorobenzyl)sulfanyl]-5-(methylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1cccc(c1)F)nn2)CCCC3

STK549544
Synonyms: 2-(4-chlorophenyl)-3-{2-[2-(4-iodophenoxy)ethoxy]ethyl}quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOCCOc1ccc(cc1)I

STK549546
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl}methylidene]-5-(morpholin-4-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1ccc(cc1COc1c(Cl)cc(cc1Cl)Cl)/C=N/NC(=O)c1nnn(c1CN1CCOCC1)c1nonc1N

STK549547
Synonyms: N-(4-bromophenyl)-2-(pyridin-2-yl)quinazolin-4-amine
Smiles: Brc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccccn1

STK549549
Synonyms: 2-methoxyethyl2-amino-1-(2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COCCOC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1C)C

STK549551
Synonyms: ethyl7-chloro-3-methyl-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1C)cccc2Cl

STK549553
Synonyms: ethyl3-{[2-(4-benzylpiperidin-1-yl)propanoyl]amino}-5,6-dimethoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCC(CC1)Cc1ccccc1)C)cc(c(c2)OC)OC

STK549554
Synonyms: 5-[4-(hexyloxy)phenyl]-3-(3-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)[N+](=O)[O-]

STK549555
Synonyms: N~2~-[3-(dimethylamino)propyl]-N~4~-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CN(CCCNc1nc(Nc2cccc(c2)C)c(c(n1)N)[N+](=O)[O-])C

STK549556
Synonyms: (2Z)-1-acetyl-2-{[6-methyl-2-(piperidin-1-yl)quinolin-3-yl]methylidene}-1,2-dihydro-3H-indol-3-one
Smiles: Cc1ccc2c(c1)cc(c(n2)N1CCCCC1)/C=C/1\N(C(=O)C)c2c(C1=O)cccc2

STK549558
Synonyms: 3-bromo-2-oxo-N-[(1R)-1-phenylethyl]-2H-pyran-5-carboxamide
Smiles: O=C(c1coc(=O)c(c1)Br)N[C@@H](c1ccccc1)C

STK549559
Synonyms: 1-[4-(acetylamino)phenyl]-2-amino-N-butyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)NC(=O)C

STK549562
Synonyms: (5Z)-1-[4-(butan-2-yl)phenyl]-5-{[2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2cccc3c2cccc3)C)/C1=O)C

STK549563
Synonyms: (4bR,7aS,8R)-6-(naphthalen-2-yl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C([C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2)c1ccccc1

STK549564
Synonyms: 11-(3-methoxypropyl)-2-methyl-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COCCCn1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)CCc1ccccc1

STK549565
Synonyms: N'-[11-(4-ethoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]-N,N-diethylbenzene-1,4-diamine
Smiles: CCOc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)N(CC)CC)c1ccccc1

STK549566
Synonyms: (2E)-3-(4-fluorophenyl)-N-[(2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]prop-2-enamide
Smiles: S=C(NC(=O)/C=C/c1ccc(cc1)F)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK549568
Synonyms: 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-7-tert-butyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Cc1cccc(c1)n1c(SCc2ccc3c(c2)OCO3)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)C

STK549569
Synonyms: (8R,8aS,11aR)-10-(2,4-dimethoxyphenyl)-8-[(4-methoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1OC)OC)cccc3

STK549570
Synonyms: 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(4-methylphenyl)methylidene]acetohydrazide
Smiles: Cc1ccc(cc1)/C=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

STK549571
Synonyms: 2-benzyl-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Smiles: c1ccc(cc1)Cc1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK549572
Synonyms: 4-(6-{[4-(diethylamino)phenyl]amino}-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)-2-methoxyphenol
Smiles: CCN(c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)OC)O)c(nn1c1ccccc1)C)CC

STK549573
Synonyms: 4-butyl-N-cyclohexyl-2,3,5a,10b-tetrahydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncnc3NC1CCCCC1

STK549574
Synonyms: 2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)nnc1CSc1nc2c(s1)cccc2

STK549575
Synonyms: 5-ethyl-3-(heptylsulfanyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCCCCCSc1nnc2n1c(CC)nc1c2c2CC(C)(C)OCc2s1

STK549576
Synonyms: 3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Smiles: Clc1cccc(c1)n1c(=O)c2c3CCCCc3sc2n(c1=O)C

STK549578
Synonyms: (4bR,7aS,8R)-6-(2,4-dichlorophenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)c2ccccc2)N=CC=C1

STK549580
Synonyms: 4-butoxy-N'-[2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]benzohydrazide
Smiles: CCCCOc1ccc(cc1)C(=O)NNc1nc(SC)nc2c1c1CCCCc1s2

STK549581
Synonyms: N-[4-(acetylamino)phenyl]-2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK549582
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(2-methoxy-5-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2)[N+](=O)[O-]

STK549583
Synonyms: 4-[4-(2,3,5,6-tetrafluoropyridin-4-yl)piperazin-1-yl]aniline
Smiles: Nc1ccc(cc1)N1CCN(CC1)c1c(F)c(F)nc(c1F)F

STK549585
Synonyms: 4-methyl-N-(naphthalen-1-yl)-3-[4-(propan-2-yloxy)phenyl]pentanamide
Smiles: O=C(Nc1cccc2c1cccc2)CC(c1ccc(cc1)OC(C)C)C(C)C

STK549587
Synonyms: 11-(4-methoxybenzyl)-3-(2-methoxyphenyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COc1ccc(cc1)Cn1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)c1ccccc1OC

STK549588
Synonyms: (5Z)-2-[(4-methylphenyl)amino]-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: COc1cc(/C=C/2\SC(=NC2=O)Nc2ccc(cc2)C)cc(c1OC)OC

STK549589
Synonyms: 12-benzyl-9-(benzylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
Smiles: O=c1n2c(SCc3ccccc3)nnc2n(c2c1C1(CCCCC1)Cc1c2cccc1)Cc1ccccc1

STK549591
Synonyms: 3-acetyl-5-(2-methoxyphenyl)-1-(3-methylphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: COc1ccccc1N1C(=O)C2C(C1=O)N(N=C2C(=O)C)c1cccc(c1)C

STK549592
Synonyms: (5Z)-3-(2-bromophenyl)-5-(4-ethoxy-3-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)c1ccccc1Br

STK549593
Synonyms: 2-amino-N-(3-methylphenyl)-1-(2-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccccc1

STK549595
Synonyms: (4aS,4bR,7aS,8R)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(3-nitrophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C1N(c2ccc3c(c2)OCCO3)C(=O)[C@@H]2[C@H]1[C@@H](N1[C@H]2C=CC=N1)C(=O)c1cccc(c1)[N+](=O)[O-]

STK549596
Synonyms: 4-(biphenyl-4-yloxy)-2-[4-(propan-2-yloxy)phenyl]quinazoline
Smiles: CC(Oc1ccc(cc1)c1nc(Oc2ccc(cc2)c2ccccc2)c2c(n1)cccc2)C

STK549597
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene}-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2COc2ccccc2)c2nonc2N)cc(c1OCc1cccc2c1cccc2)Br

STK549599
Synonyms: (2E)-2-cyano-N-(3,4-dichlorophenyl)-2-[(5E)-5-(2-methoxybenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=c/1\s/c(=C/c2ccccc2OC)/c(=O)n1c1ccccc1)/C(=O)Nc1ccc(c(c1)Cl)Cl

STK549600
Synonyms: 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CC(C)CC(C1)C)c(n2Cc1ccccc1)C

STK549601
Synonyms: 5-(4-bromophenyl)-1-(4-nitrophenyl)-3-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: Brc1ccc(cc1)N1C(=O)C2C(C1=O)C(=NN2c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK549602
Synonyms: methyl{[2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nc(SC)nc2c1c1CCCCc1s2

STK549603
Synonyms: N-{3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl}thiophene-2-carboxamide
Smiles: COc1ccccc1C(c1ccc(cc1)OC(C)C)CCNC(=O)c1cccs1

STK549604
Synonyms: methyl4-{6-[(4-chlorophenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc(cc1)Cl)nc1c2cccc1

STK549605
Synonyms: (4bR,7aS,8R)-8-[(4-methoxyphenyl)carbonyl]-6-(naphthalen-2-yl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2

STK549606
Synonyms: 2-chloro-10-[3-chloro-2,5-difluoro-6-(piperidin-1-yl)pyridin-4-yl]-10H-phenothiazine
Smiles: Clc1ccc2c(c1)N(c1c(F)c(nc(c1Cl)F)N1CCCCC1)c1c(S2)cccc1

STK549607
Synonyms: 2-(4-butoxyphenyl)-6,6-dimethyl-4-[(2-methylprop-2-en-1-yl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCCOc1ccc(cc1)c1nc(SCC(=C)C)c2c(n1)sc1c2CC(OC1)(C)C

STK549608
Synonyms: 2-(4-ethylphenyl)-5,6-diphenyl-1-(2-phenylethyl)-1H-imidazo[1,2-a]imidazole
Smiles: CCc1ccc(cc1)c1cn2c(n1CCc1ccccc1)nc(c2c1ccccc1)c1ccccc1

STK549609
Synonyms: 5-(4-fluorophenyl)-3-(3-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)[N+](=O)[O-]

STK549610
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-N-methyl-5H-pyrimido[5,4-b]indol-4-amine
Smiles: COc1cc(CCN(c2ncnc3c2[nH]c2c3cc(cc2)F)C)ccc1OC

STK549612
Synonyms: 2-amino-N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CC(CNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cccc(c1)C(F)(F)F)C

STK549614
Synonyms: N-{(Z)-(4-fluorophenyl)[(phenylsulfonyl)imino]methyl}glycine
Smiles: OC(=O)CN/C(=N\S(=O)(=O)c1ccccc1)/c1ccc(cc1)F

STK549615
Synonyms: 5-ethyl-10,10-dimethyl-3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCc1nc2sc3c(c2c2n1c(SC/C=C/c1ccccc1)nn2)CC(OC3)(C)C

STK549616
Synonyms: 3-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenyl4-nitrobenzoate
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Oc1cccc(c1)/C=N/NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N

STK549617
Synonyms: 2-(4-butoxyphenyl)-6,6-dimethyl-4-[(2-phenylethyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCCOc1ccc(cc1)c1nc(SCCc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C

STK549619
Synonyms: 11-benzyl-3-(2-methoxyphenyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COc1ccccc1n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1

STK549620
Synonyms: 2-{[(4-bromophenyl)sulfonyl]amino}-1-hexyl-N-(2-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCCCn1c(NS(=O)(=O)c2ccc(cc2)Br)c(c2c1nc1ccccc1n2)C(=O)NCCc1ccccc1

STK549621
Synonyms: methyl2-[(7-hexyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoate
Smiles: CCCCCCn1c(SC(C(=O)OC)C)nc2c1c(=O)[nH]c(=O)n2C

STK549622
Synonyms: furan-2-yl[5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Smiles: O=C(N1N=C(CC1c1ccccc1)c1cccs1)c1ccco1

STK549623
Synonyms: 4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl2,4-dichlorobenzoate
Smiles: Clc1ccc(cc1)C1Nc2ccc(cc2C2C1CC=C2)OC(=O)c1ccc(cc1Cl)Cl

STK549624
Synonyms: 2-{(2Z)-2-[3,5-bis(4-methylphenyl)cyclohex-2-en-1-ylidene]hydrazinyl}-4-phenylquinazoline
Smiles: Cc1ccc(cc1)C1C/C(=N/Nc2nc3ccccc3c(n2)c2ccccc2)/C=C(C1)c1ccc(cc1)C

STK549625
Synonyms: 1-(2-chlorophenoxy)-3-(2-methyl-1H-imidazol-1-yl)propan-2-ol
Smiles: OC(Cn1ccnc1C)COc1ccccc1Cl

STK549626
Synonyms: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1cccc(c1)n1c(/C=C/c2ccc3c(c2)OCO3)nc2c(c1=O)cc(cc2)I

STK549627
Synonyms: 2-[(4-chlorobenzyl)sulfanyl]-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: COc1cccc(c1)n1c(SCc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549628
Synonyms: 4-fluoro-N-({2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]hydrazinyl}carbonothioyl)benzamide
Smiles: S=C(NC(=O)c1ccc(cc1)F)NNC(=O)c1c(C)onc1c1ccccc1

STK549629
Synonyms: 3-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole
Smiles: Cc1ccc(cc1)n1c(SCc2cc(C)ccc2C)nnc1c1ccc(cc1)Cl

STK549630
Synonyms: [4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl](2-methylpiperidin-1-yl)methanone
Smiles: Clc1ccc(c(c1)Cl)C1Nc2ccc(cc2C2C1CC=C2)C(=O)N1CCCCC1C

STK549632
Synonyms: 6-ethyl-6-methyl-12-pentyl-9-(pentylsulfanyl)-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Smiles: CCCCCSc1nnc2n1c(=O)c1c(n2CCCCC)c2ccccc2CC1(C)CC

STK549634
Synonyms: N-(4-acetylphenyl)-2-[(7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK549636
Synonyms: (3aR,6aS)-5-(3-bromophenyl)-3-(3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Brc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1cccc(c1)[N+](=O)[O-]

STK549637
Synonyms: 2-{[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK549638
Synonyms: 4-chloro-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1N1CCN(CC1)c1cccc(c1)Cl

STK549639
Synonyms: 4-chloro-N-[3-cyano-1-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]benzenesulfonamide
Smiles: N#Cc1c(NS(=O)(=O)c2ccc(cc2)Cl)n(c2c1nc1ccccc1n2)c1ccccc1OC

STK549642
Synonyms: 2-[(E)-2-(2-methylphenyl)ethenyl]-3-(naphthalen-1-yl)quinazolin-4(3H)-one
Smiles: Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1c1cccc2c1cccc2

STK549644
Synonyms: 5-ethyl-5-methyl-3-(2-phenylethyl)-2-(propylsulfanyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Smiles: CCCSc1nc2c3ccccc3CC(c2c(=O)n1CCc1ccccc1)(C)CC

STK549645
Synonyms: (6aS,6bR,9aS,10R)-8-(2-fluorophenyl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: O=C([C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1F)C=Cc1c2cccc1)Nc1ccc(cc1)[N+](=O)[O-]

STK549646
Synonyms: 11-benzyl-2-ethyl-3-(tetrahydrofuran-2-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCc1nc2n(Cc3ccccc3)c3c(c2c(=O)n1CC1CCCO1)nc1c(n3)cccc1

STK549647
Synonyms: 4-{[(1'S,2'S,3R,3a'R)-2-oxo-2'-(pyridin-2-ylcarbonyl)-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-1'-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccccn1)C(=O)Nc1c2cccc1

STK549648
Synonyms: (4bR,7aS,8R)-6-(2-methoxy-5-nitrophenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2C=CC=N1)C(=O)c1ccccc1)[N+](=O)[O-]

STK549650
Synonyms: 3-(2-methoxybenzyl)-11-(4-methoxybenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COc1ccc(cc1)Cn1c2ncn(c(=O)c2c2c1nc1ccccc1n2)Cc1ccccc1OC

STK549651
Synonyms: 2-{[2-hydroxy-3-(2-methylphenoxy)propyl]carbamoyl}benzoicacid
Smiles: OC(CNC(=O)c1ccccc1C(=O)O)COc1ccccc1C

STK549652
Synonyms: 8-bromo-3-({(E)-[4-(decyloxy)phenyl]methylidene}amino)-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCCCCCCCCCOc1ccc(cc1)/C=N/n1c(C)nc2c(c1=O)[nH]c1c2cc(cc1)Br

STK549653
Synonyms: N-(2-ethoxyphenyl)-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccccc1Nc1nc2ccccc2n2c1=Nc1c(C2c2ccccc2)c(nn1c1ccccc1)C

STK549654
Synonyms: 9-(2-methylphenyl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8(9H)-one
Smiles: Cc1ccccc1n1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1

STK549655
Synonyms: 6-chloro-N-(4-methoxyphenyl)pyridazin-3-amine
Smiles: COc1ccc(cc1)Nc1ccc(nn1)Cl

STK549656
Synonyms: 2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Smiles: CCn1c(SCC(=O)NCCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK549657
Synonyms: 4-{4-[4-(butan-2-yl)phenoxy]-6-methyl-5-nitropyrimidin-2-yl}morpholine
Smiles: CCC(c1ccc(cc1)Oc1nc(nc(c1[N+](=O)[O-])C)N1CCOCC1)C

STK549658
Synonyms: 3-[(4-chlorobenzyl)sulfanyl]-5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)Cl)nn2)CC(OC3)C(C)C

STK549661
Synonyms: (5Z)-3-(2-chlorophenyl)-5-(2,3-dimethoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)c1ccccc1Cl

STK549662
Synonyms: 11-(2-methoxyphenyl)-10-methyl-N,8-diphenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccccc1C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccccc1)c1ccccc1

STK549663
Synonyms: N-(3-chloro-4-methylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)Cl)C)nnc1c1cccnc1

STK549665
Synonyms: 2,4-dichloro-N-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NN1C(=S)S/C(=C\c2cccc(c2)F)/C1=O

STK549667
Synonyms: 2-amino-1-[(4-hexylphenyl)sulfanyl]anthracene-9,10-dione
Smiles: CCCCCCc1ccc(cc1)Sc1c(N)ccc2c1C(=O)c1ccccc1C2=O

STK549670
Synonyms: 2-methoxyethylcyano{3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl}acetate
Smiles: COCCOC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)C(c1ccccc1)c1ccccc1)C#N

STK549673
Synonyms: 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)-1-(piperidin-1-yl)propan-1-one
Smiles: O=C(C(C(F)(F)F)(c1c[nH]c2c1cccc2)O)N1CCCCC1

STK549674
Synonyms: 2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Smiles: O=C(CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3)NCCc1ccccc1

STK549675
Synonyms: N-benzyl-2-[(2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]acetamide
Smiles: O=C(NCc1ccccc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C

STK549678
Synonyms: 1-(4-bromophenyl)-2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}ethanone
Smiles: CSc1nc(SCC(=O)c2ccc(cc2)Br)c2c(n1)sc1c2CC(OC1)(C)C

STK549679
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-9-fluoro-7-hydroxy-3-methyl-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
Smiles: COc1cc(CCNC(=O)c2c(O)c3cc(F)cc4c3n(c2=O)C(C)CC4)ccc1OC

STK549680
Synonyms: 2-(4-chlorophenyl)-5-(2-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Clc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC2c1ccccc1C

STK549681
Synonyms: ethyl4-{2-[(E)-2-(2-fluorophenyl)ethenyl]-6-iodo-4-oxoquinazolin-3(4H)-yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(/C=C/c2ccccc2F)nc2c(c1=O)cc(cc2)I

STK549683
Synonyms: 4-[(2,6-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(SCc3c(Cl)cccc3Cl)nc(nc1s2)SC

STK549684
Synonyms: (5Z)-5-[(1-{3-[4-(butan-2-yl)phenoxy]propyl}-1H-indol-3-yl)methylidene]-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC(c1ccc(cc1)OCCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccco1)C

STK549685
Synonyms: (5E)-1-tert-butyl-5-{3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-methoxybenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C/1\C(=O)NC(=O)N(C1=O)C(C)(C)C

STK549686
Synonyms: 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-8-nitro-2H-chromen-2-one
Smiles: Clc1ccc(c(c1)Cl)c1csc(n1)c1cc2cccc(c2oc1=O)[N+](=O)[O-]

STK549688
Synonyms: 4-({(E)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethenyl}amino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C/Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)/C#N

STK549689
Synonyms: (5Z)-1-(4-ethylphenyl)-5-({1-[3-(2-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccccc2C)/C1=O

STK549690
Synonyms: 2-(4-chlorophenyl)-3-[6-(2,4-dichlorophenoxy)hexyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1ccc(cc1Cl)Cl

STK549691
Synonyms: 2-{[8,8-dimethyl-11-(morpholin-4-yl)-7,10-dihydro-8H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N,N-diethylacetamide
Smiles: CCN(C(=O)CSc1nnc2n1cnc1c2sc2c1c1CC(C)(C)OCc1c(n2)N1CCOCC1)CC

STK549694
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(2-methyl-4-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Cc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2)[N+](=O)[O-]

STK549695
Synonyms: N~4~-(4-chlorophenyl)-N~2~,N~2~-dimethyl-5-nitropyrimidine-2,4,6-triamine
Smiles: Clc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N(C)C

STK549696
Synonyms: N-[(1E)-1-(3,4-diethoxyphenyl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)NC)/NC(=O)c1ccccc1

STK549697
Synonyms: 4-(benzyloxy)-N-{(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)OCc1ccccc1

STK549699
Synonyms: N,4-dibutyl-N-methyl-2,3,5a,10b-tetrahydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncnc3N(CCCC)C

STK549700
Synonyms: N~4~-(2-fluorophenyl)-N~2~-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COCCNc1nc(Nc2ccccc2F)c(c(n1)N)[N+](=O)[O-]

STK549701
Synonyms: N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]-2-(1-oxo-4-phenylphthalazin-2(1H)-yl)acetamide
Smiles: O=C(Cn1nc(c2ccccc2)c2c(c1=O)cccc2)Nc1cc(ccc1N1CCOCC1)c1nn(C)c(=O)c2c1cccc2

STK549702
Synonyms: N,N-dimethyl-N'-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)ethane-1,2-diamine
Smiles: CN(CCNc1ncnc2c1[nH]c1c2cc(cc1)C)C

STK549703
Synonyms: 3-benzyl-2-[(2,4-dichlorobenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCC3

STK549705
Synonyms: ethyl5,6-dimethoxy-3-[(3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propanoyl)amino]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)C/C=C/c1ccccc1)cc(c(c2)OC)OC

STK549706
Synonyms: (2E)-3-{[2-(difluoromethoxy)phenyl]amino}-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1OC(F)F)/c1scc(n1)c1ccc(c(c1)OC)OC

STK549707
Synonyms: 3-(2-chlorophenyl)-6-iodo-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc(o1)[N+](=O)[O-])c1ccccc1Cl

STK549708
Synonyms: 1-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c2nc3ccccc3nc2n(c1N)c1cc(C)cc(c1)C

STK549709
Synonyms: 2-{5-[(Z)-{4,6-dioxo-1-[4-(propan-2-yl)phenyl]-2-thioxotetrahydropyrimidin-5(2H)-ylidene}methyl]-2-methoxybenzyl}-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)C(C)C

STK549710
Synonyms: (2E)-3-(4-methoxyphenyl)-N-[(2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]prop-2-enamide
Smiles: COc1ccc(cc1)/C=C/C(=O)NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK549711
Synonyms: 2-hydrazinyl-3-(4-methylphenyl)quinoxaline
Smiles: NNc1nc2ccccc2nc1c1ccc(cc1)C

STK549712
Synonyms: 3-chloro-N-(2-{(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl}-2-oxoethyl)benzamide(non-preferredname)
Smiles: O=C(N/N=C(/c1ccco1)\C)CNC(=O)c1cccc(c1)Cl

STK549713
Synonyms: 4-{6-[(4-chlorophenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}-2-methoxyphenol
Smiles: COc1cc(ccc1O)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)Cl)c1ccccc1

STK549714
Synonyms: 1-(4-{3-sulfanyl-5-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-4-yl}phenyl)ethanone
Smiles: CC(=O)c1ccc(cc1)n1c(S)nnc1c1[nH]nc(c1)c1cccs1

STK549715
Synonyms: (5E)-1-(2-ethylphenyl)-5-[(1-methyl-1H-indol-3-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(c3c2cccc3)C)/C1=O

STK549717
Synonyms: (4Z)-4-[(2E)-3-(4-nitrophenyl)prop-2-en-1-ylidene]-2-(thiophen-2-yl)-1,3-oxazol-5(4H)-one
Smiles: O=C1OC(=N/C/1=C\C=C\c1ccc(cc1)[N+](=O)[O-])c1cccs1

STK549718
Synonyms: 2-[(4-fluorobenzyl)sulfanyl]-6,8-diphenyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: Fc1ccc(cc1)CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1

STK549720
Synonyms: 2-[(4-amino-6-propyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCC(=O)Nc1ccc(cc1)C

STK549722
Synonyms: N-[(4E)-6-(1,3-benzodioxol-5-yl)-8-ethoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-ylidene]-N'-phenylbenzene-1,4-diamine
Smiles: CCOc1cc(c/c(=N\c2ccc(cc2)Nc2ccccc2)/c2c1c(C)oc2C)c1ccc2c(c1)OCO2

STK549723
Synonyms: N-[(1E)-3-{[2-(1H-indol-3-yl)ethyl]amino}-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Smiles: Cc1ccc(cc1)/C=C(\C(=O)NCCc1c[nH]c2c1cccc2)/NC(=O)c1ccc(cc1)C

STK549724
Synonyms: 12-(2-methylbenzyl)-9-[(2-methylbenzyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
Smiles: Cc1ccccc1CSc1nnc2n1c(=O)c1c(n2Cc2ccccc2C)c2ccccc2CC21CCCC2

STK549725
Synonyms: 2-amino-1-(3,4-dichlorophenyl)-N-(3-methoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)Cl)Cl

STK549726
Synonyms: 3-(benzylsulfanyl)-10-butyl-7,8,9,11a-tetrahydro-6bH-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncn1c3nnc1SCc1ccccc1

STK549727
Synonyms: 3-(2-methylpropyl)-2-(propan-2-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CC(Sc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3)C

STK549728
Synonyms: 2-[4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl]-N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]acetamide
Smiles: O=C(Cn1nc(c2ccc(cc2)Cl)c2c(c1=O)cccc2)Nc1cc(ccc1N1CCOCC1)c1nn(C)c(=O)c2c1cccc2

STK549729
Synonyms: N'-[(1E)-1-(3,4-dimethoxyphenyl)ethylidene]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetohydrazide
Smiles: COc1cc(ccc1OC)/C(=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)/C

STK549732
Synonyms: N'-[(1Z)-1-(biphenyl-4-yl)ethylidene]-2-({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccc(cc1)C)N/N=C(\c1ccc(cc1)c1ccccc1)/C

STK549733
Synonyms: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: Cc1cccc(c1)n1c(SCC(=O)c2ccc(cc2)Br)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549734
Synonyms: 6-iodo-3-(2-methyl-5-nitrophenyl)-2-[(E)-2-(pyridin-3-yl)ethenyl]quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1cccnc1)c1cc(ccc1C)[N+](=O)[O-]

STK549735
Synonyms: 2-bromo-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: S=C1S/C(=C\c2cccs2)/C(=O)N1NC(=O)c1ccccc1Br

STK549736
Synonyms: 1-(dimethylamino)-3-(2,4,6-trichlorophenoxy)propan-2-ol
Smiles: OC(CN(C)C)COc1c(Cl)cc(cc1Cl)Cl

STK549737
Synonyms: 8-[(4-chlorobenzyl)sulfanyl]-5-(furan-2-yl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: Clc1ccc(cc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK549739
Synonyms: 11-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-pentyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2

STK549741
Synonyms: N-(4-fluorophenyl)-2-(pyridin-2-yl)quinazolin-4-amine
Smiles: Fc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccccn1

STK549744
Synonyms: 2-{4-[(5-chloro-2-methoxyphenyl)amino]quinazolin-2-yl}-6-methoxyphenol
Smiles: COc1ccc(cc1Nc1nc(nc2c1cccc2)c1cccc(c1O)OC)Cl

STK549745
Synonyms: 2-[(3-ethyl-6-iodo-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)C)nc2c(c1=O)cc(cc2)I

STK549746
Synonyms: 4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2,6-dimethoxyphenylacetate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2COc2ccccc2)c2nonc2N)cc(c1OC(=O)C)OC

STK549747
Synonyms: N-(2-methoxyphenyl)-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccccc1NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCC3

STK549749
Synonyms: 2-(methoxycarbonyl)phenyl1-chloro-4-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylate
Smiles: COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C(Cl)C(CC1C(N2)c1ccc(cc1)Cl)Sc1ccccc1[N+](=O)[O-]

STK549751
Synonyms: (2'R,3'R)-3'-[(4-methoxyphenyl)carbonyl]-2'-phenyl-2',3'-dihydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-1,3-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccccc1)C(=O)c1c(C2=O)cccc1)cccc3

STK549752
Synonyms: N-(2,4-dichlorophenyl)-2-{[2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3SCC(=O)Nc1ccc(cc1Cl)Cl)C

STK549754
Synonyms: (5Z)-5-({1-[2-(3,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-(4-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Fc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2cc(C)cc(c2)C)/C1=O

STK549755
Synonyms: N-(2,5-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]-4-methylbenzenesulfonamide
Smiles: CN(CC(CN(S(=O)(=O)c1ccc(cc1)C)c1cc(Cl)ccc1Cl)O)C

STK549756
Synonyms: 9-(2-methoxyphenyl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8(9H)-one
Smiles: COc1ccccc1n1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1

STK549757
Synonyms: (2E)-2-[(5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(3-chlorophenyl)-2-cyanoethanamide
Smiles: COc1cc(cc(c1O)Br)/C=c\1/s/c(=C(/C(=O)Nc2cccc(c2)Cl)\C#N)/n(c1=O)c1ccccc1

STK549758
Synonyms: 4-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoicacid
Smiles: S=C1S/C(=C\c2cccs2)/C(=O)N1c1ccc(cc1)C(=O)O

STK549759
Synonyms: 3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile
Smiles: CCCCSC1(SCCCC)N=C(C2(C1(C#N)C1CCC2C=C1)C#N)N

STK549760
Synonyms: propan-2-yl2-amino-1-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)Cl)F)C