FULL DB

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

STK525009
Synonyms: 6-(dibutylamino)-3,3-dimethyl-8-(propan-2-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CCCCN(c1nc(C(C)C)c2c(c1C#N)CC(OC2)(C)C)CCCC

STK525010
Synonyms: 7-tert-butyl-2-[(4-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Smiles: Cc1ccc(cc1)CSc1nc(N)c2c(n1)sc1c2CCC(C1)C(C)(C)C

STK525011
Synonyms: (2S,3S,12aR)-2-phenyl-3-(phenylcarbonyl)-2,3-dihydrobenzo[f]pyrrolo[1,2-a]quinoline-1,1(12aH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@H]2C=Cc3c(N2[C@@H]([C@H]1c1ccccc1)C(=O)c1ccccc1)ccc1c3cccc1

STK525012
Synonyms: (2E,4E)-3-methyl-5-(naphthalen-2-yl)penta-2,4-dienoicacid
Smiles: OC(=O)/C=C(/C=C/c1ccc2c(c1)cccc2)\C

STK525013
Synonyms: (3Z)-3-[2-(4-nitrophenyl)hydrazinylidene]-1,3-dihydro-2H-[1]benzofuro[3,2-f]indol-2-one
Smiles: O=C1Nc2c(/C/1=N/Nc1ccc(cc1)[N+](=O)[O-])cc1c(c2)oc2c1cccc2

STK525014
Synonyms: 7-tert-butyl-2-[(3-methylbutyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: C=CCn1c(SCCC(C)C)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)C

STK525015
Synonyms: N-benzyl-N-(cyclohexylmethyl)benzamide
Smiles: O=C(c1ccccc1)N(Cc1ccccc1)CC1CCCCC1

STK525017
Synonyms: 1-(benzylsulfanyl)-8-methyl-4-phenyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c2n1c(SCc1ccccc1)nn2)c1ccccc1

STK525019
Synonyms: 3-benzyl-7-(2-bromobenzyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane
Smiles: Brc1ccccc1CN1CC2(C)CN(CC(C1)(C2)C)Cc1ccccc1

STK525020
Synonyms: (5Z)-5-{3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-methoxybenzylidene}-1-(2-ethoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)/C1=O

STK525021
Synonyms: (2S,3R,10bS)-3-[(4-fluorophenyl)carbonyl]-2-(thiophen-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2ccsc2)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)c1ccc(cc1)F

STK525024
Synonyms: (4E)-4-benzylidene-11-phenyl-1,2,3,4,11,11a-hexahydrodibenzo[b,e][1,4]thiazepine
Smiles: c1ccc(cc1)/C=C/1\CCCC2C1=Nc1ccccc1SC2c1ccccc1

STK525026
Synonyms: 2-[(2,4-dimethylbenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: Cc1ccc(c(c1)C)CSc1nc(N)c2c(n1)sc1c2CC(OC1)(C)C

STK525030
Synonyms: 6-methyl-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
Smiles: N#Cc1c(SC/C=C/c2ccccc2)nc2c(c1c1ccsc1)CN(CC2)C

STK525031
Synonyms: ethyl1-{[(E)-ethoxymethylidene]amino}-8,8-dimethyl-5-(2-methylpropyl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate
Smiles: CCOC(=O)c1sc2c(c1/N=C/OCC)c1CC(C)(C)OCc1c(n2)CC(C)C

STK525033
Synonyms: 9-amino-5-methyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8(9H)-one
Smiles: Cc1nc2sc3c(c2c2c1CCCC2)ncn(c3=O)N

STK525034
Synonyms: 3'-ethyl-1',3'-dimethyl-1',3'-dihydrospiro[benzo[f]chromene-3,2'-indole]
Smiles: CCC1(C)c2ccccc2N(C21C=Cc1c(O2)ccc2c1cccc2)C

STK525037
Synonyms: 7-tert-butyl-2-(ethylsulfanyl)-3-(2-methylprop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCC(C3)C(C)(C)C

STK525038
Synonyms: 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2H-chromen-2-imine
Smiles: Clc1ccc(cc1)c1csc(n1)c1cc2ccccc2oc1=N

STK525039
Synonyms: 8-ethyl-3,3-dimethyl-6-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)CC)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK525040
Synonyms: (4R,5R,6S)-3-cyano-2-(cyanoamino)-6-hydroxy-4-phenyl-5-(pyridinium-1-yl)-6-(thiophen-2-yl)piperidin-2-ide
Smiles: N#CC1[C-](NC#N)N[C@@]([C@@H]([C@H]1c1ccccc1)[n+]1ccccc1)(O)c1cccs1

STK525041
Synonyms: N-[(1Z)-1-(9-methyl-9H-carbazol-3-yl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]benzamide
Smiles: O=C(/C(=C/c1ccc2c(c1)c1ccccc1n2C)/NC(=O)c1ccccc1)N1CCOCC1

STK525042
Synonyms: N-{2-[(2E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl]-2-oxoethyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide(non-preferredname)
Smiles: COc1ccc(cc1/C=N/NC(=O)CNC(=O)C1COc2c(O1)cccc2)Br

STK525044
Synonyms: {(2Z)-2-[(2E)-{1-[4-(2-methylpropoxy)phenyl]ethylidene}hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl}aceticacid
Smiles: CC(COc1ccc(cc1)/C(=N/N=C\1/NC(=O)C(S1)CC(=O)O)/C)C

STK525046
Synonyms: 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-N-(3,4-dimethoxybenzyl)ethanamine
Smiles: COc1cc(CNCCC2(Cc3ccccc3)CC(C)N(CC2C)C)ccc1OC

STK525048
Synonyms: N-(diphenylmethyl)-N~2~,N~2~-bis(2-hydroxy-3-phenoxypropyl)glycinamide
Smiles: OC(CN(CC(=O)NC(c1ccccc1)c1ccccc1)CC(COc1ccccc1)O)COc1ccccc1

STK525049
Synonyms: benzyl4-({(2Z)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}amino)butanoate
Smiles: O=C(OCc1ccccc1)CCCNC(=O)/C(=C/c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccccc1

STK525050
Synonyms: 1,3,5-tribenzyl-1,3,5-triazinane
Smiles: c1ccc(cc1)CN1CN(CN(C1)Cc1ccccc1)Cc1ccccc1

STK525051
Synonyms: (2E,4E)-1-(4-chlorophenyl)-3,4-dihydroxy-6-phenylhexa-2,4-diene-1,6-dione
Smiles: Clc1ccc(cc1)C(=O)/C=C(\C(=C/C(=O)c1ccccc1)\O)/O

STK525052
Synonyms: 1-(heptylsulfanyl)-4,7,7-trimethyl-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: CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC(OC3)(C)C

STK525053
Synonyms: ethyl6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CCl)OC(=C(C1c1ccc(cc1)SC)C#N)N

STK525054
Synonyms: 4-(4-methoxyphenyl)-1-(prop-2-en-1-ylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: C=CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

STK525055
Synonyms: 2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCSc1nc(N)c2c(n1)sc1c2CC(OC1)(C)C

STK525057
Synonyms: 2-chloro-N-[3-cyano-1-(2-phenylethyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]benzamide
Smiles: N#Cc1c(NC(=O)c2ccccc2Cl)n(c2c1nc1ccccc1n2)CCc1ccccc1

STK525058
Synonyms: diethyl[(1E)-2-amino-N-{[(3-nitrophenyl)carbonyl]oxy}-2-oxoethanimidoyl]phosphonate
Smiles: CCOP(=O)(/C(=N/OC(=O)c1cccc(c1)[N+](=O)[O-])/C(=O)N)OCC

STK525060
Synonyms: N,N-diethyl-N'-(5-methyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)ethane-1,2-diamine
Smiles: CCN(CCNc1ncnc2c1sc1c2c2CCCCc2c(n1)C)CC

STK525061
Synonyms: 3-chloro-7-ethyl-1-(morpholin-4-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: CCN1CCc2c(C1)c(nc(c2C#N)Cl)N1CCOCC1

STK525062
Synonyms: propan-2-yl4-{[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}-3-oxobutanoate
Smiles: N#Cc1c(SCC(=O)CC(=O)OC(C)C)nc(cc1c1ccccc1)c1ccc(cc1)F

STK525063
Synonyms: ethyl2-{[(2Z)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoyl]amino}-4-(4-fluorophenyl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)F)NC(=O)/C(=C\c1ccc(cc1)O)/C#N

STK525064
Synonyms: 9,9'-(piperazine-1,4-diyldibut-2-yne-4,1-diyl)bis(9H-fluoren-9-ol)
Smiles: OC1(CC#CCN2CCN(CC2)CC#CCC2(O)c3ccccc3c3c2cccc3)c2ccccc2c2c1cccc2

STK525065
Synonyms: 2-(chloromethyl)-1-(4-methoxybenzyl)-1H-imidazole
Smiles: COc1ccc(cc1)Cn1ccnc1CCl

STK525066
Synonyms: ethyl2-{[(2,6-dichlorophenyl)acetyl]amino}-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Cc2c(Cl)cccc2Cl)sc2c1CC(C)(C)OC2

STK525068
Synonyms: N-hexyl-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-amine
Smiles: CCCCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK525069
Synonyms: 3,5-dibromo-N-(2-chloro-5-methoxyphenyl)-2-hydroxybenzamide
Smiles: COc1ccc(c(c1)NC(=O)c1cc(Br)cc(c1O)Br)Cl

STK525070
Synonyms: N-1,3-benzodioxol-5-yl-N~2~,N~2~-diethylglycinamide
Smiles: CCN(CC(=O)Nc1ccc2c(c1)OCO2)CC

STK525071
Synonyms: (4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CN(CC2)C(C)C)c1cccnc1)(C#N)C#N

STK525072
Synonyms: ethyl1-amino-5-propyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c1CCCCc1c(n2)CCC

STK525073
Synonyms: N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(3-phenylpropyl)piperidine-3-carboxamide
Smiles: COc1ccc(cc1OCC(C)C)NC(=O)C1CCCN(C1)CCCc1ccccc1

STK525074
Synonyms: 4-benzyl-8-tert-butyl-1-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: O=c1c2c3CCC(Cc3sc2n2c(n1Cc1ccccc1)nnc2C)C(C)(C)C

STK525075
Synonyms: methyl1-amino-5-(piperidin-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
Smiles: COC(=O)c1sc2c(c1N)c1CCCCc1c(n2)N1CCCCC1

STK525078
Synonyms: 4,5-dichlorobenzene-1,3-dicarbaldehyde
Smiles: O=Cc1cc(C=O)c(c(c1)Cl)Cl

STK525079
Synonyms: 6-(ethylsulfanyl)-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(SC2)(C)C

STK525080
Synonyms: diethyl5-(decanoylamino)-3-methylthiophene-2,4-dicarboxylate
Smiles: CCCCCCCCCC(=O)Nc1sc(c(c1C(=O)OCC)C)C(=O)OCC

STK525081
Synonyms: 6-(benzylamino)-3,3-dimethyl-8-phenyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(NCc2ccccc2)nc(c2c1CC(C)(C)SC2)c1ccccc1

STK525084
Synonyms: (E)-N-hydroxy-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanimine
Smiles: O/N=C(/C12CN3CN(C2)CN(C1)C3)\c1ccccc1

STK525085
Synonyms: 4-[(Z)-2-chloro-1,2-diphenylethenyl]phenol
Smiles: Oc1ccc(cc1)/C(=C(/c1ccccc1)\Cl)/c1ccccc1

STK525086
Synonyms: 2,2'-bis[4-(thiomorpholin-4-yl)phenyl]-1H,1'H-2,2'-biindene-1,1',3,3'(2H,2'H)-tetrone
Smiles: O=C1c2ccccc2C(=O)C1(c1ccc(cc1)N1CCSCC1)C1(c2ccc(cc2)N2CCSCC2)C(=O)c2c(C1=O)cccc2

STK525087
Synonyms: (5E)-3-[3-(2-chloro-10H-phenothiazin-10-yl)-3-oxopropyl]-5-(2-methoxybenzylidene)-1,3-thiazolidine-2,4-dione
Smiles: COc1ccccc1/C=C\1/SC(=O)N(C1=O)CCC(=O)N1c2ccccc2Sc2c1cc(Cl)cc2

STK525088
Synonyms: 5-ethyl-2,2-dimethyl-8-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3N1CCOCC1

STK525091
Synonyms: 5-ethyl-2,2-dimethyl-8-(piperidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3N1CCCCC1

STK525093
Synonyms: N-carbamoyl-2-(4-iminoquinolin-1(4H)-yl)acetamide
Smiles: O=C(Cn1ccc(=N)c2c1cccc2)NC(=O)N

STK525095
Synonyms: 3,5-di-tert-butyl-4-hydroxybenzyl(2Z)-4-(dimethylamino)-4-oxobut-2-enoate
Smiles: O=C(OCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/C=C\C(=O)N(C)C

STK525096
Synonyms: N'-[(1E)-2-[(5-ethyl-4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-1-(3-nitrophenyl)ethylidene]-4-hydroxybenzohydrazide
Smiles: CCc1c(C)nc(nc1O)SC/C(=N/NC(=O)c1ccc(cc1)O)/c1cccc(c1)[N+](=O)[O-]

STK525097
Synonyms: 8,10-dihydrazinyl-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]pyrimidine
Smiles: NNc1nc(NN)nc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK525099
Synonyms: 6-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]hexanoicacid
Smiles: OC(=O)CCCCCNS(=O)(=O)c1cccc2c1nsn2

STK525100
Synonyms: 2,9,9-trimethyl-4-phenyl-4,7,9,10-tetrahydro-3H,11H-thiopyrano[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11-dione
Smiles: Cc1nn2c(=O)c3c(nc2n(c1=O)c1ccccc1)sc1c3CC(C)(C)SC1

STK525101
Synonyms: 5-[(S)-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl](pyridinium-4-yl)methyl]-1-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: Cc1ccccc1n1c(=O)[nH]c(=O)c(c1O)[C@@H](c1c([O-])[nH]c(=O)n(c1=O)c1ccccc1C)c1cc[nH+]cc1

STK525103
Synonyms: ethyl6-amino-4-(2-bromophenyl)-5-cyano-2-({[3-cyano-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]sulfanyl}methyl)-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc3CCN(Cc3c(c2C#N)c2cccs2)C)OC(=C(C1c1ccccc1Br)C#N)N

STK525104
Synonyms: N-(1,3-benzothiazol-2-yl)-2-{[3-cyano-4-(2-methoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)Nc2nc3c(s2)cccc3)nc(cc1c1ccccc1OC)c1cccs1

STK525106
Synonyms: 5-ethyl-N-hexyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
Smiles: CCCCCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)CC

STK525108
Synonyms: 8-(furan-2-yl)-3,3-dimethyl-6-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)c1ccco1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK525109
Synonyms: (5-benzyl-5H-1-thia-3,4,5,8-tetraazaacenaphthylen-2-yl)(4-nitrophenyl)methanone
Smiles: O=C(c1sc2c3c1nnn(c3ccn2)Cc1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK525113
Synonyms: propan-2-yl6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(thiophen-2-yl)-4H-pyran-3-carboxylate
Smiles: N#CC1=C(N)OC(=C(C1c1cccs1)C(=O)OC(C)C)CSc1nc(C)c(c(c1C#N)C)C

STK525114
Synonyms: 3-[(3-hydroxypropyl)amino]-7-methyl-1-(pentylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: CCCCCNc1nc(NCCCO)c(c2c1CN(C)CC2)C#N

STK525115
Synonyms: 2-amino-1-(4-cyanophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile
Smiles: N#Cc1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)C#N

STK525116
Synonyms: 2,2,6,6-tetramethyl-1-nitrosopiperidin-4-one
Smiles: O=NN1C(C)(C)CC(=O)CC1(C)C

STK525117
Synonyms: 6-methyl-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
Smiles: N#Cc1c(SC/C=C/c2ccccc2)nc2c(c1c1cccs1)CN(CC2)C

STK525118
Synonyms: diethyl[(E)-({[(4-chlorophenyl)carbamoyl]oxy}imino)(cyano)methyl]phosphonate
Smiles: CCOP(=O)(/C(=N/OC(=O)Nc1ccc(cc1)Cl)/C#N)OCC

STK525119
Synonyms: ethyl(2Z)-2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)[N+](=O)[O-])c(=O)/c(=C/c1cn(nc1c1ccc(cc1)Cl)c1ccccc1)/s2

STK525122
Synonyms: N-[5-(3-methylbenzyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
Smiles: O=C(Nc1ncc(s1)Cc1cccc(c1)C)COc1cccc(c1)C(F)(F)F

STK525123
Synonyms: 2-amino-5-oxo-4-[3-(trifluoromethyl)phenyl]-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccc(c1)C(F)(F)F)c(=O)oc1c2cccc1

STK525124
Synonyms: ethyl5-(acetyloxy)-6-bromo-2-({[6-(but-3-en-1-yl)-3-cyanopyridin-2-yl]sulfanyl}methyl)-1-methyl-1H-indole-3-carboxylate
Smiles: C=CCCc1ccc(c(n1)SCc1n(C)c2c(c1C(=O)OCC)cc(c(c2)Br)OC(=O)C)C#N

STK525125
Synonyms: 5-(4-ethoxybenzyl)-2-(methylsulfanyl)pyrimidine-4,6-diol
Smiles: CCOc1ccc(cc1)Cc1c(O)nc(nc1O)SC

STK525126
Synonyms: N'-[(E)-(2-chlorophenyl)methylidene]-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
Smiles: O=C(c1ccc(=O)[nH]n1)N/N=C/c1ccccc1Cl

STK525127
Synonyms: 4-chloro-2-{(E)-[(4-phenyl-1-{[(1E)-1-phenylethylidene]amino}-1H-imidazol-2-yl)imino]methyl}phenol
Smiles: Clc1ccc(c(c1)/C=N/c1nc(cn1/N=C(/c1ccccc1)\C)c1ccccc1)O

STK525128
Synonyms: (3-nitrophenyl)(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)methanone
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])c1ccc2c(c1)OCCOCCOCCOCCO2

STK525129
Synonyms: 3-methyl-1,4-bis(morpholin-4-ylmethyl)-3-(4-propoxyphenyl)pyrrolidine-2,5-dione
Smiles: CCCOc1ccc(cc1)C1(C)C(CN2CCOCC2)C(=O)N(C1=O)CN1CCOCC1

STK525130
Synonyms: 3-[1-(dimethylamino)cyclopentyl]-1,1-diphenylprop-2-yn-1-ol
Smiles: CN(C1(CCCC1)C#CC(c1ccccc1)(c1ccccc1)O)C

STK525131
Synonyms: [(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)methyl][4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide
Smiles: COc1nc(NC(C)C)nc(n1)N(CN1C(=O)c2c(S1(=O)=O)cccc2)C#N

STK525134
Synonyms: 8-tert-butyl-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)n1c(=O)c2c3CCC(Cc3sc2n2c1nnc2)C(C)(C)C

STK525135
Synonyms: N-[4-oxo-2-(phenylamino)-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl]benzamide
Smiles: O=C(c1ccccc1)Nn1c(Nc2ccccc2)nc2c(c1=O)c1CCCc1s2

STK525139
Synonyms: 8-methyl-1-[(2-methylprop-2-en-1-yl)sulfanyl]-4-phenyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC(=C)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCN(C3)C

STK525141
Synonyms: 4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-ylN-[(benzyloxy)carbonyl]-beta-alaninate
Smiles: O=C(OCc1ccccc1)NCCC(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C(F)(F)F

STK525142
Synonyms: 1,10-bis(3,4,5-trichlorothiophen-2-yl)decane-1,10-dione
Smiles: O=C(c1sc(c(c1Cl)Cl)Cl)CCCCCCCCC(=O)c1sc(c(c1Cl)Cl)Cl

STK525143
Synonyms: 1-methyl-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)c2c3CCCc3sc2n2c1nnc2C

STK525144
Synonyms: N'-{(E)-[2-(benzyloxy)-5-bromophenyl]methylidene}-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]acetohydrazide
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)Cn1c(nc2c1cccc2)c1ccccn1)OCc1ccccc1

STK525145
Synonyms: 8-(furan-2-yl)-6-[(2-hydroxyethyl)amino]-3,3-dimethyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: OCCNc1nc(c2ccco2)c2c(c1C#N)CC(SC2)(C)C

STK525146
Synonyms: 7-[(dimethylamino)methyl]-2-methyl-1-(4-methylphenyl)-3-nitro-1H-indol-6-ol
Smiles: CN(Cc1c(O)ccc2c1n(c1ccc(cc1)C)c(c2[N+](=O)[O-])C)C

STK525147
Synonyms: N-(butan-2-yl)-5-butyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CCCCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3NC(CC)C

STK525148
Synonyms: ethyl(2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-3-oxo-2-(2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCCN1c2ccccc2/C(=c\2/sc3=NC(=C(C(n3c2=O)c2ccc(cc2)OC(=O)C)C(=O)OCC)C)/C1=O

STK525149
Synonyms: 4-(2-methoxyphenyl)-1-[(3-methylbutyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: COc1ccccc1n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCCC(C)C

STK525150
Synonyms: ethyl5-methyl-3-{[(phenylsulfanyl)acetyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CSc1ccccc1)cc(cc2)C

STK525151
Synonyms: (2R,3R,10bS)-2-(thiophen-2-yl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2cccs2)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3

STK525153
Synonyms: 6-[(E)-{2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinylidene}methyl]-2,3-dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)/C=N/NC(=O)CCCOc1ccc(cc1Cl)Cl

STK525154
Synonyms: (3R,10bS)-3-[(4-fluorophenyl)carbonyl]-2-(thiophen-2-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Smiles: N#CC1(C#N)C(c2cccs2)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)c1ccc(cc1)F

STK525155
Synonyms: 3-methylbutyl6-[(5E)-5-{3-[6-(3-methylbutoxy)-6-oxohexyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
Smiles: CC(CCOC(=O)CCCCCN1C(=S)S/C(=C\2/SC(=S)N(C2=O)CCCCCC(=O)OCCC(C)C)/C1=O)C

STK525158
Synonyms: 4,7,7-trimethyl-1-[(2-methylprop-2-en-1-yl)sulfanyl]-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC(=C)CSc1nnc2n1c1sc3c(c1c(=O)n2C)CC(OC3)(C)C

STK525160
Synonyms: (1S,2S,3aR)-1-[(4-fluorophenyl)carbonyl]-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: COc1ccc(cc1)[C@@H]1[C@@H](C(=O)c2ccc(cc2)F)N2[C@@H](C1(C#N)C#N)C=Cc1c2cccc1

STK525162
Synonyms: 1-butyl-3-[2-(morpholin-4-yl)ethyl]urea
Smiles: CCCCNC(=O)NCCN1CCOCC1

STK525163
Synonyms: N-[(1E)-3-[(4-methoxyphenyl)amino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Smiles: COc1ccc(cc1)NC(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccccc1

STK525164
Synonyms: 6-amino-1-phenyl-4-(pyridin-3-yl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccnc1)c(nn2c1ccccc1)C(F)(F)F

STK525166
Synonyms: (1,4-dioxidoquinoxaline-2,3-diyl)dimethanediyldiacetate
Smiles: CC(=O)OCc1[n+]([O-])c2ccccc2[n+](c1COC(=O)C)[O-]

STK525167
Synonyms: ethyl2-{[(4-methoxyphenyl)carbamothioyl]amino}-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate
Smiles: CCOC(=O)c1cc2COC(Cc2nc1NC(=S)Nc1ccc(cc1)OC)(C)C

STK525169
Synonyms: 2,2,4,5,5-pentamethyl-2,5-dihydro-1H-imidazol-1-ol3-oxide
Smiles: CC1=[N+]([O-])C(N(C1(C)C)O)(C)C

STK525170
Synonyms: dipropan-2-yl{(1Z)-2-amino-N-[(methylcarbamoyl)oxy]-2-oxoethanimidoyl}phosphonate
Smiles: CNC(=O)O/N=C(\P(=O)(OC(C)C)OC(C)C)/C(=O)N

STK525171
Synonyms: 8-ethyl-3,3-dimethyl-6-[4-(phenylcarbonyl)piperazin-1-yl]-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)CC)N1CCN(CC1)C(=O)c1ccccc1

STK525172
Synonyms: [1-amino-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-thieno[2,3-b]thiopyrano[4,3-d]pyridin-2-yl](4-bromophenyl)methanone
Smiles: Brc1ccc(cc1)C(=O)c1sc2c(c1N)c1CC(C)(C)SCc1c(n2)N1CCOCC1

STK525173
Synonyms: 1,3-bis(2,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione
Smiles: Clc1ccc(c(c1)Cl)Cn1cc(F)c(=O)n(c1=O)Cc1ccc(cc1Cl)Cl

STK525174
Synonyms: (diphenylphosphoryl)(pyridin-2-yl)methanol
Smiles: OC(P(=O)(c1ccccc1)c1ccccc1)c1ccccn1

STK525175
Synonyms: (1E)-6-cyclohexyl-1-hydrazinylidene-2,3,4,9-tetrahydro-1H-carbazole
Smiles: N/N=C/1\CCCc2c1[nH]c1c2cc(cc1)C1CCCCC1

STK525177
Synonyms: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hexylurea
Smiles: CCCCCCNC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK525178
Synonyms: [(2E)-4-oxo-2-{(2Z)-[1-(4-propoxyphenyl)ethylidene]hydrazinylidene}-1,3-thiazolidin-5-yl]aceticacid
Smiles: CCCOc1ccc(cc1)/C(=N\N=C\1/NC(=O)C(S1)CC(=O)O)/C

STK525180
Synonyms: 6-(benzylamino)-8-butyl-3,3-dimethyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CCCCc1nc(NCc2ccccc2)c(c2c1CSC(C2)(C)C)C#N

STK525181
Synonyms: N'-[(1E)-1-(4-chlorophenyl)ethylidene]-2-methoxyacetohydrazide
Smiles: COCC(=O)N/N=C(/c1ccc(cc1)Cl)\C

STK525183
Synonyms: 1,1'-propane-1,3-diyldicyclopropanol
Smiles: OC1(CCCC2(O)CC2)CC1

STK525184
Synonyms: 4-(3,4-dimethoxyphenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile
Smiles: COc1ccc(cc1)C(=O)CSc1nc(cc(c1C#N)c1ccc(c(c1)OC)OC)c1cccs1

STK525185
Synonyms: 4-{[(2-methylpropoxy)carbonyl]amino}benzoicacid
Smiles: CC(COC(=O)Nc1ccc(cc1)C(=O)O)C

STK525186
Synonyms: N-benzyl-2-{[(2Z)-3-bromo-6-oxo-6,11-dihydro-2H-pyrimido[2,1-b]quinazolin-2-ylidene]amino}benzamide
Smiles: O=C(c1ccccc1/N=c/1\nc2[nH]c3ccccc3c(=O)n2cc1Br)NCc1ccccc1

STK525188
Synonyms: (1Z)-1-(4-heptylphenyl)-N-hydroxyethanimine
Smiles: CCCCCCCc1ccc(cc1)/C(=N\O)/C

STK525191
Synonyms: 3,5-di-tert-butyl-4-hydroxybenzylbenzoate
Smiles: O=C(c1ccccc1)OCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK525192
Synonyms: 3,3-dimethyl-8-(propan-2-yl)-6-[(tetrahydrofuran-2-ylmethyl)amino]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(NCC2CCCO2)nc(c2c1CC(C)(C)OC2)C(C)C

STK525195
Synonyms: ethyl4-(4-bromophenyl)-2-({(2E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}amino)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)Br)NC(=O)/C(=C/c1ccc(cc1)N(C)C)/C#N

STK525196
Synonyms: 2-(2,2-dicyanoethenyl)-1-methyl-1H-indol-3-yl4-methylbenzenesulfonate
Smiles: N#CC(=Cc1c(OS(=O)(=O)c2ccc(cc2)C)c2c(n1C)cccc2)C#N

STK525197
Synonyms: 6-({(2E)-3-(2-fluorophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}amino)hexanoicacid
Smiles: OC(=O)CCCCCNC(=O)/C(=C\c1ccccc1F)/NC(=O)c1ccccc1

STK525198
Synonyms: N,N'-dicyclohexyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarbothioamide
Smiles: S=C(N1CCOCCN(CCOCCOCC1)C(=S)NC1CCCCC1)NC1CCCCC1

STK525199
Synonyms: N-(dipropan-2-ylphosphorothioyl)-N,N'-dimethylbenzenecarboximidamide
Smiles: C/N=C(/N(P(=S)(C(C)C)C(C)C)C)\c1ccccc1

STK525203
Synonyms: (1S,8aS)-4-amino-1-(2-fluorophenyl)-6,7,8,8a-tetrahydronaphthalene-2,2,3(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C2=CCCC[C@H]2[C@@H](C1(C#N)C#N)c1ccccc1F

STK525204
Synonyms: 2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one
Smiles: O=C1C(=C(C(C)(C)C)C2(C=C1C(C)(C)C)Oc1c(O2)cc(cc1C(C)(C)C)C(C)(C)C)O

STK525205
Synonyms: 1-[1-{5-[(2Z)-2-(4-chlorobenzylidene)hydrazinyl]-5-oxopentyl}-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea
Smiles: O=C(N/N=C\c1ccc(cc1)Cl)CCCCN1C(=O)N(C(C1(C)C)N(C(=O)Nc1cccc(c1)Cl)O)c1cccc(c1)Cl

STK525207
Synonyms: 4-(1,3-benzothiazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine
Smiles: Cc1c(C)sc2c1c(ncn2)Sc1nc2c(s1)cccc2

STK525208
Synonyms: dipropan-2-yl(2-amino-1-{[(2-chloro-4-nitrophenyl)carbonyl]amino}-2-oxoethyl)phosphonate
Smiles: CC(OP(=O)(C(C(=O)N)NC(=O)c1ccc(cc1Cl)[N+](=O)[O-])OC(C)C)C

STK525211
Synonyms: 2,6-di-tert-butyl-4-[(propan-2-yloxy)methyl]phenol
Smiles: CC(OCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C

STK525212
Synonyms: (2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2ccc(cc2F)F)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)c1ccccc1

STK525213
Synonyms: tert-butyl{[3-cyano-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]sulfanyl}acetate
Smiles: N#Cc1c(SCC(=O)OC(C)(C)C)nc2c(c1c1cccs1)CN(CC2)C

STK525214
Synonyms: 1-(benzylsulfanyl)-4-(4-methylphenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCCc1s2)SCc1ccccc1

STK525217
Synonyms: 2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1nc(N)c2c(n1)sc1c2CCCCC1

STK525218
Synonyms: [3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl](4-methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)c1sc2c(c1N)c(cc(n2)c1ccccc1)c1ccc(cc1)OC

STK525219
Synonyms: 7-{[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1,3-dimethyl-8-[(pyridin-3-ylmethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccccc1C1=NOC(C1)Cn1c(NCc2cccnc2)nc2c1c(=O)n(C)c(=O)n2C

STK525221
Synonyms: 6-hexyl-2-imino-3-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-2H-chromen-7-ol
Smiles: CCCCCCc1cc2cc(c3scc(n3)c3ccc(cc3)Oc3ccccc3)c(=N)oc2cc1O

STK525222
Synonyms: 3-(tert-butylsulfonyl)thiophene-2,4-dicarbaldehyde
Smiles: O=Cc1scc(c1S(=O)(=O)C(C)(C)C)C=O

STK525223
Synonyms: N,N'-(2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)dibenzamide
Smiles: ClC1=C(NC(=O)c2ccccc2)C(=O)C(=C(C1=O)NC(=O)c1ccccc1)Cl

STK525224
Synonyms: 2'-oxo-N-phenylspiro[1,3-dioxolane-2,3'-indole]-1'(2'H)-carboxamide
Smiles: O=C(N1c2ccccc2C2(C1=O)OCCO2)Nc1ccccc1

STK525225
Synonyms: 2,2-diphenylcyclopropanecarboxylicacid
Smiles: OC(=O)C1CC1(c1ccccc1)c1ccccc1

STK525226
Synonyms: 2-[(2-fluorobenzyl)sulfanyl]-6-(4-fluorophenyl)-4-phenylpyridine-3-carbonitrile
Smiles: N#Cc1c(SCc2ccccc2F)nc(cc1c1ccccc1)c1ccc(cc1)F

STK525227
Synonyms: (2E)-2-cyano-3-{3-[(4-nitrophenyl)amino]-1H-indol-2-yl}prop-2-enamide
Smiles: N#C/C(=C\c1[nH]c2c(c1Nc1ccc(cc1)[N+](=O)[O-])cccc2)/C(=O)N

STK525228
Synonyms: 5-{(6-hydroxy-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl}-6-oxo-1,3-diphenyl-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: COc1ccc(cc1C[NH+]1CCOCC1)C(c1c(O)n(c2ccccc2)c(=S)n(c1=O)c1ccccc1)c1c([O-])n(c2ccccc2)c(=S)n(c1=O)c1ccccc1

STK525229
Synonyms: (1S,2S,3aR)-2-(3-bromophenyl)-1-(phenylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@H](c2cccc(c2)Br)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)c1ccccc1

STK525230
Synonyms: 6-tert-butyl-2-[(3-methoxybenzyl)sulfanyl]-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: COc1cccc(c1)CSc1nc2CCC(Cc2c(c1C#N)c1cccs1)C(C)(C)C

STK525231
Synonyms: N'-[(E)-(4-chlorophenyl)methylidene]-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbohydrazide
Smiles: Clc1ccc(cc1)/C=N/NC(=O)c1cc(=O)n(c(=O)[nH]1)C

STK525234
Synonyms: 9-amino-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8(9H)-one
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncn(c3=O)N

STK525235
Synonyms: (5Z)-5-(1H-indol-3-ylmethylidene)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)/C(=C/c2c[nH]c3c2cccc3)/C(=O)N1c1cccc(c1)C(F)(F)F

STK525236
Synonyms: (diphenylphosphoryl)(thiophen-2-yl)methanol
Smiles: OC(P(=O)(c1ccccc1)c1ccccc1)c1cccs1

STK525237
Synonyms: ethyl6-amino-4-(4-bromo-2-fluorophenyl)-5-cyano-2-phenyl-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(OC(=C(C1c1ccc(cc1F)Br)C#N)N)c1ccccc1

STK525239
Synonyms: N-(2-ethoxyphenyl)-2-hydroxybenzamide
Smiles: CCOc1ccccc1NC(=O)c1ccccc1O

STK525240
Synonyms: 7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)C

STK525242
Synonyms: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-ethyl-5-methylpyridine-3-carbonitrile
Smiles: N#Cc1cc(C)c(nc1SCC(=O)c1ccc(cc1)Br)CC

STK525244
Synonyms: 2-(4-diazo-3-oxobutyl)-1H-isoindole-1,3(2H)-dione
Smiles: [N-]=[N+]=CC(=O)CCN1C(=O)c2c(C1=O)cccc2

STK525245
Synonyms: (5Z)-1-(4-ethoxyphenyl)-5-[(2-methyl-1H-indol-3-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2c(C)[nH]c3c2cccc3)/C1=O

STK525248
Synonyms: methyl3-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate
Smiles: COC(=O)CCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CCCC3

STK525249
Synonyms: 2,2-dimethyl-5-(morpholin-4-yl)-N-(tetrahydrofuran-2-ylmethyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-amine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1nnnc2NCC1CCCO1

STK525251
Synonyms: hexyl{[6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Smiles: CCCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1CC(=C)C)CC(OC3)(C)C

STK525252
Synonyms: 5-bromo-N-{3-chloro-4-[(4-chlorophenyl)carbonyl]phenyl}-2-{[(4-chlorophenyl)sulfonyl]amino}benzamide
Smiles: Clc1ccc(cc1)C(=O)c1ccc(cc1Cl)NC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(cc1)Cl

STK525253
Synonyms: 3,5-dibromo-N-{2-[(4-bromonaphthalen-1-yl)oxy]-5-chlorophenyl}-2-hydroxybenzamide
Smiles: Clc1ccc(c(c1)NC(=O)c1cc(Br)cc(c1O)Br)Oc1ccc(c2c1cccc2)Br

STK525255
Synonyms: ethyl5-(acetyloxy)-6-bromo-2-{[(2-cyano-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)sulfanyl]methyl}-1-methyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OC(=O)C)c(cc2n(c1CSC1=C(C#N)C(=O)CC(C1)(C)C)C)Br

STK525257
Synonyms: 6-amino-1-(2-hydroxyethyl)-5-nitrosopyrimidine-2,4(1H,3H)-dione
Smiles: OCCn1c(=O)[nH]c(=O)c(c1N)N=O

STK525259
Synonyms: 6-(4-acetylpiperazin-1-yl)-8-benzyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)OC2)Cc1ccccc1)N1CCN(CC1)C(=O)C

STK525261
Synonyms: bis(3-methylphenyl)(5-chloro-2-methoxyphenyl)phosphoramidate
Smiles: COc1ccc(cc1NP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C)Cl

STK525262
Synonyms: 1-{2-[(4-ethoxybenzyl)sulfanyl]ethyl}guanidine
Smiles: CCOc1ccc(cc1)CSCCNC(=N)N

STK525263
Synonyms: N-{(1Z)-1-(4-chlorophenyl)-3-[(4-nitrophenyl)amino]-3-oxoprop-1-en-2-yl}benzamide
Smiles: Clc1ccc(cc1)/C=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\NC(=O)c1ccccc1

STK525264
Synonyms: 2-hydroxy-3,5-diiodo-N-{2-[5-methyl-2-(propan-2-yl)phenoxy]phenyl}benzamide
Smiles: Cc1ccc(c(c1)Oc1ccccc1NC(=O)c1cc(I)cc(c1O)I)C(C)C

STK525265
Synonyms: 3-(4-methoxyphenyl)-8,8-dimethyl-2-(prop-2-en-1-ylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: C=CCSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccc(cc1)OC

STK525266
Synonyms: 1-cyclopropyl-6-nitro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylicacid
Smiles: [O-][N+](=O)c1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1

STK525269
Synonyms: ethyl(2Z)-5-[4-(acetyloxy)phenyl]-2-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C/c1cn(nc1c1ccccc1)c1ccccc1)/s2

STK525270
Synonyms: methyl3-{[5-cyano-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}propanoate
Smiles: COC(=O)CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(OC2)(C)C

STK525271
Synonyms: 2,3-dimethoxy-6-[(E)-{2-[(naphthalen-2-yloxy)acetyl]hydrazinylidene}methyl]benzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)/C=N/NC(=O)COc1ccc2c(c1)cccc2

STK525272
Synonyms: 2-phenyl-1-(4-propoxyphenyl)-3-(pyrrolidin-1-yl)propan-1-one
Smiles: CCCOc1ccc(cc1)C(=O)C(c1ccccc1)CN1CCCC1

STK525273
Synonyms: ethyl{[7-methyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCN(C3)C

STK525275
Synonyms: [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](4-methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)c1sc2c(c1N)c(cc(n2)c1ccccc1)C(F)(F)F

STK525276
Synonyms: 4-benzyl-1-(benzylsulfanyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: O=c1c2c3CCCc3sc2n2c(n1Cc1ccccc1)nnc2SCc1ccccc1

STK525277
Synonyms: 4-(2-methoxyphenyl)-1-[(2-phenylethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: COc1ccccc1n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCCc1ccccc1

STK525280
Synonyms: N-(1-butyl-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-2-yl)propanamide
Smiles: CCCCn1c2nc3ccccc3nc2c(c1NC(=O)CC)C#N

STK525281
Synonyms: (5Z)-5-(4-chlorobenzylidene)-3-(4-methylphenyl)-2-phenyl-3,5-dihydro-4H-imidazol-4-one
Smiles: Cc1ccc(cc1)N1C(=O)/C(=C/c2ccc(cc2)Cl)/N=C1c1ccccc1

STK525283
Synonyms: 6-chloro-3,3-dimethyl-8-phenyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(Cl)nc(c2c1CC(C)(C)SC2)c1ccccc1

STK525291
Synonyms: (5E)-5-(4-chlorobenzylidene)-2,3-diphenyl-3,5-dihydro-4H-imidazol-4-one
Smiles: Clc1ccc(cc1)/C=C\1/N=C(N(C1=O)c1ccccc1)c1ccccc1

STK525292
Synonyms: 2-(benzylsulfanyl)-7-methyl-3-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)SCc1ccccc1)c1ccc(cc1)C

STK525294
Synonyms: 2-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1c1cc(OC)c(c(c1)[N+](=O)[O-])O)C(=O)CC(C2)(C)C

STK525295
Synonyms: (8S,8aS)-6-amino-2-benzyl-8-(3-methylthiophen-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCN(C2)Cc1ccccc1)c1sccc1C)(C#N)C#N

STK525296
Synonyms: 1-(butylamino)-3-chloro-7-methyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: CCCCNc1nc(Cl)c(c2c1CN(C)CC2)C#N

STK525300
Synonyms: 2,7-bis{[bis(2-chloroethyl)amino]methyl}-1,8-bis(4-propoxyphenyl)octane-1,8-dione
Smiles: ClCCN(CC(C(=O)c1ccc(cc1)OCCC)CCCCC(C(=O)c1ccc(cc1)OCCC)CN(CCCl)CCCl)CCCl

STK525301
Synonyms: ethyl5-methyl-3-(nonafluorobutyl)-1H-pyrazole-4-carboxylate
Smiles: CCOC(=O)c1c(n[nH]c1C)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

STK525302
Synonyms: 6-bromo-3-[(2E)-3-chloroprop-2-en-1-yl]-2-methylquinoline-4-thiol
Smiles: Cl/C=C/Cc1c(C)nc2c(c1S)cc(cc2)Br

STK525303
Synonyms: 4-(4-methoxyphenyl)-1-[(3-methylbutyl)sulfanyl]-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: COc1ccc(cc1)n1c(=O)c2c3CCCCCc3sc2n2c1nnc2SCCC(C)C

STK525304
Synonyms: 6-(dipropylamino)-3,3-dimethyl-8-(propan-2-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CCCN(c1nc(C(C)C)c2c(c1C#N)CC(OC2)(C)C)CCC

STK525306
Synonyms: 4-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoicacid
Smiles: COc1ccc(cc1)C1CC(=NN1C(=O)CCC(=O)O)c1ccc(cc1)C

STK525307
Synonyms: 5-(dimethylsulfonio)-2,4,6-trioxo-1-[3-(trifluoromethyl)phenyl]hexahydropyrimidin-5-ide
Smiles: O=C1NC(=O)[C-](C(=O)N1c1cccc(c1)C(F)(F)F)[S+](C)C

STK525309
Synonyms: 6-amino-2-methyl-8-(pyridin-4-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2C1=CCN(C2)C)c1ccncc1)(C#N)C#N

STK525310
Synonyms: 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-phenylethanone
Smiles: O=C(c1ccccc1)CSc1nc(N)c2c(n1)sc1c2CCCC1

STK525311
Synonyms: 1-{2-[(4-chlorophenyl)amino]-4H-[1,3]thiazolo[5,4-b]indol-4-yl}ethanone
Smiles: Clc1ccc(cc1)Nc1nc2c(s1)n(c1c2cccc1)C(=O)C

STK525312
Synonyms: ethyl[(4-methoxy-2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)oxy]acetate
Smiles: CCOC(=O)COn1c(=O)c(=O)n(c2c1cccc2)OC

STK525313
Synonyms: ethyl{[4-(2-methoxyphenyl)-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1OC)CCCCC3

STK525314
Synonyms: tert-butyl(8aS)-6-amino-5,7,7-tricyano-8-[4-(methylsulfanyl)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C(C([C@H]2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccc(cc1)SC)(C#N)C#N

STK525315
Synonyms: 3-[2-(methylamino)ethyl]-1H-1,2,4-triazol-5-amine
Smiles: CNCCc1n[nH]c(n1)N

STK525318
Synonyms: 4-(4-methoxyphenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: COc1ccc(cc1)n1c(=O)c2c3CCCCCc3sc2n2c1nnc2

STK525320
Synonyms: (5Z)-1-cyclohexyl-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)C1CCCCC1

STK525323
Synonyms: 1,1'-(2,2-dichloroethane-1,1-diyl)bis(3-bromo-4-methoxybenzene)
Smiles: COc1ccc(cc1Br)C(c1ccc(c(c1)Br)OC)C(Cl)Cl

STK525324
Synonyms: 2-({6-(4-bromophenyl)-3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl}sulfanyl)-N-phenylacetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccccc2)nc(cc1c1cccc(c1)C(F)(F)F)c1ccc(cc1)Br

STK525325
Synonyms: 4-(2-methylphenyl)-1-(pentylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: CCCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1C)CCCCC3

STK525327
Synonyms: 3-{[(E)-(4-fluorophenyl)methylidene]amino}-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCCc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(cc1)F)CCCC3

STK525329
Synonyms: 7-benzyl-2-hydrazinyl-3-(phenylcarbonyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: NNc1nc2sc3c(c2c(=O)n1C(=O)c1ccccc1)CCN(C3)Cc1ccccc1

STK525330
Synonyms: ethyl2-(4-amino-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
Smiles: CCOC(=O)C(C(F)(F)F)(c1ccc(c(c1)C)N)O

STK525332
Synonyms: N~4~-(benzo[g]quinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine
Smiles: CCN(CCCC(Nc1ccnc2c1cc1ccccc1c2)C)CC

STK525333
Synonyms: 8-benzyl-6-[(2-hydroxyethyl)amino]-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: OCCNc1nc(Cc2ccccc2)c2c(c1C#N)CC(OC2)(C)C

STK525334
Synonyms: ethyl[(3-benzyl-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(OC3)(C)C

STK525335
Synonyms: 5-methyl-8-(pyrrolidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: Cc1nc2sc3c(c2c2c1CCCC2)ncnc3N1CCCC1

STK525336
Synonyms: (2R,3R,10bS)-3-[(4-fluorophenyl)carbonyl]-2-[4-(prop-2-en-1-yloxy)phenyl]-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Smiles: C=CCOc1ccc(cc1)[C@H]1[C@H](C(=O)c2ccc(cc2)F)N2[C@H](C1(C#N)C#N)c1ccccc1C=C2

STK525337
Synonyms: 1-(4,4-dimethyl-3-oxopentyl)-1H-indole-2,3-dione
Smiles: O=C(C(C)(C)C)CCN1c2ccccc2C(=O)C1=O

STK525340
Synonyms: 2,2-dimethyl-5-(morpholin-4-yl)-8-(2-phenylhydrazinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1nnnc2NNc1ccccc1

STK525343
Synonyms: 5-ethyl-8-(methylsulfanyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCc1nc2sc3c(c2c2c1CCCC2)ncnc3SC

STK525345
Synonyms: ethyl(2Z)-2-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cn(nc1c1ccccc1)c1ccccc1)/s2

STK525346
Synonyms: N-(3,4-dimethoxybenzyl)prolinamide
Smiles: COc1cc(CNC(=O)C2CCCN2)ccc1OC

STK525347
Synonyms: 2-amino-4-(3-methoxyphenyl)-6-methyl-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2C1=CCC(C2)C)c1cccc(c1)OC)(C#N)C#N

STK525348
Synonyms: ethyl4-(4-chlorophenyl)-2-{[(2E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)Cl)NC(=O)/C(=C/c1ccc(o1)c1ccccc1)/C#N

STK525349
Synonyms: (2E)-1-(4-bromophenyl)-3-[4-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]prop-2-en-1-one
Smiles: Brc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccccc1

STK525350
Synonyms: ethyl{2,5-dioxo-3-[4-(propan-2-yloxy)phenyl]pyrrolidin-1-yl}acetate
Smiles: CCOC(=O)CN1C(=O)CC(C1=O)c1ccc(cc1)OC(C)C

STK525352
Synonyms: 5-[(1-benzyl-1H-indol-3-yl)methylidene]-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: S=C1N(C)C(=O)C(=Cc2cn(c3c2cccc3)Cc2ccccc2)C(=O)N1C

STK525354
Synonyms: [3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl](4-methylphenyl)methanone
Smiles: Cc1ccc(cc1)C(=O)c1sc2c(c1N)c(cc(n2)c1ccc(cc1)F)c1ccccc1

STK525355
Synonyms: [1-amino-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-yl](4-bromophenyl)methanone
Smiles: Brc1ccc(cc1)C(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK525356
Synonyms: (2E)-N-(4-butoxy-3-chlorobenzyl)-2-(4-nitrobenzylidene)hydrazinecarbothioamide
Smiles: CCCCOc1ccc(cc1Cl)CNC(=S)N/N=C/c1ccc(cc1)[N+](=O)[O-]

STK525358
Synonyms: (1E)-[1,2-bis(3,4-dimethoxyphenyl)ethylidene]hydrazine
Smiles: N/N=C(/c1ccc(c(c1)OC)OC)\Cc1ccc(c(c1)OC)OC

STK525359
Synonyms: 5-[3-methyl-4-(propan-2-yloxy)benzyl]-2-sulfanylpyrimidine-4,6-diol
Smiles: CC(Oc1ccc(cc1C)Cc1c(O)nc(nc1O)S)C

STK525360
Synonyms: 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2,2-diphenylethanone
Smiles: O=C(C(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCOCCOCCO2

STK525361
Synonyms: 8-chloro-5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCc1nc2sc3c(c2c2c1CCCC2)ncnc3Cl

STK525362
Synonyms: N-(3-chlorotricyclo[3.3.1.1~3,7~]dec-1-yl)morpholine-4-carboxamide
Smiles: O=C(N1CCOCC1)NC12CC3CC(C1)CC(C2)(C3)Cl

STK525363
Synonyms: 3-{2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoicacid
Smiles: OC(=O)c1cccc(c1)n1c(/C=C/c2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cccc2

STK525365
Synonyms: 2-amino-4-(hexadecylsulfanyl)-6-(methylsulfanyl)pyrimidine-5-carbonitrile
Smiles: CCCCCCCCCCCCCCCCSc1nc(N)nc(c1C#N)SC

STK525366
Synonyms: N-{4-[(5-{(Z)-[1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxybenzyl)oxy]phenyl}acetamide
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc(c(c2)COc2ccc(cc2)NC(=O)C)OC)/C1=O

STK525367
Synonyms: N-(2-{5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl}phenyl)-4-methylbenzenesulfonamide
Smiles: BrCc1ccc(cc1)c1nnc(o1)c1ccccc1NS(=O)(=O)c1ccc(cc1)C

STK525368
Synonyms: methyl3-methylquinoxaline-2-carboxylate4-oxide
Smiles: COC(=O)c1nc2ccccc2[n+](c1C)[O-]

STK525369
Synonyms: 1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-(pyrrolidin-1-yl)propan-1-ol
Smiles: OC(C(c1ccccc1)CN1CCCC1)c1ccc(cc1)OCC(C)C

STK525370
Synonyms: 1-[(2Z)-3-chlorobut-2-en-1-yl]-4-methylquinolin-2(1H)-one
Smiles: C/C(=C/Cn1c(=O)cc(c2c1cccc2)C)/Cl

STK525372
Synonyms: 2-methylbenzo[g]quinazolin-4-ol
Smiles: Cc1nc2cc3ccccc3cc2c(n1)O

STK525375
Synonyms: 4-benzyl-1-(methylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)CCCCC3

STK525376
Synonyms: ethyl4-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Smiles: CCOC(=O)CC(=O)CSc1nc(cc(c1C#N)c1ccc(c(c1)OC)OC)c1cccs1

STK525378
Synonyms: (2Z)-2-(4-fluorobenzylidene)-6,9-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
Smiles: Fc1ccc(cc1)/C=C\1/CCc2c(C1=O)n(C)c1c2cc(cc1)C

STK525379
Synonyms: (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)amino]but-2-en-1-one
Smiles: C/C(=C\C(=O)c1ccc2c(c1)OCCO2)/Nc1ccc(cc1)C

STK525380
Synonyms: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-phenyl-3,5-dihydro-4H-imidazol-4-one
Smiles: Cc1ccc(cc1)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)/N=C1c1ccccc1

STK525381
Synonyms: (5Z)-5-benzylidene-3-(4-nitrophenyl)-2-phenyl-3,5-dihydro-4H-imidazol-4-one
Smiles: O=C1/C(=C/c2ccccc2)/N=C(N1c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK525383
Synonyms: ethyl2-[(2-chlorobutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)C(CC)Cl)sc2c1CCCC2

STK525387
Synonyms: 2-(benzylsulfanyl)-6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CC1CCc2c(C1)c1c(=O)[nH]c(nc1s2)SCc1ccccc1

STK525388
Synonyms: 3-[(2-aminoethyl)amino]-1-(benzylamino)-7-ethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: NCCNc1nc(NCc2ccccc2)c2c(c1C#N)CCN(C2)CC

STK525389
Synonyms: 4-(1,3-benzothiazol-2-yl)butanamide
Smiles: NC(=O)CCCc1nc2c(s1)cccc2

STK525390
Synonyms: 5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Smiles: CC1=CC(c2ccccc2)n2c(N1)nc(n2)N

STK525392
Synonyms: 2,6-di-tert-butyl-4-(4-hydroxybenzyl)phenol
Smiles: Oc1ccc(cc1)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK525393
Synonyms: 12-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-9,10-dihydro-9,10-ethanoanthracene-11-carboxylicacid
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C1C(C(=O)O)C2c3c(C1c1c2cccc1)cccc3

STK525395
Synonyms: 4-(2-methoxyphenyl)-1-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: COc1ccccc1n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=C)C

STK525397
Synonyms: 5-ethyl-2,2-dimethyl-N-[2-(morpholin-4-yl)ethyl]-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3NCCN1CCOCC1

STK525398
Synonyms: 1,6-bis(4-ethoxyphenyl)hexane-1,6-dione
Smiles: CCOc1ccc(cc1)C(=O)CCCCC(=O)c1ccc(cc1)OCC

STK525399
Synonyms: ethyl6-bromo-2-[(diethylamino)methyl]-5-methoxy-1-methyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OC)c(cc2n(c1CN(CC)CC)C)Br

STK525400
Synonyms: 4-amino-3,6-di-tert-butylcyclohexa-3,5-diene-1,2-dione
Smiles: O=C1C(=O)C(=C(C=C1C(C)(C)C)N)C(C)(C)C

STK525403
Synonyms: 4-(4-methoxyphenyl)-1-(propylsulfanyl)-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

STK525404
Synonyms: 4-(4-methoxyphenyl)-1-(pentylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: CCCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

STK525405
Synonyms: ethyl(1S,2S,3R,8aS)-3,6-dicarbamoyl-2-(2-chlorophenyl)-1-cyano-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Smiles: CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccccc1Cl)C(=O)N)C(=O)N

STK525406
Synonyms: 8-ethyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)CC)N1CCNCC1

STK525407
Synonyms: 6-phenyl-2-[(thiophen-2-ylmethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
Smiles: N#Cc1c(SCc2cccs2)nc(cc1C(F)(F)F)c1ccccc1

STK525408
Synonyms: methyl6-amino-5-cyano-2-(methoxymethyl)-4-(2-methylphenyl)-4H-pyran-3-carboxylate
Smiles: COCC1=C(C(=O)OC)C(C(=C(O1)N)C#N)c1ccccc1C

STK525409
Synonyms: 1,4-bis(2-phenylethyl)piperazine-2,6-dione
Smiles: O=C1CN(CCc2ccccc2)CC(=O)N1CCc1ccccc1

STK525410
Synonyms: 2,4-di-tert-butyl-6-[(dimethylamino)methyl]phenol
Smiles: CN(Cc1cc(cc(c1O)C(C)(C)C)C(C)(C)C)C

STK525411
Synonyms: ethyl2-{[(2E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)/C(=C/c1ccc(o1)c1ccccc1)/C#N

STK525412
Synonyms: ethyl[(8-ethyl-8-methyl-4-oxo-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc2nc3CC(C)(CC)OCc3cc2c(=O)n1c1ccccc1

STK525413
Synonyms: methyl(4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(C)OC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C#N)N

STK525414
Synonyms: ethyl(2E)-2-cyano-3-[6,6-dimethyl-4-(morpholin-4-yl)-5,6-dihydro-2H-pyran-3-yl]prop-2-enoate
Smiles: CCOC(=O)/C(=C/C1=C(CC(OC1)(C)C)N1CCOCC1)/C#N

STK525415
Synonyms: N-[(2E)-1-(5,5-dimethyl-2-sulfido-1,3,2-dioxaphosphinan-2-yl)pyrrolidin-2-ylidene]aniline
Smiles: CC1(C)COP(=S)(OC1)N1CCC/C/1=N\c1ccccc1

STK525416
Synonyms: 1-(4-methoxyphenyl)-1,2-diphenylethanol
Smiles: COc1ccc(cc1)C(c1ccccc1)(Cc1ccccc1)O

STK525417
Synonyms: (2Z)-N'-(diphenylmethylidene)-2-hydroxy-4-oxo-4-phenylbut-2-enehydrazide
Smiles: O/C(=C\C(=O)c1ccccc1)/C(=O)N/N=C(\c1ccccc1)/c1ccccc1

STK525419
Synonyms: 8-phenyl-6,7,8,13-tetrahydro-5H-benzo[6,7]cyclohepta[1,2-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: c1ccc(cc1)C1C2=C(Nc3n1ncn3)c1ccccc1CCC2

STK525420
Synonyms: 2-{[5-(furan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]amino}ethanol
Smiles: OCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)c1ccco1

STK525421
Synonyms: ethyl(2Z)-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)/c(=C\1/C(=O)N(c3c1cccc3)CC)/s2

STK525422
Synonyms: 6-[(2-cyanoethyl)sulfanyl]-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#CCCSc1nc(N2CCCC2)c2c(c1C#N)CC(OC2)(C)C

STK525424
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: Clc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(C)C)CCCC3

STK525425
Synonyms: methyl[(5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetate
Smiles: COC(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)CC

STK525426
Synonyms: N'-(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)benzohydrazide
Smiles: O=C(c1ccccc1)NNc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3

STK525428
Synonyms: 8-(benzylsulfanyl)-5-butyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCc1ccccc1

STK525429
Synonyms: (2E)-imidazo[1,2-a]pyrimidin-2-yl(methoxyimino)ethanoicacid
Smiles: CO/N=C(\c1cn2c(n1)nccc2)/C(=O)O

STK525431
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)pyridine-3-carbonitrile
Smiles: N#Cc1ccc(nc1SCc1ccccc1Cl)C12CC3CC(C2)CC(C1)C3

STK525432
Synonyms: 9-amino-2,2-dimethyl-5,10-diphenyl-2,3-dihydro-1H-pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: Nn1c(nc2c(c1=O)sc1c2c2CC(C)(C)COc2c(n1)c1ccccc1)c1ccccc1

STK525433
Synonyms: 4-(2-methylphenyl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: Cc1ccccc1n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)S

STK525437
Synonyms: 2,2-dimethyl-8-[(2-methylpropyl)sulfanyl]-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CC(CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccccc1)C

STK525438
Synonyms: 2-phenoxy-N'-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)acetohydrazide
Smiles: O=C(COc1ccccc1)NNc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C

STK525439
Synonyms: 2-amino-4-(furan-2-yl)-3-(4-phenyl-1,3-thiazol-2-yl)-4H,5H-pyrano[3,2-c]chromen-5-one
Smiles: NC1=C(c2scc(n2)c2ccccc2)C(c2c(O1)c1ccccc1oc2=O)c1ccco1

STK525440
Synonyms: (4-methoxyphenyl)(1-methyl-3-phenylaziridin-2-yl)methanone
Smiles: COc1ccc(cc1)C(=O)C1N(C1c1ccccc1)C

STK525443
Synonyms: ethyl4-{[(2Z)-2-[(phenylcarbonyl)amino]-3-(pyridin-4-yl)prop-2-enoyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccncc1)/NC(=O)c1ccccc1

STK525444
Synonyms: 2-[(2-methylacryloyl)oxy]ethyl6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Smiles: N#CC1=C(N)OC(=C(C1c1ccc(cc1)Cl)C(=O)OCCOC(=O)C(=C)C)C

STK525445
Synonyms: 3,3-dimethyl-8-(2-methylpropyl)-6-[4-(phenylacetyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)OC2)CC(C)C)N1CCN(CC1)C(=O)Cc1ccccc1

STK525446
Synonyms: 3-bromo-5-chloro-N-{5-chloro-2-[(1-chloronaphthalen-2-yl)oxy]phenyl}-2-hydroxybenzamide
Smiles: Clc1ccc(c(c1)NC(=O)c1cc(Cl)cc(c1O)Br)Oc1ccc2c(c1Cl)cccc2

STK525449
Synonyms: 8-ethyl-8-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCC1(C)OCc2c(C1)nc1c(c2)c(=O)n(c(n1)SCC(=O)c1ccccc1)c1ccccc1

STK525450
Synonyms: 3-cyclohexyl-2-(pentylsulfanyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3

STK525452
Synonyms: N-[4-({5-[(Z)-(1-hexyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxybenzyl}oxy)phenyl]acetamide
Smiles: CCCCCCN1C(=O)NC(=O)/C(=C/c2ccc(c(c2)COc2ccc(cc2)NC(=O)C)OC)/C1=O

STK525453
Synonyms: 6-chloro-3,3-dimethyl-8-propyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CCCc1nc(Cl)c(c2c1CSC(C2)(C)C)C#N

STK525455
Synonyms: (1S,3aR)-1-(phenylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: N#CC1(C#N)C[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)c1ccccc1

STK525456
Synonyms: (1S,2S,3aS)-2-(3-fluorophenyl)-1-[(4-fluorophenyl)carbonyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@H](c2cccc(c2)F)[C@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)F

STK525459
Synonyms: 4'-[3-(butylsulfanyl)-5-ethoxy-4H-1,2,4-triazol-4-yl]-N-phenyl-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide
Smiles: CCCCSc1nnc(n1C1=C(C(=O)Nc2ccccc2)C2(Cc3c1cccc3)CCCCC2)OCC

STK525460
Synonyms: 1-[(diphenylmethyl)sulfanyl]-4-(2-methylprop-2-en-1-yl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC(=C)Cn1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SC(c1ccccc1)c1ccccc1

STK525461
Synonyms: 4,7,7-trimethyl-1-[(3-methylbutyl)sulfanyl]-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC(CCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC(OC3)(C)C)C

STK525463
Synonyms: 6-amino-3-tert-butyl-4-(2-chloro-6-fluorophenyl)-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1c(F)cccc1Cl)c(nn2c1ccccc1)C(C)(C)C

STK525464
Synonyms: ethyl(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamate
Smiles: CCOC(=O)Nc1sc2c(c1C#N)CCCC2

STK525465
Synonyms: 3-ethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK525468
Synonyms: 2,5-bis(azepan-1-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione
Smiles: CCCOc1ccc(cc1)C(=O)C(CN1CCCCCC1)CCC(C(=O)c1ccc(cc1)OCCC)CN1CCCCCC1

STK525470
Synonyms: (2E)-3-(4-bromophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
Smiles: Brc1ccc(cc1)/C=C/C(=O)c1ccccc1O

STK525471
Synonyms: propan-2-yl1-amino-8,8-dimethyl-5-(piperidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate
Smiles: CC(OC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCCC1)C

STK525472
Synonyms: 3-cyclohexyl-2-[(2-phenoxyethyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: O=c1n(C2CCCCC2)c(SCCOc2ccccc2)nc2c1c1CCCc1s2

STK525473
Synonyms: 2,2-dimethyl-8-(morpholin-4-yl)-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3N1CCOCC1

STK525475
Synonyms: (2R,3R,10bS)-2-(3-bromophenyl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2cccc(c2)Br)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3

STK525476
Synonyms: 1-(benzylsulfanyl)-4-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cn1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccccc1

STK525478
Synonyms: N-[5-(N,N-dimethylglycyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]benzamide
Smiles: CN(CC(=O)N1c2cc(ccc2CCc2c1cccc2)NC(=O)c1ccccc1)C

STK525479
Synonyms: ethyl2-(2,5-dioxopyrrolidin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c2CCCCc2sc1N1C(=O)CCC1=O

STK525480
Synonyms: methyl1-amino-7,8,8-trimethyl-5-(piperidin-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate
Smiles: COC(=O)c1sc2c(c1N)c1CC(C)(C)N(Cc1c(n2)N1CCCCC1)C

STK525482
Synonyms: 7-benzyl-3-chloro-1-(3,3-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: N#Cc1c(Cl)nc(c2c1CCN(C2)Cc1ccccc1)N1CCCC(C1)(C)C

STK525483
Synonyms: 2-[(3,4-dichlorobenzyl)sulfanyl]-7-propyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCCN1CCc2c(C1)sc1c2c(N)nc(n1)SCc1ccc(c(c1)Cl)Cl

STK525488
Synonyms: 1-(benzylsulfanyl)-4-(4-methylphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: Cc1ccc(cc1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCc1ccccc1

STK525489
Synonyms: 2-(benzylsulfanyl)-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: O=c1c2cc3CCCCc3nc2nc(n1c1ccccc1)SCc1ccccc1

STK525490
Synonyms: 2-(1-benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: O=C1N(Cc2ccccc2)c2c(C1C1N3CC4(CN1CC(C3)(C4=O)C)C)cccc2

STK525491
Synonyms: 4-(8-butyl-5-cyano-3,3-dimethyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)-N-phenylpiperazine-1-carbothioamide
Smiles: CCCCc1nc(N2CCN(CC2)C(=S)Nc2ccccc2)c(c2c1CSC(C2)(C)C)C#N

STK525492
Synonyms: 2,4-dibromo-6-{(E)-[(1-{[(E)-(4-methoxyphenyl)methylidene]amino}-4-phenyl-1H-imidazol-2-yl)imino]methyl}phenol
Smiles: COc1ccc(cc1)/C=N/n1cc(nc1/N=C/c1cc(Br)cc(c1O)Br)c1ccccc1

STK525493
Synonyms: (2Z)-N'-(diphenylmethylidene)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enehydrazide
Smiles: Cc1ccc(cc1)C(=O)/C=C(/C(=O)N/N=C(/c1ccccc1)\c1ccccc1)\O

STK525494
Synonyms: 5-ethyl-2,2-dimethyl-N-(3-methylbutyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3NCCC(C)C

STK525495
Synonyms: 2-{[2-(azepan-1-yl)ethyl]sulfanyl}-4-(4-chlorophenyl)-6-phenylpyridine-3-carbonitrile
Smiles: N#Cc1c(SCCN2CCCCCC2)nc(cc1c1ccc(cc1)Cl)c1ccccc1

STK525496
Synonyms: 6-[(Z)-{2-[(2,4-dichlorophenoxy)acetyl]hydrazinylidene}methyl]-2,3-dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)/C=N\NC(=O)COc1ccc(cc1Cl)Cl

STK525497
Synonyms: ethyl(2Z)-3-{3-[(chloroacetyl)(phenyl)amino]-1H-indol-2-yl}-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C\c1[nH]c2c(c1N(c1ccccc1)C(=O)CCl)cccc2)/C#N

STK525498
Synonyms: 6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CC(=C)Cn1c(SCC(=O)c2ccccc2)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK525499
Synonyms: 4-(4-methoxyphenyl)-1-(propylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: CCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

STK525500
Synonyms: 2,4-di-tert-butyl-6-{[(E)-(3-tert-butyl-2-hydroxyphenyl)methylidene]amino}phenol
Smiles: Oc1c(cccc1C(C)(C)C)/C=N/c1cc(cc(c1O)C(C)(C)C)C(C)(C)C

STK525502
Synonyms: N,N-diethyl-N'-[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]ethane-1,2-diamine
Smiles: CCN(CCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)CC

STK525504
Synonyms: N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide
Smiles: S=C(Nc1ccccc1)NNc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C

STK525505
Synonyms: 5-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)N(C(=O)C1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C

STK525509
Synonyms: 2,2-dimethyl-5-(morpholin-4-yl)-N-(pyridin-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2Nc1ccccn1

STK525510
Synonyms: 1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(4-methylphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: Cc1ccc(cc1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=O)c1ccc(cc1)Br

STK525511
Synonyms: 2-bromo-N-{3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]phenyl}benzamide
Smiles: Clc1cc(ccc1Oc1ccc2c(c1Cl)cccc2)NC(=O)c1ccccc1Br

STK525513
Synonyms: 4'-[3-(benzylsulfanyl)-5-ethoxy-4H-1,2,4-triazol-4-yl]-N-(3-methylphenyl)-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide
Smiles: CCOc1nnc(n1C1=C(C(=O)Nc2cccc(c2)C)C2(Cc3c1cccc3)CCCCC2)SCc1ccccc1

STK525514
Synonyms: 1-(diphenylamino)-1H-pyrrole-2,5-dione
Smiles: O=C1C=CC(=O)N1N(c1ccccc1)c1ccccc1

STK525517
Synonyms: 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
Smiles: N#Cc1c(SCC(=O)n2nc(cc2C)C)nc(cc1c1ccc(cc1)F)c1ccccc1

STK525520
Synonyms: 2-(heptylsulfanyl)-8,8-dimethyl-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCCCCCCSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccccc1

STK525521
Synonyms: N-(7-butyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(piperidin-1-yl)acetamide
Smiles: CCCCc1cc2OCCOc2cc1NC(=O)CN1CCCCC1

STK525522
Synonyms: (1Z)-1-(4-bromophenyl)-N-[(4,6-dimethylpyrimidin-2-yl)oxy]ethanimine
Smiles: Brc1ccc(cc1)/C(=N\Oc1nc(C)cc(n1)C)/C

STK525523
Synonyms: 4-(4-fluorophenyl)-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile
Smiles: N#Cc1c(SCCN2CCOCC2)nc(cc1c1ccc(cc1)F)c1cccs1

STK525525
Synonyms: ethyl6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(thiophen-2-yl)-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc3CCCCCc3cc2C#N)OC(=C(C1c1cccs1)C#N)N

STK525526
Synonyms: ethyl(2Z)-2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cn(nc1c1ccc(cc1)Cl)c1ccccc1)/s2

STK525528
Synonyms: N-butyl-5-methyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
Smiles: CCCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)C

STK525531
Synonyms: 8-benzyl-4-phenyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: O=c1c2c3CCN(Cc3sc2n2c(n1c1ccccc1)nnc2)Cc1ccccc1

STK525532
Synonyms: 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-3,6,6-trimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Cn1c(N/N=C/c2ccco2)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK525533
Synonyms: methyl(2Z)-3-(5-bromofuran-2-yl)-2-[(phenylcarbonyl)amino]prop-2-enoate
Smiles: COC(=O)/C(=C/c1ccc(o1)Br)/NC(=O)c1ccccc1

STK525536
Synonyms: [3-amino-7-tert-butyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl](phenyl)methanone
Smiles: O=C(c1sc2c(c1N)c(c1cccs1)c1c(n2)CC(CC1)C(C)(C)C)c1ccccc1

STK525537
Synonyms: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
Smiles: Cc1nn(c(c1)C)c1nnc2c(n1)n(C)c1c2cccc1

STK525539
Synonyms: 2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazol-1-ol3-oxide
Smiles: [O-][N+]1=CC(N(C1(C)C)O)(C)C

STK525541
Synonyms: 4-(4-fluorophenyl)-2-{[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-6-phenylpyridine-3-carbonitrile
Smiles: N#Cc1c(SCC(=O)N2CCN(CC2)C)nc(cc1c1ccc(cc1)F)c1ccccc1

STK525544
Synonyms: [2-(benzyloxy)phenyl][3-(6-chloro-4H-1,3-benzodioxin-8-yl)oxiran-2-yl]methanone
Smiles: Clc1cc(C2OC2C(=O)c2ccccc2OCc2ccccc2)c2c(c1)COCO2

STK525545
Synonyms: 10-methyl-5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8(9H)-one
Smiles: Cc1[nH]c(=O)c2c(n1)c1c(s2)nc(c2c1CCCC2)N1CCOCC1

STK525548
Synonyms: ethyl5-butyl-1-{[(E)-ethoxymethylidene]amino}-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
Smiles: CCCCc1nc2sc(c(c2c2c1CCCC2)/N=C/OCC)C(=O)OCC

STK525549
Synonyms: (2E)-3-(2-chloro-7-ethoxyquinolin-3-yl)-1-phenylprop-2-en-1-one
Smiles: CCOc1ccc2c(c1)nc(c(c2)/C=C/C(=O)c1ccccc1)Cl

STK525550
Synonyms: (2R,3R,10bS)-2-(3-fluorophenyl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2cccc(c2)F)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3

STK525551
Synonyms: N,N'-bis[3-(trifluoromethyl)phenyl]-1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxamide
Smiles: O=C(N1CCOCCN(CCOCCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F)Nc1cccc(c1)C(F)(F)F

STK525552
Synonyms: N-{(1Z)-1-(anthracen-9-yl)-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-2-yl}benzamide
Smiles: Cc1cccc(c1)NC(=O)/C(=C/c1c2ccccc2cc2c1cccc2)/NC(=O)c1ccccc1

STK525553
Synonyms: N-(2-chloro-5-methoxyphenyl)-2-hydroxy-3,5-diiodobenzamide
Smiles: COc1ccc(c(c1)NC(=O)c1cc(I)cc(c1O)I)Cl

STK525555
Synonyms: 2'-[(2,4-dichlorophenyl)amino]-6'-(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
Smiles: CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(cc1)Nc1ccc(cc1Cl)Cl)CC

STK525557
Synonyms: 3-(3,4-dichlorophenyl)-1-[3-(3,4-dichlorophenyl)-5,5-dimethyl-1-(3-methylbutyl)-2-oxoimidazolidin-4-yl]-1-hydroxyurea
Smiles: CC(CCN1C(=O)N(C(C1(C)C)N(C(=O)Nc1ccc(c(c1)Cl)Cl)O)c1ccc(c(c1)Cl)Cl)C

STK525558
Synonyms: 3-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-1-{5-[(2Z)-2-(2,4-dichlorobenzylidene)hydrazinyl]-5-oxopentyl}-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
Smiles: O=C(N/N=C\c1ccc(cc1Cl)Cl)CCCCN1C(=O)N(C(C1(C)C)N(C(=O)Nc1ccc(cc1)Cl)O)c1ccc(cc1)Cl

STK525560
Synonyms: 6-(4-butanoylpiperazin-1-yl)-3,3-dimethyl-8-(2-methylpropyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CCCC(=O)N1CCN(CC1)c1nc(CC(C)C)c2c(c1C#N)CC(OC2)(C)C

STK525562
Synonyms: ethylN-{(2Z)-3-(4-bromophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}leucinate
Smiles: CCOC(=O)C(NC(=O)/C(=C/c1ccc(cc1)Br)/NC(=O)c1ccccc1)CC(C)C

STK525563
Synonyms: 4-phenyl-1-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: CC(Oc1ccc(cc1)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1)CCCCC3)C

STK525566
Synonyms: 1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: COc1ccccc1n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=O)c1ccc(cc1)Br

STK525567
Synonyms: 5-ethyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-ol
Smiles: CCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3O

STK525568
Synonyms: 7-tert-butyl-3-(prop-2-en-1-yl)-2-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: C=CCn1c(SCC=C)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)C

STK525570
Synonyms: 4-benzyl-1-[(3-methylbutyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: CC(CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)CCCCC3)C

STK525571
Synonyms: 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-methylpiperazin-1-yl)methanone
Smiles: CN1CCN(CC1)C(=O)N1c2ccccc2CCc2c1cccc2

STK525573
Synonyms: 4-(4-methoxyphenyl)-1-(prop-2-en-1-ylsulfanyl)-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: C=CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

STK525574
Synonyms: N-{4-chloro-3-[(4-methylphenyl)carbonyl]phenyl}-2-hydroxy-3,5-diiodobenzamide
Smiles: Cc1ccc(cc1)C(=O)c1cc(ccc1Cl)NC(=O)c1cc(I)cc(c1O)I

STK525575
Synonyms: (8S,8aS)-6-amino-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCNC2)c1ccc(cc1F)F)(C#N)C#N

STK525576
Synonyms: 7-methyl-3-(4-methylphenyl)-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCN(C3)C

STK525577
Synonyms: 2-undecyl-1,3-benzoxazole
Smiles: CCCCCCCCCCCc1nc2c(o1)cccc2

STK525579
Synonyms: 4-amino-5-[(4-chlorophenyl)carbonyl]-2-[(4-fluorophenyl)amino]thiophene-3-carbonitrile
Smiles: N#Cc1c(Nc2ccc(cc2)F)sc(c1N)C(=O)c1ccc(cc1)Cl

STK525582
Synonyms: 6-ethyl-6-methyl-2-[(3-methylbutyl)sulfanyl]-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n(c1=O)c1ccccc1)SCCC(C)C

STK525584
Synonyms: 5-benzyl-2,4-diiodopyridin-3-ol
Smiles: Ic1ncc(c(c1O)I)Cc1ccccc1

STK525585
Synonyms: dimethyl(acetylamino)(phenylamino)propanedioate
Smiles: COC(=O)C(C(=O)OC)(Nc1ccccc1)NC(=O)C

STK525587
Synonyms: 3,9-bis(4-bromophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
Smiles: Brc1ccc(cc1)C1OCC2(CO1)COC(OC2)c1ccc(cc1)Br

STK525588
Synonyms: benzyl{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate
Smiles: N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1c1ccc(cc1)Cl)CCC2

STK525590
Synonyms: N-(2-{(2E)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl}-2-oxoethyl)-2-(3-methylphenoxy)acetamide(non-preferredname)
Smiles: CCOc1ccc2c(c1/C=N/NC(=O)CNC(=O)COc1cccc(c1)C)cccc2

STK525593
Synonyms: 3-bromo-5-chloro-N-{5-chloro-2-[(4-chloronaphthalen-1-yl)oxy]phenyl}-2-hydroxybenzamide
Smiles: Clc1ccc(c(c1)NC(=O)c1cc(Cl)cc(c1O)Br)Oc1ccc(c2c1cccc2)Cl

STK525594
Synonyms: 4-(2-methoxyphenyl)-1-(prop-2-yn-1-ylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: C#CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1OC)CCCCC3

STK525595
Synonyms: 2-{(5Z)-5-[1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoicacid
Smiles: OC(=O)CN1C(=O)/C(=C/2\SC(=S)N(C2=O)C(C(=O)O)C)/c2c1cccc2

STK525596
Synonyms: 2-[(5Z)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioicacid
Smiles: OC(=O)CCC(N1C(=S)S/C(=C\c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/C1=O)C(=O)O

STK525599
Synonyms: 2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl(phenyl)methanone
Smiles: O=C(c1ccccc1)c1ccc2c(c1)OCCOCCOCCO2

STK525600
Synonyms: N-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-3-(piperidin-1-yl)propanamide
Smiles: O=C(Nc1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Br)CCN1CCCCC1

STK525601
Synonyms: 1-(4-methoxyphenyl)-2-phenyl-3-(pyrrolidin-1-yl)propan-1-ol
Smiles: COc1ccc(cc1)C(C(c1ccccc1)CN1CCCC1)O

STK525602
Synonyms: ethylN-[(benzyloxy)carbonyl]serylglycinate
Smiles: CCOC(=O)CNC(=O)C(NC(=O)OCc1ccccc1)CO

STK525603
Synonyms: 2-[(2-methylacryloyl)oxy]ethyl6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate
Smiles: N#CC1=C(N)OC(=C(C1c1ccc(cc1)CC)C(=O)OCCOC(=O)C(=C)C)C

STK525604
Synonyms: 1,3-dichloro-7-methyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: N#Cc1c(Cl)nc(c2c1CCN(C2)C)Cl

STK525605
Synonyms: ethyl[6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate
Smiles: CCOC(=O)Cn1c(SC)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK525606
Synonyms: (5Z)-3-benzyl-5-(4-nitrobenzylidene)-2-phenyl-3,5-dihydro-4H-imidazol-4-one
Smiles: O=C1/C(=C/c2ccc(cc2)[N+](=O)[O-])/N=C(N1Cc1ccccc1)c1ccccc1

STK525607
Synonyms: 1-[3-(3-chloro-4-methoxyphenyl)propyl]guanidine
Smiles: COc1ccc(cc1Cl)CCCNC(=N)N

STK525609
Synonyms: 2-(ethylsulfanyl)-7-methyl-3-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCN(C3)C

STK525610
Synonyms: 10-amino-3-benzyl-7,11-dicyano-9-aza-3-azoniaspiro[5.5]undeca-7,10-diene-8-thiolate
Smiles: N#CC1=C([S-])NC(=C(C21CC[NH+](CC2)Cc1ccccc1)C#N)N

STK525611
Synonyms: 5-(1,2-dibromoethyl)-1H-tetrazole
Smiles: BrCC(c1nnn[nH]1)Br

STK525612
Synonyms: (5Z)-5-[4-(diethylamino)-2-hydroxybenzylidene]-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCN(c1ccc(c(c1)O)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccc(cc1)F)CC

STK525613
Synonyms: 2-{(5Z)-5-[1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-3-methylbutanoicacid
Smiles: OC(=O)CN1C(=O)/C(=C/2\SC(=S)N(C2=O)C(C(=O)O)C(C)C)/c2c1cccc2

STK525616
Synonyms: methyl4-[(8S,8aR)-6-amino-2-benzyl-5,7,7-tricyano-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)Cc1ccccc1

STK525618
Synonyms: 5-(diethylsulfonio)-2,4,6-trioxo-1-[3-(trifluoromethyl)phenyl]hexahydropyrimidin-5-ide
Smiles: CC[S+]([C-]1C(=O)NC(=O)N(C1=O)c1cccc(c1)C(F)(F)F)CC

STK525619
Synonyms: dimethyl2,2'-[(1,3-dioxopropane-1,3-diyl)diimino]dibenzoate
Smiles: COC(=O)c1ccccc1NC(=O)CC(=O)Nc1ccccc1C(=O)OC

STK525620
Synonyms: N-{(1E)-1-(4-bromophenyl)-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-2-yl}benzamide
Smiles: Cc1ccc(cc1)NC(=O)/C(=C\c1ccc(cc1)Br)/NC(=O)c1ccccc1

STK525621
Synonyms: 2-[(4-bromobenzyl)sulfanyl]-3-(3-bromophenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Brc1cccc(c1)n1c(SCc2ccc(cc2)Br)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK525622
Synonyms: (2Z)-{2-[4-(diethylamino)phenyl]hydrazinylidene}[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethanenitrile
Smiles: CCN(c1ccc(cc1)N/N=C(\c1scc(n1)c1cc2ccccc2oc1=O)/C#N)CC

STK525623
Synonyms: methyl2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate
Smiles: COC(=O)C(CC(c1nnn(n1)C)Cl)(Cl)Cl

STK525625
Synonyms: 5,5'-[ethane-1,2-diylbis(iminomethylylidene)]bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione)
Smiles: CN1C(=O)N(C)C(=O)C(=CNCCNC=C2C(=O)N(C)C(=O)N(C2=O)C)C1=O

STK525626
Synonyms: 5,7-bis(4-chlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Smiles: Clc1ccc(cc1)c1nc2nc(nn2c(c1)c1ccc(cc1)Cl)N

STK525627
Synonyms: 5-(dimethylsulfonio)-1-(4-methoxybenzyl)-2,4,6-trioxohexahydropyrimidin-5-ide
Smiles: COc1ccc(cc1)CN1C(=O)NC(=O)[C-](C1=O)[S+](C)C

STK525628
Synonyms: ethyl6-amino-2-(chloromethyl)-5-cyano-4-(2-iodophenyl)-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CCl)OC(=C(C1c1ccccc1I)C#N)N

STK525629
Synonyms: 4-(4-methoxyphenyl)-1-(methylsulfanyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: COc1ccc(cc1)n1c(=O)c2c3CCCc3sc2n2c1nnc2SC

STK525630
Synonyms: 2-bromo-5-chloro-N-(3,4-dimethoxybenzyl)pentanamide
Smiles: ClCCCC(C(=O)NCc1ccc(c(c1)OC)OC)Br

STK525632
Synonyms: 3,5-dibromo-N-{4-chloro-2-[(4-chlorophenyl)carbonyl]phenyl}-2-hydroxybenzamide
Smiles: Clc1ccc(c(c1)C(=O)c1ccc(cc1)Cl)NC(=O)c1cc(Br)cc(c1O)Br

STK525635
Synonyms: (5Z)-5-(2-fluorobenzylidene)-3-(4-methylphenyl)-2-phenyl-3,5-dihydro-4H-imidazol-4-one
Smiles: Cc1ccc(cc1)N1C(=O)/C(=C/c2ccccc2F)/N=C1c1ccccc1

STK525638
Synonyms: 1-(butylsulfanyl)-4-(2-phenylethyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: CCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2CCc1ccccc1)CCCCC3

STK525639
Synonyms: N,N'-hexane-1,6-diylbis(4-butoxybenzenesulfonamide)
Smiles: CCCCOc1ccc(cc1)S(=O)(=O)NCCCCCCNS(=O)(=O)c1ccc(cc1)OCCCC

STK525640
Synonyms: N-[3-cyano-1-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]benzamide
Smiles: COc1ccc(cc1)n1c2nc3ccccc3nc2c(c1NC(=O)c1ccccc1)C#N

STK525641
Synonyms: 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-2-phenylethanone
Smiles: O=C(c1ccc2c(c1)OCCOCCOCCOCCO2)Cc1ccccc1

STK525642
Synonyms: diethylbis(3,5-di-tert-butyl-4-hydroxybenzyl)propanedioate
Smiles: CCOC(=O)C(C(=O)OCC)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK525643
Synonyms: N-{(1E)-3-[(4-methylphenyl)amino]-3-oxo-1-phenylprop-1-en-2-yl}-4-(2-methylpropoxy)benzamide
Smiles: CC(COc1ccc(cc1)C(=O)N/C(=C/c1ccccc1)/C(=O)Nc1ccc(cc1)C)C

STK525644
Synonyms: 1,1'-[oxybis(2-nitrobenzene-4,1-diyl)]bis(1H-tetrazole)
Smiles: [O-][N+](=O)c1cc(ccc1n1cnnn1)Oc1ccc(c(c1)[N+](=O)[O-])n1cnnn1

STK525645
Synonyms: 1-(furan-2-yl)-3-[(3-methylbutyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(NCCC(C)C)nc(c2c1CCCC2)c1ccco1

STK525646
Synonyms: 1-[(4-bromobenzyl)sulfanyl]-4-(4-methoxyphenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCCc1s2)SCc1ccc(cc1)Br

STK525647
Synonyms: N-[3-(carbamoylamino)-3-oxo-2-(triphenyl-lambda~5~-phosphanylidene)propanethioyl]benzamide
Smiles: NC(=O)NC(=O)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=S)NC(=O)c1ccccc1

STK525648
Synonyms: 4-(4-methylphenyl)-1-(prop-2-en-1-ylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: C=CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccc(cc1)C)CCCCC3

STK525649
Synonyms: 6-[(2-aminoethyl)amino]-8-ethyl-3,3-dimethyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: NCCNc1nc(CC)c2c(c1C#N)CC(SC2)(C)C

STK525650
Synonyms: 5,7-diethyl-2-(3-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: CCC12CN3CC(C2=O)(CN(C1)C3c1cccc(c1)[N+](=O)[O-])CC

STK525651
Synonyms: 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde
Smiles: COc1ccc(cc1)c1nnc(o1)c1ccc(cc1)C=O

STK525652
Synonyms: ethyl1-amino-5-butyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
Smiles: CCCCc1nc2sc(c(c2c2c1CCCC2)N)C(=O)OCC

STK525653
Synonyms: 3-benzyl-7-tert-butyl-2-[(2-oxobutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC(C3)C(C)(C)C

STK525655
Synonyms: 8-ethoxy-2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCOc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC(C)C

STK525656
Synonyms: 2-[(diethylamino)methyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCN(Cc1nc2c3ccccc3CC3(c2c(=O)[nH]1)CCCC3)CC

STK525659
Synonyms: 3-amino-N-methyl-3-thioxopropanamide
Smiles: CNC(=O)CC(=S)N

STK525660
Synonyms: 4-(decyloxy)-N'-{(E)-[5-(quinolin-8-ylsulfanyl)furan-2-yl]methylidene}benzohydrazide
Smiles: CCCCCCCCCCOc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)Sc1cccc2c1nccc2

STK525661
Synonyms: (1S,2S,3aR)-2-(4-bromophenyl)-1-[(4-fluorophenyl)carbonyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@H](c2ccc(cc2)Br)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)F

STK525662
Synonyms: 4-oxotetrahydrothiophene-3-carboxamide
Smiles: NC(=O)C1CSCC1=O

STK525663
Synonyms: 4-(4-methoxyphenyl)-1-[(2-methylprop-2-en-1-yl)sulfanyl]-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: COc1ccc(cc1)n1c(=O)c2c3CCCCCc3sc2n2c1nnc2SCC(=C)C

STK525665
Synonyms: 2-(3,5-di-tert-butyl-4-hydroxybenzyl)-5,5-dimethylcyclohexane-1,3-dione
Smiles: O=C1CC(C)(C)CC(=O)C1Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK525666
Synonyms: 2-[(2-methylacryloyl)oxy]ethyl6-amino-5-cyano-2-methyl-4-(pyridin-3-yl)-4H-pyran-3-carboxylate
Smiles: N#CC1=C(N)OC(=C(C1c1cccnc1)C(=O)OCCOC(=O)C(=C)C)C

STK525667
Synonyms: 4-(4-methylphenyl)-1-(methylsulfanyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CCC3

STK525669
Synonyms: (1S,2S,3aR)-2-(3,4-dichlorophenyl)-1-(phenylcarbonyl)-1,2-dihydrobenzo[h]pyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@H](c2ccc(c(c2)Cl)Cl)[C@H](N2[C@@H]1C=Cc1c2c2ccccc2cc1)C(=O)c1ccccc1

STK525670
Synonyms: N-[8,8-dimethyl-5-(morpholin-4-yl)-2-(phenylcarbonyl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-yl]benzamide
Smiles: O=C(c1sc2c(c1NC(=O)c1ccccc1)c1CC(C)(C)OCc1c(n2)N1CCOCC1)c1ccccc1

STK525671
Synonyms: 5-butyl-2,2-dimethyl-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: CCCCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3NCC1CCCO1

STK525672
Synonyms: (2R,3R,10bS)-2-(4-chloro-3-nitrophenyl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2ccc(c(c2)[N+](=O)[O-])Cl)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3

STK525673
Synonyms: 2,5-bis{[bis(2-chloroethyl)amino]methyl}-1,6-bis(4-butoxyphenyl)hexane-1,6-dione
Smiles: ClCCN(CC(C(=O)c1ccc(cc1)OCCCC)CCC(C(=O)c1ccc(cc1)OCCCC)CN(CCCl)CCCl)CCCl

STK525676
Synonyms: ethyl2-({(2E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-4-(4-methoxyphenyl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)OC)NC(=O)/C(=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])/C#N

STK525677
Synonyms: 2,6-diethyl-4-methylpyridin-3-ol
Smiles: CCc1cc(C)c(c(n1)CC)O

STK525679
Synonyms: 3-benzyl-2-(propan-2-ylsulfanyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CC(Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3)C

STK525680
Synonyms: ethyl(2Z)-2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1/C=C/c1ccccc1)c(=O)/c(=C/c1cn(nc1c1ccc(cc1)Cl)c1ccccc1)/s2

STK525681
Synonyms: methyl{[3-cyano-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)pyridin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nc(ccc1C#N)C12CC3CC(C2)CC(C1)C3

STK525682
Synonyms: 7-ethoxy-3-[(1E)-3-oxo-3-(thiophen-2-yl)prop-1-en-1-yl]quinolin-2(1H)-one
Smiles: CCOc1ccc2c(c1)[nH]c(=O)c(c2)/C=C/C(=O)c1cccs1

STK525684
Synonyms: ethyl6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc3CCN(Cc3cc2C#N)C)OC(=C(C1c1ccccc1C(F)(F)F)C#N)N

STK525685
Synonyms: 1-(butylsulfanyl)-4-(2-methylphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: CCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1C)CCCCC3

STK525687
Synonyms: 4-{[(2-methoxyphenyl)carbonyl]amino}butanoicacid
Smiles: COc1ccccc1C(=O)NCCCC(=O)O

STK525688
Synonyms: 1-(butylamino)-7-methyl-3-(morpholin-4-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: CCCCNc1nc(N2CCOCC2)c(c2c1CN(C)CC2)C#N

STK525689
Synonyms: 9-amino-5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8(9H)-one
Smiles: CCc1nc2sc3c(c2c2c1CCCC2)ncn(c3=O)N

STK525690
Synonyms: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methoxyphenyl)-2-phenyl-3,5-dihydro-4H-imidazol-4-one
Smiles: COc1ccc(cc1)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)/N=C1c1ccccc1

STK525691
Synonyms: 6,6-dimethyl-3-(2-methylpropyl)-2-(methylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CSc1nc2sc3c(c2c(=O)n1CC(C)C)CC(OC3)(C)C

STK525692
Synonyms: 5-(2,6-dichloro-4-nitrophenyl)furan-2-carboxylicacid
Smiles: Clc1cc(cc(c1c1ccc(o1)C(=O)O)Cl)[N+](=O)[O-]

STK525693
Synonyms: 2,6-bis(5-bromo-2-hydroxyphenyl)-3,5-dimethylpiperidin-4-one
Smiles: CC1C(=O)C(C)C(NC1c1cc(Br)ccc1O)c1cc(Br)ccc1O

STK525695
Synonyms: N-{(2E)-3-(2-fluorophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}glycine
Smiles: OC(=O)CNC(=O)/C(=C\c1ccccc1F)/NC(=O)c1ccccc1

STK525697
Synonyms: 8-(benzylsulfanyl)-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]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2SCc1ccccc1

STK525698
Synonyms: 2-{(E)-[(Z)-[2-(1-benzyl-1H-benzimidazol-2-yl)hydrazinylidene](phenyl)methyl]diazenyl}phenol
Smiles: Oc1ccccc1/N=N/C(=N\Nc1nc2c(n1Cc1ccccc1)cccc2)/c1ccccc1

STK525700
Synonyms: 4-(4-tert-butylphenyl)-2-[(4-methoxybenzyl)sulfanyl]-6-phenylpyridine-3-carbonitrile
Smiles: COc1ccc(cc1)CSc1nc(cc(c1C#N)c1ccc(cc1)C(C)(C)C)c1ccccc1

STK525701
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCc1sc2c(c1)c(=O)n(c(n2)SCC(=O)c1ccc(cc1)Cl)c1ccccc1

STK525704
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7-methyl-3-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)SCC(=O)c1ccc(cc1)Cl)c1ccc(cc1)C

STK525705
Synonyms: 1-[(3-methylbutyl)sulfanyl]-4-phenyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC(CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCC3)C

STK525706
Synonyms: 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
Smiles: N#Cc1c(SCC(=O)C(C)(C)C)nc(cc1c1ccc(cc1)F)c1ccccc1

STK525707
Synonyms: (8S,8aS)-6-amino-8-(3-methylthiophen-2-yl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCN(C2)C(C)C)c1sccc1C)(C#N)C#N

STK525708
Synonyms: (5Z)-1-(2,5-dimethoxyphenyl)-5-[(1-methyl-1H-indol-3-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)C)/C1=O)OC

STK525712
Synonyms: 4-({(2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}amino)butanoicacid
Smiles: OC(=O)CCCNC(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccccc1

STK525713
Synonyms: 1-[2-hydroxy-3-(phenylamino)propyl]guanidine
Smiles: OC(CNC(=N)N)CNc1ccccc1

STK525714
Synonyms: 2-{(E)-[2-(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}-4-nitrophenol
Smiles: Oc1ccc(cc1/C=N/Nc1nnc2c(n1)n(C)c1c2cccc1)[N+](=O)[O-]

STK525717
Synonyms: 3-benzyl-7-tert-butyl-2-(butylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C3)C(C)(C)C

STK525718
Synonyms: 1-[(4-bromobenzyl)sulfanyl]-4-(2-methylphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: Brc1ccc(cc1)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1C)CCCCC3

STK525719
Synonyms: 8-(furan-2-yl)-6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3,3-dimethyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)c1ccco1)N1CCN(CC1)C(=O)c1ccco1

STK525720
Synonyms: 1-(hexylsulfanyl)-4-(4-methoxyphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: CCCCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

STK525721
Synonyms: (4E)-4-[(2E)-3-phenylprop-2-en-1-ylidene]-1H-isochromene-1,3(4H)-dione
Smiles: O=C1OC(=O)c2c(/C/1=C\C=C\c1ccccc1)cccc2

STK525727
Synonyms: (1E)-N-hydroxy-1-(pyridin-2-yl)heptadecan-1-imine
Smiles: CCCCCCCCCCCCCCCC/C(=N\O)/c1ccccn1

STK525728
Synonyms: N-(cyanomethyl)-2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indol]-1'(3'H)-yl)acetamide
Smiles: N#CCNC(=O)CN1c2ccccc2C(C21C=Cc1c(O2)ccc2c1cccc2)(C)C

STK525729
Synonyms: 3-benzyl-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: O=C(c1ccccc1)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(OC3)(C)C

STK525730
Synonyms: (6aS,8R,9R)-8-(2,4-dimethylphenyl)-9-(phenylcarbonyl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2ccc(cc2C)C)[C@@H](N2[C@H]1C=Cc1c2cccn1)C(=O)c1ccccc1

STK525737
Synonyms: 1,1'-ethane-1,2-diyldicyclopropanol
Smiles: OC1(CCC2(O)CC2)CC1

STK525738
Synonyms: N-[3-chloro-4-(2-methylpropoxy)benzyl]imidodicarbonimidicdiamide
Smiles: CC(COc1ccc(cc1Cl)CNC(=N)NC(=N)N)C

STK525739
Synonyms: 2-(heptylsulfanyl)-6,6-dimethyl-3-(2-methylpropyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCCCCCCSc1nc2sc3c(c2c(=O)n1CC(C)C)CC(OC3)(C)C

STK525740
Synonyms: pentyl6-[(5E)-4-oxo-5-{4-oxo-3-[6-oxo-6-(pentyloxy)hexyl]-2-thioxo-1,3-thiazolidin-5-ylidene}-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
Smiles: CCCCCOC(=O)CCCCCN1C(=S)S/C(=C\2/SC(=S)N(C2=O)CCCCCC(=O)OCCCCC)/C1=O

STK525742
Synonyms: 2-(dimethylamino)-5-methyl-1-(4-nitrophenyl)-4-(2-oxo-2-phenylethyl)-4,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile
Smiles: N#CC1=C(N(C)C)N(c2ccc(cc2)[N+](=O)[O-])c2c(C1CC(=O)c1ccccc1)n(C)c1c2cccc1

STK525744
Synonyms: 5-[4-(benzyloxy)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Smiles: O=C1CCCC2=C1C(Nc1c2c2ccccc2cc1)c1ccc(cc1)OCc1ccccc1

STK525745
Synonyms: 1-(heptylsulfanyl)-4-(4-methoxyphenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

STK525748
Synonyms: 5-bromo-2-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)phenol
Smiles: Brc1ccc(c(c1)O)C1N2CC3(CN1CC(C2)(C3)C)C

STK525750
Synonyms: N-[(1Z)-3-oxo-3-(phenylamino)-1-(pyridin-3-yl)prop-1-en-2-yl]benzamide
Smiles: O=C(/C(=C/c1cccnc1)/NC(=O)c1ccccc1)Nc1ccccc1

STK525751
Synonyms: 3-[(3-methylbutyl)amino]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(NCCC(C)C)nc(c2c1CCCC2)c1ccccc1

STK525754
Synonyms: 1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl(3,4-dichlorophenyl)carbamate
Smiles: O=C(OC(C(Cl)(Cl)Cl)CC(=O)c1ccc(cc1Cl)Cl)Nc1ccc(c(c1)Cl)Cl

STK525756
Synonyms: 1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1)CCCCC3

STK525757
Synonyms: (5Z)-1-butyl-5-[(1-methyl-1H-indol-3-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCCCN1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)C)/C1=O

STK525759
Synonyms: propan-2-yl(2E)-3-(furan-2-yl)prop-2-enoate
Smiles: CC(OC(=O)/C=C/c1ccco1)C

STK525760
Synonyms: diphenyl{[3-(nonyloxy)phenyl](phenylamino)methyl}phosphonate
Smiles: CCCCCCCCCOc1cccc(c1)C(P(=O)(Oc1ccccc1)Oc1ccccc1)Nc1ccccc1

STK525766
Synonyms: 2-hydrazinyl-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: NNc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3

STK525767
Synonyms: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]acetamide
Smiles: N#Cc1c(SCC(=O)Nc2nc3c(s2)cccc3)nc2c(c1c1ccccc1)CN(CC2)C

STK525769
Synonyms: ethyl4-(4-bromophenyl)-2-{[(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)Br)NC(=O)/C(=C/c1ccc(cc1)OC)/C#N

STK525770
Synonyms: ethyl6-amino-4-(4-chlorophenyl)-5-cyano-2-{[(5-cyano-2,4'-bipyridin-6-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc(ccc2C#N)c2ccncc2)OC(=C(C1c1ccc(cc1)Cl)C#N)N

STK525771
Synonyms: 4-({[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)benzoicacid
Smiles: N#Cc1c(SCc2ccc(cc2)C(=O)O)nc(cc1C(F)(F)F)c1cccs1

STK525772
Synonyms: 5-[4-(dodecyloxy)-3-methoxyphenyl]-10,15,20-tri(pyridin-3-yl)porphyrin
Smiles: CCCCCCCCCCCCOc1ccc(cc1OC)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4[nH]c(/C(=C/5\N=C1C=C5)/c1cccnc1)cc4)/c1cccnc1)/C=C3)\c1cccnc1)/[nH]2

STK525774
Synonyms: 4-(4-bromophenyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2cccs2)nc(cc1c1ccc(cc1)Br)c1cccs1

STK525775
Synonyms: 1-(hexylsulfanyl)-4-(4-methoxyphenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

STK525776
Synonyms: 4,7-di-tert-butyl-2,2,2-triphenyl-1,3,2lambda~5~-benzodioxaphosphole
Smiles: CC(c1ccc(c2c1OP(O2)(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C)(C)C

STK525777
Synonyms: 4-bromo-2-[(E)-(2-{[(pyridin-4-ylcarbonyl)amino]acetyl}hydrazinylidene)methyl]phenyl(2E)-3-(furan-2-yl)prop-2-enoate(non-preferredname)
Smiles: O=C(CNC(=O)c1ccncc1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1

STK525778
Synonyms: 6-(4-propoxybenzyl)-1,3,5-triazine-2,4-diamine
Smiles: CCCOc1ccc(cc1)Cc1nc(N)nc(n1)N

STK525779
Synonyms: 2-(4-{2-[(2-bromophenyl)carbonyl]hydrazinyl}-4-oxobutan-2-yl)hexanoicacid
Smiles: CCCCC(C(CC(=O)NNC(=O)c1ccccc1Br)C)C(=O)O

STK525780
Synonyms: 9-sulfanyl-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
Smiles: Sc1nnc2n1c(=O)c1c([nH]2)c2ccccc2CC21CCCC2

STK525782
Synonyms: (5Z)-5-(4-chlorobenzylidene)-3-(4-methoxyphenyl)-2-phenyl-3,5-dihydro-4H-imidazol-4-one
Smiles: COc1ccc(cc1)N1C(=O)/C(=C/c2ccc(cc2)Cl)/N=C1c1ccccc1

STK525784
Synonyms: [3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl](4-chlorophenyl)methanone
Smiles: COc1ccc(cc1)c1cc(nc2c1c(N)c(s2)C(=O)c1ccc(cc1)Cl)c1ccccc1

STK525786
Synonyms: 2-amino-4-(biphenyl-4-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)NC2=C(C1c1ccc(cc1)c1ccccc1)C(=O)CC(C2)(C)C

STK525788
Synonyms: 8-chloro-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]pyrimidine
Smiles: Clc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK525790
Synonyms: 2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N,N-diethylacetamide
Smiles: CCN(C(=O)CSc1nc(cc(c1C#N)c1ccc(c(c1)OC)OC)c1cccs1)CC

STK525792
Synonyms: ethyl5-(acetyloxy)-1-methyl-2-(morpholin-4-ylmethyl)-6,8-diphenyl-1,6-dihydropyrrolo[2,3-e]indazole-3-carboxylate
Smiles: CCOC(=O)c1c(CN2CCOCC2)n(c2c1cc(OC(=O)C)c1c2c(nn1c1ccccc1)c1ccccc1)C

STK525794
Synonyms: 4-benzyl-1-(butylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: CCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)CCCCC3

STK525795
Synonyms: 2-(hexylsulfanyl)-6-hydroxy-1-(prop-2-en-1-yl)pyrimidin-4(1H)-one
Smiles: CCCCCCSc1nc(=O)cc(n1CC=C)O

STK525796
Synonyms: (2E)-1-(3,5-dinitrophenyl)-2-[(3,4,5-trichlorothiophen-2-yl)methylidene]hydrazine
Smiles: Clc1c(Cl)sc(c1Cl)/C=N/Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK525797
Synonyms: 1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-cyclohexyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C1CCCCC1)CCCC3

STK525798
Synonyms: 1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C)CCCC3

STK525801
Synonyms: 2,7-bis[(dimethylamino)methyl]-1,8-bis(4-methoxyphenyl)octane-1,8-dione
Smiles: COc1ccc(cc1)C(=O)C(CN(C)C)CCCCC(C(=O)c1ccc(cc1)OC)CN(C)C

STK525802
Synonyms: propan-2-yl{[5-cyano-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}acetate
Smiles: N#Cc1c(SCC(=O)OC(C)C)nc(c2c1CC(C)(C)OC2)N1CCOCC1

STK525804
Synonyms: 5,5-diethyl-2-hydrazinyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Smiles: CCC1(CC)Cc2ccccc2c2c1c(=O)[nH]c(n2)NN

STK525805
Synonyms: 6-ethyl-2-methyl-3-(naphthalen-2-yloxy)-4-oxo-4H-chromen-7-ylN-(tert-butoxycarbonyl)glycinate
Smiles: CCc1cc2c(cc1OC(=O)CNC(=O)OC(C)(C)C)oc(c(c2=O)Oc1ccc2c(c1)cccc2)C

STK525806
Synonyms: 4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
Smiles: Clc1ccc(c(c1)Cl)C1C=C(Nc2n1c1ccccc1n2)c1ccccc1

STK525808
Synonyms: 6-[(4-fluorobenzyl)sulfanyl]-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(SCc2ccc(cc2)F)nc(c2c1CC(C)(C)OC2)N1CCOCC1

STK525809
Synonyms: 2-(3-butyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-[2-(diethylamino)ethyl]acetamide
Smiles: CCCCn1nc(CC(=O)NCCN(CC)CC)c2c(c1=O)cccc2

STK525810
Synonyms: 2-[(2-pentyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amino]ethanol
Smiles: CCCCCc1nc(NCCO)c2c(n1)sc1c2CCCC1

STK525811
Synonyms: 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(4-methylphenyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Nc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(c(c1)Cl)Cl

STK525812
Synonyms: 1-[3-amino-7-tert-butyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-2,2-dimethylpropan-1-one
Smiles: Nc1c2c(sc1C(=O)C(C)(C)C)nc1c(c2c2cccs2)CCC(C1)C(C)(C)C

STK525813
Synonyms: methylN-[(2-amino-5-bromophenyl)(2-chlorophenyl)methyl]glycinate
Smiles: COC(=O)CNC(c1ccccc1Cl)c1cc(Br)ccc1N

STK525814
Synonyms: (5Z)-1-benzyl-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)Cc1ccccc1

STK525816
Synonyms: 3-cyclohexyl-7-methyl-2-sulfanyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)S)C1CCCCC1

STK525822
Synonyms: N-(1,3-benzothiazol-2-yl)-2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)Nc1nc2c(s1)cccc2)c1cccs1

STK525824
Synonyms: 2-[(4-amino-7-propyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-phenylethanone
Smiles: CCCN1CCc2c(C1)sc1c2c(N)nc(n1)SCC(=O)c1ccccc1

STK525825
Synonyms: 2-[4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine
Smiles: NCCC1(CC(C)N(CC1C)C)c1ccc(cc1)OC

STK525826
Synonyms: (8R,8aS)-6-amino-2-(propan-2-yl)-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCN(C2)C(C)C)c1cccnc1)(C#N)C#N

STK525828
Synonyms: pentyl3-[(5E)-4-oxo-5-{4-oxo-3-[3-oxo-3-(pentyloxy)propyl]-2-thioxo-1,3-thiazolidin-5-ylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoate
Smiles: CCCCCOC(=O)CCN1C(=S)S/C(=C\2/SC(=S)N(C2=O)CCC(=O)OCCCCC)/C1=O

STK525829
Synonyms: 2-(diethylamino)ethyl4-hydroxy-3-methoxybenzoate
Smiles: CCN(CCOC(=O)c1ccc(c(c1)OC)O)CC

STK525830
Synonyms: 8-ethyl-3,3-dimethyl-6-(piperidin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)CC)N1CCCCC1

STK525831
Synonyms: 8-ethyl-3,3-dimethyl-6-oxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CCc1[nH]c(=O)c(c2c1CSC(C2)(C)C)C#N

STK525832
Synonyms: 5-ethyl-8-(propan-2-ylsulfanyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCc1nc2sc3c(c2c2c1CCCC2)ncnc3SC(C)C

STK525834
Synonyms: 1-phenyl-3-(quinolin-2-yl)benzo[f]quinoline
Smiles: c1ccc(cc1)c1cc(nc2c1c1ccccc1cc2)c1ccc2c(n1)cccc2

STK525835
Synonyms: 2,8,12,18-tetrabutyl-5,15-diethyl-3,7,13,17-tetramethylporphyrin
Smiles: CCCCC1=C(C)/C/2=C(\CC)/c3[nH]c(c(c3C)CCCC)/C=C/3\N=C(/C(=c/4\[nH]/c(=C\C1=N2)/c(CCCC)c4C)/CC)C(=C3CCCC)C

STK525837
Synonyms: 3-benzyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Clc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK525838
Synonyms: 4-[2-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)ethyl]-2,2-dimethyltetrahydro-2H-pyran-4-ol
Smiles: CN(c1ccc(cc1)/C=N/CCC1(O)CCOC(C1)(C)C)C

STK525839
Synonyms: ethyl5,5-dimethyl-2-[(phenylacetyl)amino]-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC(C)(C)SC2

STK525840
Synonyms: 1-(4-fluorophenyl)-4-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butan-1-one
Smiles: Fc1ccc(cc1)C(=O)CCCN1CCc2c(C1)c1cc(F)ccc1[nH]2

STK525841
Synonyms: 2,2-dimethyl-N-pentyl-5-phenyl-2,3-dihydro-1H-pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CCCCCNc1ncnc2c1sc1c2c2CC(C)(C)COc2c(n1)c1ccccc1

STK525843
Synonyms: N-[(1E)-3-(benzylamino)-1-(1,3-diphenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)N/C(=C/c1cn(nc1c1ccccc1)c1ccccc1)/C(=O)NCc1ccccc1

STK525844
Synonyms: 5-methoxy-N,N-dimethyl-5,5-diphenylpent-3-yn-1-amine
Smiles: COC(c1ccccc1)(c1ccccc1)C#CCCN(C)C

STK525845
Synonyms: N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbohydrazide
Smiles: CN(c1ccc(cc1)/C=N/NC(=O)c1cc(=O)n(c(=O)[nH]1)C)C

STK525846
Synonyms: 3-cyclohexyl-1-{5,5-dimethyl-3-[(naphthalen-1-ylcarbamoyl)amino]-2-thioxo-1,3-thiazolidin-4-yl}-1-hydroxyurea(non-preferredname)
Smiles: O=C(Nc1cccc2c1cccc2)NN1C(=S)SC(C1N(C(=O)NC1CCCCC1)O)(C)C

STK369875
Synonyms:
Smiles: O=C(OC1=C=CC2C(=C1)OC(=C(C2=O)Oc1ccccc1)C)CNC(=O)OC(C)(C)C