FULL DB

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

STK019505
Synonyms: 3-(methylsulfanyl)-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: CSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2

STK031557
Synonyms: 3-(ethylsulfanyl)-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: CCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2

STK057878
Synonyms: 3-(benzylsulfanyl)-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(SCc2ccccc2)nc(c2c1CCCC2)N1CCOCC1

STK063393
Synonyms: 1-[(2-hydroxyethyl)amino]-7-methyl-3-(morpholin-4-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: OCCNc1nc(N2CCOCC2)c(c2c1CN(C)CC2)C#N

STK096902
Synonyms: 1-(diethylamino)-7-methyl-3-(morpholin-4-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: CCN(c1nc(N2CCOCC2)c(c2c1CN(C)CC2)C#N)CC

STK093642
Synonyms: ethyl{[4-cyano-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2

STK056561
Synonyms: 3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(=S)[nH]c(c2c1CC(C)(C)SC2)N1CCCCC1

STK027364
Synonyms: 1-(piperazin-1-yl)-3-thioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(=S)[nH]c(c2c1CCCC2)N1CCNCC1

STK064641
Synonyms: 3-[(2-aminoethyl)amino]-1-(benzylamino)-7-methyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: NCCNc1nc(NCc2ccccc2)c2c(c1C#N)CCN(C2)C

STK093452
Synonyms: 3-[(2-aminoethyl)amino]-7-methyl-1-(piperidin-1-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: NCCNc1nc(N2CCCCC2)c2c(c1C#N)CCN(C2)C

STK051144
Synonyms: 7-methyl-1,3-di(piperidin-1-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: N#Cc1c(nc(c2c1CCN(C2)C)N1CCCCC1)N1CCCCC1

STK867846
Synonyms: 5'-bromo-2,3,4,9-tetrahydrospiro[beta-carboline-1,3'-indol]-2'(1'H)-one
Smiles: Brc1ccc2c(c1)C1(NCCc3c1[nH]c1c3cccc1)C(=O)N2

STK024835
Synonyms: 4,8-bis[(4-methylphenyl)sulfonyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCN2CC(C1)(CN(C2)S(=O)(=O)c1ccc(cc1)C)[N+](=O)[O-]

STK021663
Synonyms: 2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: Brc1ccc(c(c1)O)[C@@H]1N2CC3(CN1CC(C2)(C3=O)C)C

STK082065
Synonyms: 3,7-bis(bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Smiles: BrCC(=O)N1CC2(C)CN(CC(C1)(C2=O)C)C(=O)CBr

STK092437
Synonyms: 2-(3-bromophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: Brc1cccc(c1)[C@@H]1N2CC3(CN1CC(C2)(C3=O)C)C

STK024345
Synonyms: 5,7-dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: O=C1C2(C)CN3CC1(C)CN(C2)[C@@H]3c1ccc(cc1)[N+](=O)[O-]

STK094489
Synonyms: 2-[(E)-2-(1-methyl-1H-indol-3-yl)ethenyl]-3-phenylquinazolin-4(3H)-one
Smiles: Cn1cc(c2c1cccc2)/C=C/c1nc2ccccc2c(=O)n1c1ccccc1

STK067735
Synonyms: (5r,7s)-1'-benzyl-5,7-dimethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
Smiles: O=C1[C@]2(C)CN3C[C@@]1(C)CN(C2)[C@@]13c2ccccc2N(C1=O)Cc1ccccc1

STK094086
Synonyms: 3-(2-bromobenzyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane
Smiles: Brc1ccccc1CN1CC2(C)CNCC(C1)(C2)C

STK007536
Synonyms: 2-hydroxyethane-1,1,2-tricarboxylicacid-4-[(5s,7s)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl]phenol(1:1)
Smiles: OC(=O)C(C(C(=O)O)O)C(=O)O.Oc1ccc(cc1)C1N2C[C@]3(CN1C[C@@](C2)(C3)C)C

STK049842
Synonyms: 1,3,6-triazatricyclo[4.3.1.1~3,8~]undecan-8-amine
Smiles: NC12CN3CCN(C1)CN(C2)C3

STK015833
Synonyms: 1,1'-(5-nitro-1,3,7-triazabicyclo[3.3.1]nonane-3,7-diyl)diethanone
Smiles: CC(=O)N1CN2CN(CC(C1)(C2)[N+](=O)[O-])C(=O)C

STK072123
Synonyms: 5,7-dimethyl-2-(1-methyl-1H-indol-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: Cn1c(cc2c1cccc2)[C@@H]1N2CC3(CN1CC(C2)(C3=O)C)C

STK083244
Synonyms: N-(pyridin-3-ylcarbonyl)asparticacid
Smiles: OC(=O)CC(C(=O)O)NC(=O)c1cccnc1

STK053422
Synonyms: 3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Smiles: [O-][N+](=O)c1ccc(cc1)c1csc2=NCCn12

STK095003
Synonyms: 3-(5-bromo-2-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Smiles: CCCOc1ccc(cc1c1csc2=NCCn12)Br

STK027273
Synonyms: 4-bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol
Smiles: Brc1ccc(c(c1)c1csc2=NCCn12)O

STK007044
Synonyms: 3-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Smiles: Fc1ccc(cc1)c1csc2=NCCn12

STK035174
Synonyms: 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Smiles: Clc1ccc(cc1)c1csc2=NCCn12

STK004026
Synonyms: 3-[(4-methoxybenzyl)sulfanyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)CSc1nnc([nH]1)c1ccc(cc1)OC

STK073842
Synonyms: 3-[(4-methoxybenzyl)sulfanyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-amine
Smiles: COc1ccc(cc1)CSc1nnc(n1N)c1ccc(cc1)OC

STK032469
Synonyms: 6-(4-methoxybenzyl)-1,3,5-triazine-2,4-diamine
Smiles: COc1ccc(cc1)Cc1nc(N)nc(n1)N

STK002749
Synonyms: N,N-diethyl-N-methyl-2-{[(3-methyl-1-benzofuran-2-yl)carbonyl]oxy}ethanaminium
Smiles: CC[N+](CCOC(=O)c1oc2c(c1C)cccc2)(CC)C

STK095382
Synonyms: N-(1-benzofuran-2-ylmethyl)-N-ethyl-N,N',N',N'-tetramethylethane-1,2-diaminium
Smiles: CC[N+](Cc1cc2c(o1)cccc2)(CC[N+](C)(C)C)C

STK013311
Synonyms: N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
Smiles: O=C(c1cc2c(o1)cccc2)NCCc1ccc(cc1)S(=O)(=O)N

STK007396
Synonyms: 1-{3-[(diethylamino)methyl]-4-methoxyphenyl}ethanone
Smiles: CCN(Cc1cc(ccc1OC)C(=O)C)CC

STK049856
Synonyms: N-(1-benzofuran-2-ylmethyl)-N,N',N',N'-tetraethyl-N-methyldecane-1,10-diaminium
Smiles: CC[N+](Cc1cc2c(o1)cccc2)(CCCCCCCCCC[N+](CC)(CC)CC)C

STK046340
Synonyms: N-(1-benzofuran-2-ylmethyl)-N,N',N',N'-tetraethyl-N-methylheptane-1,7-diaminium
Smiles: CC[N+](Cc1cc2c(o1)cccc2)(CCCCCCC[N+](CC)(CC)CC)C

STK080341
Synonyms: N,N,N,2-tetramethyl-3-{[(5-methyl-1-benzofuran-2-yl)carbonyl]oxy}butan-1-aminium
Smiles: CC(C(OC(=O)c1cc2c(o1)ccc(c2)C)C)C[N+](C)(C)C

STK096056
Synonyms: N,N,N-trimethyl-3-{[(3-methyl-1-benzofuran-2-yl)carbonyl]oxy}butan-1-aminium
Smiles: CC(OC(=O)c1oc2c(c1C)cccc2)CC[N+](C)(C)C

STK068053
Synonyms: 3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: COc1ccc(cc1)n1c(=S)[nH]c2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK048406
Synonyms: 3-(4-methoxyphenyl)-4,6-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexane]-2(3H)-thione
Smiles: COc1ccc(cc1)N1CC2=C(NC1=S)c1ccccc1CC12CCCCC1

STK082915
Synonyms: 3-[(3-methyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)amino]propan-1-ol
Smiles: OCCCNC1=NC2=C(CN1C)C1(Cc3c2cccc3)CCCCC1

STK023438
Synonyms: 2-chloro-N-(chloroacetyl)-N-(1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)acetamide
Smiles: ClCC(=O)N(C1=CC2(CCCC2)Cc2c1cccc2)C(=O)CCl

STK089244
Synonyms: 2-(aminomethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: NCc1nc2c3ccccc3CC3(c2c(=O)[nH]1)CCCC3

STK010559
Synonyms: 2-{[4-imino-3-(prop-2-en-1-yl)-3,4b,5,6,7,7a-hexahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-1-phenylethanone
Smiles: C=CCn1c(SCC(=O)c2ccccc2)nc2c(c1=N)C1CCCC1S2

STK056837
Synonyms: 2,2'-[(4-chlorophenyl)methanediyl]bis[5-(4-methoxyphenyl)cyclohexane-1,3-dione]
Smiles: COc1ccc(cc1)C1CC(=O)C(C(=O)C1)C(C1C(=O)CC(CC1=O)c1ccc(cc1)OC)c1ccc(cc1)Cl

STK091980
Synonyms: 2,2'-[(4-nitrophenyl)methanediyl]bis[5-(4-methoxyphenyl)cyclohexane-1,3-dione]
Smiles: COc1ccc(cc1)C1CC(=O)C(C(=O)C1)C(C1C(=O)CC(CC1=O)c1ccc(cc1)OC)c1ccc(cc1)[N+](=O)[O-]

STK046165
Synonyms: 2,2'-[(4-hydroxyphenyl)methanediyl]bis[5-(4-methoxyphenyl)cyclohexane-1,3-dione]
Smiles: COc1ccc(cc1)C1CC(=O)C(C(=O)C1)C(C1C(=O)CC(CC1=O)c1ccc(cc1)OC)c1ccc(cc1)O

STK026768
Synonyms: 2,2'-{[4-(propan-2-yloxy)phenyl]methanediyl}bis[5-(4-methoxyphenyl)cyclohexane-1,3-dione]
Smiles: COc1ccc(cc1)C1CC(=O)C(C(=O)C1)C(C1C(=O)CC(CC1=O)c1ccc(cc1)OC)c1ccc(cc1)OC(C)C

STK078722
Synonyms: 2,2'-{[4-(dimethylamino)phenyl]methanediyl}bis[5-(4-methoxyphenyl)cyclohexane-1,3-dione]
Smiles: COc1ccc(cc1)C1CC(=O)C(C(=O)C1)C(C1C(=O)CC(CC1=O)c1ccc(cc1)OC)c1ccc(cc1)N(C)C

STK055106
Synonyms: 2,2'-[(2,4-dichlorophenyl)methanediyl]bis[5-(4-methoxyphenyl)cyclohexane-1,3-dione]
Smiles: COc1ccc(cc1)C1CC(=O)C(C(=O)C1)C(c1ccc(cc1Cl)Cl)C1C(=O)CC(CC1=O)c1ccc(cc1)OC

STK035669
Synonyms: 2,2'-{[4-(prop-2-en-1-yloxy)phenyl]methanediyl}bis(5-phenylcyclohexane-1,3-dione)
Smiles: C=CCOc1ccc(cc1)C(C1C(=O)CC(CC1=O)c1ccccc1)C1C(=O)CC(CC1=O)c1ccccc1

STK054814
Synonyms: 2,2'-{[4-(dimethylamino)phenyl]methanediyl}bis(5-phenylcyclohexane-1,3-dione)
Smiles: CN(c1ccc(cc1)C(C1C(=O)CC(CC1=O)c1ccccc1)C1C(=O)CC(CC1=O)c1ccccc1)C

STK004753
Synonyms: 2,2'-[(4-benzylphenyl)methanediyl]bis(5-phenylcyclohexane-1,3-dione)
Smiles: O=C1CC(CC(=O)C1C(C1C(=O)CC(CC1=O)c1ccccc1)c1ccc(cc1)Cc1ccccc1)c1ccccc1

STK016503
Synonyms: 2,2'-[(3-nitrophenyl)methanediyl]bis(5-phenylcyclohexane-1,3-dione)
Smiles: O=C1CC(CC(=O)C1C(C1C(=O)CC(CC1=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK013427
Synonyms: 2,2'-{[4-(propan-2-yloxy)phenyl]methanediyl}bis(5-phenylcyclohexane-1,3-dione)
Smiles: CC(Oc1ccc(cc1)C(C1C(=O)CC(CC1=O)c1ccccc1)C1C(=O)CC(CC1=O)c1ccccc1)C

STK012010
Synonyms: 6-acetyl-5-phenyl-3-(thiophen-2-yl)cyclohex-2-en-1-one
Smiles: CC(=O)C1C(=O)C=C(CC1c1ccccc1)c1cccs1

STK012187
Synonyms: 2-[4-oxo-4-(prop-2-en-1-ylamino)butan-2-yl]heptanoicacid
Smiles: CCCCCC(C(CC(=O)NCC=C)C)C(=O)O

STK061108
Synonyms: 1-ethyl5-methyl2-(2-amino-1,3-thiazol-4-yl)-2-butylpentanedioate
Smiles: CCCCC(c1csc(n1)N)(C(=O)OCC)CCC(=O)OC

STK079779
Synonyms: 1-ethyl5-methyl2-[(1H-benzimidazol-2-ylsulfanyl)acetyl]-2-butylpentanedioate
Smiles: CCCCC(C(=O)OCC)(C(=O)CSc1nc2c([nH]1)cccc2)CCC(=O)OC

STK029644
Synonyms: 5-methyl-5-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}dihydrofuran-2(3H)-one
Smiles: O=C1CCC(O1)(C)c1csc(n1)Nc1ccc(cc1)C

STK075164
Synonyms: 3-[(2-methyl-1H-indol-3-yl)methyl]-5-pentyldihydrofuran-2(3H)-one
Smiles: CCCCCC1OC(=O)C(C1)Cc1c(C)[nH]c2c1cccc2

STK085445
Synonyms: 5-hexyl-3-[(2-methyl-1H-indol-3-yl)methyl]dihydrofuran-2(3H)-one
Smiles: CCCCCCC1OC(=O)C(C1)Cc1c(C)[nH]c2c1cccc2

STK026256
Synonyms: 3-(4-butyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoicacid
Smiles: CCCCC1(CCC(=O)O)C(=O)NN=C1C

STK055045
Synonyms: 2-(2-amino-1,3-thiazol-4-yl)-2-butylpentanedioicacid
Smiles: CCCCC(c1csc(n1)N)(C(=O)O)CCC(=O)O

STK095802
Synonyms: 2-(2-benzyl-5-butoxy-4-hydroxypentanoyl)-N-phenylhydrazinecarbothioamide(non-preferredname)
Smiles: CCCCOCC(CC(C(=O)NNC(=S)Nc1ccccc1)Cc1ccccc1)O

STK020597
Synonyms: 1-(3-methylbutoxy)-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]butan-2-ol
Smiles: C=CCn1c(CCC(COCCC(C)C)O)nnc1S

STK038471
Synonyms: 1-(pentyloxy)-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]butan-2-ol
Smiles: CCCCCOCC(CCc1nnc(n1CC=C)S)O

STK074519
Synonyms: 4-(ethoxycarbonyl)-4-[2-(phenylamino)-1,3-thiazol-4-yl]octanoicacid
Smiles: CCCCC(c1csc(n1)Nc1ccccc1)(C(=O)OCC)CCC(=O)O

STK867848
Synonyms: ethyl5,5-dimethyl-2-[(phenylacetyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC(C)(C)OC2

STK008274
Synonyms: [(2E,6Z)-2-benzylidene-6-{[cyclohexa-2,4-dien-1-yl(diphenyl)phosphonio]methyl}-4-oxo-7-phenylhept-6-en-1-yl](triphenyl)phosphonium
Smiles: O=C(C/C(=C\c1ccccc1)/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C/C(=C/c1ccccc1)/C[P+](c1ccccc1)(c1ccccc1)C1CC=CC=C1

STK010751
Synonyms: 2,2'-[ethane-1,2-diylbis(oxybenzene-4,1-diyl)]dibutanedioicacid
Smiles: OC(=O)C(c1ccc(cc1)OCCOc1ccc(cc1)C(C(=O)O)CC(=O)O)CC(=O)O

STK086874
Synonyms: tetraethyl2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diylmethylylidene)]dipropanedioate
Smiles: CCOC(=O)C(=Cc1ccc(cc1)OCCCCCOc1ccc(cc1)C=C(C(=O)OCC)C(=O)OCC)C(=O)OCC

STK075044
Synonyms: tetraethyl2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diylmethylylidene)]dipropanedioate
Smiles: CCOC(=O)C(=Cc1ccc(cc1)OCCCCCCCOc1ccc(cc1)C=C(C(=O)OCC)C(=O)OCC)C(=O)OCC

STK072004
Synonyms: 10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-thiopyrano[4',3':4,5]furo[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-3(2H)-thione
Smiles: CSc1nc2oc3c(c2c2n1c(=S)[nH]n2)CC(SC3)(C)C

STK050348
Synonyms: 3-(4-ethoxyphenyl)-3-methyl-1,4-bis(morpholin-4-ylmethyl)pyrrolidine-2,5-dione
Smiles: CCOc1ccc(cc1)C1(C)C(CN2CCOCC2)C(=O)N(C1=O)CN1CCOCC1

STK011900
Synonyms: 3-(4-methoxyphenyl)-3-methyl-1,4-bis(morpholin-4-ylmethyl)pyrrolidine-2,5-dione
Smiles: COc1ccc(cc1)C1(C)C(CN2CCOCC2)C(=O)N(C1=O)CN1CCOCC1

STK083716
Synonyms: (5S,5'R)-3,3'-hexane-1,6-diylbis(5-methyl-5-{4-[(5-methylhexyl)oxy]phenyl}imidazolidine-2,4-dione)
Smiles: CC(CCCCOc1ccc(cc1)[C@]1(C)NC(=O)N(C1=O)CCCCCCN1C(=O)N[C@](C1=O)(C)c1ccc(cc1)OCCCCC(C)C)C

STK035826
Synonyms: 5,5'-hexane-1,6-diylbis(5-phenylimidazolidine-2,4-dione)
Smiles: O=C1NC(=O)NC1(CCCCCCC1(NC(=O)NC1=O)c1ccccc1)c1ccccc1

STK011251
Synonyms: methylN'-[(E)-(3-formyl-2-hydroxy-5-methylphenyl)methylidene]carbamohydrazonothioate
Smiles: CS/C(=N/N=C/c1cc(C)cc(c1O)C=O)/N

STK022975
Synonyms: 3-formyl-2-hydroxybenzoicacid
Smiles: O=Cc1cccc(c1O)C(=O)O

STK047542
Synonyms: 2-hydroxy-3-[(E)-(hydroxyimino)methyl]benzoicacid
Smiles: O/N=C/c1cccc(c1O)C(=O)O

STK075157
Synonyms: 3-[(E)-(2-carbamoylhydrazinylidene)methyl]-2-hydroxybenzoicacid
Smiles: NC(=O)N/N=C/c1cccc(c1O)C(=O)O

STK099442
Synonyms: 3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoicacid
Smiles: NC(=S)N/N=C/c1cccc(c1O)C(=O)O

STK048263
Synonyms: 2-hydroxy-3-[(E)-{2-[imino(methylsulfanyl)methyl]hydrazinylidene}methyl]benzoicacid
Smiles: CSC(=N)N/N=C/c1cccc(c1O)C(=O)O

STK056228
Synonyms: 2-hydroxy-3-{(E)-[2-(phenylcarbamothioyl)hydrazinylidene]methyl}benzoicacid
Smiles: S=C(Nc1ccccc1)N/N=C/c1cccc(c1O)C(=O)O

STK062163
Synonyms: (2E,2'E)-2,2'-[(2-hydroxy-5-methylbenzene-1,3-diyl)di(E)methylylidene]bis(N-phenylhydrazinecarbothioamide)
Smiles: S=C(Nc1ccccc1)N/N=C/c1cc(C)cc(c1O)/C=N/NC(=S)Nc1ccccc1

STK039637
Synonyms: methyl3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoate
Smiles: COC(=O)c1cccc(c1O)/C=N/NC(=S)N

STK072926
Synonyms: N-(pyridin-3-ylcarbonyl)methionine
Smiles: CSCCC(C(=O)O)NC(=O)c1cccnc1

STK043511
Synonyms: 2-(1,3-benzodioxol-5-yl)-5-(4-nitrophenyl)-1,3-oxazolidine
Smiles: [O-][N+](=O)c1ccc(cc1)C1CNC(O1)c1ccc2c(c1)OCO2

STK023902
Synonyms: 2-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]phenol
Smiles: Oc1ccccc1C1NCC(O1)c1ccc(cc1)[N+](=O)[O-]

STK060752
Synonyms: 5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine
Smiles: [O-][N+](=O)c1ccc(cc1)C1CNC(O1)c1ccccc1

STK026929
Synonyms: 2-methoxy-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]phenol
Smiles: COc1cc(ccc1O)C1NCC(O1)c1ccc(cc1)[N+](=O)[O-]

STK089436
Synonyms: N,N-diethyl-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]aniline
Smiles: CCN(c1ccc(cc1)C1NCC(O1)c1ccc(cc1)[N+](=O)[O-])CC

STK077248
Synonyms: 1-[2-(2-methoxyphenyl)-1,3-oxazolidin-3-yl]ethanone
Smiles: COc1ccccc1C1OCCN1C(=O)C

STK032337
Synonyms: 1-[2-methyl-2-(4-nitrophenyl)-1,3-oxazolidin-3-yl]ethanone
Smiles: CC(=O)N1CCOC1(C)c1ccc(cc1)[N+](=O)[O-]

STK056683
Synonyms: 4-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1-(2-oxo-2-phenylethyl)-1H-1,2,4-triazol-4-ium
Smiles: Clc1ccc(c(c1)Cl)C(=O)C[n+]1cnn(c1)CC(=O)c1ccccc1

STK054057
Synonyms: 4-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium
Smiles: COc1ccc(cc1)C(=O)C[n+]1cnn(c1)CC(=O)c1ccc(cc1)C

STK066939
Synonyms: 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-(2-ethoxy-2-oxoethyl)-1H-1,2,4-triazol-4-ium
Smiles: CCOC(=O)C[n+]1cnn(c1)CC(=O)c1ccc(cc1Cl)Cl

STK054746
Synonyms: 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-[2-(4-nitrophenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium
Smiles: Clc1ccc(c(c1)Cl)C(=O)Cn1nc[n+](c1)CC(=O)c1ccc(cc1)[N+](=O)[O-]

STK023456
Synonyms: 1,4-bis[2-(2,4-dichlorophenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium
Smiles: Clc1ccc(c(c1)Cl)C(=O)C[n+]1cnn(c1)CC(=O)c1ccc(cc1Cl)Cl

STK094459
Synonyms: 1-benzyl-4-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium
Smiles: Clc1ccc(c(c1)Cl)C(=O)C[n+]1cnn(c1)Cc1ccccc1

STK004591
Synonyms: 1,3-bis[2-(2,4-dichlorophenyl)-2-oxoethyl]-1H-imidazol-3-ium
Smiles: Clc1ccc(c(c1)Cl)C(=O)Cn1cc[n+](c1)CC(=O)c1ccc(cc1Cl)Cl

STK018522
Synonyms: 1,3-bis(2-oxo-2-phenylethyl)-1H-imidazol-3-ium
Smiles: O=C(c1ccccc1)Cn1cc[n+](c1)CC(=O)c1ccccc1

STK064878
Synonyms: 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium
Smiles: COc1ccc(cc1)C(=O)C[n+]1cnn(c1)CC(=O)c1ccc(cc1Cl)Cl

STK043223
Synonyms: 4-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-oxo-2-phenylethyl)-1H-1,2,4-triazol-4-ium
Smiles: COc1ccc(cc1)C(=O)C[n+]1cnn(c1)CC(=O)c1ccccc1

STK049398
Synonyms: 1,4-bis[2-(4-nitrophenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Cn1nc[n+](c1)CC(=O)c1ccc(cc1)[N+](=O)[O-]

STK070777
Synonyms: 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-(prop-2-en-1-yl)-1H-1,2,4-triazol-4-ium
Smiles: C=CC[n+]1cnn(c1)CC(=O)c1ccc(cc1Cl)Cl

STK001395
Synonyms: 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-ethyl-1H-1,2,4-triazol-4-ium
Smiles: CC[n+]1cnn(c1)CC(=O)c1ccc(cc1Cl)Cl

STK077876
Synonyms: 4-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazol-4-ium
Smiles: CCCC1COC(O1)(Cn1nc[n+](c1)CC(=O)c1ccc(cc1Cl)Cl)c1ccc(cc1Cl)Cl

STK076950
Synonyms: 1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-4-ethyl-1H-1,2,4-triazol-4-ium
Smiles: CCCC1COC(O1)(Cn1nc[n+](c1)CC)c1ccc(cc1Cl)Cl

STK094024
Synonyms: 1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-4-methyl-1H-1,2,4-triazol-4-ium
Smiles: CCCC1COC(O1)(Cn1nc[n+](c1)C)c1ccc(cc1Cl)Cl

STK192114
Synonyms: 2-[(1R,2S,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]ethylacetate
Smiles: CC(=O)OCC[C@H]1[C@@](C)(O)CCC2[C@]1(C)CCCC2(C)C

STK038038
Synonyms: methyl(2E)-2-{2-hydroxy-5-methyl-3-[(E)-{2-[(methylsulfanyl)(phenylamino)methyl]hydrazinylidene}methyl]benzylidene}-N-phenylhydrazinecarbimidothioate
Smiles: CSC(Nc1ccccc1)N/N=C/c1cc(C)cc(c1O)/C=N/N/C(=N/c1ccccc1)/SC

STK066262
Synonyms: methyl(2E)-2-(5-chloro-2-hydroxybenzylidene)-N-phenylhydrazinecarbimidothioate
Smiles: CS/C(=N\c1ccccc1)/N/N=C/c1cc(Cl)ccc1O

STK018209
Synonyms: methyl(2E)-2-(5-bromo-2-hydroxybenzylidene)-N-phenylhydrazinecarbimidothioate
Smiles: CS/C(=N\c1ccccc1)/N/N=C/c1cc(Br)ccc1O

STK030212
Synonyms: 3-[(E)-{(2Z)-[amino(propylsulfanyl)methylidene]hydrazinylidene}methyl]-2-hydroxybenzoicacid
Smiles: CCCS/C(=N\N=C\c1cccc(c1O)C(=O)O)/N

STK086658
Synonyms: 3-[(E)-{(2Z)-[amino(pentylsulfanyl)methylidene]hydrazinylidene}methyl]-2-hydroxybenzoicacid
Smiles: CCCCCS/C(=N\N=C\c1cccc(c1O)C(=O)O)/N

STK025104
Synonyms: 5-methoxy-2-methyl-1-benzofuran-3-carboxamide
Smiles: COc1ccc2c(c1)c(C(=O)N)c(o2)C

STK054946
Synonyms: 3-methyl-1-benzofuran-2-carboxylicacid
Smiles: OC(=O)c1oc2c(c1C)cccc2

STK074673
Synonyms: 3-(4-methoxyphenyl)-2,5-dimethyl-1-benzofuran
Smiles: COc1ccc(cc1)c1c(C)oc2c1cc(C)cc2

STK032381
Synonyms: 5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran
Smiles: COc1ccc(cc1)c1c(C)oc2c1cc(Cl)cc2

STK035698
Synonyms: 2-methyl-3-(phenylcarbonyl)-1-benzofuran-5-ylacetate
Smiles: CC(=O)Oc1ccc2c(c1)c(c(o2)C)C(=O)c1ccccc1

STK007218
Synonyms: 3-(4-chlorophenyl)-2,5-dimethyl-1-benzofuran
Smiles: Clc1ccc(cc1)c1c(C)oc2c1cc(C)cc2

STK068635
Synonyms: ethyl6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-2-{[methyl(phenyl)amino]methyl}-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(CN(c2ccccc2)C)oc2c1c(CN(C)C)c(c(c2)Br)O

STK024107
Synonyms: 2,6-diphenyl-1-benzofuran-4-ylacetate
Smiles: CC(=O)Oc1cc(cc2c1cc(o2)c1ccccc1)c1ccccc1

STK020122
Synonyms: 6-methoxy-3-(4-methoxyphenyl)-2-methyl-1-benzofuran
Smiles: COc1ccc(cc1)c1c(C)oc2c1ccc(c2)OC

STK002354
Synonyms: dibenzo[b,d]furan-3,7-diol
Smiles: Oc1ccc2c(c1)oc1c2ccc(c1)O

STK044678
Synonyms: ethyl2-(3,5-dibromo-4-methoxyphenyl)-5-hydroxy-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(O)cc2)c1cc(Br)c(c(c1)Br)OC

STK079400
Synonyms: ethyl2-(3,5-dichloro-4-methoxyphenyl)-5-hydroxy-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(O)cc2)c1cc(Cl)c(c(c1)Cl)OC

STK040399
Synonyms: 2-(diethylamino)ethyl5-methoxy-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCN(CCOC(=O)c1c(C)oc2c1cc(OC)cc2)CC

STK082572
Synonyms: 2-(diethylamino)ethyl4-chloro-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCN(CCOC(=O)c1c(C)oc2c1c(Cl)c(cc2)O)CC

STK007127
Synonyms: (5-methoxy-2-methyl-1-benzofuran-3-yl)(5-nitro-1-benzofuran-2-yl)methanol
Smiles: COc1ccc2c(c1)c(c(o2)C)C(c1oc2c(c1)cc(cc2)[N+](=O)[O-])O

STK034330
Synonyms: ethyl6-bromo-5-hydroxy-1-methyl-2-[(pyridin-2-ylsulfanyl)methyl]-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c2cc(O)c(cc2n(c1CSc1ccccn1)C)Br

STK004935
Synonyms: ethyl2-[(cyclohexylsulfanyl)methyl]-5-hydroxy-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(CSC2CCCCC2)oc2c1cc(O)cc2

STK012827
Synonyms: N-{[5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methyl}-N-ethylethanamine
Smiles: CCN(Cc1oc2c(c1c1ccc(cc1)OC)cc(cc2)Cl)CC

STK024842
Synonyms: ethyl6-bromo-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c2cc(O)c(cc2n(c1CSc1ccccc1)C)Br

STK009581
Synonyms: ethyl6-bromo-2-{[(4-chlorophenyl)sulfanyl]methyl}-5-hydroxy-1-methyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c2cc(O)c(cc2n(c1CSc1ccc(cc1)Cl)C)Br

STK041758
Synonyms: 3-phenyl-1-benzofuran-5-ylacetate
Smiles: CC(=O)Oc1ccc2c(c1)c(co2)c1ccccc1

STK052012
Synonyms: 3-(4-chlorophenyl)-2,6-dimethyl-1-benzofuran
Smiles: Clc1ccc(cc1)c1c(C)oc2c1ccc(c2)C

STK022559
Synonyms: 3-(4-chlorophenyl)-6-methoxy-2-methyl-1-benzofuran
Smiles: COc1ccc2c(c1)oc(c2c1ccc(cc1)Cl)C

STK073919
Synonyms: 3-(4-methoxyphenyl)-2,6-dimethyl-1-benzofuran
Smiles: COc1ccc(cc1)c1c(C)oc2c1ccc(c2)C

STK037449
Synonyms: ethyl5-(acetyloxy)-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(CSC#N)oc2c1cc(cc2)OC(=O)C

STK083464
Synonyms: ethyl4-chloro-6-[(dimethylamino)methyl]-5-hydroxy-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(CSc2ccccc2)oc2c1c(Cl)c(c(c2)CN(C)C)O

STK040495
Synonyms: 2-methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-ylacetate
Smiles: CC(=O)Oc1c(cc2c(c1[N+](=O)[O-])c(c(o2)C)C(=O)c1ccccc1)[N+](=O)[O-]

STK006405
Synonyms: (5-methoxy-1-benzofuran-2-yl)(5-methoxy-2-methyl-1-benzofuran-3-yl)methanone
Smiles: COc1ccc2c(c1)cc(o2)C(=O)c1c(C)oc2c1cc(OC)cc2

STK018827
Synonyms: ethyl2-[(benzylsulfanyl)methyl]-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(CSCc2ccccc2)oc2c1c(CN(C)C)c(cc2)O

STK741155
Synonyms: 1-{2-[(benzylsulfanyl)methyl]-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-yl}ethanone
Smiles: CN(Cc1c(O)ccc2c1c(C(=O)C)c(o2)CSCc1ccccc1)C

STK086695
Synonyms: ethyl2-({[2-(diethylamino)ethyl]sulfanyl}methyl)-5-methoxy-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(CSCCN(CC)CC)oc2c1cc(OC)cc2

STK952792
Synonyms: (5E)-5-(2-chlorobenzylidene)-3-[(dimethylamino)methyl]-1,3-thiazolidine-2,4-dione
Smiles: CN(CN1C(=O)S/C(=C/c2ccccc2Cl)/C1=O)C

STL021152
Synonyms: (2E)-2-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
Smiles: O=C1N/C(=N\N=C\c2ccccc2O)/SC1C

STK338163
Synonyms: 5-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione
Smiles: O=C1NC(=O)SC1Cc1ccc(cc1)C

STL021198
Synonyms: (2E)-2-(1,3-benzothiazol-2(3H)-ylidene)-3-(morpholin-4-yl)-3-oxopropanenitrile
Smiles: N#C/C(=c/1\sc2c([nH]1)cccc2)/C(=O)N1CCOCC1

STK414967
Synonyms: 2-cyano-N-(2,5-dichlorophenyl)acetamide
Smiles: Clc1ccc(cc1NC(=O)CC#N)Cl

STK414969
Synonyms: 2-cyano-N-(1,3-thiazol-2-yl)acetamide
Smiles: N#CCC(=O)Nc1nccs1

STK414971
Synonyms: 2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
Smiles: N#CCC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C

STL021381
Synonyms: 2-(4-acetylphenyl)-1-cyanoethylthiocyanate
Smiles: N#CC(Cc1ccc(cc1)C(=O)C)SC#N

STL021387
Synonyms: (4-phenyl-1,3-thiazol-2(3H)-ylidene)propanedinitrile
Smiles: N#CC(=c1scc([nH]1)c1ccccc1)C#N

STK347686
Synonyms: 2-cyano-N-(naphthalen-1-yl)acetamide
Smiles: N#CCC(=O)Nc1cccc2c1cccc2

STL021426
Synonyms: 1-(3-phenyl-2,1-benzoxazol-5-yl)ethanone
Smiles: CC(=O)c1ccc2c(c1)c(on2)c1ccccc1

STL021555
Synonyms: (2Z)-2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)ethanamide
Smiles: N#C/C(=C\1/SCC(=O)N1c1ccccc1)/C(=O)N

STK740634
Synonyms: (2Z)-2-[5-(4-fluorobenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile
Smiles: N#C/C(=C\1/SC(C(=O)N1)Cc1ccc(cc1)F)/C(=O)C

STK740645
Synonyms: (2Z)-2-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-oxobutanenitrile
Smiles: N#C/C(=C\1/SC(C(=O)N1)Cc1ccccc1)/C(=O)C

STK867570
Synonyms: (2E)-2-(1,3-benzothiazol-2(3H)-ylidene)-3-oxo-3-(piperidin-1-yl)propanenitrile
Smiles: N#C/C(=c/1\sc2c([nH]1)cccc2)/C(=O)N1CCCCC1

STL021573
Synonyms: methyl(2Z)-cyano(4-methyl-3-phenyl-1,3-thiazol-2(3H)-ylidene)ethanoate
Smiles: N#C/C(=c\1/scc(n1c1ccccc1)C)/C(=O)OC

STL021576
Synonyms: N-(2-chlorophenyl)-2-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1ccccc1Cl)CC1=NC(=O)CS1

STL022495
Synonyms: (2E)-2-(1,3-benzothiazol-2(3H)-ylidene)-2-cyano-N-phenylethanamide
Smiles: N#C/C(=c/1\sc2c([nH]1)cccc2)/C(=O)Nc1ccccc1

STL022502
Synonyms: 2-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CC1=NC(=O)CS1

STK740815
Synonyms: 2'-(furan-2-yl)-1',10b'-dihydrospiro[cyclopentane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: c1coc(c1)C1=NN2C(C1)c1ccccc1OC12CCCC1

STL022639
Synonyms: 5-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1H-1,2,3-triazole-4-carboxamide
Smiles: O=C(c1nnn(c1C)c1ccccc1)Nc1nccs1

STL022677
Synonyms: 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
Smiles: Cc1ccc(cc1)n1nnc(c1C)C(=O)Nc1noc(c1)C

STL022721
Synonyms: (5E)-5-(pyridin-3-ylmethylidene)-4-thioxo-1,3-thiazolidin-2-one
Smiles: O=C1NC(=S)/C(=C\c2cccnc2)/S1

STL022725
Synonyms: (5E)-5-(2H-chromen-3-ylmethylidene)-4-thioxo-1,3-thiazolidin-2-one
Smiles: O=C1NC(=S)/C(=C\C2=Cc3c(OC2)cccc3)/S1

STK867622
Synonyms: (5Z)-5-[(2-methyl-2H-chromen-3-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1NC(=O)/C(=C/C2=Cc3ccccc3OC2C)/S1

STL022921
Synonyms: 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
Smiles: Cc1cccc(c1)n1nnc(c1C)C(=O)Nc1noc(c1)C

STL022923
Synonyms: 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-phenyl-1H-1,2,3-triazole-4-carboxamide
Smiles: Cc1onc(c1)NC(=O)c1nnn(c1C)c1ccccc1

STK953052
Synonyms: 1-(2-fluorophenyl)-5-methyl-N-phenyl-1H-1,2,3-triazole-4-carboxamide
Smiles: Fc1ccccc1n1nnc(c1C)C(=O)Nc1ccccc1

STK867626
Synonyms: 2-imino-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
Smiles: N=C1SC(C(=O)N1c1scc(n1)C)C

STK414982
Synonyms: 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Smiles: CC1CCc2c(C1)scc2C(=O)Nc1noc(c1)C

STL139331
Synonyms: 1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylicacid
Smiles: OC(=O)c1nnn(c1C)c1ccc(c(c1)C)C

STK953178
Synonyms: 5-ethyl-1-(2-methyl-4-nitrophenyl)-1H-tetrazole
Smiles: CCc1nnnn1c1ccc(cc1C)[N+](=O)[O-]

STK953179
Synonyms: 1-(3-isothiocyanatophenyl)-1H-tetrazole
Smiles: S=C=Nc1cccc(c1)n1cnnn1

STK953183
Synonyms: 7-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde
Smiles: O=Cc1cc2cc(C)ccc2n2c1nnn2

STK953184
Synonyms: [5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl](morpholin-4-yl)methanone
Smiles: Cc1ccc(cc1)n1nnc(c1C)C(=O)N1CCOCC1

STK953187
Synonyms: 5-methyl-1-(4-methylphenyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Smiles: CC(NC(=O)c1nnn(c1C)c1ccc(cc1)C)C

STL023288
Synonyms: (2Z)-5-benzyl-2-[(6-methylpyridin-2-yl)imino]-1,3-thiazolidin-4-one
Smiles: Cc1cccc(n1)/N=C/1\SC(C(=O)N1)Cc1ccccc1

STL023302
Synonyms: 1-(2-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylicacid
Smiles: Fc1ccccc1n1nnc(c1C)C(=O)O

STL023313
Synonyms: 1-[5-(3-fluorophenyl)furan-2-yl]ethanone
Smiles: Fc1cccc(c1)c1ccc(o1)C(=O)C

STK953229
Synonyms: N-cyclopentyl-5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
Smiles: Cc1ccc(cc1)n1nnc(c1C)C(=O)NC1CCCC1

STK953293
Synonyms: 3-imino-5-phenyl-3H-pyrrolizine-2-carbonitrile
Smiles: N#CC1=Cc2n(C1=N)c(cc2)c1ccccc1

STK953298
Synonyms: 2-bromo-3-(4-nitrophenyl)propanenitrile
Smiles: BrC(Cc1ccc(cc1)[N+](=O)[O-])C#N

STL023376
Synonyms: N-methyl-N-phenyl-4-(1H-tetrazol-1-yl)benzamide
Smiles: O=C(N(c1ccccc1)C)c1ccc(cc1)n1cnnn1

STL023379
Synonyms: N-(2,6-dimethylphenyl)-4-(1H-tetrazol-1-yl)benzamide
Smiles: O=C(c1ccc(cc1)n1cnnn1)Nc1c(C)cccc1C

STL023381
Synonyms: N-propyl-4-(1H-tetrazol-1-yl)benzamide
Smiles: CCCNC(=O)c1ccc(cc1)n1cnnn1

STK867777
Synonyms: N-methyl-4-(5-methyl-1H-1,2,3-triazol-1-yl)-N-phenylbenzamide
Smiles: O=C(N(c1ccccc1)C)c1ccc(cc1)n1nncc1C

STK867799
Synonyms: 6-cyclopropyl-3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: c1ccc(cc1)c1nnc2n1nc(s2)C1CC1

STK050782
Synonyms: (1R,9aR)-octahydro-2H-quinolizin-1-ylmethanol
Smiles: OC[C@@H]1CCCN2[C@@H]1CCCC2

STK058448
Synonyms: 6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: Nc1ncnc2c1c1CC(C)(C)OCc1s2

STK072279
Synonyms: 3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one
Smiles: O=c1c2c(sc3c2CC(C)(C)OC3)nc2n1CCC2

STK098168
Synonyms: 4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2-thiol
Smiles: Sc1nc(N)c2c(n1)sc1c2CCC1

STK060072
Synonyms: (5Z)-2,2-dimethyl-5-[2-(3-methylphenyl)hydrazinylidene]tetrahydro-4H-pyran-4-one
Smiles: Cc1cccc(c1)N/N=C\1/COC(CC1=O)(C)C

STK031236
Synonyms: 5-(4-methoxybenzyl)-2H-tetrazole
Smiles: COc1ccc(cc1)Cc1n[nH]nn1

STK058102
Synonyms: 3,3-dimethyl-8-(pyrrolidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(=S)[nH]c(c2c1CC(C)(C)OC2)N1CCCC1

STK019800
Synonyms: 3-methyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Smiles: Cn1c(=S)[nH]c2c(c1=O)cccc2

STK087169
Synonyms: 3-(4-methoxyphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Smiles: COc1ccc(cc1)n1c(=S)[nH]c2c(c1=O)cccc2

STK073098
Synonyms: [(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetonitrile
Smiles: N#CCSc1nc2ccccc2c(=O)n1C

STK026137
Synonyms: 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
Smiles: N#Cc1c(N)sc2c1CCN(C2)Cc1ccccc1

STK021792
Synonyms: (5s,7s)-2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: O=C1[C@]2(C)CN3C[C@@]1(C)CN(C2)C3c1ccco1

STK024358
Synonyms: (5s,7s)-2-(4-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: O=C1[C@]2(C)CN3C[C@@]1(C)CN(C2)C3c1ccc(cc1)O

STK048396
Synonyms: (5s,7s)-2-(4-chlorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol
Smiles: OC1[C@]2(C)CN3C[C@@]1(C)CN(C2)C3c1ccc(cc1)Cl

STK025463
Synonyms: (5s,7s)-5,7-dimethyl-2-(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol
Smiles: CC(C1N2C[C@]3(CN1C[C@@](C2)(C3O)C)C)C

STK012169
Synonyms: (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylicacid
Smiles: OC(=O)[C@@H]1CSC(N1)c1ccc(cc1)Cl

STK027304
Synonyms: 2-(3,4-dihydroisoquinolin-1-ylmethyl)-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(CC2=NCCc3c2cccc3)C(=O)c2c1cccc2

STK006127
Synonyms: 1-[(4-chlorophenyl)carbonyl]-2,3-dihydroquinolin-4(1H)-one
Smiles: Clc1ccc(cc1)C(=O)N1CCC(=O)c2c1cccc2

STK062698
Synonyms: N-(1H-benzimidazol-2-ylmethyl)benzamide
Smiles: O=C(c1ccccc1)NCc1nc2c([nH]1)cccc2

STK013970
Synonyms: 4-benzylpiperazine-2,6-dione
Smiles: O=C1CN(CC(=O)N1)Cc1ccccc1

STK008113
Synonyms: 3,3'-piperazine-1,4-diyldipropanenitrile
Smiles: N#CCCN1CCN(CC1)CCC#N

STK081642
Synonyms: 1-chloro-4-[(dichloromethyl)sulfonyl]benzene
Smiles: Clc1ccc(cc1)S(=O)(=O)C(Cl)Cl

STK392408
Synonyms: 1,8-dimethyl-3,6-diazatricyclo[4.3.1.1~3,8~]undecan-9-ol
Smiles: OC1C2(C)CN3CC1(C)CN(C2)CC3

STK026975
Synonyms: 3-(4-bromophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Smiles: Brc1ccc(cc1)c1csc2=NCCn12

STK042345
Synonyms: 1,4-dibenzyl-1H-1,2,4-triazol-4-ium
Smiles: c1ccc(cc1)C[n+]1cnn(c1)Cc1ccccc1

STK741156
Synonyms: methyl{4-[(dimethylamino)methyl]-5-hydroxy-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-yl}acetate
Smiles: COC(=O)Cc1c(CSc2ccccc2)oc2c1c(CN(C)C)c(cc2)O

STK867849
Synonyms: 1-benzofuran-2-yl(5-methoxy-2-methyl-1-benzofuran-3-yl)methanol
Smiles: COc1ccc2c(c1)c(c(o2)C)C(c1cc2c(o1)cccc2)O

STK042774
Synonyms: (5-methoxy-1-benzofuran-2-yl)(5-methoxy-2-methyl-1-benzofuran-3-yl)methanol
Smiles: COc1ccc2c(c1)cc(o2)C(c1c(C)oc2c1cc(OC)cc2)O

STK055572
Synonyms: ethyl6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-hydroxy-1-methyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c2cc(O)c(cc2n(c1CSC1=CC(=O)C(=C(C1=O)Cl)Cl)C)Br

STK017736
Synonyms: ethyl6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OC)c(cc2n(c1CSC1=CC(=O)C(=C(C1=O)Cl)Cl)C)Br

STK281835
Synonyms: ethyl5-hydroxy-1-[(2-hydroxyethoxy)methyl]-2-methyl-1H-indole-3-carboxylate
Smiles: OCCOCn1c2ccc(cc2c(c1C)C(=O)OCC)O

STK033535
Synonyms: (2E)-2-(2,5-dihydroxyphenyl)-3-(methylamino)-N-phenylbut-2-enamide
Smiles: CN/C(=C(\c1cc(O)ccc1O)/C(=O)Nc1ccccc1)/C

STK049040
Synonyms: ethyl5-(acetyloxy)-6-bromo-2-{[(2-hydroxyethyl)(methyl)amino]methyl}-1-methyl-1H-indole-3-carboxylate
Smiles: OCCN(Cc1n(C)c2c(c1C(=O)OCC)cc(c(c2)Br)OC(=O)C)C

STK061122
Synonyms: ethyl6-bromo-2-{[(7-bromo-3,4-dioxo-3,4-dihydronaphthalen-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OC)c(cc2n(c1CSC1=CC(=O)C(=O)c2c1cc(Br)cc2)C)Br

STK066048
Synonyms: N-{[5-(acetyloxy)-6-bromo-3-(ethoxycarbonyl)-1-methyl-1H-indol-2-yl]methyl}-2-hydroxy-N,N-dimethylethanaminium
Smiles: CCOC(=O)c1c2cc(OC(=O)C)c(cc2n(c1C[N+](CCO)(C)C)C)Br

STK098519
Synonyms: ethyl5-methoxy-2-{[(morpholin-4-ylmethyl)sulfanyl]methyl}-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(CSCN2CCOCC2)oc2c1cc(OC)cc2

STK011835
Synonyms: ethyl4-[(diethylamino)methyl]-2-({[(diethylamino)methyl]sulfanyl}methyl)-5-hydroxy-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(CSCN(CC)CC)oc2c1c(CN(CC)CC)c(cc2)O

STK741161
Synonyms: ethyl4-[(dimethylamino)methyl]-2-{[(4-ethylphenyl)sulfanyl]methyl}-5-hydroxy-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(CSc2ccc(cc2)CC)oc2c1c(CN(C)C)c(cc2)O

STK053565
Synonyms: ethyl6-bromo-4-[(dimethylamino)methyl]-2-{[(4-ethoxyphenyl)sulfanyl]methyl}-5-hydroxy-1-methyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(CSc2ccc(cc2)OCC)n(c2c1c(CN(C)C)c(O)c(c2)Br)C

STK027542
Synonyms: ethyl5-hydroxy-2-{[(4-methylphenyl)sulfanyl]methyl}-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(CSc2ccc(cc2)C)oc2c1cc(O)cc2

STK058756
Synonyms: 4,6-dibromo-2-methyl-3-(phenylcarbonyl)-1-benzofuran-5-ylacetate
Smiles: CC(=O)Oc1c(Br)cc2c(c1Br)c(c(o2)C)C(=O)c1ccccc1

STK012787
Synonyms: ethyl5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(O)cc2)c1ccc(cc1)OC

STK062361
Synonyms: ethyl2,6-bis[(dimethylamino)methyl]-5-hydroxy-4-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(CN(C)C)oc2c1c(CSc1ccccc1)c(c(c2)CN(C)C)O

STK091324
Synonyms: 2-(diethylamino)ethyl5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCN(CCOC(=O)c1c(C)oc2c1cc(O)cc2)CC

STK741162
Synonyms: 2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine
Smiles: CN(CCn1c2ccccc2c2c1c1nnnn1CCC2)C

STK032784
Synonyms: 6-chloro-N,9-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
Smiles: CNC1CCCc2c1n(C)c1c2cc(cc1)Cl

STK069630
Synonyms: 11-methyl-1,2,3,3a,4,5,6,7-octahydro[1,4]diazepino[3,2,1-jk]carbazole
Smiles: Cc1ccc2c(c1)c1CCCC3c1n2CCCN3

STK023937
Synonyms: 1,8,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
Smiles: Cc1ccc2c(c1)c(C)c1n2CCNC1C

STK025235
Synonyms: 11-methyl-4-(phenylcarbonyl)-3,4,5,6,7,8-hexahydro-1,5-methano-1,4-benzodiazacycloundecine-9,14(2H)-dione
Smiles: Cc1ccc2c(c1)C(=O)CCCC1C(=O)N2CCN1C(=O)c1ccccc1

STK043785
Synonyms: 6-cyclohexyl-9-[2-(dibenzylamino)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-one
Smiles: O=C1CCCc2c1n(CCN(Cc1ccccc1)Cc1ccccc1)c1c2cc(cc1)C1CCCCC1

STK076081
Synonyms: 9-cyclohexyl-4-methyl-2,4,5,6-tetrahydro-1H-3,4,6a-triazafluoranthene
Smiles: CN1CCn2c3C1=NCCc3c1c2ccc(c1)C1CCCCC1

STK000980
Synonyms: 8-fluoro-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole
Smiles: Fc1ccc2c(c1)c1CCCC3c1n2CCN3

STK741163
Synonyms: 9-cyclohexyl-1,2,3,3a,4,5,6,7-octahydro-3,11b-diazacyclohepta[jk]fluorene
Smiles: C1CCC(CC1)c1ccc2c(c1)c1CCCCC3c1n2CCN3

STK044369
Synonyms: diethyl[(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)methylidene]propanedioate
Smiles: CCOC(=O)C(=CN1CCn2c3C1CCCc3c1c2ccc(c1)C1CCCCC1)C(=O)OCC

STK035982
Synonyms: 2-{[(2,6-dioxocyclohexylidene)methyl]amino}ethanesulfonate
Smiles: O=C1CCCC(=O)C1=CNCCS(=O)(=O)[O-]

STL290800
Synonyms: ethyl2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole-8-carboxylate
Smiles: CCOC(=O)c1ccc2c(c1)c1CCCC3c1n2CCN3

STK040858
Synonyms: 6-amino-4-{2-[(4-chlorobenzyl)oxy]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1OCc1ccc(cc1)Cl)c(C)n[nH]2

STK038215
Synonyms: (8S,8aR)-6-amino-8-[3-methoxy-4-(propan-2-yloxy)phenyl]-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C)c1ccc(c(c1)OC)OC(C)C)(C#N)C#N

STK010268
Synonyms: 2-amino-4-(4-fluorophenyl)-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)F)c(=O)[nH]c1c2cccc1

STK005716
Synonyms: 6-amino-4-(4-butoxy-3-methoxyphenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: CCCCOc1ccc(cc1OC)C1C(=C(N)Oc2c1c(CCC)n[nH]2)C#N

STK035318
Synonyms: 6-amino-4-[3-methoxy-4-(propan-2-yloxy)phenyl]-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: CCCc1n[nH]c2c1C(c1ccc(c(c1)OC)OC(C)C)C(=C(O2)N)C#N

STK094864
Synonyms: {[1-phenyl-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-4-yl]methylidene}propanedinitrile
Smiles: N#CC(=Cc1cn(nc1C12CC3CC(C2)CC(C1)C3)c1ccccc1)C#N

STK065269
Synonyms: 6-amino-4-(4-butoxy-3-methoxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: CCCCOc1ccc(cc1OC)C1C(=C(N)Oc2c1c(C)nn2c1ccccc1)C#N

STK009836
Synonyms: 6-amino-4-(3,5-dimethoxyphenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cc(OC)cc(c1)OC)c(C)n[nH]2

STK060256
Synonyms: 6-amino-4-(3-methoxy-4-propoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: CCCOc1ccc(cc1OC)C1C(=C(N)Oc2c1c(C)[nH]n2)C#N

STK067565
Synonyms: 3-amino-N,N-diethyl-4-phenyl-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: CCN(C(=O)c1sc2c(c1N)c(cc(n2)c1cccs1)c1ccccc1)CC

STK017496
Synonyms: 3-amino-N,N-diethyl-4,6-di(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: CCN(C(=O)c1sc2c(c1N)c(cc(n2)c1cccs1)c1cccs1)CC

STK049392
Synonyms: 3-amino-6-(thiophen-2-yl)-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: CC(C12CC3CC(C2)CC(C1)C3)NC(=O)c1sc2c(c1N)c(cc(n2)c1cccs1)C(F)(F)F

STK062154
Synonyms: 3-amino-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)C12CC3CC(C2)CC(C1)C3)NC(C12CC3CC(C2)CC(C1)C3)C

STK003814
Synonyms: propan-2-yl3-amino-4-(4-fluorophenyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylate
Smiles: CC(OC(=O)c1sc2c(c1N)c(cc(n2)c1cccs1)c1ccc(cc1)F)C

STK062303
Synonyms: 3-amino-N-(4-fluorophenyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: Fc1ccc(cc1)NC(=O)c1sc2c(c1N)c(cc(n2)c1ccccc1)C(F)(F)F

STK079103
Synonyms: 3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
Smiles: Fc1ccc(cc1)NC(=O)c1sc2c(c1N)c(C)cc(n2)C

STK023978
Synonyms: 3-amino-N-(4-fluorophenyl)-4-phenyl-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: Fc1ccc(cc1)NC(=O)c1sc2c(c1N)c(cc(n2)c1cccs1)c1ccccc1

STK014931
Synonyms: 2-{[3-cyano-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]sulfanyl}-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]acetamide
Smiles: N#Cc1c(SCC(=O)NC(C23CC4CC(C3)CC(C2)C4)C)nc2c(c1c1cccs1)CN(CC2)C

STK021772
Synonyms: 3-amino-N,N-diethyl-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: CCN(C(=O)c1sc2c(c1N)ccc(n2)C12CC3CC(C2)CC(C1)C3)CC

STK055004
Synonyms: 2-{[3-cyano-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)pyridin-2-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)Nc1cccc(c1)F)C12CC3CC(C2)CC(C1)C3

STK022502
Synonyms: 3-amino-N-(3-fluorophenyl)-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: Fc1cccc(c1)NC(=O)c1sc2c(c1N)ccc(n2)C12CC3CC(C2)CC(C1)C3

STK027125
Synonyms: 3-amino-N-(3,4-dimethoxyphenyl)-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cc(ccc1OC)NC(=O)c1sc2c(c1N)ccc(n2)C12CC3CC(C2)CC(C1)C3

STK741167
Synonyms: 3-amino-4-(4-chlorophenyl)-N-(4-fluorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
Smiles: Fc1ccc(cc1)NC(=O)c1sc2c(c1N)c(cc(n2)C)c1ccc(cc1)Cl

STK076061
Synonyms: 4-hydroxy-7-methyl-9-(thiophen-2-yl)thieno[2,3-b:4,5-b']dipyridin-2(1H)-one
Smiles: Cc1nc2sc3c(c2c(c1)c1cccs1)[nH]c(=O)cc3O

STK027008
Synonyms: 4-({[3-cyano-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)pyridin-2-yl]sulfanyl}methyl)benzoicacid
Smiles: N#Cc1ccc(nc1SCc1ccc(cc1)C(=O)O)C12CC3CC(C2)CC(C1)C3

STK006363
Synonyms: ethyl6-amino-5-cyano-4-(3,4-diethoxyphenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Smiles: CCOC(=O)CC1=C(C(=O)OCC)C(C(=C(O1)N)C#N)c1ccc(c(c1)OCC)OCC

STK074388
Synonyms: methyl6-amino-5-cyano-4-(3-ethoxy-4-propoxyphenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Smiles: CCCOc1ccc(cc1OCC)C1C(=C(N)OC(=C1C(=O)OC)CC(=O)OC)C#N

STK086034
Synonyms: methyl6-amino-5-cyano-4-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Smiles: CCOc1cc(ccc1OC(C)C)C1C(=C(N)OC(=C1C(=O)OC)CC(=O)OC)C#N

STK044417
Synonyms: methyl6-amino-5-cyano-4-[4-(methoxycarbonyl)phenyl]-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Smiles: COC(=O)CC1=C(C(=O)OC)C(C(=C(O1)N)C#N)c1ccc(cc1)C(=O)OC

STK055324
Synonyms: methyl6-amino-5-cyano-4-(4-fluorophenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1ccc(cc1)F)C#N)N

STK063902
Synonyms: methyl6-amino-4-{2-[(2-chlorobenzyl)oxy]phenyl}-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1ccccc1OCc1ccccc1Cl)C#N)N

STK092085
Synonyms: methyl6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(3-methoxy-4-propoxyphenyl)-4H-pyran-3-carboxylate
Smiles: CCCOc1ccc(cc1OC)C1C(=C(N)OC(=C1C(=O)OC)CC(=O)OC)C#N

STK047986
Synonyms: ethyl6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(3-methoxy-4-propoxyphenyl)-4H-pyran-3-carboxylate
Smiles: CCCOc1ccc(cc1OC)C1C(=C(N)OC(=C1C(=O)OCC)CC(=O)OCC)C#N

STK071527
Synonyms: methyl6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(pyridin-4-yl)-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1ccncc1)C#N)N

STK052267
Synonyms: methyl(4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(CC(=O)OC)OC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C#N)N

STK065930
Synonyms: methyl6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-nitrophenyl)-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1ccc(cc1)[N+](=O)[O-])C#N)N

STK043588
Synonyms: methyl6-amino-4-(4-bromophenyl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1ccc(cc1)Br)C#N)N

STK026275
Synonyms: methyl6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate
Smiles: COC(=O)CC1=C(C(=O)OC)C(C(=C(O1)N)C#N)c1ccc(cc1)OC

STK022598
Synonyms: methyl6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(pyridin-3-yl)-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1cccnc1)C#N)N

STK073260
Synonyms: ethyl6-amino-4-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-5-cyano-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CC(=O)OCC)OC(=C(C1c1ccc(c(c1)OC)OCC(=O)N)C#N)N

STK095554
Synonyms: ethyl6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-[4-(methoxycarbonyl)phenyl]-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CC(=O)OCC)OC(=C(C1c1ccc(cc1)C(=O)OC)C#N)N

STK081949
Synonyms: methyl6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Smiles: COC(=O)CC1=C(C(=O)OC)C(C(=C(O1)N)C#N)c1ccc(c(c1)OC)OC

STK007698
Synonyms: methyl6-amino-4-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1ccc(c(c1)OC)OCC(=O)N)C#N)N

STK081746
Synonyms: methyl6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1ccc(c(c1)Cn1nc(c(c1C)[N+](=O)[O-])C)OC)C#N)N

STK074296
Synonyms: ethyl6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(4-hydroxy-3-methoxyphenyl)-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CC(=O)OCC)OC(=C(C1c1ccc(c(c1)OC)O)C#N)N

STK091826
Synonyms: ethyl6-amino-4-(3-chlorophenyl)-5-cyano-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CC(=O)OCC)OC(=C(C1c1cccc(c1)Cl)C#N)N

STK089402
Synonyms: methyl6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Smiles: COC(=O)CC1=C(C(=O)OC)C(C(=C(O1)N)C#N)c1ccc(c(c1)OC)O

STK062678
Synonyms: methyl6-amino-4-(3-chlorophenyl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1cccc(c1)Cl)C#N)N

STK063025
Synonyms: methyl4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1C(=C(N)Oc2c1c(C)[nH]n2)C#N

STK004785
Synonyms: ethyl6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CC(=O)OCC)OC(=C(C1c1ccc(c(c1)OC)OC)C#N)N

STK007860
Synonyms: 2-amino-4-(3-ethoxy-4-propoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
Smiles: CCCOc1ccc(cc1OCC)C1C(=C(N)Oc2c1c(=O)oc1c2cccc1)C#N

STK095277
Synonyms: (8R,8aR)-6-amino-8-(2-fluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCNC2)c1ccccc1F)(C#N)C#N

STK867850
Synonyms: 1'-acetyl-2-amino-5-oxo-5,6,7,8-tetrahydrospiro[chromene-4,4'-piperidine]-3-carbonitrile
Smiles: N#CC1=C(N)OC2=C(C31CCN(CC3)C(=O)C)C(=O)CCC2

STK017909
Synonyms: 1,5-dicyano-4-oxo-9-propyl-3-oxa-9-azoniaspiro[5.5]undec-1-ene-2-thiolate
Smiles: CCC[NH+]1CCC2(CC1)C(C#N)C(=O)OC(=C2C#N)[S-]

STK000072
Synonyms: ethyl(1R,2R,3R,8aS)-3-acetyl-6-carbamoyl-1-cyano-2-(pyridin-3-yl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Smiles: CCOC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1cccnc1)C(=O)C)C(=O)N

STK034794
Synonyms: ethyl(1R,2R,3R,8aS)-3,6-dicarbamoyl-2-(3-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]1c1cccc(c1)Cl)C(=O)N)C(=O)N

STK055992
Synonyms: 2-amino-4-(3-methoxy-4-propoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
Smiles: CCCOc1ccc(cc1OC)C1C(=C(N)Oc2c1c(=O)oc1c2cccc1)C#N

STK057013
Synonyms: 1-acetyl-6'-amino-3'-propyl-2'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Smiles: CCCc1[nH]nc2c1C1(CCN(CC1)C(=O)C)C(=C(O2)N)C#N

STK069293
Synonyms: 2-[4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c]chromen-4-yl)-2-methoxyphenoxy]-N,N-diethylacetamide
Smiles: CCN(C(=O)COc1ccc(cc1OC)C1C(=C(N)Oc2c1c(=O)oc1c2cccc1)C#N)CC

STK024892
Synonyms: tert-butyl2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-1'H-spiro[chromene-4,4'-piperidine]-1'-carboxylate
Smiles: N#CC1=C(N)OC2=C(C31CCN(CC3)C(=O)OC(C)(C)C)C(=O)CCC2

STK060246
Synonyms: ethyl4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate
Smiles: CCOC(=O)N1CCC(=C(C(=O)OCC)C#N)CC1

STK057527
Synonyms: ethyl[6-amino-5-cyano-4-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
Smiles: CCOC(=O)Cc1[nH]nc2c1C(c1ccc(cc1)OC)C(=C(O2)N)C#N

STK098614
Synonyms: 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2nccs2)nc(cc1C(F)(F)F)C

STK041588
Synonyms: N-(4-chlorophenyl)-2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)Cl)nc(cc1C(F)(F)F)C

STK057583
Synonyms: N-(4-chlorophenyl)-2-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)Cl)nc(cc1C(F)(F)F)c1ccccc1

STK065028
Synonyms: 2-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-N-(pyridin-2-yl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccccn2)nc(nc1SC)N

STK037153
Synonyms: propan-2-yl4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate
Smiles: N#Cc1c(SCC(=O)CC(=O)OC(C)C)nc2c(c1c1cccnc1)CCCC2

STK028915
Synonyms: 2-amino-4-(4-butoxy-3-methoxyphenyl)-6-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]sulfanyl}pyridine-3,5-dicarbonitrile
Smiles: CCCCOc1ccc(cc1OC)c1c(C#N)c(N)nc(c1C#N)SCC(=O)C12CC3CC(C2)CC(C1)C3

STK068546
Synonyms: 2-amino-4-[3-methoxy-4-(propan-2-yloxy)phenyl]-6-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]sulfanyl}pyridine-3,5-dicarbonitrile
Smiles: N#Cc1c(SCC(=O)C23CC4CC(C3)CC(C2)C4)nc(c(c1c1ccc(c(c1)OC)OC(C)C)C#N)N

STK066134
Synonyms: 2-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(c(c2)OC)OC)nc2c(c1c1cccnc1)CCCC2

STK051123
Synonyms: 2-{[6-amino-4-(4-chlorophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)F)nc(c(c1c1ccc(cc1)Cl)C#N)N

STK031795
Synonyms: ethyl4-{[6-amino-4-(4-chlorophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}-3-oxobutanoate
Smiles: CCOC(=O)CC(=O)CSc1nc(N)c(c(c1C#N)c1ccc(cc1)Cl)C#N

STK083800
Synonyms: 2-amino-4-(4-chlorophenyl)-6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)F)nc(c(c1c1ccc(cc1)Cl)C#N)N

STK048704
Synonyms: 1-{3-amino-4-(4-chlorophenyl)-2-[(4-fluorophenyl)carbonyl]-6-methyl-4,7-dihydrothieno[2,3-b]pyridin-5-yl}ethanone
Smiles: Fc1ccc(cc1)C(=O)c1sc2c(c1N)C(c1ccc(cc1)Cl)C(=C(N2)C)C(=O)C

STK049809
Synonyms: 6-amino-4-(3-chlorophenyl)-5-cyano-2-sulfanyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(N)NC(=C(C1c1cccc(c1)Cl)C(=O)N)S

STK100217
Synonyms: 6-amino-8-(2-ethoxyphenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCOc1ccccc1C1C2CN(CC)CC=C2C(=C(C1(C#N)C#N)N)C#N

STK042441
Synonyms: (8E)-2-amino-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1c1ccc(c(c1)OC)OC)CN(C/C/2=C\c1ccc(c(c1)OC)OC)C

STK024194
Synonyms: (8E)-2-amino-8-(2-chlorobenzylidene)-4-(2-chlorophenyl)-6-propyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Smiles: CCCN1C/C(=C\c2ccccc2Cl)/C2=C(C1)C(C(=C(O2)N)C#N)c1ccccc1Cl

STK078511
Synonyms: prop-2-en-1-yl5-cyano-2-methyl-6-sulfanyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cscc1)C#N)S

STK029659
Synonyms: tert-butyl(8R,8aR)-6-amino-8-(5-bromo-2-fluorophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OC(C)(C)C)c1cc(Br)ccc1F)(C#N)C#N

STK056845
Synonyms: tert-butyl(8S)-6-amino-8-(4-butoxy-3-methoxyphenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCCCOc1ccc(cc1OC)[C@@H]1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OC(C)(C)C

STK056509
Synonyms: 5-cyano-2-methyl-6-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-N-phenyl-1,4-dihydro-4,4'-bipyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)C(F)(F)F)NC(=C(C1c1ccncc1)C(=O)Nc1ccccc1)C

STK057123
Synonyms: 5-cyano-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-phenyl-1,4-dihydro-4,4'-bipyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=C(C1c1ccncc1)C(=O)Nc1ccccc1)C

STK050201
Synonyms: 2-amino-5-(4-butoxy-3-methoxyphenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Smiles: CCCCOc1ccc(cc1OC)C1CCC=C2C1CC(C#N)(C#N)C(=C2C#N)N

STK091152
Synonyms: 7-[(4-chlorobenzyl)sulfanyl]-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile
Smiles: N#CC1=C(SCc2ccc(cc2)Cl)NC(=O)C(C21CCCC2)C#N

STK062506
Synonyms: 7-amino-5-(3-chlorophenyl)-4-hydroxy-2-oxo-3,5-dihydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccc(c1)Cl)c(O)[nH]c(=O)n2

STK031905
Synonyms: 2-amino-4-(3-fluorophenyl)-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccc(c1)F)c(=O)[nH]c1c2cccc1

STK091305
Synonyms: 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1C(F)(F)F)c(=O)[nH]c1c2cccc1

STK056366
Synonyms: 1-[3-amino-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-2-yl]-2,2-dimethylpropan-1-one
Smiles: CN1CCc2c(C1)c(c1cccs1)c1c(n2)sc(c1N)C(=O)C(C)(C)C

STK003903
Synonyms: 6-amino-3-ethyl-4-(pyridin-4-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccncc1)c(CC)[nH]n2

STL357302
Synonyms: 6-amino-4-(5-bromothiophen-2-yl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(s1)Br)c(CC)[nH]n2

STK028039
Synonyms: 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc(N)cc(n1)N

STK001135
Synonyms: 2,11-diamino-4,9-bis(4-fluorophenyl)-4,9-dihydrobenzo[f]pyrano[3,2-h]chromene-3,10-dicarbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)F)c1ccccc1c1c2OC(=C(C1c1ccc(cc1)F)C#N)N

STK014176
Synonyms: 2,11-diamino-4,9-di(thiophen-3-yl)-4,9-dihydrobenzo[f]pyrano[3,2-h]chromene-3,10-dicarbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cscc1)c1ccccc1c1c2OC(=C(C1c1cscc1)C#N)N

STK057809
Synonyms: 2-amino-4-{2-[(2-chlorobenzyl)oxy]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1OCc1ccccc1Cl)c(=O)oc(c2)C

STK053781
Synonyms: (8S,8aR)-6-amino-8-{3-methoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C)c1ccc(c(c1)OC)OCCN1CCOCC1)(C#N)C#N

STK032696
Synonyms: 6-amino-4-(5-bromothiophen-2-yl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: CCCc1n[nH]c2c1C(c1ccc(s1)Br)C(=C(O2)N)C#N

STK018385
Synonyms: [3-amino-6-(thiophen-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](5-chlorothiophen-2-yl)methanone
Smiles: Clc1ccc(s1)C(=O)c1sc2c(c1N)c(cc(n2)c1cccs1)C(F)(F)F

STK051495
Synonyms: [3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](5-chlorothiophen-2-yl)methanone
Smiles: Cc1nc2sc(c(c2c(c1)C(F)(F)F)N)C(=O)c1ccc(s1)Cl

STK095460
Synonyms: (8R,8aR)-6-amino-8-(2,4-diethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCCN1CC=C2[C@H](C1)[C@@H](c1ccc(cc1OCC)OCC)C(C(=C2C#N)N)(C#N)C#N

STK081083
Synonyms: 4-amino-2-[(3-chlorophenyl)amino]-5-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)thiophene-3-carbonitrile
Smiles: N#Cc1c(Nc2cccc(c2)Cl)sc(c1N)C(=O)C12CC3CC(C2)CC(C1)C3

STK029623
Synonyms: {4-amino-2-[(3-chlorophenyl)amino]-1,3-thiazol-5-yl}(4-fluorophenyl)methanone
Smiles: Fc1ccc(cc1)C(=O)c1sc(nc1N)Nc1cccc(c1)Cl

STK038040
Synonyms: 4-amino-2-[(3-chlorophenyl)amino]-5-[(4-fluorophenyl)carbonyl]thiophene-3-carbonitrile
Smiles: N#Cc1c(Nc2cccc(c2)Cl)sc(c1N)C(=O)c1ccc(cc1)F

STK008589
Synonyms: 2-amino-4-(3,4-diethoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Smiles: CCOc1cc(ccc1OCC)C1C(=C(N)Oc2c1c(=O)oc(c2)C)C#N

STK029850
Synonyms: (8S,8aR)-6-amino-8-(3,4-diethoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCOc1cc(ccc1OCC)[C@@H]1[C@H]2CN(C)CC=C2C(=C(C1(C#N)C#N)N)C#N

STK048675
Synonyms: (8S,8aR)-6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCCOc1ccc(cc1OCC)[C@@H]1[C@H]2CN(C)CC=C2C(=C(C1(C#N)C#N)N)C#N

STK075390
Synonyms: ethyl2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1'H-spiro[chromene-4,4'-piperidine]-1'-carboxylate
Smiles: CCOC(=O)N1CCC2(CC1)C(=C(N)OC1=C2C(=O)CC(C1)(C)C)C#N

STK085057
Synonyms: tert-butyl2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1'H-spiro[chromene-4,4'-piperidine]-1'-carboxylate
Smiles: N#CC1=C(N)OC2=C(C31CCN(CC3)C(=O)OC(C)(C)C)C(=O)CC(C2)(C)C

STK867856
Synonyms: ethyl2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-1'H-spiro[chromene-4,4'-piperidine]-1'-carboxylate
Smiles: CCOC(=O)N1CCC2(CC1)C(=C(N)OC1=C2C(=O)CCC1)C#N

STK025836
Synonyms: 1'-acetyl-2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrospiro[chromene-4,4'-piperidine]-3-carbonitrile
Smiles: N#CC1=C(N)OC2=C(C31CCN(CC3)C(=O)C)C(=O)CC(C2)(C)C

STK040694
Synonyms: 2,6-diamino-4-(3-hydroxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Smiles: N#CC1=C(N)SC(=C(C1c1cccc(c1)O)C#N)N

STK037484
Synonyms: (8S,8aR)-6-amino-8-(3-hydroxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C)c1cccc(c1)O)(C#N)C#N

STK040182
Synonyms: 9-acetyl-4-oxo-2-sulfanyl-3,9-diazaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Smiles: N#CC1C(=O)NC(=C(C21CCN(CC2)C(=O)C)C#N)S

STK008011
Synonyms: (1S,2S,3aR)-2-[4-(propan-2-yloxy)phenyl]-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@H](c2ccc(cc2)OC(C)C)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3

STK093751
Synonyms: (6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one
Smiles: O=C1[C@H]2OC[C@H](O2)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccccc1)cccc3

STK045397
Synonyms: 2,11-diamino-4,9-bis(4-chlorophenyl)-4,9-dihydrobenzo[f]pyrano[3,2-h]chromene-3,10-dicarbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)Cl)c1ccccc1c1c2OC(=C(C1c1ccc(cc1)Cl)C#N)N

STK097656
Synonyms: 3-bromo-4-hydroxy-7-methyl-9-(trifluoromethyl)thieno[2,3-b:4,5-b']dipyridin-2(1H)-one
Smiles: Cc1nc2sc3c(c2c(c1)C(F)(F)F)[nH]c(=O)c(c3O)Br

STK867857
Synonyms: 4-hydroxy-7-(4-methoxyphenyl)thieno[2,3-b:4,5-b']dipyridin-2(1H)-one
Smiles: COc1ccc(cc1)c1ccc2c(n1)sc1c2[nH]c(=O)cc1O

STK053024
Synonyms: (8S,8aR)-6-amino-8-(4-methoxynaphthalen-1-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)c1ccc(c2c1cccc2)OC)(C#N)C#N

STK004814
Synonyms: tert-butyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccc(c2c1cccc2)OC)(C#N)C#N

STK095401
Synonyms: (8S,8aR)-2-acetyl-6-amino-8-(4-methoxynaphthalen-1-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(=O)C)c1ccc(c2c1cccc2)OC)(C#N)C#N

STK038144
Synonyms: 2,6-diamino-4-(4-methoxynaphthalen-1-yl)-4H-thiopyran-3,5-dicarbonitrile
Smiles: N#CC1=C(N)SC(=C(C1c1ccc(c2c1cccc2)OC)C#N)N

STK039205
Synonyms: 6-amino-1-methyl-3-propyl-4-(pyridin-3-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: CCCc1nn(c2c1C(c1cccnc1)C(=C(O2)N)C#N)C

STK096433
Synonyms: 2-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1c1ccc3c(c1Cl)OCO3)C(=O)CC(C2)(C)C

STK005597
Synonyms: (8R,8aR)-6-amino-8-(6-chloro-1,3-benzodioxol-5-yl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCN1CC=C2[C@H](C1)[C@@H](c1cc3OCOc3cc1Cl)C(C(=C2C#N)N)(C#N)C#N

STK013574
Synonyms: 6-amino-3-tert-butyl-4-(3,4-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)OC)OC)c([nH]n2)C(C)(C)C

STK051770
Synonyms: 6-amino-3-propyl-4-(2,3,4-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: CCCc1[nH]nc2c1C(C(=C(O2)N)C#N)c1ccc(c(c1OC)OC)OC

STK001598
Synonyms: methyl4-[(4S,4aR)-2-amino-1,3,3-tricyano-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulen-4-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)[C@@H]1[C@H]2C3CCC(N3C)C=C2C(=C(C1(C#N)C#N)N)C#N

STK053784
Synonyms: tert-butyl(8S,8aR)-6-amino-8-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccc(c(c1)OC)OCC(=O)N)(C#N)C#N

STK022880
Synonyms: 2-amino-4-(3,5-dimethoxyphenyl)-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cc(OC)cc(c1)OC)c(=O)[nH]c1c2cccc1

STK007952
Synonyms: 2-amino-6-[(3-methoxybenzyl)sulfanyl]-4-(thiophen-2-yl)pyridine-3,5-dicarbonitrile
Smiles: N#Cc1c(SCc2cccc(c2)OC)nc(c(c1c1cccs1)C#N)N

STK089163
Synonyms: 2-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(1-phenylethyl)acetamide
Smiles: N#Cc1c(SCC(=O)NC(c2ccccc2)C)nc(c(c1c1cccs1)C#N)N

STK006419
Synonyms: 2-amino-4-(3-hydroxyphenyl)-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccc(c1)O)c(=O)[nH]c1c2cccc1

STK021039
Synonyms: 2-{[6-tert-butyl-3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)F)nc2c(c1c1cccs1)CC(CC2)C(C)(C)C

STK037028
Synonyms: benzyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(2,3,4-trimethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(c(c1OC)OC)OC)(C#N)C#N

STK062433
Synonyms: (8S,8aR)-6-amino-8-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C)c1cc(OC)c2c(c1)OCO2)(C#N)C#N

STK098699
Synonyms: methyl4-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1C(=C(N)Oc2c1c(=O)oc(c2)C)C#N

STK004728
Synonyms: 2-{4-[6-amino-1-(3-chlorophenyl)-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenoxy}acetamide
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)OC)OCC(=O)N)c(C)nn2c1cccc(c1)Cl

STK051741
Synonyms: methyl4-[6-amino-1-(3-chlorophenyl)-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1C(=C(N)Oc2c1c(C)nn2c1cccc(c1)Cl)C#N

STK069741
Synonyms: benzyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxy-3-propoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCCOc1cc(ccc1OC)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCc1ccccc1

STK029796
Synonyms: benzyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(4-fluorophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)F)(C#N)C#N

STK003690
Synonyms: 2-[(2-cyanoethyl)sulfanyl]-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
Smiles: N#CCCSc1nc(cc(c1C#N)c1ccc(cc1)OC)c1ccccc1

STK021799
Synonyms: 2-[(2-cyanoethyl)sulfanyl]-4,6-di(thiophen-2-yl)pyridine-3-carbonitrile
Smiles: N#CCCSc1nc(cc(c1C#N)c1cccs1)c1cccs1

STK076130
Synonyms: 2-amino-5-oxo-4-(quinolin-4-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccnc3c1cccc3)c(=O)oc1c2cccc1

STK016548
Synonyms: 2-amino-7-methyl-5-oxo-4-(quinolin-4-yl)-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccnc3c1cccc3)c(=O)oc(c2)C

STK032683
Synonyms: 6-amino-4-(2,6-difluorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1c(F)cccc1F)c(C)nn2c1ccccc1

STK100079
Synonyms: methyl4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)benzoate
Smiles: N#CC1=C(N)OC2=C(C1c1ccc(cc1)C(=O)OC)C(=O)CC(C2)(C)C

STK741174
Synonyms: 6-amino-4-[4-(dimethylamino)phenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: CCCc1[nH]nc2c1C(c1ccc(cc1)N(C)C)C(=C(O2)N)C#N

STK098502
Synonyms: methyl4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1C(=C(N)Oc2c1ccc(c2)O)C#N

STK077484
Synonyms: methyl4-(2,7-diamino-3-cyano-4H-chromen-4-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1C(=C(N)Oc2c1ccc(c2)N)C#N

STK008993
Synonyms: 2-amino-4-(2-fluoro-5-methoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cc(OC)ccc1F)c(=O)oc(c2)C

STK017012
Synonyms: 6-amino-3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cc(OC)ccc1F)c([nH]n2)C(C)(C)C

STK072723
Synonyms: (8R,8aR)-6-amino-8-(2-fluoro-5-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C)c1cc(OC)ccc1F)(C#N)C#N

STK062785
Synonyms: (8R,8aR)-2-acetyl-6-amino-8-(2-fluoro-5-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)C)c1cc(OC)ccc1F)(C#N)C#N

STK057701
Synonyms: (8R,8aR)-6-amino-8-(furan-3-yl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C)c1cocc1)(C#N)C#N

STK055779
Synonyms: (8R,8aR)-2-acetyl-6-amino-8-(furan-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(=O)C)c1ccoc1)(C#N)C#N

STK075883
Synonyms: ethyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(furan-3-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccoc1)C(C(=C2C#N)N)(C#N)C#N

STK027829
Synonyms: 2,6-diamino-4-(furan-3-yl)-4H-thiopyran-3,5-dicarbonitrile
Smiles: N#CC1=C(N)SC(=C(C1c1cocc1)C#N)N

STK072827
Synonyms: benzyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(2-methoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccccc1OC)(C#N)C#N

STK023440
Synonyms: benzyl(8S,8aR)-6-amino-8-(3-chlorophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1cccc(c1)Cl)(C#N)C#N

STK027993
Synonyms: benzyl(8S,8aR)-6-amino-8-(3-bromophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1cccc(c1)Br)(C#N)C#N

STK053346
Synonyms: methyl6-amino-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-fluorophenyl)-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(CSc2nc(C)cc(c2C#N)C)OC(=C(C1c1ccccc1F)C#N)N

STK037443
Synonyms: methyl6-amino-4-(4-chlorophenyl)-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(CSc2nc(C)cc(c2C#N)C)OC(=C(C1c1ccc(cc1)Cl)C#N)N

STK012685
Synonyms: methyl6-amino-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(pyridin-3-yl)-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(CSc2nc(C)cc(c2C#N)C)OC(=C(C1c1cccnc1)C#N)N

STK087317
Synonyms: methyl6-amino-4-(2-chlorophenyl)-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(CSc2nc(C)cc(c2C#N)C)OC(=C(C1c1ccccc1Cl)C#N)N

STK032375
Synonyms: 4-(4-fluorophenyl)-2-[(3-methoxybenzyl)sulfanyl]-6-(thiophen-2-yl)pyridine-3-carbonitrile
Smiles: COc1cccc(c1)CSc1nc(cc(c1C#N)c1ccc(cc1)F)c1cccs1

STK071730
Synonyms: 5-cyano-6-[(3-methoxybenzyl)sulfanyl]-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCc2cccc(c2)OC)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1)C

STK002795
Synonyms: 1-acetyl-6'-amino-3'-(trifluoromethyl)-2'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C31CCN(CC3)C(=O)C)c([nH]n2)C(F)(F)F

STK084222
Synonyms: 6-amino-4-(furan-3-yl)-3-methyl-1-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cocc1)c(C)nn2c1ccc(cc1)C

STK025823
Synonyms: benzyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(3,4-dimethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(c(c1)OC)OC)(C#N)C#N

STK090659
Synonyms: benzyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(3,4,5-trimethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1cc(OC)c(c(c1)OC)OC)(C#N)C#N

STK080123
Synonyms: benzyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(thiophen-2-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1cccs1)(C#N)C#N

STK002250
Synonyms: benzyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(pyridin-4-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccncc1)(C#N)C#N

STK079419
Synonyms: benzyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(2-fluorophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccccc1F)(C#N)C#N

STK030637
Synonyms: benzyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: COc1ccc(cc1)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCc1ccccc1

STK032351
Synonyms: benzyl(8S,8aR)-6-amino-5,7,7-tricyano-8-[4-(propan-2-yloxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)OC(C)C)(C#N)C#N

STK024702
Synonyms: benzyl(8S,8aR)-6-amino-5,7,7-tricyano-8-[3-methoxy-4-(propan-2-yloxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(c(c1)OC)OC(C)C)(C#N)C#N

STK096635
Synonyms: dibenzyl6-amino-5,7,7-tricyano-1,3,7,8a-tetrahydro-1'H,2H-spiro[isoquinoline-8,4'-piperidine]-1',2-dicarboxylate
Smiles: N#CC1=C(N)C(C2(C3C1=CCN(C3)C(=O)OCc1ccccc1)CCN(CC2)C(=O)OCc1ccccc1)(C#N)C#N

STK053494
Synonyms: ethyl3-acetyl-6-amino-5-cyano-4-(pyridin-3-yl)-4H-pyran-2-carboxylate
Smiles: CCOC(=O)C1=C(C(=O)C)C(C(=C(O1)N)C#N)c1cccnc1

STK038944
Synonyms: benzyl(8S,8aR)-6-amino-8-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(c(c1)OC)OCC(=O)N)(C#N)C#N

STK045361
Synonyms: benzyl(8S,8aR)-6-amino-5,7,7-tricyano-8-[4-(methoxycarbonyl)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)C(=O)OC)(C#N)C#N

STK007378
Synonyms: benzyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4-dimethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: COc1ccc(c(c1)OC)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCc1ccccc1

STK041667
Synonyms: benzyl(8R,8aR)-6-amino-8-(2-chlorophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccccc1Cl)(C#N)C#N

STK024772
Synonyms: benzyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(4-nitrophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)[N+](=O)[O-])(C#N)C#N

STK035613
Synonyms: benzyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(3-nitrophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1cccc(c1)[N+](=O)[O-])(C#N)C#N

STK097459
Synonyms: benzyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(2,5-dimethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: COc1ccc(c(c1)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCc1ccccc1)OC

STK058577
Synonyms: benzyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(2,3-dimethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1cccc(c1OC)OC)(C#N)C#N

STK020830
Synonyms: 3-(aziridin-1-yl)-2-phenyl-1H-inden-1-one
Smiles: O=C1C(=C(c2c1cccc2)N1CC1)c1ccccc1

STK063893
Synonyms: 3'-chloro-2'-phenylspiro[1,3-dithiolane-2,1'-indene]
Smiles: ClC1=C(c2ccccc2)C2(c3c1cccc3)SCCS2

STK001398
Synonyms: 1-[4,5-bis(butylcarbamoyl)-1H-imidazol-1-yl]-3-phenoxypropan-2-yl4-methoxybenzoate
Smiles: CCCCNC(=O)c1n(cnc1C(=O)NCCCC)CC(OC(=O)c1ccc(cc1)OC)COc1ccccc1

STK392409
Synonyms: N-benzyl-N-[3,5-bis(benzyloxy)phenyl]acetamide
Smiles: CC(=O)N(c1cc(OCc2ccccc2)cc(c1)OCc1ccccc1)Cc1ccccc1

STK049124
Synonyms: 3-[2-(tritylamino)ethyl]-1H-indol-5-ol
Smiles: Oc1ccc2c(c1)c(CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)c[nH]2

STK093375
Synonyms: 2-[(4-propoxyphenyl)carbamoyl]phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Smiles: CCCOc1ccc(cc1)NC(=O)c1ccccc1OC(=O)C12CC3CC(C2)CC(C1)C3

STK392410
Synonyms: benzyl1-acetyl-beta-(benzylsulfanyl)-N-hydroxytryptophanate
Smiles: ONC(C(c1cn(c2c1cccc2)C(=O)C)SCc1ccccc1)C(=O)OCc1ccccc1

STK392411
Synonyms: dibenzyl4-(1H-indol-3-yl)-4,5-dihydro-1,2-oxazole-3,5-dicarboxylate2-oxide
Smiles: O=C(C1O[N+](=C(C1c1c[nH]c2c1cccc2)C(=O)OCc1ccccc1)[O-])OCc1ccccc1

STK088930
Synonyms: N,N'-ethane-1,2-diylbis[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamide]
Smiles: O=C(CCCN1C(=O)c2c(C1=O)cccc2)NCCNC(=O)CCCN1C(=O)c2c(C1=O)cccc2

STK043329
Synonyms: 3-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1H-indol-5-yl4-methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1ccc2c(c1)c(CCN1C(=O)c3c(C1=O)cccc3)c[nH]2

STK074485
Synonyms: 2-[(4-methylphenyl)carbamoyl]phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Smiles: Cc1ccc(cc1)NC(=O)c1ccccc1OC(=O)C12CC3CC(C2)CC(C1)C3

STK010556
Synonyms: N,N-dibenzyl-2-(5-methoxy-1H-indol-3-yl)ethanamine
Smiles: COc1ccc2c(c1)c(CCN(Cc1ccccc1)Cc1ccccc1)c[nH]2

STK026267
Synonyms: 3,3'-[(6-chloro-1,3,5-triazine-2,4-diyl)diethane-2,1-diyl]bis(5-methoxy-1H-indole)
Smiles: COc1ccc2c(c1)c(CCc1nc(CCc3c[nH]c4c3cc(OC)cc4)nc(n1)Cl)c[nH]2

STK070298
Synonyms: 2-{2-[5-(benzyloxy)-1H-indol-3-yl]ethyl}-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(CCc2c[nH]c3c2cc(OCc2ccccc2)cc3)C(=O)c2c1cccc2

STK392412
Synonyms: 3-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1H-indol-5-ylbenzoate
Smiles: O=C(c1ccccc1)Oc1ccc2c(c1)c(CCN1C(=O)c3c(C1=O)cccc3)c[nH]2

STK002450
Synonyms: 3-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1H-indol-5-yl2-chlorobenzoate
Smiles: O=C(c1ccccc1Cl)Oc1ccc2c(c1)c(CCN1C(=O)c3c(C1=O)cccc3)c[nH]2

STK018437
Synonyms: N-[4-(benzyloxy)phenyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Smiles: O=C(C12CC3CC(C2)CC(C1)C3)Nc1ccc(cc1)OCc1ccccc1

STK078193
Synonyms: 2-(phenylcarbamoyl)phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Smiles: O=C(c1ccccc1OC(=O)C12CC3CC(C2)CC(C1)C3)Nc1ccccc1

STK069039
Synonyms: 1,1'-{trisulfane-1,3-diylbis[(2-nitroethane-1,1-diyl)-1H-indole-3,1-diyl]}diethanone
Smiles: [O-][N+](=O)CC(c1cn(c2c1cccc2)C(=O)C)SSSC(c1cn(c2c1cccc2)C(=O)C)C[N+](=O)[O-]

STK037795
Synonyms: 1,1'-{disulfanediylbis[(2-nitroethane-1,1-diyl)-1H-indole-3,1-diyl]}diethanone
Smiles: [O-][N+](=O)CC(c1cn(c2c1cccc2)C(=O)C)SSC(c1cn(c2c1cccc2)C(=O)C)C[N+](=O)[O-]

STK055460
Synonyms: ethyl(2Z)-2-[2-(2,5-dimethoxyphenyl)hydrazinylidene]-5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoate
Smiles: CCOC(=O)/C(=N\Nc1cc(OC)ccc1OC)/CCCN1C(=O)c2c(C1=O)cccc2

STK037059
Synonyms: 5-methylbenzene-1,3-diylbis(4-methoxybenzoate)
Smiles: COc1ccc(cc1)C(=O)Oc1cc(cc(c1)C)OC(=O)c1ccc(cc1)OC

STK074811
Synonyms: 2-{[4-(benzyloxy)phenyl]amino}naphthalene-1,4-dione
Smiles: O=C1C(=CC(=O)c2c1cccc2)Nc1ccc(cc1)OCc1ccccc1

STK044745
Synonyms: 3-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1H-indol-5-ylfuran-2-carboxylate
Smiles: O=C(c1ccco1)Oc1ccc2c(c1)c(CCN1C(=O)c3c(C1=O)cccc3)c[nH]2

STK046537
Synonyms: N-tert-butyl-N-(4-fluorobenzyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Smiles: O=C(C12CC3CC(C2)CC(C1)C3)N(C(C)(C)C)Cc1ccc(cc1)F

STK051527
Synonyms: ethyl3-({tert-butyl[(4-methylphenyl)sulfonyl]amino}methyl)benzoate
Smiles: CCOC(=O)c1cccc(c1)CN(S(=O)(=O)c1ccc(cc1)C)C(C)(C)C

STK029133
Synonyms: 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4-propoxyphenyl)butanamide
Smiles: CCCOc1ccc(cc1)NC(=O)CCCN1C(=O)c2c(C1=O)cccc2

STK392413
Synonyms: ethyl4-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CCCN1C(=O)c2c(C1=O)cccc2

STK055149
Synonyms: 1-{2-[5-(benzyloxy)-1H-indol-3-yl]ethyl}pyrrolidine-2,5-dione
Smiles: O=C1CCC(=O)N1CCc1c[nH]c2c1cc(OCc1ccccc1)cc2

STK076787
Synonyms: N-[4-(benzyloxy)phenyl]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1ccc(cc1)OCc1ccccc1

STK011672
Synonyms: pyridine-2,6-diyldimethanediylbis(4-nitrobenzoate)
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])OCc1cccc(n1)COC(=O)c1ccc(cc1)[N+](=O)[O-]

STK092295
Synonyms: 2-[4-(benzyloxy)phenyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(c2ccc(cc2)OCc2ccccc2)C(=O)c2c1cccc2

STK001314
Synonyms: benzene-1,3,5-triyltrifuran-2-carboxylate
Smiles: O=C(c1ccco1)Oc1cc(cc(c1)OC(=O)c1ccco1)OC(=O)c1ccco1

STK095405
Synonyms: N-(4-propoxyphenyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Smiles: CCCOc1ccc(cc1)NC(=O)C12CC3CC(C2)CC(C1)C3

STK044045
Synonyms: N-[4-(propan-2-yloxy)phenyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Smiles: CC(Oc1ccc(cc1)NC(=O)C12CC3CC(C2)CC(C1)C3)C

STK049071
Synonyms: ethyl4-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C12CC3CC(C2)CC(C1)C3

STK049805
Synonyms: methyl4,5-dimethoxy-2-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}benzoate
Smiles: COC(=O)c1cc(OC)c(cc1NC(=O)c1cc(OC)c(c(c1)OC)OC)OC

STK081675
Synonyms: 2-{(4E)-4-[2-(2,5-dimethoxyphenyl)hydrazinylidene]butyl}-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1N/N=C/CCCN1C(=O)c2c(C1=O)cccc2)OC

STK074012
Synonyms: 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1-phenylethyl)butanamide
Smiles: O=C(NC(c1ccccc1)C)CCCN1C(=O)c2c(C1=O)cccc2

STK036469
Synonyms: 1,4-di(2,3-dihydro-1H-indol-1-yl)butane-1,4-dione
Smiles: O=C(N1CCc2c1cccc2)CCC(=O)N1CCc2c1cccc2

STK074769
Synonyms: 5-(benzyloxy)-N-(chloroacetyl)tryptophan
Smiles: ClCC(=O)NC(C(=O)O)Cc1c[nH]c2c1cc(OCc1ccccc1)cc2

STK092171
Synonyms: 2-[4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C(N1CCc2c1cccc2)CCCN1C(=O)c2c(C1=O)cccc2

STK056696
Synonyms: N-[4-(benzyloxy)phenyl]-4-nitrobenzamide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)OCc1ccccc1

STK055593
Synonyms: (3S,5S)-N-(1-phenylethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Smiles: CC(c1ccccc1)NC(=O)C12CC3C[C@@H](C2)CC(C1)C3

STK012425
Synonyms: 2-{(4E)-4-[2-(4-methoxy-2-nitrophenyl)hydrazinylidene]butyl}-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(c(c1)[N+](=O)[O-])N/N=C/CCCN1C(=O)c2c(C1=O)cccc2

STK066820
Synonyms: 2-{(4E)-4-[2-(2-methoxy-5-nitrophenyl)hydrazinylidene]butyl}-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1N/N=C/CCCN1C(=O)c2c(C1=O)cccc2)[N+](=O)[O-]

STK009719
Synonyms: 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4-methylphenyl)butanamide
Smiles: O=C(Nc1ccc(cc1)C)CCCN1C(=O)c2c(C1=O)cccc2

STK392414
Synonyms: 4-chloro-N-{[1-(1H-indol-3-yl)propan-2-yl]carbamoyl}benzamide
Smiles: CC(Cc1c[nH]c2c1cccc2)NC(=O)NC(=O)c1ccc(cc1)Cl

STK069509
Synonyms: 2-[1-(1H-indol-3-yl)propan-2-yl]-1H-isoindole-1,3(2H)-dione
Smiles: CC(N1C(=O)c2c(C1=O)cccc2)Cc1c[nH]c2c1cccc2

STK077187
Synonyms: 2-[2-(5-methoxy-7-nitro-1H-indol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Smiles: COc1cc2c(CCN3C(=O)c4c(C3=O)cccc4)c[nH]c2c(c1)[N+](=O)[O-]

STK083659
Synonyms: 2-[2-(7-methoxy-5-nitro-1H-indol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Smiles: COc1cc(cc2c1[nH]cc2CCN1C(=O)c2c(C1=O)cccc2)[N+](=O)[O-]

STK028300
Synonyms: N-cyclohexyl-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
Smiles: O=C(NC1CCCCC1)CCCN1C(=O)c2c(C1=O)cccc2

STK392415
Synonyms: N-tert-butyl-N-(4-fluorobenzyl)-4-methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(C(C)(C)C)Cc1ccc(cc1)F

STK049659
Synonyms: N-benzyl-N-tert-butyl-4-nitrobenzamide
Smiles: O=C(N(C(C)(C)C)Cc1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK058511
Synonyms: N-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide
Smiles: [O-][N+](=O)c1ccc(cc1)CN(C(C)(C)C)C(=O)c1ccc(cc1)[N+](=O)[O-]

STK094170
Synonyms: methyl4,5-dimethoxy-2-{[(4-methoxyphenyl)carbonyl]amino}benzoate
Smiles: COc1ccc(cc1)C(=O)Nc1cc(OC)c(cc1C(=O)OC)OC

STK392416
Synonyms: 4-(2,3-dihydro-1H-indol-1-yl)-4-oxo-N-phenylbutanamide
Smiles: O=C(Nc1ccccc1)CCC(=O)N1CCc2c1cccc2

STK055521
Synonyms: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-nitrobenzamide
Smiles: COc1ccc2c(c1)c(CCNC(=O)c1ccc(cc1)[N+](=O)[O-])c[nH]2

STK003191
Synonyms: N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-nitrobenzamide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])NCCc1c[nH]c2c1cccc2C

STK022400
Synonyms: N-[1-(1H-indol-3-yl)propan-2-yl]-4-nitrobenzamide
Smiles: CC(Cc1c[nH]c2c1cccc2)NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK098382
Synonyms: 2-cyano-2-methyl-1-phenylpropylbenzoate
Smiles: N#CC(C(c1ccccc1)OC(=O)c1ccccc1)(C)C

STK085452
Synonyms: 2-chloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
Smiles: COc1ccc2c(c1)c(CCNC(=O)c1ccccc1Cl)c[nH]2

STK080159
Synonyms: 4-chloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
Smiles: COc1ccc2c(c1)c(CCNC(=O)c1ccc(cc1)Cl)c[nH]2

STK067482
Synonyms: 3-ethoxy-1-(3-nitrophenyl)-3-oxopropyl4-nitrobenzoate
Smiles: CCOC(=O)CC(c1cccc(c1)[N+](=O)[O-])OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK031376
Synonyms: 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylbutanamide
Smiles: O=C(Nc1ccccc1)CCCN1C(=O)c2c(C1=O)cccc2

STK023726
Synonyms: 2-cyano-2-methyl-1-phenylpropyl4-chlorobenzoate
Smiles: N#CC(C(c1ccccc1)OC(=O)c1ccc(cc1)Cl)(C)C

STK076532
Synonyms: 1-[4-(benzyloxy)phenyl]-3-methyl-1H-pyrrole-2,5-dione
Smiles: CC1=CC(=O)N(C1=O)c1ccc(cc1)OCc1ccccc1

STK030841
Synonyms: benzyl(2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate
Smiles: [O-][N+](=O)/C(=C\c1c[nH]c2c1cccc2)/C(=O)OCc1ccccc1

STK034861
Synonyms: 2-[2-(1H-indol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(CCc2c[nH]c3c2cccc3)C(=O)c2c1cccc2

STK097738
Synonyms: 2-[(2-chloro-4,6-dimethoxyphenyl)amino]naphthalene-1,4-dione
Smiles: COc1cc(Cl)c(c(c1)OC)NC1=CC(=O)c2c(C1=O)cccc2

STK093133
Synonyms: 2-[2-(1H-indol-3-yl)ethyl]-4-nitro-1H-isoindole-1,3(2H)-dione
Smiles: O=C1c2cccc(c2C(=O)N1CCc1c[nH]c2c1cccc2)[N+](=O)[O-]

STK079367
Synonyms: 4-(phenylcarbonyl)phenylfuran-2-carboxylate
Smiles: O=C(c1ccccc1)c1ccc(cc1)OC(=O)c1ccco1

STK028646
Synonyms: ethyl4-{[(4-methoxyphenyl)carbonyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)OC

STK085097
Synonyms: benzyl(2Z)-3-(benzylamino)-2-nitroprop-2-enoate
Smiles: [O-][N+](=O)/C(=C\NCc1ccccc1)/C(=O)OCc1ccccc1

STK028833
Synonyms: 2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Smiles: Oc1ccc2c(c1)c(CCN1C(=O)c3c(C1=O)cccc3)c[nH]2

STK022070
Synonyms: methyl2-{[(4-chlorophenyl)carbonyl]amino}-4,5-dimethoxybenzoate
Smiles: COC(=O)c1cc(OC)c(cc1NC(=O)c1ccc(cc1)Cl)OC

STK002888
Synonyms: N-[2-(1H-indol-3-yl)ethyl]-4-nitrobenzamide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])NCCc1c[nH]c2c1cccc2

STK061214
Synonyms: 4-chloro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide
Smiles: Clc1ccc(cc1)C(=O)NCCc1c[nH]c2c1cc(O)cc2

STK046371
Synonyms: 4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
Smiles: Clc1ccc(cc1)C(=O)NCCc1c[nH]c2c1cccc2

STK004584
Synonyms: 2-cyano-1-phenylpropyl4-nitrobenzoate
Smiles: CC(C(c1ccccc1)OC(=O)c1ccc(cc1)[N+](=O)[O-])C#N

STK040043
Synonyms: 1-cyano-2-phenylpropan-2-yl4-nitrobenzoate
Smiles: N#CCC(c1ccccc1)(OC(=O)c1ccc(cc1)[N+](=O)[O-])C

STK014531
Synonyms: 2-cyano-1-(2-methoxyphenyl)ethyl4-chlorobenzoate
Smiles: N#CCC(c1ccccc1OC)OC(=O)c1ccc(cc1)Cl

STK018228
Synonyms: N-(biphenyl-4-yl)furan-2-carboxamide
Smiles: O=C(c1ccco1)Nc1ccc(cc1)c1ccccc1

STK025092
Synonyms: (2E)-4-[tert-butyl(4-methylbenzyl)amino]-4-oxobut-2-enoicacid
Smiles: O=C(N(C(C)(C)C)Cc1ccc(cc1)C)/C=C/C(=O)O

STK058318
Synonyms: 4-methyl-N-(4-propoxyphenyl)benzenesulfonamide
Smiles: CCCOc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C

STK039143
Synonyms: N-benzyl-N-tert-butylfuran-2-carboxamide
Smiles: O=C(N(C(C)(C)C)Cc1ccccc1)c1ccco1

STK047371
Synonyms: N-(2,4-dimethoxyphenyl)-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1ccc(cc1OC)OC

STK089747
Synonyms: 4-methoxy-N-(1-phenylethyl)benzamide
Smiles: COc1ccc(cc1)C(=O)NC(c1ccccc1)C

STK017237
Synonyms: 4-nitro-N-(4-propoxyphenyl)benzamide
Smiles: CCCOc1ccc(cc1)NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK005668
Synonyms: N-[1-(1H-indol-3-yl)propan-2-yl]furan-2-carboxamide
Smiles: CC(Cc1c[nH]c2c1cccc2)NC(=O)c1ccco1

STK070456
Synonyms: 4-chloro-N-[4-(propan-2-yloxy)phenyl]benzamide
Smiles: CC(Oc1ccc(cc1)NC(=O)c1ccc(cc1)Cl)C

STK008020
Synonyms: (4-{[(4-methoxyphenyl)carbonyl]amino}phenoxy)aceticacid
Smiles: COc1ccc(cc1)C(=O)Nc1ccc(cc1)OCC(=O)O

STK031378
Synonyms: 2-cyano-2-methyl-1-phenylpropylfuran-2-carboxylate
Smiles: N#CC(C(c1ccccc1)OC(=O)c1ccco1)(C)C

STK123054
Synonyms: 2,3-dihydro-1H-indol-1-yl(4-methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)N1CCc2c1cccc2

STK392417
Synonyms: (4-chlorophenyl)[4-(furan-2-ylcarbonyl)piperazin-1-yl]methanone
Smiles: Clc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccco1

STK086251
Synonyms: N-(furan-2-ylcarbonyl)tryptophan
Smiles: OC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)c1ccco1

STK043085
Synonyms: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide
Smiles: COc1ccc2c(c1)c(CCNC(=O)c1ccco1)c[nH]2

STK013721
Synonyms: 1-[(4-methylphenyl)sulfonyl]-1H-indole-3-carbaldehyde
Smiles: O=Cc1cn(c2c1cccc2)S(=O)(=O)c1ccc(cc1)C

STK031422
Synonyms: 1H-indol-3-yl(4-methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)c1c[nH]c2c1cccc2

STK093175
Synonyms: 1-(2-chlorophenyl)-2-cyanoethyl4-chlorobenzoate
Smiles: N#CCC(c1ccccc1Cl)OC(=O)c1ccc(cc1)Cl

STK023829
Synonyms: 1-(3-chlorophenyl)-2-cyanoethyl4-nitrobenzoate
Smiles: N#CCC(c1cccc(c1)Cl)OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK069411
Synonyms: 2-[(2-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}ethyl)amino]ethanethiol
Smiles: COc1cc2c(CCNCCNCCS)c[nH]c2cc1

STK048747
Synonyms: 3-(2-aminoethyl)-1H-indol-5-yldiethylcarbamate
Smiles: NCCc1c[nH]c2c1cc(cc2)OC(=O)N(CC)CC

STK064527
Synonyms: 4-[benzyl(tert-butyl)amino]-4-oxobutanoicacid
Smiles: O=C(N(C(C)(C)C)Cc1ccccc1)CCC(=O)O

STK041100
Synonyms: (2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoicacid
Smiles: O=C(N(C(C)(C)C)Cc1ccccc1)/C=C/C(=O)O

STK034394
Synonyms: 4-[tert-butyl(2,4-dichlorobenzyl)amino]-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)N(C(C)(C)C)Cc1ccc(cc1Cl)Cl

STK055251
Synonyms: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]cyclopropanecarboxamide
Smiles: COc1ccc2c(c1)c(CCNC(=O)C1CC1)c[nH]2

STK086467
Synonyms: N-[1-(1H-indol-3-yl)propan-2-yl]cyclopropanecarboxamide
Smiles: CC(Cc1c[nH]c2c1cccc2)NC(=O)C1CC1

STK094567
Synonyms: (2E)-4-[tert-butyl(4-chlorobenzyl)amino]-4-oxobut-2-enoicacid
Smiles: O=C(N(C(C)(C)C)Cc1ccc(cc1)Cl)/C=C/C(=O)O

STK098745
Synonyms: (2E)-4-[tert-butyl(2,4-dichlorobenzyl)amino]-4-oxobut-2-enoicacid
Smiles: OC(=O)/C=C/C(=O)N(C(C)(C)C)Cc1ccc(cc1Cl)Cl

STK016288
Synonyms: methyl2-[(furan-2-ylcarbonyl)amino]-4,5-dimethoxybenzoate
Smiles: COC(=O)c1cc(OC)c(cc1NC(=O)c1ccco1)OC

STK085796
Synonyms: 4-nitro-N-(1-phenylpropan-2-yl)benzamide
Smiles: CC(Cc1ccccc1)NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK035301
Synonyms: N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
Smiles: O=C(c1ccco1)NCCc1c[nH]c2c1cccc2

STK020419
Synonyms: 1H-indol-3-yl(phenyl)methanone
Smiles: O=C(c1c[nH]c2c1cccc2)c1ccccc1

STK018006
Synonyms: 1-(tert-butylamino)-3-(5-methyl-2-nitrophenoxy)propan-2-ol
Smiles: OC(COc1cc(C)ccc1[N+](=O)[O-])CNC(C)(C)C

STK022680
Synonyms: 1-(4-methylpiperazin-1-yl)-3-phenoxypropan-2-ol
Smiles: OC(CN1CCN(CC1)C)COc1ccccc1

STK036897
Synonyms: 2-(5-butyl-1H-indol-3-yl)ethanamine
Smiles: CCCCc1ccc2c(c1)c(CCN)c[nH]2

STK068652
Synonyms: 2-(butylamino)-1-(1H-indol-3-yl)ethanone
Smiles: CCCCNCC(=O)c1c[nH]c2c1cccc2

STK042595
Synonyms: methyl(2Z)-3-{[2-(1H-indol-3-yl)ethyl]amino}-2-nitroprop-2-enoate
Smiles: COC(=O)/C(=C/NCCc1c[nH]c2c1cccc2)/[N+](=O)[O-]

STK097044
Synonyms: N-[4-(propan-2-yloxy)phenyl]furan-2-carboxamide
Smiles: CC(Oc1ccc(cc1)NC(=O)c1ccco1)C

STK007509
Synonyms: N-(4-propoxyphenyl)furan-2-carboxamide
Smiles: CCCOc1ccc(cc1)NC(=O)c1ccco1

STK066387
Synonyms: methyl(2E)-3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}prop-2-enoate
Smiles: COC(=O)/C=C/c1ccc(c(c1)OC(=O)OC)OC(=O)OC

STK095754
Synonyms: N,N'-ethane-1,2-diyldipyridine-4-carboxamide
Smiles: O=C(c1ccncc1)NCCNC(=O)c1ccncc1

STK051729
Synonyms: S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl]ethanethioate
Smiles: CC(=O)SC(c1cn(c2c1cccc2)C(=O)C)C[N+](=O)[O-]

STK015820
Synonyms: piperazine-1,4-diylbis(furan-2-ylmethanone)
Smiles: O=C(c1ccco1)N1CCN(CC1)C(=O)c1ccco1

STK058207
Synonyms: 3-methyl-1,1-diphenylurea
Smiles: CNC(=O)N(c1ccccc1)c1ccccc1

STK084590
Synonyms: methyl3-(1-acetyl-1H-indol-3-yl)-2-oxopropanoate
Smiles: COC(=O)C(=O)Cc1cn(c2c1cccc2)C(=O)C

STK068448
Synonyms: methyl(2Z)-3-(1-acetyl-1H-indol-3-yl)-2-nitroprop-2-enoate
Smiles: COC(=O)/C(=C/c1cn(c2c1cccc2)C(=O)C)/[N+](=O)[O-]