AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-42

SMILES stringlengths 2 1.33k	IUPAC stringlengths 6 1.82k
CCNC(=O)[C@@H](C)OC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O	[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
Nc1ccc(Cl)cc1CN1CCOCC1C(=O)NC1CC1	4-[(2-amino-5-chlorophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide
O=C(c1ccc2ccccc2c1)C1C(c2cccc([N+](=O)[O-])c2)C2CCCN2[C@@]12C(=O)Nc1ccc(Cl)cc12	(5S)-5'-chloro-6-(naphthalene-2-carbonyl)-7-(3-nitrophenyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-1H-indole]-2'-one
CS(=O)(=O)Nc1nc2c(s1)CN(C(=O)c1cc3ccccc3[nH]1)CC2	N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide
Nc1c(N2CCCCC2CCO)nc[nH]c1=O	5-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
Cc1cc(NCCNCCNc2cccc3ccccc23)nc2ccccc12	N-[2-[(4-methylquinolin-2-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine
CCC(Oc1cccc(C)c1)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br	N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide
CCNc1nc(NC(CC)(CC)CC)c2[nH]cnc2n1	2-N-ethyl-6-N-(3-ethylpentan-3-yl)-7H-purine-2,6-diamine
CCOc1ccc(CNC(=O)NCC(OCC)OCC)cc1	1-(2,2-diethoxyethyl)-3-[(4-ethoxyphenyl)methyl]urea
Cc1nc(-c2ccccc2)sc1C(=O)Nc1ncccn1	4-methyl-2-phenyl-N-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CCCCCc1cc(C(=O)OCCC(C)=C(F)F)n(C)n1	(4,4-difluoro-3-methylbut-3-enyl) 2-methyl-5-pentylpyrazole-3-carboxylate
CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCCC(=O)O)cn(C)c34)no2)cc1Cl	4-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-3-yl]butanoic acid
COCCOCCOCCOCCOCCOc1cccc(O)c1C1=NC(C)(C(=O)O)CS1	2-[2-hydroxy-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
COC1=C(C=CC(C)CCc2ccccc2)C2CC(=O)OC2C1	5-methoxy-4-(3-methyl-5-phenylpent-1-enyl)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
Cc1sc2ccccc2[n+]1CCCNNc1ccccc1.[Br-]	1-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]-2-phenylhydrazine;bromide
C/C(=C\C(=O)O)C[C@@H](C)[C@](C)(O)C(=O)O	(E,5R,6S)-6-hydroxy-3,5,6-trimethylhept-2-enedioic acid
N=Cc1c(N)ncnc1Nc1ncnc2nc(-c3c(Cl)cccc3Cl)[nH]c12	4-N-[8-(2,6-dichlorophenyl)-7H-purin-6-yl]-5-methanimidoylpyrimidine-4,6-diamine
CCOC(=O)C1=C(CN2CCN3C(=O)N(C45C6C7C4C4C5C6C74C(=O)O)C[C@@H]3C2)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl	4-[(8aS)-7-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-ethoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]cubane-1-carboxylic acid
CC1CCN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)S1(=O)=O	tert-butyl (3S)-3-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxylate
CCC(C)(CC)C(=O)/C=C(\O)C(C)(CC)CC.Cc1cc(C)c2c(C)cc(-c3[c-]ccc4c3C(C)(C)c3c-4oc4ccc(CC(C)C)cc34)nc2c1.[Ir]	(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;2-[10,10-dimethyl-8-(2-methylpropyl)-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl]-4,5,7-trimethylquinoline;iridium
NC(=O)CN(CC(=O)O)C(=O)Nc1cc(Br)ccc1Br	2-[(2-amino-2-oxoethyl)-[(2,5-dibromophenyl)carbamoyl]amino]acetic acid
C/C(=N\N=C1/C(=O)OC(c2ccccc2)=C1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	(3Z)-4-benzoyl-3-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-5-phenylfuran-2-one
CC(C)NC(C#N)c1ccc(Cl)c2cccnc12	2-(5-chloroquinolin-8-yl)-2-(propan-2-ylamino)acetonitrile
C=C(NC)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C	N-cyclopropyl-4-methyl-3-[[5-methyl-6-[1-(methylamino)ethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
C=CCc1nc(-c2cncc(F)c2)cnc1N	5-(5-fluoropyridin-3-yl)-3-prop-2-enylpyrazin-2-amine
CC(O)CCCNc1ccc(C(=O)O)c(F)c1	2-fluoro-4-(4-hydroxypentylamino)benzoic acid
[HH].[HH].c1csc(-c2n[nH]c3ccc(C4=NNNN4)cc23)c1	5-(2,3-dihydro-1H-tetrazol-5-yl)-3-thiophen-2-yl-1H-indazole;molecular hydrogen
CN(CCc1c[nH]c2nc(N)[nH]c(=O)c12)c1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)c(F)c1	(2S)-2-[[(4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl-methylamino]-2-fluorobenzoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
Cc1nc(-c2ncccn2)ncc1C(=O)Nn1cc(CC(F)(F)F)c2cccnc21	4-methyl-2-pyrimidin-2-yl-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide
CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)/C(N)=N/N=NC)c2nc(C(F)(F)F)ccc2N1C(=O)OC1CCOCC1	oxan-4-yl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(E)-N'-(methyldiazenyl)carbamimidoyl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CCc1ccc(OCCCn2c(Cc3ccccc3)nc3ccccc32)cc1	2-benzyl-1-[3-(4-ethylphenoxy)propyl]benzimidazole
O=C(C1CC1c1ccccc1F)N1CCN(Cc2ccc(Br)s2)CC1	[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone
CC(C)(CO)CCCNS(=O)(=O)Cc1cccc(F)c1	1-(3-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)methanesulfonamide
COc1ccc2c(c1)C(OS(=O)(=O)C(F)(F)F)=CCC2	(7-methoxy-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate
CC=Cc1ccc(OCCCn2cnc3cc(C)c(C)cc32)c(OC)c1	1-[3-(2-methoxy-4-prop-1-enylphenoxy)propyl]-5,6-dimethylbenzimidazole
CC(C)CC(C=O)[B-]12OC(=O)C[N+]1(C)CC(=O)O2	4-methyl-2-(5-methyl-3,7-dioxo-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-1-yl)pentanal
CC(CO)(CO)CN1CC(C)(C)OC(C)(C)C1	2-methyl-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propane-1,3-diol
C/C=C/C=C/C=C/C(=O)OC1C=C(CO)C(O)(CO)C2(C)CCCC(C)(C)C12	[4-hydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] (2E,4E,6E)-octa-2,4,6-trienoate
CO[C@H]1[C@@H](O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)C(C)C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)C[C@H](O)[C@H](C)/C=C(\C)[C@H]1O	(1R,9S,12S,14S,15R,16E,18R,19S,20S,21R,23S,24E,26E,28E,32S,35R)-1,14,18,20-tetrahydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,29,30,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10-trione
COc1ccc(N)c(OCc2cccnc2C#N)c1	3-[(2-amino-5-methoxyphenoxy)methyl]pyridine-2-carbonitrile
CCN(CC)CC(=O)NC1CCCc2ccccc21	2-(diethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
COc1c(C)cc(Cl)cc1C(N)N	(5-chloro-2-methoxy-3-methylphenyl)methanediamine
O=C(Nc1ccc(C(=O)N/N=C/c2ccccc2)cc1)NC1CCCCC1	N-[(E)-benzylideneamino]-4-(cyclohexylcarbamoylamino)benzamide
CCNCc1cn(C)nc1-c1cc(F)ccc1F	N-[[3-(2,5-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine
CCOC(=O)CC(C)C(=S)Nc1ccccc1	ethyl 4-anilino-3-methyl-4-sulfanylidenebutanoate
CN(C)C(=O)c1cccc(CCC(=O)c2cccc3cc(N(CC(=O)O)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc23)c1	2-[(3,5-dichlorophenyl)sulfonyl-[5-[3-[3-(dimethylcarbamoyl)phenyl]propanoyl]naphthalen-2-yl]amino]acetic acid
CC(C)(C)C1CC(N(Cc2ccc3c(c2)OCCO3)C(=O)O)CCN1CCn1c(=O)ccc2c([N+](=O)[O-])cccc21	[2-tert-butyl-1-[2-(5-nitro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamic acid
COc1cccc(NC(=O)c2ccc(NC(=O)NCc3cn[nH]c3)cc2)c1	N-(3-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide
C=Cc1c2cccc3cccc(c4cccc(=C)c14)c32.CC	ethane;7-ethenyl-8-methylidenebenzo[a]phenalene
C[C@H](NCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1ccco1	N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
NC(N)=N[NH+]=Cc1ccc(C=O)cc1	(diaminomethylideneamino)-[(4-formylphenyl)methylidene]azanium
O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1cc2c(cc1Cl)OCO2	N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetamide
Cc1cnc(-n2ncc(C(=O)N(C)CCCI)c2C)nc1-c1cccs1	N-(3-iodopropyl)-N,5-dimethyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
NNc1cn2ccnc2c(Sc2nccc(=O)[nH]2)n1	2-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)sulfanyl-1H-pyrimidin-6-one
CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O	(2R)-N-methyl-2-[[2-(N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CCOC(=O)C1(C(=O)OCC)Cc2cnc(-c3ccccn3)c([Si](C)(C)C)c2C1	diethyl 3-pyridin-2-yl-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
Cc1ccc(C)c(NC(=O)CCC(=O)N/N=C(/c2ccccc2)C(C)C)c1	N-(2,5-dimethylphenyl)-N'-[(E)-(2-methyl-1-phenylpropylidene)amino]butanediamide
O=C(NC1CCNC12CC2)c1ccc(Oc2ccccc2)nc1	N-(4-azaspiro[2.4]heptan-7-yl)-6-phenoxypyridine-3-carboxamide
Cc1ccc(C2=NOC3(CCN(C(=O)Nc4ccc(Cl)cc4C(F)(F)F)CC3)C2)cc1	N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
CC=Nc1c(N)nc(SC)[nH]c1=O	4-amino-5-(ethylideneamino)-2-methylsulfanyl-1H-pyrimidin-6-one
C=CC(=O)NCc1ccc(C(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1	N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-[(prop-2-enoylamino)methyl]benzamide
c1ccc2c(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5cccc6sc7ccccc7c56)cc4)cc3)cccc2c1	N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
COc1ccc(N2C(=O)SC(c3ccccc3)C2=O)cc1	3-(4-methoxyphenyl)-5-phenyl-1,3-thiazolidine-2,4-dione
CNCCCc1cnn(C(C)C)c1C(F)(F)F	N-methyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-amine
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](COP(=O)([O-])[O-])Cc1ccc(C#CC2=CCCCC2)cc1.CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](COP(=O)([O-])[O-])Cc1ccc(Cl)cc1.CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](COP(=O)([O-])[O-])Cc1cccc2ccccc12.CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)COP(=O)([O-])[O-].CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](COP(=O)([O-])[O-])Cc1ccc(/C=C/c2ccccc2)cc1.CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](COP(=O)([O-])[O-])Cc1ccc(Cl)cc1	[(2R)-3-(4-chlorophenyl)-2-[[(Z)-octadec-9-enoyl]amino]propyl] phosphate;[(2S)-3-(4-chlorophenyl)-2-[[(Z)-octadec-9-enoyl]amino]propyl] phosphate;[(2R)-3-[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]-2-[[(Z)-octadec-9-enoyl]amino]propyl] phosphate;[(2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[[(Z)-octadec-9-enoyl]amino]propyl] phosphate;[(2R)-3-naphthalen-1-yl-2-[[(Z)-octadec-9-enoyl]amino]propyl] phosphate;[(2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-[4-[(E)-2-phenylethenyl]phenyl]propyl] phosphate
O=c1[nH]c2cccnc2cc1-c1nn[nH]n1	3-(2H-tetrazol-5-yl)-1H-1,5-naphthyridin-2-one
CCOc1ccc(C(C)=O)cc1CN1C(=O)CS/C1=C\C(=O)OC	methyl (2Z)-2-[3-[(5-acetyl-2-ethoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CCC1CCC(CN)(N2CCCc3ccccc32)CC1	[1-(3,4-dihydro-2H-quinolin-1-yl)-4-ethylcyclohexyl]methanamine
CC[C@@H]1C[C@H]1NC(C)C(N)=O	2-[[(1R,2R)-2-ethylcyclopropyl]amino]propanamide
C/C=C(\C=C/N)COCc1ccc(C(C)(C)C2=CC3=CC(F)=CNC3N2)cc1	(1Z,3E)-3-[[4-[2-(5-fluoro-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-yl]phenyl]methoxymethyl]penta-1,3-dien-1-amine
COc1ccc2cc([C@@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccc(OC)c(OC)c6)coc5c43)c(=O)[nH]c2c1	(10R)-3-(3,4-dimethoxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CCCN(CC)Cc1ccc(-c2nc(C3(N)CCC3)no2)cc1	1-[5-[4-[[ethyl(propyl)amino]methyl]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
O=C(NCC1=CCNCC1)Nc1cc(Cl)cc(Cl)c1	1-(3,5-dichlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-ylmethyl)urea
c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cnc6ccccc6c5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cnc6ccccc6c5)cc4)nc(-c4ccc(-c5ccccn5)cc4)n3)cc2)nc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5cc6ccccc6cn5)cc4)nc(-c4cccc(-c5ccncc5)c4)n3)c2)nc1	3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline;3-[4-[2,6-bis(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]quinoline;3-[4-[6-(3-pyridin-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
Cc1ncsc1C(C)NC1CCCC1C#N	2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]cyclopentane-1-carbonitrile
CNc1cc(OC2CC2)cc(C(N)=O)n1	4-cyclopropyloxy-6-(methylamino)pyridine-2-carboxamide
CCOc1cccc(NC(C)C(=O)OC)n1	methyl 2-[(6-ethoxypyridin-2-yl)amino]propanoate
COc1cccc([C@H]2CCN2Cc2cc(-c3cccnc3)no2)c1	5-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
CC(C)c1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1	N-[(1S)-1-phenylethyl]-4-propan-2-ylbenzamide
CCC1(C)CCN(c2cc(OC)ccc2C(=N)N)CC1	2-(4-ethyl-4-methylpiperidin-1-yl)-4-methoxybenzenecarboximidamide
N#Cc1ccc(C(Cl)N=O)cc1	4-[chloro(nitroso)methyl]benzonitrile
CC(C)CC(NC(c1ccc2c(c1)oc1ccc(/C(C=N)=C/N)cc12)C(F)(F)F)C(=O)NC1(C#N)CC1	2-[[1-[8-[(Z)-1-amino-3-iminoprop-1-en-2-yl]dibenzofuran-3-yl]-2,2,2-trifluoroethyl]amino]-N-(1-cyanocyclopropyl)-4-methylpentanamide
COc1cc(NC(=O)C/C(C)=N\NC(=O)c2ccccn2)c(OC)cc1Cl	N-[(Z)-[4-(4-chloro-2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide
CC(C)Oc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cc1	(4-propan-2-yloxyphenyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone
O=C(CCC1CCN(C(=O)Cc2ccccc2F)CC1)Nc1ccc2c(c1)OCCO2	N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propanamide
CC(Nc1nc2c(F)cccc2s1)C(=O)O	2-[(4-fluoro-1,3-benzothiazol-2-yl)amino]propanoic acid
Brc1ccc2c(c1)C1(CCNCC1)CN2	5-bromospiro[1,2-dihydroindole-3,4'-piperidine]
CC.CC/C=C\N(C)c1ccc(OC(F)(F)F)cc1NCCCN(CC)CO.COCc1ccccc1	[3-[2-[[(Z)-but-1-enyl]-methylamino]-5-(trifluoromethoxy)anilino]propyl-ethylamino]methanol;ethane;methoxymethylbenzene
CC(C(=O)NCc1csc(-c2ccccc2)n1)n1nc(-c2ccncc2)ccc1=O	2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
COc1ccc(C2Nc3ccccc3C(=O)N2NC(=O)COc2ccc(Cl)cc2C)cc1OC	2-(4-chloro-2-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
O=C(Nc1ccccc1Sc1nc(Br)nn1CCc1ccccc1)c1ccc(F)cc1	N-[2-[[5-bromo-2-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-4-fluorobenzamide
C[C@@H](O)c1cc(F)ccc1Oc1cc(F)cc(Br)c1	(1R)-1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanol
CC(C)(C)c1cccc2[nH]c(N3CCNCC3)nc12	4-tert-butyl-2-piperazin-1-yl-1H-benzimidazole
C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@@](C)(O)CC(=O)NC(C)C	(3S)-3-[(1S,3aS,4E,7aS)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-hydroxy-N-propan-2-ylbutanamide
O=C([O-])c1cc(-c2ccc(C(F)(F)F)cc2)n2nc(-c3ccc(Br)cc3F)cc2n1	2-(4-bromo-2-fluorophenyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate
O=Cc1ccc(OC2N=C(Oc3ccc(OCCCOc4ccc(O)cc4)cc3)NC(Oc3ccc(OCCCOc4ccc(O)cc4)cc3)N2)cc1	4-[[2,6-bis[4-[3-(4-hydroxyphenoxy)propoxy]phenoxy]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]oxy]benzaldehyde
CCO[Si](C)(C)CCCN(CC1CO1)CC1CO1	3-[ethoxy(dimethyl)silyl]-N,N-bis(oxiran-2-ylmethyl)propan-1-amine
C/C1=[13CH]\CC[C@H](C)[13C@@H](C)O[13C](=O)/C=C/[C@](C)(O)/[13CH]=C/[C@@H]1O	(3E,5R,6E,8S,9E,13S,14R)-5,8-dihydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCCN(CCCCc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]butyl]piperidin-3-yl]methylamino]-3-nitrophenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Cc1c(C)c(C)c2c(C)c(CN3CC=C(c4cn(-c5ccccc5)c5ccccc45)CC3)oc2c1N	3,4,5,6-tetramethyl-2-[[4-(1-phenylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-benzofuran-7-amine

CCNC(=O)[C@@H](C)OC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate

Nc1ccc(Cl)cc1CN1CCOCC1C(=O)NC1CC1

4-[(2-amino-5-chlorophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide

O=C(c1ccc2ccccc2c1)C1C(c2cccc([N+](=O)[O-])c2)C2CCCN2[C@@]12C(=O)Nc1ccc(Cl)cc12

(5S)-5'-chloro-6-(naphthalene-2-carbonyl)-7-(3-nitrophenyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-1H-indole]-2'-one

CS(=O)(=O)Nc1nc2c(s1)CN(C(=O)c1cc3ccccc3[nH]1)CC2

N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide

Nc1c(N2CCCCC2CCO)nc[nH]c1=O

5-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one

Cc1cc(NCCNCCNc2cccc3ccccc23)nc2ccccc12

N-[2-[(4-methylquinolin-2-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine

CCC(Oc1cccc(C)c1)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br

N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide

CCNc1nc(NC(CC)(CC)CC)c2[nH]cnc2n1

2-N-ethyl-6-N-(3-ethylpentan-3-yl)-7H-purine-2,6-diamine

CCOc1ccc(CNC(=O)NCC(OCC)OCC)cc1

1-(2,2-diethoxyethyl)-3-[(4-ethoxyphenyl)methyl]urea

Cc1nc(-c2ccccc2)sc1C(=O)Nc1ncccn1

4-methyl-2-phenyl-N-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

CCCCCc1cc(C(=O)OCCC(C)=C(F)F)n(C)n1

(4,4-difluoro-3-methylbut-3-enyl) 2-methyl-5-pentylpyrazole-3-carboxylate

CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCCC(=O)O)cn(C)c34)no2)cc1Cl

4-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-3-yl]butanoic acid

COCCOCCOCCOCCOCCOc1cccc(O)c1C1=NC(C)(C(=O)O)CS1

2-[2-hydroxy-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid

COC1=C(C=CC(C)CCc2ccccc2)C2CC(=O)OC2C1

5-methoxy-4-(3-methyl-5-phenylpent-1-enyl)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one

Cc1sc2ccccc2[n+]1CCCNNc1ccccc1.[Br-]

1-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]-2-phenylhydrazine;bromide

C/C(=C\C(=O)O)C[C@@H](C)[C@](C)(O)C(=O)O

(E,5R,6S)-6-hydroxy-3,5,6-trimethylhept-2-enedioic acid

N=Cc1c(N)ncnc1Nc1ncnc2nc(-c3c(Cl)cccc3Cl)[nH]c12

4-N-[8-(2,6-dichlorophenyl)-7H-purin-6-yl]-5-methanimidoylpyrimidine-4,6-diamine

CCOC(=O)C1=C(CN2CCN3C(=O)N(C45C6C7C4C4C5C6C74C(=O)O)C[C@@H]3C2)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl

4-[(8aS)-7-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-ethoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]cubane-1-carboxylic acid

CC1CCN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)S1(=O)=O

tert-butyl (3S)-3-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxylate

CCC(C)(CC)C(=O)/C=C(\O)C(C)(CC)CC.Cc1cc(C)c2c(C)cc(-c3[c-]ccc4c3C(C)(C)c3c-4oc4ccc(CC(C)C)cc34)nc2c1.[Ir]

(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;2-[10,10-dimethyl-8-(2-methylpropyl)-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl]-4,5,7-trimethylquinoline;iridium

NC(=O)CN(CC(=O)O)C(=O)Nc1cc(Br)ccc1Br

2-[(2-amino-2-oxoethyl)-[(2,5-dibromophenyl)carbamoyl]amino]acetic acid

C/C(=N\N=C1/C(=O)OC(c2ccccc2)=C1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1

(3Z)-4-benzoyl-3-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-5-phenylfuran-2-one

CC(C)NC(C#N)c1ccc(Cl)c2cccnc12

2-(5-chloroquinolin-8-yl)-2-(propan-2-ylamino)acetonitrile

C=C(NC)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C

N-cyclopropyl-4-methyl-3-[[5-methyl-6-[1-(methylamino)ethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide

C=CCc1nc(-c2cncc(F)c2)cnc1N

5-(5-fluoropyridin-3-yl)-3-prop-2-enylpyrazin-2-amine

CC(O)CCCNc1ccc(C(=O)O)c(F)c1

2-fluoro-4-(4-hydroxypentylamino)benzoic acid

[HH].[HH].c1csc(-c2n[nH]c3ccc(C4=NNNN4)cc23)c1

5-(2,3-dihydro-1H-tetrazol-5-yl)-3-thiophen-2-yl-1H-indazole;molecular hydrogen

CN(CCc1c[nH]c2nc(N)[nH]c(=O)c12)c1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)c(F)c1

(2S)-2-[[(4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl-methylamino]-2-fluorobenzoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid

Cc1nc(-c2ncccn2)ncc1C(=O)Nn1cc(CC(F)(F)F)c2cccnc21

4-methyl-2-pyrimidin-2-yl-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide

CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)/C(N)=N/N=NC)c2nc(C(F)(F)F)ccc2N1C(=O)OC1CCOCC1

oxan-4-yl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(E)-N'-(methyldiazenyl)carbamimidoyl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

CCc1ccc(OCCCn2c(Cc3ccccc3)nc3ccccc32)cc1

2-benzyl-1-[3-(4-ethylphenoxy)propyl]benzimidazole

O=C(C1CC1c1ccccc1F)N1CCN(Cc2ccc(Br)s2)CC1

[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone

CC(C)(CO)CCCNS(=O)(=O)Cc1cccc(F)c1

1-(3-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)methanesulfonamide

COc1ccc2c(c1)C(OS(=O)(=O)C(F)(F)F)=CCC2

(7-methoxy-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate

CC=Cc1ccc(OCCCn2cnc3cc(C)c(C)cc32)c(OC)c1

1-[3-(2-methoxy-4-prop-1-enylphenoxy)propyl]-5,6-dimethylbenzimidazole

CC(C)CC(C=O)[B-]12OC(=O)C[N+]1(C)CC(=O)O2

4-methyl-2-(5-methyl-3,7-dioxo-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-1-yl)pentanal

CC(CO)(CO)CN1CC(C)(C)OC(C)(C)C1

2-methyl-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propane-1,3-diol

C/C=C/C=C/C=C/C(=O)OC1C=C(CO)C(O)(CO)C2(C)CCCC(C)(C)C12

[4-hydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] (2E,4E,6E)-octa-2,4,6-trienoate

CO[C@H]1[C@@H](O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)C(C)C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)C[C@H](O)[C@H](C)/C=C(\C)[C@H]1O

(1R,9S,12S,14S,15R,16E,18R,19S,20S,21R,23S,24E,26E,28E,32S,35R)-1,14,18,20-tetrahydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,29,30,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10-trione

COc1ccc(N)c(OCc2cccnc2C#N)c1

3-[(2-amino-5-methoxyphenoxy)methyl]pyridine-2-carbonitrile

CCN(CC)CC(=O)NC1CCCc2ccccc21

2-(diethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

COc1c(C)cc(Cl)cc1C(N)N

(5-chloro-2-methoxy-3-methylphenyl)methanediamine

O=C(Nc1ccc(C(=O)N/N=C/c2ccccc2)cc1)NC1CCCCC1

N-[(E)-benzylideneamino]-4-(cyclohexylcarbamoylamino)benzamide

CCNCc1cn(C)nc1-c1cc(F)ccc1F

N-[[3-(2,5-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine

CCOC(=O)CC(C)C(=S)Nc1ccccc1

ethyl 4-anilino-3-methyl-4-sulfanylidenebutanoate

CN(C)C(=O)c1cccc(CCC(=O)c2cccc3cc(N(CC(=O)O)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc23)c1

2-[(3,5-dichlorophenyl)sulfonyl-[5-[3-[3-(dimethylcarbamoyl)phenyl]propanoyl]naphthalen-2-yl]amino]acetic acid

CC(C)(C)C1CC(N(Cc2ccc3c(c2)OCCO3)C(=O)O)CCN1CCn1c(=O)ccc2c([N+](=O)[O-])cccc21

[2-tert-butyl-1-[2-(5-nitro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamic acid

COc1cccc(NC(=O)c2ccc(NC(=O)NCc3cn[nH]c3)cc2)c1

N-(3-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide

C=Cc1c2cccc3cccc(c4cccc(=C)c14)c32.CC

ethane;7-ethenyl-8-methylidenebenzo[a]phenalene

C[C@H](NCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1ccco1

N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide

NC(N)=N[NH+]=Cc1ccc(C=O)cc1

(diaminomethylideneamino)-[(4-formylphenyl)methylidene]azanium

O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1cc2c(cc1Cl)OCO2

N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetamide

Cc1cnc(-n2ncc(C(=O)N(C)CCCI)c2C)nc1-c1cccs1

N-(3-iodopropyl)-N,5-dimethyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

NNc1cn2ccnc2c(Sc2nccc(=O)[nH]2)n1

2-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)sulfanyl-1H-pyrimidin-6-one

CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O

(2R)-N-methyl-2-[[2-(N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide

CCOC(=O)C1(C(=O)OCC)Cc2cnc(-c3ccccn3)c([Si](C)(C)C)c2C1

diethyl 3-pyridin-2-yl-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate

Cc1ccc(C)c(NC(=O)CCC(=O)N/N=C(/c2ccccc2)C(C)C)c1

N-(2,5-dimethylphenyl)-N'-[(E)-(2-methyl-1-phenylpropylidene)amino]butanediamide

O=C(NC1CCNC12CC2)c1ccc(Oc2ccccc2)nc1

N-(4-azaspiro[2.4]heptan-7-yl)-6-phenoxypyridine-3-carboxamide

Cc1ccc(C2=NOC3(CCN(C(=O)Nc4ccc(Cl)cc4C(F)(F)F)CC3)C2)cc1

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide

CC=Nc1c(N)nc(SC)[nH]c1=O

4-amino-5-(ethylideneamino)-2-methylsulfanyl-1H-pyrimidin-6-one

C=CC(=O)NCc1ccc(C(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1

N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-[(prop-2-enoylamino)methyl]benzamide

c1ccc2c(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5cccc6sc7ccccc7c56)cc4)cc3)cccc2c1

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine

COc1ccc(N2C(=O)SC(c3ccccc3)C2=O)cc1

3-(4-methoxyphenyl)-5-phenyl-1,3-thiazolidine-2,4-dione

CNCCCc1cnn(C(C)C)c1C(F)(F)F

N-methyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-amine

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](COP(=O)([O-])[O-])Cc1ccc(C#CC2=CCCCC2)cc1.CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](COP(=O)([O-])[O-])Cc1ccc(Cl)cc1.CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](COP(=O)([O-])[O-])Cc1cccc2ccccc12.CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)COP(=O)([O-])[O-].CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](COP(=O)([O-])[O-])Cc1ccc(/C=C/c2ccccc2)cc1.CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](COP(=O)([O-])[O-])Cc1ccc(Cl)cc1

[(2R)-3-(4-chlorophenyl)-2-[[(Z)-octadec-9-enoyl]amino]propyl] phosphate;[(2S)-3-(4-chlorophenyl)-2-[[(Z)-octadec-9-enoyl]amino]propyl] phosphate;[(2R)-3-[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]-2-[[(Z)-octadec-9-enoyl]amino]propyl] phosphate;[(2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[[(Z)-octadec-9-enoyl]amino]propyl] phosphate;[(2R)-3-naphthalen-1-yl-2-[[(Z)-octadec-9-enoyl]amino]propyl] phosphate;[(2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-[4-[(E)-2-phenylethenyl]phenyl]propyl] phosphate

O=c1[nH]c2cccnc2cc1-c1nn[nH]n1

3-(2H-tetrazol-5-yl)-1H-1,5-naphthyridin-2-one

CCOc1ccc(C(C)=O)cc1CN1C(=O)CS/C1=C\C(=O)OC

methyl (2Z)-2-[3-[(5-acetyl-2-ethoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

CCC1CCC(CN)(N2CCCc3ccccc32)CC1

[1-(3,4-dihydro-2H-quinolin-1-yl)-4-ethylcyclohexyl]methanamine

CC[C@@H]1C[C@H]1NC(C)C(N)=O

2-[[(1R,2R)-2-ethylcyclopropyl]amino]propanamide

C/C=C(\C=C/N)COCc1ccc(C(C)(C)C2=CC3=CC(F)=CNC3N2)cc1

(1Z,3E)-3-[[4-[2-(5-fluoro-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-yl]phenyl]methoxymethyl]penta-1,3-dien-1-amine

COc1ccc2cc([C@@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccc(OC)c(OC)c6)coc5c43)c(=O)[nH]c2c1

(10R)-3-(3,4-dimethoxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

CCCN(CC)Cc1ccc(-c2nc(C3(N)CCC3)no2)cc1

1-[5-[4-[[ethyl(propyl)amino]methyl]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

O=C(NCC1=CCNCC1)Nc1cc(Cl)cc(Cl)c1

1-(3,5-dichlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-ylmethyl)urea

c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cnc6ccccc6c5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cnc6ccccc6c5)cc4)nc(-c4ccc(-c5ccccn5)cc4)n3)cc2)nc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5cc6ccccc6cn5)cc4)nc(-c4cccc(-c5ccncc5)c4)n3)c2)nc1

3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline;3-[4-[2,6-bis(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]quinoline;3-[4-[6-(3-pyridin-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline

Cc1ncsc1C(C)NC1CCCC1C#N

2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]cyclopentane-1-carbonitrile

CNc1cc(OC2CC2)cc(C(N)=O)n1

4-cyclopropyloxy-6-(methylamino)pyridine-2-carboxamide

CCOc1cccc(NC(C)C(=O)OC)n1

methyl 2-[(6-ethoxypyridin-2-yl)amino]propanoate

COc1cccc([C@H]2CCN2Cc2cc(-c3cccnc3)no2)c1

5-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole

CC(C)c1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1

N-[(1S)-1-phenylethyl]-4-propan-2-ylbenzamide

CCC1(C)CCN(c2cc(OC)ccc2C(=N)N)CC1

2-(4-ethyl-4-methylpiperidin-1-yl)-4-methoxybenzenecarboximidamide

N#Cc1ccc(C(Cl)N=O)cc1

4-[chloro(nitroso)methyl]benzonitrile

CC(C)CC(NC(c1ccc2c(c1)oc1ccc(/C(C=N)=C/N)cc12)C(F)(F)F)C(=O)NC1(C#N)CC1

2-[[1-[8-[(Z)-1-amino-3-iminoprop-1-en-2-yl]dibenzofuran-3-yl]-2,2,2-trifluoroethyl]amino]-N-(1-cyanocyclopropyl)-4-methylpentanamide

COc1cc(NC(=O)C/C(C)=N\NC(=O)c2ccccn2)c(OC)cc1Cl

N-[(Z)-[4-(4-chloro-2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide

CC(C)Oc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cc1

(4-propan-2-yloxyphenyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone

O=C(CCC1CCN(C(=O)Cc2ccccc2F)CC1)Nc1ccc2c(c1)OCCO2

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propanamide

CC(Nc1nc2c(F)cccc2s1)C(=O)O

2-[(4-fluoro-1,3-benzothiazol-2-yl)amino]propanoic acid

Brc1ccc2c(c1)C1(CCNCC1)CN2

5-bromospiro[1,2-dihydroindole-3,4'-piperidine]

CC.CC/C=C\N(C)c1ccc(OC(F)(F)F)cc1NCCCN(CC)CO.COCc1ccccc1

[3-[2-[[(Z)-but-1-enyl]-methylamino]-5-(trifluoromethoxy)anilino]propyl-ethylamino]methanol;ethane;methoxymethylbenzene

CC(C(=O)NCc1csc(-c2ccccc2)n1)n1nc(-c2ccncc2)ccc1=O

2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide

COc1ccc(C2Nc3ccccc3C(=O)N2NC(=O)COc2ccc(Cl)cc2C)cc1OC

2-(4-chloro-2-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide

O=C(Nc1ccccc1Sc1nc(Br)nn1CCc1ccccc1)c1ccc(F)cc1

N-[2-[[5-bromo-2-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-4-fluorobenzamide

C[C@@H](O)c1cc(F)ccc1Oc1cc(F)cc(Br)c1

(1R)-1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanol

CC(C)(C)c1cccc2[nH]c(N3CCNCC3)nc12

4-tert-butyl-2-piperazin-1-yl-1H-benzimidazole

C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@@](C)(O)CC(=O)NC(C)C

(3S)-3-[(1S,3aS,4E,7aS)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-hydroxy-N-propan-2-ylbutanamide

O=C([O-])c1cc(-c2ccc(C(F)(F)F)cc2)n2nc(-c3ccc(Br)cc3F)cc2n1

2-(4-bromo-2-fluorophenyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate

O=Cc1ccc(OC2N=C(Oc3ccc(OCCCOc4ccc(O)cc4)cc3)NC(Oc3ccc(OCCCOc4ccc(O)cc4)cc3)N2)cc1

4-[[2,6-bis[4-[3-(4-hydroxyphenoxy)propoxy]phenoxy]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]oxy]benzaldehyde

CCO[Si](C)(C)CCCN(CC1CO1)CC1CO1

3-[ethoxy(dimethyl)silyl]-N,N-bis(oxiran-2-ylmethyl)propan-1-amine

C/C1=[13CH]\CC[C@H](C)[13C@@H](C)O[13C](=O)/C=C/[C@](C)(O)/[13CH]=C/[C@@H]1O

(3E,5R,6E,8S,9E,13S,14R)-5,8-dihydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one

CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCCN(CCCCc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1

4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]butyl]piperidin-3-yl]methylamino]-3-nitrophenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

Cc1c(C)c(C)c2c(C)c(CN3CC=C(c4cn(-c5ccccc5)c5ccccc45)CC3)oc2c1N

3,4,5,6-tetramethyl-2-[[4-(1-phenylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-benzofuran-7-amine