AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-22

SMILES stringlengths 2 905	IUPAC stringlengths 6 1.74k
CC(C)C(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C(N)=O)cc1	N-[1-(4-carbamoylphenyl)-2-methylpropyl]-4-phenylbenzamide
CCC(C)C1NC(=O)CCN(c2ccc(F)c(Cl)c2)C1=O	3-butan-2-yl-1-(3-chloro-4-fluorophenyl)-1,4-diazepane-2,5-dione
CCOCC(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1	[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] 2-ethoxyacetate
Clc1cccc(-c2ccccc2-c2cccc3c2-c2ccccc2C32c3ccccc3-c3cc4ccccc4cc32)c1	4'-[2-(3-chlorophenyl)phenyl]spiro[benzo[b]fluorene-11,9'-fluorene]
O=C(O)C#Cc1cc2cc(Cl)ccc2o1	3-(5-chloro-1-benzofuran-2-yl)prop-2-ynoic acid
N.N.O=[N+]([O-])O	azane;nitric acid
CNC(c1ccc(Br)c(Cl)c1F)C(C)(C)N(C)C	1-(4-bromo-3-chloro-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
COc1ccc(/C=N\NC(=O)C[NH+]2CC[NH+](Cc3ccccc3Cl)CC2)cc1	2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
Clc1ccc(CCc2ccccc2)cc1.N	azane;1-chloro-4-(2-phenylethyl)benzene
CN(c1ncnc2cc([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)ccc12)C1CCCC1	[[(2R,3S,4R,5S)-5-[4-[cyclopentyl(methyl)amino]quinazolin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CCC(CC)(CN)CS(=O)(=O)F	2-(aminomethyl)-2-ethylbutane-1-sulfonyl fluoride
N/C(CCCCCCC(=O)Nc1ccccc1)=N/O	(8E)-8-amino-8-hydroxyimino-N-phenyloctanamide
N#CC1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)C1c1ccc(Br)s1	2-amino-1-(4-bromophenyl)-4-(5-bromothiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CC1(CS(=O)(=O)c2ccc(OCC(=CF)CN)cc2)CCN(C(=O)C2(C(F)(F)F)CC2)CC1	[4-[[4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]sulfonylmethyl]-4-methylpiperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
c1ccc2c(c1)CCC(NCc1ccc3c(c1)CCO3)C2	N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
Cc1ccc(NC(=O)CCCN)cc1NC(=O)C1CCCCC1	N-[5-(4-aminobutanoylamino)-2-methylphenyl]cyclohexanecarboxamide
Cc1ccc(C2=CC(O)Nc3c(-c4ccc(Cl)c(Cl)c4)c(C(F)(F)F)nn32)c(O)c1	3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrimidin-5-ol
CC1CC(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)=CC=N1	(2,3,4,5,6-pentafluorophenyl) 2-methyl-2,3-dihydropyridine-4-carboxylate
O=c1c2cc(-c3cccc(Br)c3)nn2ccn1CC(O)c1ccc(F)cc1	2-(3-bromophenyl)-5-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CC(C)(O)c1nnc(-c2cnc3c(c2Cl)C=CC3)o1	2-[5-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]propan-2-ol
CCCNC1(c2nc(C(C)(C)C)cs2)CCC(OC)CC1	1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-N-propylcyclohexan-1-amine
CCOc1ccc(C2CCCN2CC(=O)N2CCCc3ccccc32)cc1	1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone
CCCCN1CC(Nc2ccc(C3c4[nH]c5ccc(F)cc5c4CC(C)N3CC(F)(F)CO)cc2)C1	3-[1-[4-[(1-butylazetidin-3-yl)amino]phenyl]-6-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol
CC1C(P)OC(CO)C1O	2-(hydroxymethyl)-4-methyl-5-phosphanyloxolan-3-ol
COC(=O)CN1CCc2ccc(NC(=O)c3ccc(C=NN4CCN(C)CC4)cc3)cc2C1	methyl 2-[7-[[4-[(4-methylpiperazin-1-yl)iminomethyl]benzoyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate
O=C(C1CCN(c2cc(Oc3ccccc3)ncn2)CC1)N1CCN(c2ccccn2)CC1	[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
Cc1cc(NS(=O)(=O)NC(=O)OC(C)C)ccc1C(=O)O	2-methyl-4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid
CCCN(CCC(=O)O)C1CCc2ccccc21	3-[2,3-dihydro-1H-inden-1-yl(propyl)amino]propanoic acid
C=CCC(NC(=O)OC(C)(C)C)c1nnc(-c2ccc(NC(=O)OC)cc2N)o1	tert-butyl N-[1-[5-[2-amino-4-(methoxycarbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]carbamate
O=c1[nH]c(=O)n(-c2cccnc2)c2cc(C(F)(F)F)ccc12	1-pyridin-3-yl-7-(trifluoromethyl)quinazoline-2,4-dione
O=C1c2ccccc2[NH+]2C(=O)N=C([O-])N=C2N1c1ccccc1	1,6-dioxo-5-phenyl-11H-[1,3,5]triazino[1,2-a]quinazolin-11-ium-3-olate
O=C(C[C@@H]1S/C(=N/Nc2ccccc2)NC1=O)Nc1cccc([N+](=O)[O-])c1	N-(3-nitrophenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CCNC(=NCc1ccccc1OC)NCCCOCC1CC1.I	1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
C/C=c1\c(=C/CC)ccc2c1ccc1ccc(-c3ccc4cc(N(C5=CCCCC5)c5ccc(-c6ccccc6)cc5)ccc4c3)cc12	N-(cyclohexen-1-yl)-6-[(7Z,8E)-8-ethylidene-7-propylidenephenanthren-3-yl]-N-(4-phenylphenyl)naphthalen-2-amine
C#Cc1cc(CN2CCNCC2)cc([B-](F)(F)F)c1C	[3-ethynyl-2-methyl-5-(piperazin-1-ylmethyl)phenyl]-trifluoroboranuide
COc1ccc(Cc2ccc(C)c(N)c2)cc1	5-[(4-methoxyphenyl)methyl]-2-methylaniline
CN1CCN(C(=O)Cc2cccc(Cn3nc(-c4nc(-c5ccc(OCF)cc5)no4)ccc3=O)c2)CC1	6-[3-[4-(fluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-2-[[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]methyl]pyridazin-3-one
COC1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(N[C@H]4CC[C@@H]4OC)c(C#N)cn2)CCC3)C1=O	N-[5-cyano-4-[[(1S,2S)-2-methoxycyclobutyl]amino]pyridin-2-yl]-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(C(=O)O)cc1	4-[[2-bromo-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]methyl]benzoic acid
COc1cccc(C=O)c1OCCN1CCCC[C@@H]1C	3-methoxy-2-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzaldehyde
CN(C)C=Nc1nc2nccc(-c3ccco3)n2n1	N'-[7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
CC(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)cc2)cc1	2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CC(=O)c1sc(Nc2ccccc2)c(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1N	5-acetyl-4-amino-2-anilino-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-carboxamide
CC1(C)c2cc(-c3ccc(P(c4ccccc4)c4ccccc4)cc3)ccc2-c2c1cc1c3c(cccc23)C2=C1NC1C=CC=CC1=N2	[4-(24,24-dimethyl-3,10-diazaheptacyclo[14.10.1.02,11.04,9.012,27.017,25.018,23]heptacosa-1(26),2(11),5,7,9,12,14,16(27),17(25),18(23),19,21-dodecaen-21-yl)phenyl]-diphenylphosphane
CC(CO)SC(c1cnn(C)c1)C(C)N	2-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol
CSCCNc1nc(NCCSC)c2ccccc2n1	2-N,4-N-bis(2-methylsulfanylethyl)quinazoline-2,4-diamine
Cn1c(=O)c(C=C2SC(=S)N(CCc3ccccc3)C2=O)c(N2CCOCC2)c2ccccc21	5-[(1-methyl-4-morpholin-4-yl-2-oxoquinolin-3-yl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CC1=C(Nc2nc3cc(F)c(C)cc3n3cncc23)C=CCC1	7-fluoro-8-methyl-N-(2-methylcyclohexa-1,5-dien-1-yl)imidazo[1,5-a]quinoxalin-4-amine
CCCc1ccc(-c2ccncc2C#N)cc1	4-(4-propylphenyl)pyridine-3-carbonitrile
Cc1c(Br)ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cccc(C(=O)O)c2)C3=O)c1C	3-[6-(4-bromo-2,3-dimethylanilino)-5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl]benzoic acid
CN(C)C(=O)c1ccc2oc3c(c2c1)CC(Nc1ccn[nH]1)CC3	N,N-dimethyl-8-(1H-pyrazol-5-ylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxamide
COC(=O)CCCCc1ccc(C(O)c2ccccc2)cc1	methyl 5-[4-[hydroxy(phenyl)methyl]phenyl]pentanoate
CCCCCNC(CF)C(O)c1ccc(S(C)(=O)=O)cc1	3-fluoro-1-(4-methylsulfonylphenyl)-2-(pentylamino)propan-1-ol
C=CC(=O)NC(C)(C)C(=O)CCCCC(=O)O	7-methyl-6-oxo-7-(prop-2-enoylamino)octanoic acid
CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)NC(C)c1ccccc1	[2-oxo-2-(1-phenylethylamino)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CNC(C)C(=O)Nc1cc(-c2cccc3c2c(C)nn3C)cc(NC(=O)c2ccc(Cl)cn2)n1	5-chloro-N-[4-(1,3-dimethylindazol-4-yl)-6-[2-(methylamino)propanoylamino]pyridin-2-yl]pyridine-2-carboxamide
CCCC(CC)(CC1(CC)OCCCO1)O[Si](CC)(CC)OCC	ethoxy-diethyl-[3-[(2-ethyl-1,3-dioxan-2-yl)methyl]hexan-3-yloxy]silane
Cc1cn(C2CCNC2)c(=O)c2ccc(-c3cc4cn(C)nc4c(F)c3O)nc12	2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-8-methyl-6-pyrrolidin-3-yl-1,6-naphthyridin-5-one
COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)c2cccc(OCC(=O)O)c2)C(=O)C[C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1	2-[3-[[(2S)-3-(3-cyanophenyl)-1-oxo-1-[[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-1-(4-methoxyphenyl)-2-oxo-4-propan-2-ylhexyl]amino]propan-2-yl]carbamoyl]phenoxy]acetic acid
NNc1ncc(F)c(OCCC(F)(F)F)n1	[5-fluoro-4-(3,3,3-trifluoropropoxy)pyrimidin-2-yl]hydrazine
CN(Cc1cnc(Cl)s1)c1ccccc1	N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylaniline
CC(C)=CCC[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C	(1S)-1-[(5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methylhex-4-en-1-ol
CC(C)C(CCN)CCc1nc(CC(F)(F)F)no1	4-methyl-3-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
COc1cc(C)c(-c2cc(N)n[nH]2)c(Cl)c1O	3-(3-amino-1H-pyrazol-5-yl)-2-chloro-6-methoxy-4-methylphenol
[3H]OB([3H])P([3H])[3H]	ditritio-[tritio(tritiooxy)boranyl]phosphane
CSSC1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N[C@@H]2CSCN2C1=O	(6S,9S,12S,15S,18S,21S,24S,27S,30R,33S,35S)-12,18-bis(4-aminobutyl)-30-benzyl-27,33-bis(1H-imidazol-5-ylmethyl)-6,24-bis(1H-indol-3-ylmethyl)-9,15,21-trimethyl-3-(methyldisulfanyl)-37-thia-1,4,7,10,13,16,19,22,25,28,31,34-dodecazabicyclo[33.3.0]octatriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
Cc1cc(C)c(S(=O)(=O)Oc2nc(N)nc(C)c2Cc2ccc(OCCCOS(C)(=O)=O)cc2C)c(C)c1	[2-amino-6-methyl-5-[[2-methyl-4-(3-methylsulfonyloxypropoxy)phenyl]methyl]pyrimidin-4-yl] 2,4,6-trimethylbenzenesulfonate
CC(=O)NC1=Nc2ccc(C(C)(C)C)cc2C1.CC(=O)O.CC(C)(C)C(=O)NO.CC(C)(C)C(N)=O.CC(C)(C)C=C(F)F.CC(C)(C)c1cc(=O)[nH][nH]1.CC(C)(C)c1cc(=O)[nH]o1.CC(C)(C)c1cc(=O)[nH]s1.CC(C)(C)c1cc(F)n[nH]1.CC(C)(C)c1ccc2c(c1)CC(N)=N2.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nn[nH]n1.CNC(=O)/C=C/C(C)(C)C.CNC(=O)C(C)(C)C.COC(=O)C(C)(C)C.Cc1cc(C(C)(C)C)n[nH]1.Cn1[nH]c(=O)cc1C(C)(C)C.[C-]#[N+]CC(C)(C)C	acetic acid;5-tert-butyl-1,2-dihydropyrazol-3-one;5-tert-butyl-3-fluoro-1H-pyrazole;5-tert-butyl-3H-indol-2-amine;N-(5-tert-butyl-3H-indol-2-yl)acetamide;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-2-methyl-1H-pyrazol-5-one;5-tert-butyl-1,2-oxazol-3-one;5-tert-butyl-2H-tetrazole;5-tert-butyl-1,2-thiazol-3-one;5-tert-butyl-1H-1,2,4-triazole;1,1-difluoro-3,3-dimethylbut-1-ene;2,2-dimethylpropanamide;N-hydroxy-2,2-dimethylpropanamide;1-isocyano-2,2-dimethylpropane;methyl 2,2-dimethylpropanoate;(E)-N,4,4-trimethylpent-2-enamide;N,2,2-trimethylpropanamide
COc1cccc(/C=C/C(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1	1-methoxy-3-[(E)-3-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylprop-1-enyl]benzene
CCCCCCOc1ccc(C#CC2CCC(c3ccc(C4CCC(C)OC4)c(F)c3F)CC2)c(F)c1F	5-[4-[4-[2-(2,3-difluoro-4-hexoxyphenyl)ethynyl]cyclohexyl]-2,3-difluorophenyl]-2-methyloxane
Nc1cc(S(=O)(=O)NC2CCCCCC2O)c(F)cc1Br	5-amino-4-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzenesulfonamide
CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)Cc1c(C)n[nH]c1C	N-[(1S,2S)-1-(2-chlorophenyl)-1-methoxypropan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
COc1cncc(C(NN)c2ccc(Cl)cc2)c1	[(4-chlorophenyl)-(5-methoxypyridin-3-yl)methyl]hydrazine
c1cc(-c2nccc3ccccc23)cc(-n2c3ccccc3c3ccc(-c4cccc5cccnc45)cc32)c1	9-(3-isoquinolin-1-ylphenyl)-2-quinolin-8-ylcarbazole
Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(C)cc(C)c3)n2)cc1	N-(3,5-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
C=CC[Si](C)(CC)CN(C)C	1-(ethyl-methyl-prop-2-enylsilyl)-N,N-dimethylmethanamine
CCc1ccc([C@@H]2COCCN2Cc2nccc(OC)c2OC)o1	(3S)-4-[(3,4-dimethoxypyridin-2-yl)methyl]-3-(5-ethylfuran-2-yl)morpholine
COC(CNC(=O)c1cccc(NC(C)=O)c1)C(=O)O	3-[(3-acetamidobenzoyl)amino]-2-methoxypropanoic acid
COC(=O)CN(Cc1ccccc1Cl)Cn1nc(C(C)N(C)C)n(-c2ccc(F)cc2)c1=S	methyl 2-[(2-chlorophenyl)methyl-[[3-[1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]acetate
[NH-]c1ccc(Oc2ccc(C(F)(F)F)cc2)nc1.c1cc2cccc3ccccc3c-2c1	benzo[e]azulene;[6-[4-(trifluoromethyl)phenoxy]pyridin-3-yl]azanide
C=C/C=C(/CC=C)c1ccc2cc(C)cc(-c3ccccc3)c2c1	7-[(3Z)-hepta-1,3,6-trien-4-yl]-3-methyl-1-phenylnaphthalene
O=C(Nc1ccc(C(=O)O)nc1)NC1CCSC1	5-(thiolan-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CNCc1ccc(Br)cc1Oc1cc(C)ccc1[N+](=O)[O-]	1-[4-bromo-2-(5-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine
CCOC(=O)C1CCCN(C(=O)CN(C)C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)C1	ethyl 1-[2-[methyl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]acetyl]piperidine-3-carboxylate
C[C@H](NC(=O)OC(C)(C)C)c1nc(N2CCCC[C@@H]2C)no1	tert-butyl N-[(1S)-1-[3-[(2S)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate
COc1cc(C)cc2c(CCO)cn(C)c12	2-(7-methoxy-1,5-dimethylindol-3-yl)ethanol
Fc1ccc(NCc2ccc(I)cc2)cc1F	3,4-difluoro-N-[(4-iodophenyl)methyl]aniline
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1ccccc1C#N	[2-(2-cyanoanilino)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
C=C(NCCOC)c1cccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(C(=O)CCCN5CCCCC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)ccc2C1.CCCc1ccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)cc1.CCNc1cccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.COc1ccc(Nc2cc(Cc3ccc4[nH]c(C)cc4c3)ccn2)cn1.Cc1cc2cc(Nc3nccc(Oc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1	2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]pyridin-2-yl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine
CN(C)C(=O)Cc1cccc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)c1	(1S,3R)-3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
Cc1cc(C)n(-c2nc(C(=O)O)nc3ccccc23)n1	4-(3,5-dimethylpyrazol-1-yl)quinazoline-2-carboxylic acid
O=C(O)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)c1ccccc1	(3R)-3-[[(3R)-1-benzylsulfonylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CCOc1cc(N)ccc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O	4-amino-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CCC(C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)CC3CCN(C(C)=O)CC3)cc1)C2c1ccc(Cl)cc1	2-[4-[(1-acetylpiperidin-4-yl)methyl-methylamino]phenyl]-7-butan-2-yloxy-1-(4-chlorophenyl)-6-methoxy-1,4-dihydroisoquinolin-3-one
CC1CCC(N)C(SCc2ccc(Cl)cc2)C1	2-[(4-chlorophenyl)methylsulfanyl]-4-methylcyclohexan-1-amine
COCCCOc1ccnc(CS(=O)c2nc3ccccc3n2COC)c1C	1-(methoxymethyl)-2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]benzimidazole
CCCOc1ncccc1CNC(=NC)NC(C)CCS(C)(=O)=O	2-methyl-1-(4-methylsulfonylbutan-2-yl)-3-[(2-propoxypyridin-3-yl)methyl]guanidine
COc1cc(OC)cc(-c2cc(CCCO)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)c1	(5E)-3-cyclohexyl-5-[[5-(3,5-dimethoxyphenyl)-3-(3-hydroxypropyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CCOC(=O)C(C(=O)OCC)[C@H]1C(c2ccc(Cl)cc2)=NN(c2ccccc2)[C@@H]1c1ccccc1	diethyl 2-[(3S,4R)-5-(4-chlorophenyl)-2,3-diphenyl-3,4-dihydropyrazol-4-yl]propanedioate
CS(=O)(=O)Cc1cccc(C#Cc2cc(C(=O)Nc3cc(F)c(=O)n(CC(F)F)c3)sc2Cl)c1	5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-4-[2-[3-(methylsulfonylmethyl)phenyl]ethynyl]thiophene-2-carboxamide

CC(C)C(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C(N)=O)cc1

N-[1-(4-carbamoylphenyl)-2-methylpropyl]-4-phenylbenzamide

CCC(C)C1NC(=O)CCN(c2ccc(F)c(Cl)c2)C1=O

3-butan-2-yl-1-(3-chloro-4-fluorophenyl)-1,4-diazepane-2,5-dione

CCOCC(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1

[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] 2-ethoxyacetate

Clc1cccc(-c2ccccc2-c2cccc3c2-c2ccccc2C32c3ccccc3-c3cc4ccccc4cc32)c1

4'-[2-(3-chlorophenyl)phenyl]spiro[benzo[b]fluorene-11,9'-fluorene]

O=C(O)C#Cc1cc2cc(Cl)ccc2o1

3-(5-chloro-1-benzofuran-2-yl)prop-2-ynoic acid

N.N.O=[N+]([O-])O

azane;nitric acid

CNC(c1ccc(Br)c(Cl)c1F)C(C)(C)N(C)C

1-(4-bromo-3-chloro-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine

COc1ccc(/C=N\NC(=O)C[NH+]2CC[NH+](Cc3ccccc3Cl)CC2)cc1

2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide

Clc1ccc(CCc2ccccc2)cc1.N

azane;1-chloro-4-(2-phenylethyl)benzene

CN(c1ncnc2cc([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)ccc12)C1CCCC1

[[(2R,3S,4R,5S)-5-[4-[cyclopentyl(methyl)amino]quinazolin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid

CCC(CC)(CN)CS(=O)(=O)F

2-(aminomethyl)-2-ethylbutane-1-sulfonyl fluoride

N/C(CCCCCCC(=O)Nc1ccccc1)=N/O

(8E)-8-amino-8-hydroxyimino-N-phenyloctanamide

N#CC1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)C1c1ccc(Br)s1

2-amino-1-(4-bromophenyl)-4-(5-bromothiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile

CC1(CS(=O)(=O)c2ccc(OCC(=CF)CN)cc2)CCN(C(=O)C2(C(F)(F)F)CC2)CC1

[4-[[4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]sulfonylmethyl]-4-methylpiperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone

c1ccc2c(c1)CCC(NCc1ccc3c(c1)CCO3)C2

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

Cc1ccc(NC(=O)CCCN)cc1NC(=O)C1CCCCC1

N-[5-(4-aminobutanoylamino)-2-methylphenyl]cyclohexanecarboxamide

Cc1ccc(C2=CC(O)Nc3c(-c4ccc(Cl)c(Cl)c4)c(C(F)(F)F)nn32)c(O)c1

3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrimidin-5-ol

CC1CC(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)=CC=N1

(2,3,4,5,6-pentafluorophenyl) 2-methyl-2,3-dihydropyridine-4-carboxylate

O=c1c2cc(-c3cccc(Br)c3)nn2ccn1CC(O)c1ccc(F)cc1

2-(3-bromophenyl)-5-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one

CC(C)(O)c1nnc(-c2cnc3c(c2Cl)C=CC3)o1

2-[5-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]propan-2-ol

CCCNC1(c2nc(C(C)(C)C)cs2)CCC(OC)CC1

1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-N-propylcyclohexan-1-amine

CCOc1ccc(C2CCCN2CC(=O)N2CCCc3ccccc32)cc1

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone

CCCCN1CC(Nc2ccc(C3c4[nH]c5ccc(F)cc5c4CC(C)N3CC(F)(F)CO)cc2)C1

3-[1-[4-[(1-butylazetidin-3-yl)amino]phenyl]-6-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol

CC1C(P)OC(CO)C1O

2-(hydroxymethyl)-4-methyl-5-phosphanyloxolan-3-ol

COC(=O)CN1CCc2ccc(NC(=O)c3ccc(C=NN4CCN(C)CC4)cc3)cc2C1

methyl 2-[7-[[4-[(4-methylpiperazin-1-yl)iminomethyl]benzoyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate

O=C(C1CCN(c2cc(Oc3ccccc3)ncn2)CC1)N1CCN(c2ccccn2)CC1

[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Cc1cc(NS(=O)(=O)NC(=O)OC(C)C)ccc1C(=O)O

2-methyl-4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid

CCCN(CCC(=O)O)C1CCc2ccccc21

3-[2,3-dihydro-1H-inden-1-yl(propyl)amino]propanoic acid

C=CCC(NC(=O)OC(C)(C)C)c1nnc(-c2ccc(NC(=O)OC)cc2N)o1

tert-butyl N-[1-[5-[2-amino-4-(methoxycarbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]carbamate

O=c1[nH]c(=O)n(-c2cccnc2)c2cc(C(F)(F)F)ccc12

1-pyridin-3-yl-7-(trifluoromethyl)quinazoline-2,4-dione

O=C1c2ccccc2[NH+]2C(=O)N=C([O-])N=C2N1c1ccccc1

1,6-dioxo-5-phenyl-11H-[1,3,5]triazino[1,2-a]quinazolin-11-ium-3-olate

O=C(C[C@@H]1S/C(=N/Nc2ccccc2)NC1=O)Nc1cccc([N+](=O)[O-])c1

N-(3-nitrophenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide

CCNC(=NCc1ccccc1OC)NCCCOCC1CC1.I

1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide

C/C=c1\c(=C/CC)ccc2c1ccc1ccc(-c3ccc4cc(N(C5=CCCCC5)c5ccc(-c6ccccc6)cc5)ccc4c3)cc12

N-(cyclohexen-1-yl)-6-[(7Z,8E)-8-ethylidene-7-propylidenephenanthren-3-yl]-N-(4-phenylphenyl)naphthalen-2-amine

C#Cc1cc(CN2CCNCC2)cc([B-](F)(F)F)c1C

[3-ethynyl-2-methyl-5-(piperazin-1-ylmethyl)phenyl]-trifluoroboranuide

COc1ccc(Cc2ccc(C)c(N)c2)cc1

5-[(4-methoxyphenyl)methyl]-2-methylaniline

CN1CCN(C(=O)Cc2cccc(Cn3nc(-c4nc(-c5ccc(OCF)cc5)no4)ccc3=O)c2)CC1

6-[3-[4-(fluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-2-[[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]methyl]pyridazin-3-one

COC1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(N[C@H]4CC[C@@H]4OC)c(C#N)cn2)CCC3)C1=O

N-[5-cyano-4-[[(1S,2S)-2-methoxycyclobutyl]amino]pyridin-2-yl]-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(C(=O)O)cc1

4-[[2-bromo-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]methyl]benzoic acid

COc1cccc(C=O)c1OCCN1CCCC[C@@H]1C

3-methoxy-2-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzaldehyde

CN(C)C=Nc1nc2nccc(-c3ccco3)n2n1

N'-[7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide

CC(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)cc2)cc1

2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(4-propan-2-ylphenyl)methyl]acetamide

CC(=O)c1sc(Nc2ccccc2)c(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1N

5-acetyl-4-amino-2-anilino-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-carboxamide

CC1(C)c2cc(-c3ccc(P(c4ccccc4)c4ccccc4)cc3)ccc2-c2c1cc1c3c(cccc23)C2=C1NC1C=CC=CC1=N2

[4-(24,24-dimethyl-3,10-diazaheptacyclo[14.10.1.02,11.04,9.012,27.017,25.018,23]heptacosa-1(26),2(11),5,7,9,12,14,16(27),17(25),18(23),19,21-dodecaen-21-yl)phenyl]-diphenylphosphane

CC(CO)SC(c1cnn(C)c1)C(C)N

2-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol

CSCCNc1nc(NCCSC)c2ccccc2n1

2-N,4-N-bis(2-methylsulfanylethyl)quinazoline-2,4-diamine

Cn1c(=O)c(C=C2SC(=S)N(CCc3ccccc3)C2=O)c(N2CCOCC2)c2ccccc21

5-[(1-methyl-4-morpholin-4-yl-2-oxoquinolin-3-yl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

CC1=C(Nc2nc3cc(F)c(C)cc3n3cncc23)C=CCC1

7-fluoro-8-methyl-N-(2-methylcyclohexa-1,5-dien-1-yl)imidazo[1,5-a]quinoxalin-4-amine

CCCc1ccc(-c2ccncc2C#N)cc1

4-(4-propylphenyl)pyridine-3-carbonitrile

Cc1c(Br)ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cccc(C(=O)O)c2)C3=O)c1C

3-[6-(4-bromo-2,3-dimethylanilino)-5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl]benzoic acid

CN(C)C(=O)c1ccc2oc3c(c2c1)CC(Nc1ccn[nH]1)CC3

N,N-dimethyl-8-(1H-pyrazol-5-ylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxamide

COC(=O)CCCCc1ccc(C(O)c2ccccc2)cc1

methyl 5-[4-[hydroxy(phenyl)methyl]phenyl]pentanoate

CCCCCNC(CF)C(O)c1ccc(S(C)(=O)=O)cc1

3-fluoro-1-(4-methylsulfonylphenyl)-2-(pentylamino)propan-1-ol

C=CC(=O)NC(C)(C)C(=O)CCCCC(=O)O

7-methyl-6-oxo-7-(prop-2-enoylamino)octanoic acid

CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)NC(C)c1ccccc1

[2-oxo-2-(1-phenylethylamino)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate

CNC(C)C(=O)Nc1cc(-c2cccc3c2c(C)nn3C)cc(NC(=O)c2ccc(Cl)cn2)n1

5-chloro-N-[4-(1,3-dimethylindazol-4-yl)-6-[2-(methylamino)propanoylamino]pyridin-2-yl]pyridine-2-carboxamide

CCCC(CC)(CC1(CC)OCCCO1)O[Si](CC)(CC)OCC

ethoxy-diethyl-[3-[(2-ethyl-1,3-dioxan-2-yl)methyl]hexan-3-yloxy]silane

Cc1cn(C2CCNC2)c(=O)c2ccc(-c3cc4cn(C)nc4c(F)c3O)nc12

2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-8-methyl-6-pyrrolidin-3-yl-1,6-naphthyridin-5-one

COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)c2cccc(OCC(=O)O)c2)C(=O)C[C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1

2-[3-[[(2S)-3-(3-cyanophenyl)-1-oxo-1-[[(1S,4S,5S)-6,6,6-trifluoro-5-hydroxy-1-(4-methoxyphenyl)-2-oxo-4-propan-2-ylhexyl]amino]propan-2-yl]carbamoyl]phenoxy]acetic acid

NNc1ncc(F)c(OCCC(F)(F)F)n1

[5-fluoro-4-(3,3,3-trifluoropropoxy)pyrimidin-2-yl]hydrazine

CN(Cc1cnc(Cl)s1)c1ccccc1

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylaniline

CC(C)=CCC[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C

(1S)-1-[(5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methylhex-4-en-1-ol

CC(C)C(CCN)CCc1nc(CC(F)(F)F)no1

4-methyl-3-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine

COc1cc(C)c(-c2cc(N)n[nH]2)c(Cl)c1O

3-(3-amino-1H-pyrazol-5-yl)-2-chloro-6-methoxy-4-methylphenol

[3H]OB([3H])P([3H])[3H]

ditritio-[tritio(tritiooxy)boranyl]phosphane

CSSC1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N[C@@H]2CSCN2C1=O

(6S,9S,12S,15S,18S,21S,24S,27S,30R,33S,35S)-12,18-bis(4-aminobutyl)-30-benzyl-27,33-bis(1H-imidazol-5-ylmethyl)-6,24-bis(1H-indol-3-ylmethyl)-9,15,21-trimethyl-3-(methyldisulfanyl)-37-thia-1,4,7,10,13,16,19,22,25,28,31,34-dodecazabicyclo[33.3.0]octatriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Cc1cc(C)c(S(=O)(=O)Oc2nc(N)nc(C)c2Cc2ccc(OCCCOS(C)(=O)=O)cc2C)c(C)c1

[2-amino-6-methyl-5-[[2-methyl-4-(3-methylsulfonyloxypropoxy)phenyl]methyl]pyrimidin-4-yl] 2,4,6-trimethylbenzenesulfonate

CC(=O)NC1=Nc2ccc(C(C)(C)C)cc2C1.CC(=O)O.CC(C)(C)C(=O)NO.CC(C)(C)C(N)=O.CC(C)(C)C=C(F)F.CC(C)(C)c1cc(=O)[nH][nH]1.CC(C)(C)c1cc(=O)[nH]o1.CC(C)(C)c1cc(=O)[nH]s1.CC(C)(C)c1cc(F)n[nH]1.CC(C)(C)c1ccc2c(c1)CC(N)=N2.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nn[nH]n1.CNC(=O)/C=C/C(C)(C)C.CNC(=O)C(C)(C)C.COC(=O)C(C)(C)C.Cc1cc(C(C)(C)C)n[nH]1.Cn1[nH]c(=O)cc1C(C)(C)C.[C-]#[N+]CC(C)(C)C

acetic acid;5-tert-butyl-1,2-dihydropyrazol-3-one;5-tert-butyl-3-fluoro-1H-pyrazole;5-tert-butyl-3H-indol-2-amine;N-(5-tert-butyl-3H-indol-2-yl)acetamide;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-2-methyl-1H-pyrazol-5-one;5-tert-butyl-1,2-oxazol-3-one;5-tert-butyl-2H-tetrazole;5-tert-butyl-1,2-thiazol-3-one;5-tert-butyl-1H-1,2,4-triazole;1,1-difluoro-3,3-dimethylbut-1-ene;2,2-dimethylpropanamide;N-hydroxy-2,2-dimethylpropanamide;1-isocyano-2,2-dimethylpropane;methyl 2,2-dimethylpropanoate;(E)-N,4,4-trimethylpent-2-enamide;N,2,2-trimethylpropanamide

COc1cccc(/C=C/C(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1

1-methoxy-3-[(E)-3-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylprop-1-enyl]benzene

CCCCCCOc1ccc(C#CC2CCC(c3ccc(C4CCC(C)OC4)c(F)c3F)CC2)c(F)c1F

5-[4-[4-[2-(2,3-difluoro-4-hexoxyphenyl)ethynyl]cyclohexyl]-2,3-difluorophenyl]-2-methyloxane

Nc1cc(S(=O)(=O)NC2CCCCCC2O)c(F)cc1Br

5-amino-4-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzenesulfonamide

CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)Cc1c(C)n[nH]c1C

N-[(1S,2S)-1-(2-chlorophenyl)-1-methoxypropan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

COc1cncc(C(NN)c2ccc(Cl)cc2)c1

[(4-chlorophenyl)-(5-methoxypyridin-3-yl)methyl]hydrazine

c1cc(-c2nccc3ccccc23)cc(-n2c3ccccc3c3ccc(-c4cccc5cccnc45)cc32)c1

9-(3-isoquinolin-1-ylphenyl)-2-quinolin-8-ylcarbazole

Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(C)cc(C)c3)n2)cc1

N-(3,5-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

C=CC[Si](C)(CC)CN(C)C

1-(ethyl-methyl-prop-2-enylsilyl)-N,N-dimethylmethanamine

CCc1ccc([C@@H]2COCCN2Cc2nccc(OC)c2OC)o1

(3S)-4-[(3,4-dimethoxypyridin-2-yl)methyl]-3-(5-ethylfuran-2-yl)morpholine

COC(CNC(=O)c1cccc(NC(C)=O)c1)C(=O)O

3-[(3-acetamidobenzoyl)amino]-2-methoxypropanoic acid

COC(=O)CN(Cc1ccccc1Cl)Cn1nc(C(C)N(C)C)n(-c2ccc(F)cc2)c1=S

methyl 2-[(2-chlorophenyl)methyl-[[3-[1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]acetate

[NH-]c1ccc(Oc2ccc(C(F)(F)F)cc2)nc1.c1cc2cccc3ccccc3c-2c1

benzo[e]azulene;[6-[4-(trifluoromethyl)phenoxy]pyridin-3-yl]azanide

C=C/C=C(/CC=C)c1ccc2cc(C)cc(-c3ccccc3)c2c1

7-[(3Z)-hepta-1,3,6-trien-4-yl]-3-methyl-1-phenylnaphthalene

O=C(Nc1ccc(C(=O)O)nc1)NC1CCSC1

5-(thiolan-3-ylcarbamoylamino)pyridine-2-carboxylic acid

CNCc1ccc(Br)cc1Oc1cc(C)ccc1[N+](=O)[O-]

1-[4-bromo-2-(5-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine

CCOC(=O)C1CCCN(C(=O)CN(C)C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)C1

ethyl 1-[2-[methyl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]acetyl]piperidine-3-carboxylate

C[C@H](NC(=O)OC(C)(C)C)c1nc(N2CCCC[C@@H]2C)no1

tert-butyl N-[(1S)-1-[3-[(2S)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate

COc1cc(C)cc2c(CCO)cn(C)c12

2-(7-methoxy-1,5-dimethylindol-3-yl)ethanol

Fc1ccc(NCc2ccc(I)cc2)cc1F

3,4-difluoro-N-[(4-iodophenyl)methyl]aniline

CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1ccccc1C#N

[2-(2-cyanoanilino)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

C=C(NCCOC)c1cccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(C(=O)CCCN5CCCCC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)ccc2C1.CCCc1ccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)cc1.CCNc1cccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.COc1ccc(Nc2cc(Cc3ccc4[nH]c(C)cc4c3)ccn2)cn1.Cc1cc2cc(Nc3nccc(Oc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1

2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]pyridin-2-yl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine

CN(C)C(=O)Cc1cccc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)c1

(1S,3R)-3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

Cc1cc(C)n(-c2nc(C(=O)O)nc3ccccc23)n1

4-(3,5-dimethylpyrazol-1-yl)quinazoline-2-carboxylic acid

O=C(O)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)c1ccccc1

(3R)-3-[[(3R)-1-benzylsulfonylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid

CCOc1cc(N)ccc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O

4-amino-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate

CCC(C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)CC3CCN(C(C)=O)CC3)cc1)C2c1ccc(Cl)cc1

2-[4-[(1-acetylpiperidin-4-yl)methyl-methylamino]phenyl]-7-butan-2-yloxy-1-(4-chlorophenyl)-6-methoxy-1,4-dihydroisoquinolin-3-one

CC1CCC(N)C(SCc2ccc(Cl)cc2)C1

2-[(4-chlorophenyl)methylsulfanyl]-4-methylcyclohexan-1-amine

COCCCOc1ccnc(CS(=O)c2nc3ccccc3n2COC)c1C

1-(methoxymethyl)-2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]benzimidazole

CCCOc1ncccc1CNC(=NC)NC(C)CCS(C)(=O)=O

2-methyl-1-(4-methylsulfonylbutan-2-yl)-3-[(2-propoxypyridin-3-yl)methyl]guanidine

COc1cc(OC)cc(-c2cc(CCCO)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)c1

(5E)-3-cyclohexyl-5-[[5-(3,5-dimethoxyphenyl)-3-(3-hydroxypropyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

CCOC(=O)C(C(=O)OCC)[C@H]1C(c2ccc(Cl)cc2)=NN(c2ccccc2)[C@@H]1c1ccccc1

diethyl 2-[(3S,4R)-5-(4-chlorophenyl)-2,3-diphenyl-3,4-dihydropyrazol-4-yl]propanedioate

CS(=O)(=O)Cc1cccc(C#Cc2cc(C(=O)Nc3cc(F)c(=O)n(CC(F)F)c3)sc2Cl)c1

5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-4-[2-[3-(methylsulfonylmethyl)phenyl]ethynyl]thiophene-2-carboxamide