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

SMILES stringlengths 2 1.33k	IUPAC stringlengths 6 1.82k
CCNC(=NCCc1ccc(O)c(OC)c1)NC1CCN(CC(C)C)CC1	1-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine
O=C(NN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1[N+](=O)[O-]	N-[(3aR,5S,6S,7aR)-5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-nitrobenzamide
CC(=O)Oc1cccc(C(=O)N[C@@H](Cc2cccc(C)c2)C(=O)O)c1	(2S)-2-[(3-acetyloxybenzoyl)amino]-3-(3-methylphenyl)propanoic acid
Cl[Pd]Cl.c1ccc([Sb](C[Sb](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([Sb](C[Sb](c2ccccc2)c2ccccc2)c2ccccc2)cc1	dichloropalladium;diphenylstibanylmethyl(diphenyl)stibane
CN1CC[C@]23c4c5ccc(CO)c4O[C@H]2C(OC(=O)CC(O)C(=O)O)=CC[C@@]3(O)[C@H]1C5	4-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-hydroxy-4-oxobutanoic acid
COC(=O)[C@H](Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)cc1)NC(=O)c1c(F)cccc1F	methyl (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]propanoate
CCC(C)C(C(=O)NC(Cc1ccccc1)C(O)CN(COC(=O)c1ccccc1)NC(=O)C(NC(=O)OC)C(C)(C)C)N1CCN(Cc2cccc(C)n2)C1=O	[[2-hydroxy-3-[[3-methyl-2-[3-[(6-methylpyridin-2-yl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]-[[2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]amino]methyl benzoate
CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(CCCc1ccccc1)CC2	N-[(1S)-2-methyl-1-[7-(3-phenylpropyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]propyl]methanesulfonamide
NCc1cccc(NN(C(=O)Nc2ccc(N3CCOCC3=O)c(C(F)(F)F)c2)c2ccccc2)c1	1-[3-(aminomethyl)anilino]-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1-phenylurea
CCn1nc(C)cc1CC(=O)C(C)(C)N(C)C	3-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one
CC(C)OC(=N)c1ccccc1.Cl	propan-2-yl benzenecarboximidate;hydrochloride
O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc(O)c3cc(O[C@@H]4O[C@H](COC(=O)CC(=O)OC(C(=O)O)C(O)C(=O)O)[C@H](O)[C@@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4OC(=O)/C=C/c4ccc(O)c(O)c4)c(-c4cc(O)c(O)c(O[C@@H]5O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]5O)c4)[o+]c3c2)[C@H](O)[C@H](O)[C@@H]1O	2-[3-[[(2R,3R,4R,5R,6S)-6-[2-[3-[(2S,3R,4R,5R,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyphenyl]-7-[(2S,3R,4R,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxychromenylium-3-yl]oxy-5-[(2S,3R,4R,5S,6R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-3-oxopropanoyl]oxy-3-hydroxybutanedioic acid
N#CC(=Cc1cnn(Cc2ccccc2Cl)c1)c1nc2ccccc2s1	2-(1,3-benzothiazol-2-yl)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]prop-2-enenitrile
NCc1ncnn1Cc1ccc(Br)cc1F	[2-[(4-bromo-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
FC(F)(F)Oc1ccc(OC2CC2)c(CN[C@@H]2CC[C@H]3CC[C@]2(c2ccccc2)N3)c1	(1R,2R,5S)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-1-phenyl-8-azabicyclo[3.2.1]octan-2-amine
COC(CN)C(=O)N(C)Cc1cccs1	3-amino-2-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CC(C)c1noc(CCC(=O)N2CCCC(c3ccccc3)CC2)n1	1-(4-phenylazepan-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
COCCN(C)CCn1cc(-c2cnc3ccc(NC(=O)NC4CCCC4)nc3c2)cn1	1-cyclopentyl-3-[7-[1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
CN(c1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1)S(C)(=O)=O	2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CC(C)CC[n+]1csc2ccc(Cl)cc21.CC=C1Sc2ccc(Cl)cc2N1CCC(C)S(=O)(=O)O	4-(5-chloro-2-ethylidene-1,3-benzothiazol-3-yl)butane-2-sulfonic acid;5-chloro-3-(3-methylbutyl)-1,3-benzothiazol-3-ium
CCC(C)COC(=O)/C=C/c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)c(OC)c1	2-methylbutyl (E)-3-[3-methoxy-4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate
COc1ccc2c(c1)nc(-c1ccccc1C)n2Cc1ccccc1F	1-[(2-fluorophenyl)methyl]-5-methoxy-2-(2-methylphenyl)benzimidazole
CN(CCCl)c1nc2ccc([N+](=O)[O-])cc2[nH]1	N-(2-chloroethyl)-N-methyl-6-nitro-1H-benzimidazol-2-amine
CN(C)P1(=S)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O1	6-(6-aminopurin-9-yl)-2-(dimethylamino)-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
CCOC(=O)c1ccc(NC(=O)CC2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)cc1	ethyl 4-[[2-[6-(4-fluorophenyl)-2-oxo-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-12-yl]acetyl]amino]benzoate
CCCCC(N(Cc1ccccn1)Cc1ccccn1)C(N)(c1ccccn1)c1ccccn1	1,1-dipyridin-2-yl-2-N,2-N-bis(pyridin-2-ylmethyl)hexane-1,2-diamine
CC(C)(C)S(=O)(=O)NCCCCCNc1ccc(OC2CCCC2)cc1	N-[5-(4-cyclopentyloxyanilino)pentyl]-2-methylpropane-2-sulfonamide
CC(C)N(CCNC(=O)c1ccc(N)cc1)C(C)C.Cl	4-amino-N-[2-[di(propan-2-yl)amino]ethyl]benzamide;hydrochloride
CCCN(CCC)C(=O)c1csc(-c2cc3ccccc3n2C)n1	2-(1-methylindol-2-yl)-N,N-dipropyl-1,3-thiazole-4-carboxamide
OC1(CN2CCC3(CCCC3)CC2)CCCC1	1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclopentan-1-ol
C=C(C)[C@H]1CC[C@@](C)(O)[C@H]1CC1=C2O[C@@H](C(C)(C)O)C[C@@]2(C)C(=O)C(C(=O)[C@@H](C)CC)=C1O	(2R,3aR)-6-hydroxy-7-[[(1S,2R,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-2-(2-hydroxypropan-2-yl)-3a-methyl-5-[(2S)-2-methylbutanoyl]-2,3-dihydro-1-benzofuran-4-one
COC1c2ccccc2C(=O)N1C1CCCc2ccccc21	3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-isoindol-1-one
CC1CN(c2ncnc3ccc([N+](=O)[O-])cc23)C(C)CN1	4-(2,5-dimethylpiperazin-1-yl)-6-nitroquinazoline
COc1c(Cl)cc(C(C)CO)cc1OCC1CC1	2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propan-1-ol
CCOc1nccc2c(C(=O)c3c(F)cc(C(C)NC(=O)OC(C)(C)C)c(C)c3F)cccc12	tert-butyl N-[1-[4-(1-ethoxyisoquinoline-5-carbonyl)-3,5-difluoro-2-methylphenyl]ethyl]carbamate
C=C.C=CS/C(=C\C(C)CC)c1ccc(CNS)cc1.CC.CC(C)C	ethane;ethene;N-[[4-[(Z)-1-ethenylsulfanyl-3-methylpent-1-enyl]phenyl]methyl]thiohydroxylamine;2-methylpropane
[CH-]=C(COP)OC.[W].[W]	2-methoxyprop-2-enoxyphosphane;tungsten
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1	[2,6-dibromo-4-[(E)-[1-(2-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenyl] 4-chlorobenzenesulfonate
CCN(C1CCCCC1)S(=O)(=O)c1ccc(F)c(C#N)c1	3-cyano-N-cyclohexyl-N-ethyl-4-fluorobenzenesulfonamide
Nc1nc2ccc(Oc3cc(Cl)ccc3Cl)cc2s1	6-(2,5-dichlorophenoxy)-1,3-benzothiazol-2-amine
CC(C)(C)OC(=O)N[C@@H](CN1CC(Br)CC1=O)C(=O)O	(2S)-3-(4-bromo-2-oxopyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
O=C(CCc1cccs1)N1CCOC[C@@H]1c1ccn[nH]1	1-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CC(=O)Nc1ccc(NC(=O)c2c(C)nc3ccc(Cl)cn23)cc1	N-(4-acetamidophenyl)-6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxamide
O=C(O)C1CCCN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1	1-[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl]piperidine-3-carboxylic acid
CC(C)C(=O)N1CCCC1c1ccncc1	2-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-one
CC(C)c1sc(C(C)C)c2c1c1c(C(C)C)sc(C(C)C)c1c1c3c(C(C)C)sc(C(C)C)c3c3c(C(C)C)sc(C(C)C)c3c21	3,5,8,10,14,16,19,21-octa(propan-2-yl)-4,9,15,20-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1(12),2,5,7,10,13,16,18,21-nonaene
CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc2ccc(OC)cc2[nH]1	(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CN(CC1CC(O)C1)C(=O)Cn1cc(CN)nn1	2-[4-(aminomethyl)triazol-1-yl]-N-[(3-hydroxycyclobutyl)methyl]-N-methylacetamide
CCCOc1cc(C(=O)O)cc(N2CCCC2=O)c1	3-(2-oxopyrrolidin-1-yl)-5-propoxybenzoic acid
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OC3(C(=O)[O-])CC(O)C(CC(=O)CNC(=O)CCOCCCNC(=O)OCC4c5ccccc5-c5ccccc54)C(C(O)[C@H](O)CO)O3)[C@H](O)C2O)c(=O)n1.[Na+]	sodium;2-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-[3-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]propanoylamino]-2-oxopropyl]-4-hydroxy-6-[(2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
C=C[C@@]1(C)C[C@@H](n2ccc3c(Cl)ccc(F)c32)[C@@H]2OC(C)(C)O[C@@H]21	1-[(3aR,4R,6R,6aS)-4-ethenyl-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]-4-chloro-7-fluoroindole
CCCS(=O)(=O)N1CCCC1C(=O)OCC(=O)NCC1CCCCC1	[2-(cyclohexylmethylamino)-2-oxoethyl] 1-propylsulfonylpyrrolidine-2-carboxylate
Cc1cccc(Cc2nc(CN)co2)c1	[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]methanamine
Cc1cc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5cc(-c6[c-]cc(-c7ccccc7-c7cc(-c8ccccc8-c8c[c-]c(-c9cc(C)c(-c%10cccc%11c%10c%10ccccc%10n%11-c%10cccc(-c%11nc(-c%12ccccc%12)cc(-c%12ccccc%12)n%11)c%10)cn9)cc8)cc(-c8ccccc8-c8c[c-]c(-c9cc(C)c(-c%10cccc%11c%10c%10ccccc%10n%11-c%10cccc(-c%11nc(-c%12ccccc%12)cc(-c%12ccccc%12)n%11)c%10)cn9)cc8)c7)cc6)ncn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5cc(C)c(-c6cccc7c6c6ccccc6n7-c6cccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6)cn5)cc4)c3)cc2)ncc1-c1cccc2c1c1ccccc1n2-c1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.[Ir+3].[Ir+3]	4-[6-[4-[2-[3-[2-[4-[6-[4-[2-[3,5-bis[2-[4-[5-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-methylpyridin-2-yl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyrimidin-4-yl]benzene-5-id-1-yl]phenyl]-5-[2-[4-[5-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-methylpyridin-2-yl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-methylpyridin-3-yl]-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;iridium(3+)
CCC1CC2CCCC(C2)CC2OCC3(CCC4C[C@]3(C)C4O)[C@@H]12	(1'S,7R)-8-ethyl-1'-methylspiro[4-oxatricyclo[8.3.1.03,7]tetradecane-6,2'-bicyclo[3.1.1]heptane]-6'-ol
CC(O)OC1CCC2(C)[C@H]3C(=O)C=C4C5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)C3(C)CC[C@]23CC13C	(2S,5S,8S,14S,21S)-18-(1-hydroxyethoxy)-1,2,5,8,15,19-hexamethyl-13-oxohexacyclo[12.9.0.02,11.05,10.015,21.019,21]tricos-11-ene-8-carboxylic acid
CC(C)CC(CNC(=O)[C@@H]1C[C@]12CCOc1ccccc12)C(=O)O	4-methyl-2-[[[(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl]amino]methyl]pentanoic acid
CS(=O)(=O)Nc1cc(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)ccc1Cl	N-[6-(3-bromophenoxy)pyridin-3-yl]-4-chloro-3-(methanesulfonamido)benzamide
CCCCc1c(/C=C/C(=O)N[C@H](C)CCCc2cccnc2)cc(OC)c2ccccc12	(E)-3-(1-butyl-4-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide
CSc1ccccc1NC(=O)c1cccc(NC(C)=O)c1	3-acetamido-N-(2-methylsulfanylphenyl)benzamide
O=C(OCC1O[C@@H](n2c(=O)cc[nH]c2=O)C[C@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	[(3R,5R)-3-(4-chlorobenzoyl)oxy-5-(2,4-dioxo-1H-pyrimidin-3-yl)oxolan-2-yl]methyl 4-chlorobenzoate
N#CCc1cnc(-c2ccc(-n3cccc3NCC3(c4ncccc4F)CCC3)nc2)s1	2-[2-[6-[2-[[1-(3-fluoropyridin-2-yl)cyclobutyl]methylamino]pyrrol-1-yl]pyridin-3-yl]-1,3-thiazol-5-yl]acetonitrile
CC(=O)N1CCN(C(=O)c2cc(Nc3cccc(Cl)c3)ncn2)CC1	1-[4-[6-(3-chloroanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
ClCc1nnc([C@@H]2CCCOC2)o1	2-(chloromethyl)-5-[(3R)-oxan-3-yl]-1,3,4-oxadiazole
CNC[C@@H]1OCC(O)(O)c2cccc(F)c21	(1R)-8-fluoro-1-(methylaminomethyl)-1,3-dihydroisochromene-4,4-diol
Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)N/N=C/c3ccc(O)cc3O)c2c1	2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methylquinoline-4-carboxamide
CCCC[NH2+]Cc1ccc(SC)cc1	butyl-[(4-methylsulfanylphenyl)methyl]azanium
CO[P+]([S-])(OC)C(c1ccccc1)C(C#N)C#N	(2,2-dicyano-1-phenylethyl)-dimethoxy-sulfidophosphanium
CC(O)CC1CS(=O)(=O)c2ccccc21	1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol
CC(C)Cc1nc(-c2cccs2)sc1CNC(C)C	N-[[4-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
Cc1c(Cl)cccc1NC(=S)Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1	1-(3-chloro-2-methylphenyl)-3-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]thiourea
O=c1[nH]oc2cc(O)cc(O)c12	4,6-dihydroxy-1,2-benzoxazol-3-one
C[C@H]([NH2+]CC[C@H](c1ccccc1)c1ccco1)c1ccc(Cl)cc1	[(1S)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-3-phenylpropyl]azanium
O=C(NC1CC1)c1csc(CNCc2ccc(-c3ccccc3)cc2)n1	N-cyclopropyl-2-[[(4-phenylphenyl)methylamino]methyl]-1,3-thiazole-4-carboxamide
COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1	2-fluoro-5-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]benzamide
Cl.O=C(NCC[C@H]1CCCN1)c1ccccc1I	2-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide;hydrochloride
c1ccc(CCN(Cc2ccccc2)C2CCCCC2)cc1	N-benzyl-N-(2-phenylethyl)cyclohexanamine
Cc1cc(C)nc(NC(c2cccnc2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)n1	N-[3-[[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CCOC(=O)C=C(C)Nc1ccccc1OCc1ccccc1	ethyl 3-(2-phenylmethoxyanilino)but-2-enoate
CCCC(CCN)CCC(=O)N(CC(=O)OCC)C1CC1	ethyl 2-[4-(2-aminoethyl)heptanoyl-cyclopropylamino]acetate
CCCC(O)c1noc(CCOCC)n1	1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CSCC[C@H](NC(=O)NC1(C)CCCC1)C(=O)O	(2S)-2-[(1-methylcyclopentyl)carbamoylamino]-4-methylsulfanylbutanoic acid
O=C(NCC(=O)N1CCCC(n2cncn2)C1)c1ccc2c(c1)OCO2	N-[2-oxo-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide
COC(=O)c1ccc(C(F)F)c(CO)c1C#N	methyl 2-cyano-4-(difluoromethyl)-3-(hydroxymethyl)benzoate
CCCNC(=O)CN(C)C(=O)NC(C(=O)O)C(C)O	3-hydroxy-2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]butanoic acid
COc1ccc(Cn2c(O)c(C)c(C)c2SCC(=O)Nc2ccccn2)cc1	2-[5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrrol-2-yl]sulfanyl-N-pyridin-2-ylacetamide
C=C(C)CCN1CCC(N2CCOCC2)CC1	4-[1-(3-methylbut-3-enyl)piperidin-4-yl]morpholine
CCCSCCCC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F	4-propylsulfanyl-1,1-bis(trifluoromethylsulfonyl)butane
CCc1c(C(=O)N2CCCC(O)C2)cnn1Cc1ccccc1	(1-benzyl-5-ethylpyrazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone
CC(C)C(C)C(=O)c1ccc(F)cc1F	1-(2,4-difluorophenyl)-2,3-dimethylbutan-1-one
COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)COc4ccccc4)cc3)c2cc1OC	N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-phenoxyacetamide
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1OCC(=O)O	2-[4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid
CCOC(=O)C1=C(COCCN(C)c2nccn2N)NC(C)=C(C(=O)OC)C1c1ccccc1Cl	3-O-ethyl 5-O-methyl 2-[2-[(1-aminoimidazol-2-yl)-methylamino]ethoxymethyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
COC(=O)[C@]1(O)C[C@H](OC(C)=O)[C@@H](NC(C)=O)[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1	methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-hydroxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
CCCNC(=O)C(C)Oc1cc(C)ccc1N	2-(2-amino-5-methylphenoxy)-N-propylpropanamide
CN1CCN(CCNC(=O)c2ccc(F)cc2)CC1	4-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
C=CCNCc1ccc(Cl)c(Br)c1	N-[(3-bromo-4-chlorophenyl)methyl]prop-2-en-1-amine
COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)N2CCC(C(=O)O)CC2)C1=O	1-[4-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]piperidine-4-carboxylic acid
O=C1CC[C@H](C(=O)N[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)N1	(2S)-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid
CCC(C(C)C)N(CC)CC(C)(C)CN	N'-ethyl-2,2-dimethyl-N'-(2-methylpentan-3-yl)propane-1,3-diamine

CCNC(=NCCc1ccc(O)c(OC)c1)NC1CCN(CC(C)C)CC1

1-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine

O=C(NN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1[N+](=O)[O-]

N-[(3aR,5S,6S,7aR)-5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-nitrobenzamide

CC(=O)Oc1cccc(C(=O)N[C@@H](Cc2cccc(C)c2)C(=O)O)c1

(2S)-2-[(3-acetyloxybenzoyl)amino]-3-(3-methylphenyl)propanoic acid

Cl[Pd]Cl.c1ccc([Sb](C[Sb](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([Sb](C[Sb](c2ccccc2)c2ccccc2)c2ccccc2)cc1

dichloropalladium;diphenylstibanylmethyl(diphenyl)stibane

CN1CC[C@]23c4c5ccc(CO)c4O[C@H]2C(OC(=O)CC(O)C(=O)O)=CC[C@@]3(O)[C@H]1C5

4-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-hydroxy-4-oxobutanoic acid

COC(=O)[C@H](Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)cc1)NC(=O)c1c(F)cccc1F

methyl (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]propanoate

CCC(C)C(C(=O)NC(Cc1ccccc1)C(O)CN(COC(=O)c1ccccc1)NC(=O)C(NC(=O)OC)C(C)(C)C)N1CCN(Cc2cccc(C)n2)C1=O

[[2-hydroxy-3-[[3-methyl-2-[3-[(6-methylpyridin-2-yl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]-[[2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]amino]methyl benzoate

CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(CCCc1ccccc1)CC2

N-[(1S)-2-methyl-1-[7-(3-phenylpropyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]propyl]methanesulfonamide

NCc1cccc(NN(C(=O)Nc2ccc(N3CCOCC3=O)c(C(F)(F)F)c2)c2ccccc2)c1

1-[3-(aminomethyl)anilino]-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1-phenylurea

CCn1nc(C)cc1CC(=O)C(C)(C)N(C)C

3-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one

CC(C)OC(=N)c1ccccc1.Cl

propan-2-yl benzenecarboximidate;hydrochloride

O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc(O)c3cc(O[C@@H]4O[C@H](COC(=O)CC(=O)OC(C(=O)O)C(O)C(=O)O)[C@H](O)[C@@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4OC(=O)/C=C/c4ccc(O)c(O)c4)c(-c4cc(O)c(O)c(O[C@@H]5O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]5O)c4)[o+]c3c2)[C@H](O)[C@H](O)[C@@H]1O

2-[3-[[(2R,3R,4R,5R,6S)-6-[2-[3-[(2S,3R,4R,5R,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyphenyl]-7-[(2S,3R,4R,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxychromenylium-3-yl]oxy-5-[(2S,3R,4R,5S,6R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-3-oxopropanoyl]oxy-3-hydroxybutanedioic acid

N#CC(=Cc1cnn(Cc2ccccc2Cl)c1)c1nc2ccccc2s1

2-(1,3-benzothiazol-2-yl)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]prop-2-enenitrile

NCc1ncnn1Cc1ccc(Br)cc1F

[2-[(4-bromo-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine

FC(F)(F)Oc1ccc(OC2CC2)c(CN[C@@H]2CC[C@H]3CC[C@]2(c2ccccc2)N3)c1

(1R,2R,5S)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-1-phenyl-8-azabicyclo[3.2.1]octan-2-amine

COC(CN)C(=O)N(C)Cc1cccs1

3-amino-2-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide

CC(C)c1noc(CCC(=O)N2CCCC(c3ccccc3)CC2)n1

1-(4-phenylazepan-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

COCCN(C)CCn1cc(-c2cnc3ccc(NC(=O)NC4CCCC4)nc3c2)cn1

1-cyclopentyl-3-[7-[1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea

CN(c1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1)S(C)(=O)=O

2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

CC(C)CC[n+]1csc2ccc(Cl)cc21.CC=C1Sc2ccc(Cl)cc2N1CCC(C)S(=O)(=O)O

4-(5-chloro-2-ethylidene-1,3-benzothiazol-3-yl)butane-2-sulfonic acid;5-chloro-3-(3-methylbutyl)-1,3-benzothiazol-3-ium

CCC(C)COC(=O)/C=C/c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)c(OC)c1

2-methylbutyl (E)-3-[3-methoxy-4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate

COc1ccc2c(c1)nc(-c1ccccc1C)n2Cc1ccccc1F

1-[(2-fluorophenyl)methyl]-5-methoxy-2-(2-methylphenyl)benzimidazole

CN(CCCl)c1nc2ccc([N+](=O)[O-])cc2[nH]1

N-(2-chloroethyl)-N-methyl-6-nitro-1H-benzimidazol-2-amine

CN(C)P1(=S)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O1

6-(6-aminopurin-9-yl)-2-(dimethylamino)-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

CCOC(=O)c1ccc(NC(=O)CC2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)cc1

ethyl 4-[[2-[6-(4-fluorophenyl)-2-oxo-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-12-yl]acetyl]amino]benzoate

CCCCC(N(Cc1ccccn1)Cc1ccccn1)C(N)(c1ccccn1)c1ccccn1

1,1-dipyridin-2-yl-2-N,2-N-bis(pyridin-2-ylmethyl)hexane-1,2-diamine

CC(C)(C)S(=O)(=O)NCCCCCNc1ccc(OC2CCCC2)cc1

N-[5-(4-cyclopentyloxyanilino)pentyl]-2-methylpropane-2-sulfonamide

CC(C)N(CCNC(=O)c1ccc(N)cc1)C(C)C.Cl

4-amino-N-[2-[di(propan-2-yl)amino]ethyl]benzamide;hydrochloride

CCCN(CCC)C(=O)c1csc(-c2cc3ccccc3n2C)n1

2-(1-methylindol-2-yl)-N,N-dipropyl-1,3-thiazole-4-carboxamide

OC1(CN2CCC3(CCCC3)CC2)CCCC1

1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclopentan-1-ol

C=C(C)[C@H]1CC[C@@](C)(O)[C@H]1CC1=C2O[C@@H](C(C)(C)O)C[C@@]2(C)C(=O)C(C(=O)[C@@H](C)CC)=C1O

(2R,3aR)-6-hydroxy-7-[[(1S,2R,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-2-(2-hydroxypropan-2-yl)-3a-methyl-5-[(2S)-2-methylbutanoyl]-2,3-dihydro-1-benzofuran-4-one

COC1c2ccccc2C(=O)N1C1CCCc2ccccc21

3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-isoindol-1-one

CC1CN(c2ncnc3ccc([N+](=O)[O-])cc23)C(C)CN1

4-(2,5-dimethylpiperazin-1-yl)-6-nitroquinazoline

COc1c(Cl)cc(C(C)CO)cc1OCC1CC1

2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propan-1-ol

CCOc1nccc2c(C(=O)c3c(F)cc(C(C)NC(=O)OC(C)(C)C)c(C)c3F)cccc12

tert-butyl N-[1-[4-(1-ethoxyisoquinoline-5-carbonyl)-3,5-difluoro-2-methylphenyl]ethyl]carbamate

C=C.C=CS/C(=C\C(C)CC)c1ccc(CNS)cc1.CC.CC(C)C

ethane;ethene;N-[[4-[(Z)-1-ethenylsulfanyl-3-methylpent-1-enyl]phenyl]methyl]thiohydroxylamine;2-methylpropane

[CH-]=C(COP)OC.[W].[W]

2-methoxyprop-2-enoxyphosphane;tungsten

O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1

[2,6-dibromo-4-[(E)-[1-(2-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenyl] 4-chlorobenzenesulfonate

CCN(C1CCCCC1)S(=O)(=O)c1ccc(F)c(C#N)c1

3-cyano-N-cyclohexyl-N-ethyl-4-fluorobenzenesulfonamide

Nc1nc2ccc(Oc3cc(Cl)ccc3Cl)cc2s1

6-(2,5-dichlorophenoxy)-1,3-benzothiazol-2-amine

CC(C)(C)OC(=O)N[C@@H](CN1CC(Br)CC1=O)C(=O)O

(2S)-3-(4-bromo-2-oxopyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

O=C(CCc1cccs1)N1CCOC[C@@H]1c1ccn[nH]1

1-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one

CC(=O)Nc1ccc(NC(=O)c2c(C)nc3ccc(Cl)cn23)cc1

N-(4-acetamidophenyl)-6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxamide

O=C(O)C1CCCN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1

1-[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl]piperidine-3-carboxylic acid

CC(C)C(=O)N1CCCC1c1ccncc1

2-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-one

CC(C)c1sc(C(C)C)c2c1c1c(C(C)C)sc(C(C)C)c1c1c3c(C(C)C)sc(C(C)C)c3c3c(C(C)C)sc(C(C)C)c3c21

3,5,8,10,14,16,19,21-octa(propan-2-yl)-4,9,15,20-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1(12),2,5,7,10,13,16,18,21-nonaene

CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc2ccc(OC)cc2[nH]1

(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide

CN(CC1CC(O)C1)C(=O)Cn1cc(CN)nn1

2-[4-(aminomethyl)triazol-1-yl]-N-[(3-hydroxycyclobutyl)methyl]-N-methylacetamide

CCCOc1cc(C(=O)O)cc(N2CCCC2=O)c1

3-(2-oxopyrrolidin-1-yl)-5-propoxybenzoic acid

Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OC3(C(=O)[O-])CC(O)C(CC(=O)CNC(=O)CCOCCCNC(=O)OCC4c5ccccc5-c5ccccc54)C(C(O)[C@H](O)CO)O3)[C@H](O)C2O)c(=O)n1.[Na+]

sodium;2-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-[3-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]propanoylamino]-2-oxopropyl]-4-hydroxy-6-[(2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

C=C[C@@]1(C)C[C@@H](n2ccc3c(Cl)ccc(F)c32)[C@@H]2OC(C)(C)O[C@@H]21

1-[(3aR,4R,6R,6aS)-4-ethenyl-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]-4-chloro-7-fluoroindole

CCCS(=O)(=O)N1CCCC1C(=O)OCC(=O)NCC1CCCCC1

[2-(cyclohexylmethylamino)-2-oxoethyl] 1-propylsulfonylpyrrolidine-2-carboxylate

Cc1cccc(Cc2nc(CN)co2)c1

[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]methanamine

Cc1cc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5cc(-c6[c-]cc(-c7ccccc7-c7cc(-c8ccccc8-c8c[c-]c(-c9cc(C)c(-c%10cccc%11c%10c%10ccccc%10n%11-c%10cccc(-c%11nc(-c%12ccccc%12)cc(-c%12ccccc%12)n%11)c%10)cn9)cc8)cc(-c8ccccc8-c8c[c-]c(-c9cc(C)c(-c%10cccc%11c%10c%10ccccc%10n%11-c%10cccc(-c%11nc(-c%12ccccc%12)cc(-c%12ccccc%12)n%11)c%10)cn9)cc8)c7)cc6)ncn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5cc(C)c(-c6cccc7c6c6ccccc6n7-c6cccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6)cn5)cc4)c3)cc2)ncc1-c1cccc2c1c1ccccc1n2-c1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.[Ir+3].[Ir+3]

4-[6-[4-[2-[3-[2-[4-[6-[4-[2-[3,5-bis[2-[4-[5-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-methylpyridin-2-yl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyrimidin-4-yl]benzene-5-id-1-yl]phenyl]-5-[2-[4-[5-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-methylpyridin-2-yl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-methylpyridin-3-yl]-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;iridium(3+)

CCC1CC2CCCC(C2)CC2OCC3(CCC4C[C@]3(C)C4O)[C@@H]12

(1'S,7R)-8-ethyl-1'-methylspiro[4-oxatricyclo[8.3.1.03,7]tetradecane-6,2'-bicyclo[3.1.1]heptane]-6'-ol

CC(O)OC1CCC2(C)[C@H]3C(=O)C=C4C5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)C3(C)CC[C@]23CC13C

(2S,5S,8S,14S,21S)-18-(1-hydroxyethoxy)-1,2,5,8,15,19-hexamethyl-13-oxohexacyclo[12.9.0.02,11.05,10.015,21.019,21]tricos-11-ene-8-carboxylic acid

CC(C)CC(CNC(=O)[C@@H]1C[C@]12CCOc1ccccc12)C(=O)O

4-methyl-2-[[[(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl]amino]methyl]pentanoic acid

CS(=O)(=O)Nc1cc(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)ccc1Cl

N-[6-(3-bromophenoxy)pyridin-3-yl]-4-chloro-3-(methanesulfonamido)benzamide

CCCCc1c(/C=C/C(=O)N[C@H](C)CCCc2cccnc2)cc(OC)c2ccccc12

(E)-3-(1-butyl-4-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide

CSc1ccccc1NC(=O)c1cccc(NC(C)=O)c1

3-acetamido-N-(2-methylsulfanylphenyl)benzamide

O=C(OCC1O[C@@H](n2c(=O)cc[nH]c2=O)C[C@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1

[(3R,5R)-3-(4-chlorobenzoyl)oxy-5-(2,4-dioxo-1H-pyrimidin-3-yl)oxolan-2-yl]methyl 4-chlorobenzoate

N#CCc1cnc(-c2ccc(-n3cccc3NCC3(c4ncccc4F)CCC3)nc2)s1

2-[2-[6-[2-[[1-(3-fluoropyridin-2-yl)cyclobutyl]methylamino]pyrrol-1-yl]pyridin-3-yl]-1,3-thiazol-5-yl]acetonitrile

CC(=O)N1CCN(C(=O)c2cc(Nc3cccc(Cl)c3)ncn2)CC1

1-[4-[6-(3-chloroanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone

ClCc1nnc([C@@H]2CCCOC2)o1

2-(chloromethyl)-5-[(3R)-oxan-3-yl]-1,3,4-oxadiazole

CNC[C@@H]1OCC(O)(O)c2cccc(F)c21

(1R)-8-fluoro-1-(methylaminomethyl)-1,3-dihydroisochromene-4,4-diol

Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)N/N=C/c3ccc(O)cc3O)c2c1

2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methylquinoline-4-carboxamide

CCCC[NH2+]Cc1ccc(SC)cc1

butyl-[(4-methylsulfanylphenyl)methyl]azanium

CO[P+]([S-])(OC)C(c1ccccc1)C(C#N)C#N

(2,2-dicyano-1-phenylethyl)-dimethoxy-sulfidophosphanium

CC(O)CC1CS(=O)(=O)c2ccccc21

1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol

CC(C)Cc1nc(-c2cccs2)sc1CNC(C)C

N-[[4-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine

Cc1c(Cl)cccc1NC(=S)Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1

1-(3-chloro-2-methylphenyl)-3-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]thiourea

O=c1[nH]oc2cc(O)cc(O)c12

4,6-dihydroxy-1,2-benzoxazol-3-one

C[C@H]([NH2+]CC[C@H](c1ccccc1)c1ccco1)c1ccc(Cl)cc1

[(1S)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-3-phenylpropyl]azanium

O=C(NC1CC1)c1csc(CNCc2ccc(-c3ccccc3)cc2)n1

N-cyclopropyl-2-[[(4-phenylphenyl)methylamino]methyl]-1,3-thiazole-4-carboxamide

COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1

2-fluoro-5-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]benzamide

Cl.O=C(NCC[C@H]1CCCN1)c1ccccc1I

2-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide;hydrochloride

c1ccc(CCN(Cc2ccccc2)C2CCCCC2)cc1

N-benzyl-N-(2-phenylethyl)cyclohexanamine

Cc1cc(C)nc(NC(c2cccnc2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)n1

N-[3-[[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide

CCOC(=O)C=C(C)Nc1ccccc1OCc1ccccc1

ethyl 3-(2-phenylmethoxyanilino)but-2-enoate

CCCC(CCN)CCC(=O)N(CC(=O)OCC)C1CC1

ethyl 2-[4-(2-aminoethyl)heptanoyl-cyclopropylamino]acetate

CCCC(O)c1noc(CCOCC)n1

1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]butan-1-ol

CSCC[C@H](NC(=O)NC1(C)CCCC1)C(=O)O

(2S)-2-[(1-methylcyclopentyl)carbamoylamino]-4-methylsulfanylbutanoic acid

O=C(NCC(=O)N1CCCC(n2cncn2)C1)c1ccc2c(c1)OCO2

N-[2-oxo-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

COC(=O)c1ccc(C(F)F)c(CO)c1C#N

methyl 2-cyano-4-(difluoromethyl)-3-(hydroxymethyl)benzoate

CCCNC(=O)CN(C)C(=O)NC(C(=O)O)C(C)O

3-hydroxy-2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]butanoic acid

COc1ccc(Cn2c(O)c(C)c(C)c2SCC(=O)Nc2ccccn2)cc1

2-[5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrrol-2-yl]sulfanyl-N-pyridin-2-ylacetamide

C=C(C)CCN1CCC(N2CCOCC2)CC1

4-[1-(3-methylbut-3-enyl)piperidin-4-yl]morpholine

CCCSCCCC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

4-propylsulfanyl-1,1-bis(trifluoromethylsulfonyl)butane

CCc1c(C(=O)N2CCCC(O)C2)cnn1Cc1ccccc1

(1-benzyl-5-ethylpyrazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone

CC(C)C(C)C(=O)c1ccc(F)cc1F

1-(2,4-difluorophenyl)-2,3-dimethylbutan-1-one

COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)COc4ccccc4)cc3)c2cc1OC

N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-phenoxyacetamide

CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1OCC(=O)O

2-[4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid

CCOC(=O)C1=C(COCCN(C)c2nccn2N)NC(C)=C(C(=O)OC)C1c1ccccc1Cl

3-O-ethyl 5-O-methyl 2-[2-[(1-aminoimidazol-2-yl)-methylamino]ethoxymethyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

COC(=O)[C@]1(O)C[C@H](OC(C)=O)[C@@H](NC(C)=O)[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1

methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-hydroxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

CCCNC(=O)C(C)Oc1cc(C)ccc1N

2-(2-amino-5-methylphenoxy)-N-propylpropanamide

CN1CCN(CCNC(=O)c2ccc(F)cc2)CC1

4-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

C=CCNCc1ccc(Cl)c(Br)c1

N-[(3-bromo-4-chlorophenyl)methyl]prop-2-en-1-amine

COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)N2CCC(C(=O)O)CC2)C1=O

1-[4-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]piperidine-4-carboxylic acid

O=C1CC[C@H](C(=O)N[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)N1

(2S)-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid

CCC(C(C)C)N(CC)CC(C)(C)CN

N'-ethyl-2,2-dimethyl-N'-(2-methylpentan-3-yl)propane-1,3-diamine