AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-16

SMILES stringlengths 2 815	IUPAC stringlengths 4 1.44k
CC1C(=O)N(c2ccc(Cl)cc2)CCN1C(=O)C(C)(C)C	1-(4-chlorophenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one
CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)c1ncccn1	N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine
COc1c(O)c(O)c2oc(=O)ccc2c1CC=C(C)CO	7,8-dihydroxy-5-(4-hydroxy-3-methylbut-2-enyl)-6-methoxychromen-2-one
C#CCC(CC)NCc1nnc(CN(C)C)n1-c1ccc(F)cc1C(=O)c1ccccc1	[2-[3-[(dimethylamino)methyl]-5-[(hex-5-yn-3-ylamino)methyl]-1,2,4-triazol-4-yl]-5-fluorophenyl]-phenylmethanone
O=C(O)C1CCN(S(=O)(=O)c2csc(-c3ccccc3)n2)CC1	1-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]piperidine-4-carboxylic acid
C=C(C)CN(C)CC(=O)Nc1ccccc1Cl	N-(2-chlorophenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetamide
CC(C)C1(C)CC1NC(=O)N1CCC(C)(C(=O)O)C1	3-methyl-1-[(2-methyl-2-propan-2-ylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CCCCOP(=O)(OCCCC)C1(NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)=C(Cl)C(=O)c2ccccc21	4-chloro-N-(2,3-dichloro-1-dibutoxyphosphoryl-4-oxonaphthalen-1-yl)benzenesulfonamide
COc1ccccc1C(NC(=O)NCc1ccc(Cl)s1)c1nccn1C	1-[(5-chlorothiophen-2-yl)methyl]-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
COc1ccc(C(NC(=O)CC2C(C)NNC2C)C2CC(O)C2)cc1F	2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide
CCNCCOc1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1	4-[2-(ethylamino)ethoxy]-N-(1H-pyrazol-4-yl)benzenesulfonamide
CSC1(CNC(=O)c2cnccc2Cl)CCCCC1	4-chloro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridine-3-carboxamide
COOSC1CCC(C)C(Cl)C1	2-chloro-1-methyl-4-methylperoxysulfanylcyclohexane
CN(C)C(=O)N1CCn2nc(CNS(=O)(=O)c3cccnc3)cc2C1	N,N-dimethyl-2-[(pyridin-3-ylsulfonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CC(C)(C)OC(=O)NCCCCN(C(=O)CCO)C1CCCCCC1	tert-butyl N-[4-[cycloheptyl(3-hydroxypropanoyl)amino]butyl]carbamate
POc1ccccc1Cc1ccccc1	(2-benzylphenoxy)phosphane
Cc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3Cl)c(C#N)cc2c1	2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide
Cc1nc2ccc(NC(=O)CCCNC(=O)NC3CCCCC3)cc2s1	4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
c1ccc(-c2cc(-c3cccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)c3)nc(-c3ccccc3)n2)cc1	2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine
Cc1ccc(Cl)c(NC(=O)N(CCCCO)C2CC2)c1	3-(2-chloro-5-methylphenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea
Cc1c(F)cc(C(N)=O)cc1NC(=O)C(F)(F)C(F)(F)F	3-fluoro-4-methyl-5-(2,2,3,3,3-pentafluoropropanoylamino)benzamide
C[C@H](NC(=O)COC(=O)c1ccco1)c1ccc(Br)cc1	[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] furan-2-carboxylate
COC(=O)N[C@H](C(=O)N1C[C@@H]2CC[C@@H]2[C@H]1C(=O)N[C@@H](CCC(C)(F)F)C(=O)C(=O)NC1CC1)C(C)(C)C	methyl N-[(2S)-1-[(1S,2S,5R)-2-[[(3S)-1-(cyclopropylamino)-6,6-difluoro-1,2-dioxoheptan-3-yl]carbamoyl]-3-azabicyclo[3.2.0]heptan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CSCCN(C)c1nc2c(-c3ccccc3)csc2c(=O)[nH]1	2-[methyl(2-methylsulfanylethyl)amino]-7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
CC(NS(=O)(=O)c1c(N)ncn1C)c1cccs1	5-amino-3-methyl-N-(1-thiophen-2-ylethyl)imidazole-4-sulfonamide
O=C1/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1	(5Z)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
C#Cc1ccc2c3c(c([C@H](C)NC(=O)c4c(N)nn5cccnc45)n(-c4ccccc4)c(=O)c13)C=C2	2-amino-N-[(1S)-1-(9-ethynyl-7-oxo-6-phenyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,8,10-pentaen-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CC(C)CCOc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1	[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(3-methylbutoxy)benzoate
COCOc1cc(CC(=O)OC)c(-c2cccc(/C=N/OC)c2)c(OCOC)c1	methyl 2-[2-[3-[(E)-methoxyiminomethyl]phenyl]-3,5-bis(methoxymethoxy)phenyl]acetate
CC(=O)c1nc([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cs1	1-[4-[(1S,2S,3R,4R)-1,2,3,4,5-pentahydroxypentyl]-1,3-thiazol-2-yl]ethanone
CCNC(=O)CNCCOc1ccccc1OC	N-ethyl-2-[2-(2-methoxyphenoxy)ethylamino]acetamide
COc1ccc(CN2CCCn3cccc3C2c2ccccc2F)cc1	1-(2-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
Cc1ccc2ccccc2c1C(N)COCC(F)(F)F	1-(2-methylnaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccccc3-n3nc(C)cc3C)c2)cc1	N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
Cc1cccc(CC(=O)N(CCc2ccccc2)C(C)C(=O)NC(C)(C)C)c1	N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
O=C(CCc1ccccc1)CC(COc1ccc(O)c(O)c1)OC1CC(O)CCO1	6-(3,4-dihydroxyphenoxy)-5-(4-hydroxyoxan-2-yl)oxy-1-phenylhexan-3-one
C[C@H](CC(=O)N1CCOCC1)[C@H](C)c1ccccc1	(3R,4S)-3-methyl-1-morpholin-4-yl-4-phenylpentan-1-one
COc1c(C)cccc1C(=O)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(2-methoxy-3-methylphenyl)methanone
COc1cc(OC)cc(OCCNc2c3c(nc4ccc(OC)cc24)CCCC3)c1	N-[2-(3,5-dimethoxyphenoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccn(-c2ccccc2Cl)n1	(3S,6R)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]-6-methylpiperidine-3-carboxamide
CCC1=NN(c2ccccc2)C2(SC(C(C)=O)=NN2c2ccccc2Cl)c2ccccc21	1-[4-(2-chlorophenyl)-4'-ethyl-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-yl]ethanone
CCCCCCCCCCCCCCCCc1ccc(CC)cc1	1-ethyl-4-hexadecylbenzene
COc1ccc(Nc2nc(C(=O)O)co2)cn1	2-[(6-methoxypyridin-3-yl)amino]-1,3-oxazole-4-carboxylic acid
Cc1cc(C)c(NC(=O)CCNC(=O)Cc2ccccc2)c(Cl)c1	N-(2-chloro-4,6-dimethylphenyl)-3-[(2-phenylacetyl)amino]propanamide
Cn1nc(CNC(=O)N2CCc3ccccc3C2)c2ccccc2c1=O	N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
C[C@@H](CNC(=O)[C@@H]1CCCO1)Oc1ccccc1Br	(2S)-N-[(2S)-2-(2-bromophenoxy)propyl]oxolane-2-carboxamide
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1	ethyl (3R)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylate
NCc1nc(C(=O)Nc2cccc(CCC(=O)O)c2)cs1	3-[3-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]phenyl]propanoic acid
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)cc1	methyl 4-[2,5-dimethyl-3-[(Z)-[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoate
CC/C=C\C=C/C=C\C=C/C=C/C=C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropyl] (7Z,9Z,11E,13Z,15Z,17Z,19Z)-docosa-7,9,11,13,15,17,19-heptaenoate
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC1OC1Nc1cc(OC)c(C(=O)NCCN(CC)CC)cc1Cl	5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[[3-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]oxiran-2-yl]amino]benzamide
CC(C)CC(CC(C)C)C(C)(C)C.CCCCCC(CCCC)C(C)(C)C	5-tert-butyldecane;4-tert-butyl-2,6-dimethylheptane
CCc1ccc(CN(Cc2cccnc2)C(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1	N-[(4-ethylphenyl)methyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide
O=C(CSC1=NCCS1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1	2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
Cc1[nH]ccc2c1[nH]c1cc(=O)c(Br)cc12	6-bromo-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one
CS(=O)(=O)Oc1ccc(Br)c(CN2CCC(NCCc3cncn3Cc3ccc(C#N)c(F)c3)C2=O)c1.Cl	[4-bromo-3-[[3-[2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]ethylamino]-2-oxopyrrolidin-1-yl]methyl]phenyl] methanesulfonate;hydrochloride
CCC(=O)N(c1cccc(N)c1)C1CCN(CC(C(=O)O)c2ccccc2)CC1	3-[4-(3-amino-N-propanoylanilino)piperidin-1-yl]-2-phenylpropanoic acid
CCOC(=O)C#CC[C@H](C)OC(=O)[C@H](CS)NC(=O)OC(C)(C)C	ethyl (5S)-5-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoyl]oxyhex-2-ynoate
CC(O)N(c1ccc(O)cc1)C1CCCC1CCCCCCC(=O)O	7-[2-[4-hydroxy-N-(1-hydroxyethyl)anilino]cyclopentyl]heptanoic acid
CC(C)n1ncc(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)c1C(F)(F)F	1-[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CN(C(=O)C1(C(F)(F)F)CCNC1)c1cccc(C#N)c1	N-(3-cyanophenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
Cc1ccc(C2(O)CC2)c2c1CCCC2	1-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropan-1-ol
COCCC(C)(C)CN=C(N)c1ccccc1	N'-(4-methoxy-2,2-dimethylbutyl)benzenecarboximidamide
CCOC(=O)/C=C(C)/C=C/C=C/C=C/c1ccccc1	ethyl (2E,4E,6E,8E)-3-methyl-9-phenylnona-2,4,6,8-tetraenoate
COC(=O)C1CCC(C(=O)N(c2ccccc2)[C@@H]2CCOC2)CC1	methyl 4-[[(3R)-oxolan-3-yl]-phenylcarbamoyl]cyclohexane-1-carboxylate
CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].C[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([n-]4)c(-c4cc[n+](C)cc4)c4nc(c(-c5ccc(OCCCCC(=O)NCCCOc6ccc(-c7nc8ccc(-c9nc%10cc(N%11CC[N+](C)(C)CC%11)ccc%10[nH]9)cc8[nH]7)cc6)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.[Mn+2]	N-[3-[4-[6-[5-(4,4-dimethylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]propyl]-5-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diid-5-yl]phenoxy]pentanamide;manganese(2+);tetraacetate
N[C@@H]1CCN(Cc2cn3c(C(=O)NCC45CC6CC(CC(C6)C4)C5)cccc3n2)C1	N-(1-adamantylmethyl)-2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxamide
Clc1ccc2c(c1)CC1(CCN(CCOc3ccccc3)C1)O2.OC1(Cc2cc(Cl)ccc2F)CCN(CCOc2ccccc2)C1.[H-].[Na+]	sodium;3-[(5-chloro-2-fluorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidin-3-ol;5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine];hydride
C.C.C.C.C.C.C.CCOC(=O)c1ccc(Oc2ccc3c(c2)COB3C)nc1OCC1CCCC1.CCOC(=O)c1ccc(Oc2ccc3c(c2)COB3O)cc1OCC1CC1.CCOC(=O)c1ccc(Oc2ccc3c(c2)COB3O)cc1OCC1CCCC1.CCOC(=O)c1ccc(Oc2ccc3c(c2)COB3O)nc1OCC1CC1.O=C(CO)c1ccc(Oc2ccc3c(c2)COB3O)cc1OCC1CC1.O=C(CO)c1ccc(Oc2ccc3c(c2)COB3O)cc1OCC1CCCC1.O=C(CO)c1ccc(Oc2ccc3c(c2)COB3O)nc1OCC1CC1.O=C(CO)c1ccc(Oc2ccc3c(c2)COB3O)nc1OCC1CCCC1	1-[2-(cyclopentylmethoxy)-4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]phenyl]-2-hydroxyethanone;1-[2-(cyclopentylmethoxy)-6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridin-3-yl]-2-hydroxyethanone;1-[2-(cyclopropylmethoxy)-4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]phenyl]-2-hydroxyethanone;1-[2-(cyclopropylmethoxy)-6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridin-3-yl]-2-hydroxyethanone;ethyl 2-(cyclopentylmethoxy)-4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzoate;ethyl 2-(cyclopentylmethoxy)-6-[(1-methyl-3H-2,1-benzoxaborol-5-yl)oxy]pyridine-3-carboxylate;ethyl 2-(cyclopropylmethoxy)-4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzoate;ethyl 2-(cyclopropylmethoxy)-6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine-3-carboxylate;methane
Cn1cc(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)c(-c2ccccc2)n1	[5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridin-3-yl]-piperidin-1-ylmethanone
CC(=O)/C=C/C1=C(/C=C/OCOP(=O)(ON=[N+]=[N-])ON=[N+]=[N-])CCC2C1CC[C@@]1(C)C2CC[C@@H]1OC(C)=O.[Na+]	sodium;[(3S,3aS)-7-[(E)-2-(diazidooxyphosphoryloxymethoxy)ethenyl]-3a-methyl-6-[(E)-3-oxobut-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl] acetate
c1cc(SC[C@H]2CCCN2)ncn1	4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CC(=O)OCc1ccc(C(=N)N)cc1	(4-carbamimidoylphenyl)methyl acetate
CC(=O)O[C@@H]1[C@@](CF)(COP(=O)(OCOC(=O)C(C)C)OCOC(O)C(C)C)O[C@@H](n2ccc(=O)n(COC(=O)C(N)C(C)C)c2=O)[C@]1(C)O	[3-[(2R,3R,4S,5R)-4-acetyloxy-5-(fluoromethyl)-3-hydroxy-5-[[(1-hydroxy-2-methylpropoxy)methoxy-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl]-3-methyloxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl 2-amino-3-methylbutanoate
CC1(C)Cc2nc(N=C(N)N)sc2C[C@@H]1c1ccccc1.O=CO	2-[(6S)-5,5-dimethyl-6-phenyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl]guanidine;formic acid
CS(=O)(=O)[N+]1(Cc2ccc(F)cc2)CCN(C(=O)C2CNc3ccccc3O2)C(Cl)C1	[2-chloro-4-[(4-fluorophenyl)methyl]-4-methylsulfonylpiperazin-4-ium-1-yl]-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanone
CCCN1C(=O)C(C(C)(C)C)=C(C(C)(C)C)CCS1(=O)=O	4,5-ditert-butyl-1,1-dioxo-2-propyl-6,7-dihydrothiazepin-3-one
CS(=O)(=O)N[C@@H]1CCCN(c2ccc(F)cc2C#N)C1	N-[(3R)-1-(2-cyano-4-fluorophenyl)piperidin-3-yl]methanesulfonamide
CCC1CCC(C)N1CCC(=O)Nc1cccc(N)c1C	N-(3-amino-2-methylphenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propanamide
CC#CCCNCc1ccc(OC)c2ccccc12	N-[(4-methoxynaphthalen-1-yl)methyl]pent-3-yn-1-amine
CC[C@@H](C(=O)N=O)N1CCCC1=O	(2S)-N-oxo-2-(2-oxopyrrolidin-1-yl)butanamide
COCc1nc(-c2ccc(NC(=O)c3cc(-c4ccccc4)n[nH]3)cc2)n[nH]1	N-[4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
COC(=O)c1c(CBr)cc(C#N)cc1SC(F)(F)F	methyl 2-(bromomethyl)-4-cyano-6-(trifluoromethylsulfanyl)benzoate
CNC1=CS(=O)(=O)C=C1N[C@@H](Cc1ccc(OCO)cc1)C(=O)OC(C)(C)C	tert-butyl (2S)-3-[4-(hydroxymethoxy)phenyl]-2-[[4-(methylamino)-1,1-dioxothiophen-3-yl]amino]propanoate
C[C@H](NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2	N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-tert-butylphenyl)quinoline-4-carboxamide
CCCC1NC(=O)N(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1=O	2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
O=C(CCC(=O)c1ccccc1)O[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1	[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-oxo-4-phenylbutanoate
Cc1cccc(COc2ccc(/C(O)=C3\C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc56)s4)C3c3cccc(Cl)c3)cc2)c1	(4E)-5-(3-chlorophenyl)-4-[hydroxy-[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
CCCCCn1cnnc1SCC(=O)Nc1ncc(Cl)cc1Cl	N-(3,5-dichloropyridin-2-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CCC(C)(CO)C(=O)NC	2-(hydroxymethyl)-N,2-dimethylbutanamide
C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O	(4S)-4-amino-5-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Clc1ncnc2[nH]c3ccccc3c12	4-chloro-9H-pyrimido[4,5-b]indole
CCOC(=O)n1cc(CO)nn1	ethyl 4-(hydroxymethyl)triazole-1-carboxylate
Cc1cc2c3c(c1)N(c1cccc4c1sc1ccccc14)c1cc4c(cc1B3c1ccc(N3c5ccc(C(C)(C)C)cc5C5(C)CCCCC35C)cc1N2c1cc2c(cc1C)C(C)(C)c1ccccc1C2(C)C)C(C)(C)CC4(C)C	5-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-14-dibenzothiophen-4-yl-11,18,18,20,20-pentamethyl-8-(3,9,9,10,10-pentamethylanthracen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaene
CCCCC1(Cc2ccc(S(=O)(=O)N(C)C(C)c3nn[nH]n3)cc2)N=C(Cl)C(CO)=N1	4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-2-yl]methyl]-N-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
O=C(NC1(C(=O)N[C@@H](CC2CC2)C(=O)O)CCOC1)OCC1c2ccccc2-c2ccccc21	(2S)-3-cyclopropyl-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]propanoic acid
CCC(C#N)(CC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	2-chloro-N-(3-cyanopentan-3-yl)-4-nitrobenzenesulfonamide
CC.CCC(C)(CC)/C(C)=C(/C=C(\C)C(C)(CC)CC)OC	(4Z,6E)-3,8-diethyl-5-methoxy-3,4,7,8-tetramethyldeca-4,6-diene;ethane
Cc1nc(CN2CCO[C@@H](Cn3cccn3)C2)no1	(2R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CN(c1c(N)cnc2ccc(Br)cc12)C1CCS(=O)(=O)C1	6-bromo-4-N-(1,1-dioxothiolan-3-yl)-4-N-methylquinoline-3,4-diamine

CC1C(=O)N(c2ccc(Cl)cc2)CCN1C(=O)C(C)(C)C

1-(4-chlorophenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one

CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)c1ncccn1

N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine

COc1c(O)c(O)c2oc(=O)ccc2c1CC=C(C)CO

7,8-dihydroxy-5-(4-hydroxy-3-methylbut-2-enyl)-6-methoxychromen-2-one

C#CCC(CC)NCc1nnc(CN(C)C)n1-c1ccc(F)cc1C(=O)c1ccccc1

[2-[3-[(dimethylamino)methyl]-5-[(hex-5-yn-3-ylamino)methyl]-1,2,4-triazol-4-yl]-5-fluorophenyl]-phenylmethanone

O=C(O)C1CCN(S(=O)(=O)c2csc(-c3ccccc3)n2)CC1

1-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]piperidine-4-carboxylic acid

C=C(C)CN(C)CC(=O)Nc1ccccc1Cl

N-(2-chlorophenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetamide

CC(C)C1(C)CC1NC(=O)N1CCC(C)(C(=O)O)C1

3-methyl-1-[(2-methyl-2-propan-2-ylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid

CCCCOP(=O)(OCCCC)C1(NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)=C(Cl)C(=O)c2ccccc21

4-chloro-N-(2,3-dichloro-1-dibutoxyphosphoryl-4-oxonaphthalen-1-yl)benzenesulfonamide

COc1ccccc1C(NC(=O)NCc1ccc(Cl)s1)c1nccn1C

1-[(5-chlorothiophen-2-yl)methyl]-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea

COc1ccc(C(NC(=O)CC2C(C)NNC2C)C2CC(O)C2)cc1F

2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide

CCNCCOc1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1

4-[2-(ethylamino)ethoxy]-N-(1H-pyrazol-4-yl)benzenesulfonamide

CSC1(CNC(=O)c2cnccc2Cl)CCCCC1

4-chloro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridine-3-carboxamide

COOSC1CCC(C)C(Cl)C1

2-chloro-1-methyl-4-methylperoxysulfanylcyclohexane

CN(C)C(=O)N1CCn2nc(CNS(=O)(=O)c3cccnc3)cc2C1

N,N-dimethyl-2-[(pyridin-3-ylsulfonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

CC(C)(C)OC(=O)NCCCCN(C(=O)CCO)C1CCCCCC1

tert-butyl N-[4-[cycloheptyl(3-hydroxypropanoyl)amino]butyl]carbamate

POc1ccccc1Cc1ccccc1

(2-benzylphenoxy)phosphane

Cc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3Cl)c(C#N)cc2c1

2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide

Cc1nc2ccc(NC(=O)CCCNC(=O)NC3CCCCC3)cc2s1

4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide

c1ccc(-c2cc(-c3cccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)c3)nc(-c3ccccc3)n2)cc1

2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine

Cc1ccc(Cl)c(NC(=O)N(CCCCO)C2CC2)c1

3-(2-chloro-5-methylphenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea

Cc1c(F)cc(C(N)=O)cc1NC(=O)C(F)(F)C(F)(F)F

3-fluoro-4-methyl-5-(2,2,3,3,3-pentafluoropropanoylamino)benzamide

C[C@H](NC(=O)COC(=O)c1ccco1)c1ccc(Br)cc1

[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] furan-2-carboxylate

COC(=O)N[C@H](C(=O)N1C[C@@H]2CC[C@@H]2[C@H]1C(=O)N[C@@H](CCC(C)(F)F)C(=O)C(=O)NC1CC1)C(C)(C)C

methyl N-[(2S)-1-[(1S,2S,5R)-2-[[(3S)-1-(cyclopropylamino)-6,6-difluoro-1,2-dioxoheptan-3-yl]carbamoyl]-3-azabicyclo[3.2.0]heptan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

CSCCN(C)c1nc2c(-c3ccccc3)csc2c(=O)[nH]1

2-[methyl(2-methylsulfanylethyl)amino]-7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one

CC(NS(=O)(=O)c1c(N)ncn1C)c1cccs1

5-amino-3-methyl-N-(1-thiophen-2-ylethyl)imidazole-4-sulfonamide

O=C1/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1

(5Z)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

C#Cc1ccc2c3c(c([C@H](C)NC(=O)c4c(N)nn5cccnc45)n(-c4ccccc4)c(=O)c13)C=C2

2-amino-N-[(1S)-1-(9-ethynyl-7-oxo-6-phenyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,8,10-pentaen-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

CC(C)CCOc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(3-methylbutoxy)benzoate

COCOc1cc(CC(=O)OC)c(-c2cccc(/C=N/OC)c2)c(OCOC)c1

methyl 2-[2-[3-[(E)-methoxyiminomethyl]phenyl]-3,5-bis(methoxymethoxy)phenyl]acetate

CC(=O)c1nc([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cs1

1-[4-[(1S,2S,3R,4R)-1,2,3,4,5-pentahydroxypentyl]-1,3-thiazol-2-yl]ethanone

CCNC(=O)CNCCOc1ccccc1OC

N-ethyl-2-[2-(2-methoxyphenoxy)ethylamino]acetamide

COc1ccc(CN2CCCn3cccc3C2c2ccccc2F)cc1

1-(2-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine

Cc1ccc2ccccc2c1C(N)COCC(F)(F)F

1-(2-methylnaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccccc3-n3nc(C)cc3C)c2)cc1

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide

Cc1cccc(CC(=O)N(CCc2ccccc2)C(C)C(=O)NC(C)(C)C)c1

N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]propanamide

O=C(CCc1ccccc1)CC(COc1ccc(O)c(O)c1)OC1CC(O)CCO1

6-(3,4-dihydroxyphenoxy)-5-(4-hydroxyoxan-2-yl)oxy-1-phenylhexan-3-one

C[C@H](CC(=O)N1CCOCC1)[C@H](C)c1ccccc1

(3R,4S)-3-methyl-1-morpholin-4-yl-4-phenylpentan-1-one

COc1c(C)cccc1C(=O)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1

[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(2-methoxy-3-methylphenyl)methanone

COc1cc(OC)cc(OCCNc2c3c(nc4ccc(OC)cc24)CCCC3)c1

N-[2-(3,5-dimethoxyphenoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine

C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccn(-c2ccccc2Cl)n1

(3S,6R)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]-6-methylpiperidine-3-carboxamide

CCC1=NN(c2ccccc2)C2(SC(C(C)=O)=NN2c2ccccc2Cl)c2ccccc21

1-[4-(2-chlorophenyl)-4'-ethyl-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-yl]ethanone

CCCCCCCCCCCCCCCCc1ccc(CC)cc1

1-ethyl-4-hexadecylbenzene

COc1ccc(Nc2nc(C(=O)O)co2)cn1

2-[(6-methoxypyridin-3-yl)amino]-1,3-oxazole-4-carboxylic acid

Cc1cc(C)c(NC(=O)CCNC(=O)Cc2ccccc2)c(Cl)c1

N-(2-chloro-4,6-dimethylphenyl)-3-[(2-phenylacetyl)amino]propanamide

Cn1nc(CNC(=O)N2CCc3ccccc3C2)c2ccccc2c1=O

N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C[C@@H](CNC(=O)[C@@H]1CCCO1)Oc1ccccc1Br

(2S)-N-[(2S)-2-(2-bromophenoxy)propyl]oxolane-2-carboxamide

CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1

ethyl (3R)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylate

NCc1nc(C(=O)Nc2cccc(CCC(=O)O)c2)cs1

3-[3-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]phenyl]propanoic acid

COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)cc1

methyl 4-[2,5-dimethyl-3-[(Z)-[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoate

CC/C=C\C=C/C=C\C=C/C=C/C=C\C=C/CCCCCC(=O)OCC(COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropyl] (7Z,9Z,11E,13Z,15Z,17Z,19Z)-docosa-7,9,11,13,15,17,19-heptaenoate

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC1OC1Nc1cc(OC)c(C(=O)NCCN(CC)CC)cc1Cl

5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[[3-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]oxiran-2-yl]amino]benzamide

CC(C)CC(CC(C)C)C(C)(C)C.CCCCCC(CCCC)C(C)(C)C

5-tert-butyldecane;4-tert-butyl-2,6-dimethylheptane

CCc1ccc(CN(Cc2cccnc2)C(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1

N-[(4-ethylphenyl)methyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide

O=C(CSC1=NCCS1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

Cc1[nH]ccc2c1[nH]c1cc(=O)c(Br)cc12

6-bromo-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one

CS(=O)(=O)Oc1ccc(Br)c(CN2CCC(NCCc3cncn3Cc3ccc(C#N)c(F)c3)C2=O)c1.Cl

[4-bromo-3-[[3-[2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]ethylamino]-2-oxopyrrolidin-1-yl]methyl]phenyl] methanesulfonate;hydrochloride

CCC(=O)N(c1cccc(N)c1)C1CCN(CC(C(=O)O)c2ccccc2)CC1

3-[4-(3-amino-N-propanoylanilino)piperidin-1-yl]-2-phenylpropanoic acid

CCOC(=O)C#CC[C@H](C)OC(=O)[C@H](CS)NC(=O)OC(C)(C)C

ethyl (5S)-5-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoyl]oxyhex-2-ynoate

CC(O)N(c1ccc(O)cc1)C1CCCC1CCCCCCC(=O)O

7-[2-[4-hydroxy-N-(1-hydroxyethyl)anilino]cyclopentyl]heptanoic acid

CC(C)n1ncc(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)c1C(F)(F)F

1-[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

CN(C(=O)C1(C(F)(F)F)CCNC1)c1cccc(C#N)c1

N-(3-cyanophenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

Cc1ccc(C2(O)CC2)c2c1CCCC2

1-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropan-1-ol

COCCC(C)(C)CN=C(N)c1ccccc1

N'-(4-methoxy-2,2-dimethylbutyl)benzenecarboximidamide

CCOC(=O)/C=C(C)/C=C/C=C/C=C/c1ccccc1

ethyl (2E,4E,6E,8E)-3-methyl-9-phenylnona-2,4,6,8-tetraenoate

COC(=O)C1CCC(C(=O)N(c2ccccc2)[C@@H]2CCOC2)CC1

methyl 4-[[(3R)-oxolan-3-yl]-phenylcarbamoyl]cyclohexane-1-carboxylate

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].C[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([n-]4)c(-c4cc[n+](C)cc4)c4nc(c(-c5ccc(OCCCCC(=O)NCCCOc6ccc(-c7nc8ccc(-c9nc%10cc(N%11CC[N+](C)(C)CC%11)ccc%10[nH]9)cc8[nH]7)cc6)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.[Mn+2]

N-[3-[4-[6-[5-(4,4-dimethylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]propyl]-5-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diid-5-yl]phenoxy]pentanamide;manganese(2+);tetraacetate

N[C@@H]1CCN(Cc2cn3c(C(=O)NCC45CC6CC(CC(C6)C4)C5)cccc3n2)C1

N-(1-adamantylmethyl)-2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxamide

Clc1ccc2c(c1)CC1(CCN(CCOc3ccccc3)C1)O2.OC1(Cc2cc(Cl)ccc2F)CCN(CCOc2ccccc2)C1.[H-].[Na+]

sodium;3-[(5-chloro-2-fluorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidin-3-ol;5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine];hydride

C.C.C.C.C.C.C.CCOC(=O)c1ccc(Oc2ccc3c(c2)COB3C)nc1OCC1CCCC1.CCOC(=O)c1ccc(Oc2ccc3c(c2)COB3O)cc1OCC1CC1.CCOC(=O)c1ccc(Oc2ccc3c(c2)COB3O)cc1OCC1CCCC1.CCOC(=O)c1ccc(Oc2ccc3c(c2)COB3O)nc1OCC1CC1.O=C(CO)c1ccc(Oc2ccc3c(c2)COB3O)cc1OCC1CC1.O=C(CO)c1ccc(Oc2ccc3c(c2)COB3O)cc1OCC1CCCC1.O=C(CO)c1ccc(Oc2ccc3c(c2)COB3O)nc1OCC1CC1.O=C(CO)c1ccc(Oc2ccc3c(c2)COB3O)nc1OCC1CCCC1

1-[2-(cyclopentylmethoxy)-4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]phenyl]-2-hydroxyethanone;1-[2-(cyclopentylmethoxy)-6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridin-3-yl]-2-hydroxyethanone;1-[2-(cyclopropylmethoxy)-4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]phenyl]-2-hydroxyethanone;1-[2-(cyclopropylmethoxy)-6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridin-3-yl]-2-hydroxyethanone;ethyl 2-(cyclopentylmethoxy)-4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzoate;ethyl 2-(cyclopentylmethoxy)-6-[(1-methyl-3H-2,1-benzoxaborol-5-yl)oxy]pyridine-3-carboxylate;ethyl 2-(cyclopropylmethoxy)-4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzoate;ethyl 2-(cyclopropylmethoxy)-6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine-3-carboxylate;methane

Cn1cc(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)c(-c2ccccc2)n1

[5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridin-3-yl]-piperidin-1-ylmethanone

CC(=O)/C=C/C1=C(/C=C/OCOP(=O)(ON=[N+]=[N-])ON=[N+]=[N-])CCC2C1CC[C@@]1(C)C2CC[C@@H]1OC(C)=O.[Na+]

sodium;[(3S,3aS)-7-[(E)-2-(diazidooxyphosphoryloxymethoxy)ethenyl]-3a-methyl-6-[(E)-3-oxobut-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl] acetate

c1cc(SC[C@H]2CCCN2)ncn1

4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine

CC(=O)OCc1ccc(C(=N)N)cc1

(4-carbamimidoylphenyl)methyl acetate

CC(=O)O[C@@H]1[C@@](CF)(COP(=O)(OCOC(=O)C(C)C)OCOC(O)C(C)C)O[C@@H](n2ccc(=O)n(COC(=O)C(N)C(C)C)c2=O)[C@]1(C)O

[3-[(2R,3R,4S,5R)-4-acetyloxy-5-(fluoromethyl)-3-hydroxy-5-[[(1-hydroxy-2-methylpropoxy)methoxy-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl]-3-methyloxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl 2-amino-3-methylbutanoate

CC1(C)Cc2nc(N=C(N)N)sc2C[C@@H]1c1ccccc1.O=CO

2-[(6S)-5,5-dimethyl-6-phenyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl]guanidine;formic acid

CS(=O)(=O)[N+]1(Cc2ccc(F)cc2)CCN(C(=O)C2CNc3ccccc3O2)C(Cl)C1

[2-chloro-4-[(4-fluorophenyl)methyl]-4-methylsulfonylpiperazin-4-ium-1-yl]-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanone

CCCN1C(=O)C(C(C)(C)C)=C(C(C)(C)C)CCS1(=O)=O

4,5-ditert-butyl-1,1-dioxo-2-propyl-6,7-dihydrothiazepin-3-one

CS(=O)(=O)N[C@@H]1CCCN(c2ccc(F)cc2C#N)C1

N-[(3R)-1-(2-cyano-4-fluorophenyl)piperidin-3-yl]methanesulfonamide

CCC1CCC(C)N1CCC(=O)Nc1cccc(N)c1C

N-(3-amino-2-methylphenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propanamide

CC#CCCNCc1ccc(OC)c2ccccc12

N-[(4-methoxynaphthalen-1-yl)methyl]pent-3-yn-1-amine

CC[C@@H](C(=O)N=O)N1CCCC1=O

(2S)-N-oxo-2-(2-oxopyrrolidin-1-yl)butanamide

COCc1nc(-c2ccc(NC(=O)c3cc(-c4ccccc4)n[nH]3)cc2)n[nH]1

N-[4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

COC(=O)c1c(CBr)cc(C#N)cc1SC(F)(F)F

methyl 2-(bromomethyl)-4-cyano-6-(trifluoromethylsulfanyl)benzoate

CNC1=CS(=O)(=O)C=C1N[C@@H](Cc1ccc(OCO)cc1)C(=O)OC(C)(C)C

tert-butyl (2S)-3-[4-(hydroxymethoxy)phenyl]-2-[[4-(methylamino)-1,1-dioxothiophen-3-yl]amino]propanoate

C[C@H](NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2

N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-tert-butylphenyl)quinoline-4-carboxamide

CCCC1NC(=O)N(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1=O

2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide

O=C(CCC(=O)c1ccccc1)O[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 4-oxo-4-phenylbutanoate

Cc1cccc(COc2ccc(/C(O)=C3\C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc56)s4)C3c3cccc(Cl)c3)cc2)c1

(4E)-5-(3-chlorophenyl)-4-[hydroxy-[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione

CCCCCn1cnnc1SCC(=O)Nc1ncc(Cl)cc1Cl

N-(3,5-dichloropyridin-2-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

CCC(C)(CO)C(=O)NC

2-(hydroxymethyl)-N,2-dimethylbutanamide

C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

(4S)-4-amino-5-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Clc1ncnc2[nH]c3ccccc3c12

4-chloro-9H-pyrimido[4,5-b]indole

CCOC(=O)n1cc(CO)nn1

ethyl 4-(hydroxymethyl)triazole-1-carboxylate

Cc1cc2c3c(c1)N(c1cccc4c1sc1ccccc14)c1cc4c(cc1B3c1ccc(N3c5ccc(C(C)(C)C)cc5C5(C)CCCCC35C)cc1N2c1cc2c(cc1C)C(C)(C)c1ccccc1C2(C)C)C(C)(C)CC4(C)C

5-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-14-dibenzothiophen-4-yl-11,18,18,20,20-pentamethyl-8-(3,9,9,10,10-pentamethylanthracen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaene

CCCCC1(Cc2ccc(S(=O)(=O)N(C)C(C)c3nn[nH]n3)cc2)N=C(Cl)C(CO)=N1

4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-2-yl]methyl]-N-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide

O=C(NC1(C(=O)N[C@@H](CC2CC2)C(=O)O)CCOC1)OCC1c2ccccc2-c2ccccc21

(2S)-3-cyclopropyl-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]propanoic acid

CCC(C#N)(CC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl

2-chloro-N-(3-cyanopentan-3-yl)-4-nitrobenzenesulfonamide

CC.CCC(C)(CC)/C(C)=C(/C=C(\C)C(C)(CC)CC)OC

(4Z,6E)-3,8-diethyl-5-methoxy-3,4,7,8-tetramethyldeca-4,6-diene;ethane

Cc1nc(CN2CCO[C@@H](Cn3cccn3)C2)no1

(2R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine

CN(c1c(N)cnc2ccc(Br)cc12)C1CCS(=O)(=O)C1

6-bromo-4-N-(1,1-dioxothiolan-3-yl)-4-N-methylquinoline-3,4-diamine