AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-25

SMILES stringlengths 2 908	IUPAC stringlengths 6 1.25k
CC(C)(C)OC(=O)N1CC(Oc2cc(F)ccc2F)C1	tert-butyl 3-(2,5-difluorophenoxy)azetidine-1-carboxylate
CC(F)CC[C@H](CO)Nc1nc(N)nc2cccnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(CC)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(O)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(C)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(C(F)(F)F)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(F)c(C)nc12	(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
C=CCOC(=O)NCC(=O)NCN1C(=O)CCC(N2C(=O)c3cccc(CNC(=O)CCCCCNC(=O)C[C@@H]4N=C(c5ccc(Cl)cc5)c5c(sc(C)c5C)-n5c(C)nnc54)c3C2=O)C1=O	prop-2-enyl N-[2-[[3-[4-[[6-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]hexanoylamino]methyl]-1,3-dioxoisoindol-2-yl]-2,6-dioxopiperidin-1-yl]methylamino]-2-oxoethyl]carbamate
CCOc1ccc(-c2nc(C(C)C)nc(N(C)CCOc3ccc(CC(OCC)C(=O)O)cc3)n2)cc1	2-ethoxy-3-[4-[2-[[4-(4-ethoxyphenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]-methylamino]ethoxy]phenyl]propanoic acid
NC(CF)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)C1CCOCC1	2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide
Cc1ccccc1N(c1ccc(-c2ccc3ccccc3c2)cc1)c1cc(C)c(-c2c(C)cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3C)cc2C)c(C)c1	4-[2,6-dimethyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-3,5-dimethyl-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CCCC(N)C(=O)NCCNc1ccccc1[N+](=O)[O-]	2-amino-N-[2-(2-nitroanilino)ethyl]pentanamide
Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)Cc2ccccc2F)[nH]n1	N-[(2-fluorophenyl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CCC(C)C(=O)C1CCC=C(C(C)CC)O1	1-(6-butan-2-yl-3,4-dihydro-2H-pyran-2-yl)-2-methylbutan-1-one
CCCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(COP(=O)(O)OCCN)C(O)/C=C/CCCCCCCCCCCCCCC	2-aminoethyl [(E)-3-hydroxy-2-[[(9Z,12Z)-nonadeca-9,12-dienoyl]amino]icos-4-enyl] hydrogen phosphate
Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)CO[C@H]2[C@@H]2CCCCC2=O)cc1	(2S)-2-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]cyclohexan-1-one
CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O	N-[(2R,3R,4R,5R,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
C[C@@H]1[C@@H](N=C(Nc2ccc3c(=O)n(CCc4ccc(Cl)cc4Cl)c(N4CC(O)C4)nc3c2)N2CC(O)C2)C[C@H]2C[C@@H]1C2(C)C	N-[3-[2-(2,4-dichlorophenyl)ethyl]-2-(3-hydroxyazetidin-1-yl)-4-oxoquinazolin-7-yl]-3-hydroxy-N'-[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]azetidine-1-carboximidamide
CC(C)c1ccc(CN2CCNCC2)cc1-c1ccccc1	1-[(3-phenyl-4-propan-2-ylphenyl)methyl]piperazine
Cc1cccc(C)c1N1C(=S)N[C@@H]2c3cc([N+](=O)[O-])ccc3O[C@]1(C)[C@@H]2C	(1S,9R,13R)-10-(2,6-dimethylphenyl)-9,13-dimethyl-4-nitro-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione
Cl.N#Cc1cc(Cl)ccc1CBr.N#Cc1cc(Cl)ccc1CN	2-(aminomethyl)-5-chlorobenzonitrile;2-(bromomethyl)-5-chlorobenzonitrile;hydrochloride
CCCc1c(NC)ncnc1N(C)CCc1ccccc1	4-N,6-N-dimethyl-4-N-(2-phenylethyl)-5-propylpyrimidine-4,6-diamine
COc1ccc(CCCCOc2ccc(SCc3nccs3)nc2/C=C/C(=O)O)cc1	(E)-3-[3-[4-(4-methoxyphenyl)butoxy]-6-(1,3-thiazol-2-ylmethylsulfanyl)pyridin-2-yl]prop-2-enoic acid
CC.CC.Cc1ccc(F)cc1.Cc1ccc(OC(F)(F)F)cc1	ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene
N=CN=C(N)c1ncc(C2COC(COCc3ccccc3)C2)[nH]1	N'-methanimidoyl-5-[5-(phenylmethoxymethyl)oxolan-3-yl]-1H-imidazole-2-carboximidamide
O=C(O)CC1CCCN(CC(O)c2ccc(-c3noc(-c4nc(-c5ccc(Cl)cc5)[nH]c4C(F)(F)F)n3)cc2)C1	2-[1-[2-[4-[5-[2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-hydroxyethyl]piperidin-3-yl]acetic acid
COc1cc(F)c(Br)cc1C(Cl)Cc1ccc(Cl)cc1	1-bromo-5-[1-chloro-2-(4-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C/S[C@H]3CCN(C=O)C3)CS[C@H]12)c1csc(N)n1	(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-2-[(3S)-1-formylpyrrolidin-3-yl]sulfanylethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
N=C1c2ccccc2CN1c1cccc(C(N)=O)c1	3-(3-imino-1H-isoindol-2-yl)benzamide
COc1cccc(C=NNC(=O)C(=CC=Cc2ccccc2)NC(=O)c2ccccc2)c1O	N-[1-[2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
O=C1C/C(=C\c2cncnc2)C(=O)N1c1ccccc1	(3E)-1-phenyl-3-(pyrimidin-5-ylmethylidene)pyrrolidine-2,5-dione
CN1CCN(c2ncnc(NCCC3=CCCCC3)c2N)CC1	4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CN(C#N)C(=O)C(CS(=O)(=O)Cc1ccccc1)NC(=O)c1ccsc1	N-[3-benzylsulfonyl-1-[cyano(methyl)amino]-1-oxopropan-2-yl]thiophene-3-carboxamide
CCc1ccc(OC(C)CC(C)Oc2ccc(CC)cc2Br)c(Br)c1.CCc1ccc([O-])c(Br)c1.C[C@H](C[C@H](C)OS(C)(=O)=O)OS(C)(=O)=O.[Na+]	sodium;2-bromo-1-[4-(2-bromo-4-ethylphenoxy)pentan-2-yloxy]-4-ethylbenzene;2-bromo-4-ethylphenolate;[(2S,4R)-4-methylsulfonyloxypentan-2-yl] methanesulfonate
CCNCc1ccc(S(=O)(=O)NCc2ccccc2Br)s1	N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CCCN(Cc1ccc(OC)cc1)C[C@H](O)Cc1ccccc1	(2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylpropan-2-ol
CCCCCCCCCCCCCCCCCCOC1(C)COCCOCCOCCOCCOC1	15-methyl-15-octadecoxy-1,4,7,10,13-pentaoxacyclohexadecane
c1cc2c(ccc3c4ccc5oc(N6CCCC6)cc5c4ccc23)c2cc(N3CCCC3)oc12	1-(19-pyrrolidin-1-yl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-yl)pyrrolidine
COC(=O)NC(C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5C=CCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C	methyl N-[1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2,5-dihydropyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CCOC(=O)C=C(N)C(OCC)OCC	ethyl 3-amino-4,4-diethoxybut-2-enoate
Nc1nc2scc([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)n2n1	[(2R,3R,4S,5S)-5-(2-amino-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
CCN1CCOC(CNc2c(Br)cccc2Br)C1	2,6-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]aniline
Cc1[nH]c(=O)nc(SCc2ccc(O)cc2)c1C(=O)O	4-[(4-hydroxyphenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CC(C)CCC(C)C(=O)OCC(F)(F)S(=O)(=O)O	2-(2,5-dimethylhexanoyloxy)-1,1-difluoroethanesulfonic acid
CC1c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)C)cc3)cc2C(C)C1C	4-(propan-2-ylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide
CC(C)(C)OC(=O)COCCOCCN=C(c1ccccc1)c1ccccc1.CCC(=O)OC(C)(C)C.NCCOCCOCC(=O)O.OCCOCCN=C(c1ccccc1)c1ccccc1	2-[2-(2-aminoethoxy)ethoxy]acetic acid;2-[2-(benzhydrylideneamino)ethoxy]ethanol;tert-butyl 2-[2-[2-(benzhydrylideneamino)ethoxy]ethoxy]acetate;tert-butyl propanoate
COc1ccc2ccccc2c1CN1CCCC12CCCN(C1CC1)C2=O	9-cyclopropyl-1-[(2-methoxynaphthalen-1-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
COc1ccc(CC(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1	N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]-2-(4-methoxyphenyl)acetamide
Cc1ccc(Nc2ccnc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1	(4-benzylpiperazin-1-yl)-[4-(4-methylanilino)pyridin-2-yl]methanone
C[C@H](Cl)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1	(2S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-chloropropanamide
Cc1cc2nn(CN3CCN(c4ccccc4)CC3)c(=S)n2c2ccccc12	5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoline-1-thione
COCC(CCO)NS(=O)(=O)C(F)(F)F	1,1,1-trifluoro-N-(4-hydroxy-1-methoxybutan-2-yl)methanesulfonamide
Cn1cc([C@H]2CNC[C@@H]2C(=O)NCCOc2ccc(Cl)cc2)cn1	(3R,4S)-N-[2-(4-chlorophenoxy)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
O=C(Nc1cc2c(Nc3ccc(OCc4cccnc4)c(Cl)c3)ncnc2cc1F)[C@@H]1CCCN1	(2S)-N-[4-[3-chloro-4-(pyridin-3-ylmethoxy)anilino]-7-fluoroquinazolin-6-yl]pyrrolidine-2-carboxamide
Cc1cnc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cn1	N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
CC(=O)OC[C@@H](O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)N[C@H]1[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5C[C@@H]6O[C@]7(CC[C@@H](C)CO7)[C@@H](C)[C@@H]6[C@@]5(C)CC[C@@H]43)C2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-[[(2R,3S,4R,5R)-2,3,4,6-tetraacetyloxy-5-hydroxyhexanoyl]amino]-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-2-yl]methyl acetate
Cc1ccsc1CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)CC1	1-[[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl]sulfonyl]-N-[2-(3-methylthiophen-2-yl)ethyl]piperidine-4-carboxamide
CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(N3CC(c4ccc(C(F)(F)F)cc4)CC[C@H]3CCOC(F)F)cc2)cc1	4-[(2S)-2-[2-(difluoromethoxy)ethyl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-N-[(4-ethylsulfonylphenyl)methyl]benzamide
CC(C)(N)C(C)(CC(=O)O)c1ccc2c(c1)OCCO2	4-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethylpentanoic acid
CCNc1cc(S(=O)(=O)NC2CCC(=O)NC2=O)ccn1	N-(2,6-dioxopiperidin-3-yl)-2-(ethylamino)pyridine-4-sulfonamide
Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)c(C)c1C	4-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2H-phthalazin-1-one
COc1cc2c(Oc3ccc(NC(=O)c4nccc(-c5ccc(C)cc5)n4)cc3F)ccnc2cc1OCCCN1CCCCC1	N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-(4-methylphenyl)pyrimidine-2-carboxamide
CC(C)(C)NS(=O)(=O)c1cc(Nc2nccs2)ccc1-c1cnc(-c2ccc(N)cc2)s1	2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(1,3-thiazol-2-ylamino)benzenesulfonamide
COc1cc([N+](=O)[O-])cc2c1OC1(Sc3ccccc3N1C)C(C(C)C)=C2	8'-methoxy-3-methyl-6'-nitro-3'-propan-2-ylspiro[1,3-benzothiazole-2,2'-chromene]
CCC1CC1NCc1cccc(OCC#N)c1	2-[3-[[(2-ethylcyclopropyl)amino]methyl]phenoxy]acetonitrile
Cc1ccc(NC(C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1	N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylanilino)propanamide
CCC(=O)c1c(O)cc(C(C)CC/C=C/NC)oc1=O.COC=O.Cc1ccc(OCC(C)C)cc1	4-hydroxy-6-[(E)-6-(methylamino)hex-5-en-2-yl]-3-propanoylpyran-2-one;methyl formate;1-methyl-4-(2-methylpropoxy)benzene
COc1ccc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)cc1NC(=O)Nc1ccc(C#N)cc1	1-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-methoxyphenyl]-3-(4-cyanophenyl)urea
CCCC1OC2C=C3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(C(=O)CO)O1	11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-2,14,17-trien-16-one
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(Br)n2)s1	2-[(6-bromopyridin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
COc1ccc(C2=NN(Cc3cccnc3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC	(4aR,8aS)-4-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one
COc1cccc(C(=O)Nc2ccc(Nc3ccccc3OC)cn2)c1	3-methoxy-N-[5-(2-methoxyanilino)pyridin-2-yl]benzamide
C=C(NCCCCC(=O)Cc1cc(C(F)(F)F)cc(CC(=O)Cc2cccc(Oc3cc(NC(=C)NC(=O)OC(C)(C)C)cc(C(F)(F)F)c3)c2)c1SCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C	tert-butyl N-[2-[2-[6-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]-2-oxohexyl]-6-[3-[3-[3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]-5-(trifluoromethyl)phenoxy]phenyl]-2-oxopropyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]carbamate
Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)cc2)c1C	N-(2,3-dimethylphenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CCC(C)C(C)CC1CCCCCCCCCCC2CC2CC1	4-(2,3-dimethylpentyl)bicyclo[13.1.0]hexadecane
Ic1cccc(CN(c2ccccc2)C2CC2)c1.c1ccc(NC2CC2)cc1	N-cyclopropylaniline;N-cyclopropyl-N-[(3-iodophenyl)methyl]aniline
COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H]2CNC(=O)C2)C(=O)N[C@@H](CC2CCCC2c2cc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H]3CNC(=O)C3)C(=O)N[C@@H](CC3CCCC3)C(=O)[C@@]3(C)CO3)ccc2OC)C(=O)[C@@]2(C)CO2)cc1	(3S)-N-[(2R)-1-[[(2S)-1-[[(2S)-3-[2-[5-[(2S)-3-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-oxo-2-[[(2R)-2-[[(3R)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propyl]-2-methoxyphenyl]cyclopentyl]-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide
COc1ccc(N2CCN(C(=O)CC(OC(N)O)c3ccccc3)CC2)cc1OC	3-[amino(hydroxy)methoxy]-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CCCCOC(CCC)COCCCCCCCCCCCCCCC1CC1	14-(2-butoxypentoxy)tetradecylcyclopropane
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(Br)c1)N(CCCN1CCOCC1)C3=O	(1S)-1-(3-bromophenyl)-6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
Cc1nnc(SCc2nc3ccccc3c3nc(=O)c(-c4ccccc4)nn23)s1	6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-phenyl-[1,2,4]triazino[2,3-c]quinazolin-2-one
CC1(C)OB(c2cnc(-c3ccccn3)[nH]2)OC1(C)C	2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazol-2-yl]pyridine
COc1ccc([C@H](O)C(=O)N2CCc3nc(-c4ccccc4)[nH]c3C2)cc1	(2S)-2-hydroxy-2-(4-methoxyphenyl)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(C)nn3-c3nc(-c4ccco4)cs3)n(C)n2)c1	5-(2,5-dimethoxyphenyl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-methylpyrazole-3-carboxamide
Cc1cc(C(=O)Nc2cccn(CC(=O)N[C@H](/C=C/C(=O)OCc3ccccc3)CC3CCNC3=O)c2=O)no1	benzyl (E,4S)-4-[[2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxopyridin-1-yl]acetyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
CC(C)C[C@@H]1C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N(C)[C@H](C2OCC[C@H]2C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)C[C@@H](C)C(=O)N1C	(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,19,22,25,28,30,33-decamethyl-18-[(3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCCCCCCCCCC	[32-(1,3-dihydroxyoctacosan-2-ylamino)-32-oxodotriacontyl] (Z)-octadec-9-enoate
CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S,4R)-1-[(2S,4R)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid
Cc1cc(F)ccc1C(=O)c1cnccc1C(F)(F)F	(4-fluoro-2-methylphenyl)-[4-(trifluoromethyl)pyridin-3-yl]methanone
O=S(=O)(Nc1cc(O)cc(Cl)c1)c1ccccc1	N-(3-chloro-5-hydroxyphenyl)benzenesulfonamide
N#CC=C1CCN(c2ccc(C(O)C(F)(F)F)cc2)CC1	2-[1-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]piperidin-4-ylidene]acetonitrile
COCOc1ccc(C(O)CC(=O)OC)cc1OC	methyl 3-hydroxy-3-[3-methoxy-4-(methoxymethoxy)phenyl]propanoate
O=C(NSCCSc1cccc(Br)c1)Nc1ccc(NC(=O)c2ccccc2F)cc1	N-[4-[2-(3-bromophenyl)sulfanylethylsulfanylcarbamoylamino]phenyl]-2-fluorobenzamide
COC(CNCCCOC(C)C)OC	N-(2,2-dimethoxyethyl)-3-propan-2-yloxypropan-1-amine
CC(C)N1CCN(C2CN(c3cnccn3)C2)CC1	2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine
COC(=O)CC=Cc1cnc(N)c(F)c1	methyl 4-(6-amino-5-fluoropyridin-3-yl)but-3-enoate
O=C(O)C(CO)Sc1ccc2c(c1)OCCO2	2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-hydroxypropanoic acid
COC(=O)C1CCCN1CC(=O)Nc1ccc(Cl)cc1	methyl 1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CC(O)CCN(C)C(=O)c1csc(-c2ccc(F)c(F)c2)n1	2-(3,4-difluorophenyl)-N-(3-hydroxybutyl)-N-methyl-1,3-thiazole-4-carboxamide
COC(=O)c1cccc(-c2ccc(NC(=O)[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)c1	methyl 3-[4-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carbonyl]amino]phenyl]benzoate
O=C(CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1cncc(C(=O)O)c1	5-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]pyridine-3-carboxylic acid
CSCCCCn1c(=O)c(=O)[nH]c2c(C(=O)O)cccc21	1-(4-methylsulfanylbutyl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid
O=C(NCCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1cc(F)ccc1Br	2-bromo-5-fluoro-N-[3-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide
CC1=C(/C=C/C(=O)/C=C/c2cccnc2)C(C)(C)CCC1	(1E,4E)-1-pyridin-3-yl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one
O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1	1-(4-nitrophenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide

CC(C)(C)OC(=O)N1CC(Oc2cc(F)ccc2F)C1

tert-butyl 3-(2,5-difluorophenoxy)azetidine-1-carboxylate

CC(F)CC[C@H](CO)Nc1nc(N)nc2cccnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(CC)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(O)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(C)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(C(F)(F)F)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(F)c(C)nc12

(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol

C=CCOC(=O)NCC(=O)NCN1C(=O)CCC(N2C(=O)c3cccc(CNC(=O)CCCCCNC(=O)C[C@@H]4N=C(c5ccc(Cl)cc5)c5c(sc(C)c5C)-n5c(C)nnc54)c3C2=O)C1=O

prop-2-enyl N-[2-[[3-[4-[[6-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]hexanoylamino]methyl]-1,3-dioxoisoindol-2-yl]-2,6-dioxopiperidin-1-yl]methylamino]-2-oxoethyl]carbamate

CCOc1ccc(-c2nc(C(C)C)nc(N(C)CCOc3ccc(CC(OCC)C(=O)O)cc3)n2)cc1

2-ethoxy-3-[4-[2-[[4-(4-ethoxyphenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]-methylamino]ethoxy]phenyl]propanoic acid

NC(CF)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)C1CCOCC1

2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide

Cc1ccccc1N(c1ccc(-c2ccc3ccccc3c2)cc1)c1cc(C)c(-c2c(C)cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3C)cc2C)c(C)c1

4-[2,6-dimethyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-3,5-dimethyl-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline

CCCC(N)C(=O)NCCNc1ccccc1[N+](=O)[O-]

2-amino-N-[2-(2-nitroanilino)ethyl]pentanamide

Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)Cc2ccccc2F)[nH]n1

N-[(2-fluorophenyl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

CCC(C)C(=O)C1CCC=C(C(C)CC)O1

1-(6-butan-2-yl-3,4-dihydro-2H-pyran-2-yl)-2-methylbutan-1-one

CCCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(COP(=O)(O)OCCN)C(O)/C=C/CCCCCCCCCCCCCCC

2-aminoethyl [(E)-3-hydroxy-2-[[(9Z,12Z)-nonadeca-9,12-dienoyl]amino]icos-4-enyl] hydrogen phosphate

Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)CO[C@H]2[C@@H]2CCCCC2=O)cc1

(2S)-2-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]cyclohexan-1-one

CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O

N-[(2R,3R,4R,5R,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C[C@@H]1[C@@H](N=C(Nc2ccc3c(=O)n(CCc4ccc(Cl)cc4Cl)c(N4CC(O)C4)nc3c2)N2CC(O)C2)C[C@H]2C[C@@H]1C2(C)C

N-[3-[2-(2,4-dichlorophenyl)ethyl]-2-(3-hydroxyazetidin-1-yl)-4-oxoquinazolin-7-yl]-3-hydroxy-N'-[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]azetidine-1-carboximidamide

CC(C)c1ccc(CN2CCNCC2)cc1-c1ccccc1

1-[(3-phenyl-4-propan-2-ylphenyl)methyl]piperazine

Cc1cccc(C)c1N1C(=S)N[C@@H]2c3cc([N+](=O)[O-])ccc3O[C@]1(C)[C@@H]2C

(1S,9R,13R)-10-(2,6-dimethylphenyl)-9,13-dimethyl-4-nitro-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione

Cl.N#Cc1cc(Cl)ccc1CBr.N#Cc1cc(Cl)ccc1CN

2-(aminomethyl)-5-chlorobenzonitrile;2-(bromomethyl)-5-chlorobenzonitrile;hydrochloride

CCCc1c(NC)ncnc1N(C)CCc1ccccc1

4-N,6-N-dimethyl-4-N-(2-phenylethyl)-5-propylpyrimidine-4,6-diamine

COc1ccc(CCCCOc2ccc(SCc3nccs3)nc2/C=C/C(=O)O)cc1

(E)-3-[3-[4-(4-methoxyphenyl)butoxy]-6-(1,3-thiazol-2-ylmethylsulfanyl)pyridin-2-yl]prop-2-enoic acid

CC.CC.Cc1ccc(F)cc1.Cc1ccc(OC(F)(F)F)cc1

ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene

N=CN=C(N)c1ncc(C2COC(COCc3ccccc3)C2)[nH]1

N'-methanimidoyl-5-[5-(phenylmethoxymethyl)oxolan-3-yl]-1H-imidazole-2-carboximidamide

O=C(O)CC1CCCN(CC(O)c2ccc(-c3noc(-c4nc(-c5ccc(Cl)cc5)[nH]c4C(F)(F)F)n3)cc2)C1

2-[1-[2-[4-[5-[2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-hydroxyethyl]piperidin-3-yl]acetic acid

COc1cc(F)c(Br)cc1C(Cl)Cc1ccc(Cl)cc1

1-bromo-5-[1-chloro-2-(4-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzene

CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C/S[C@H]3CCN(C=O)C3)CS[C@H]12)c1csc(N)n1

(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-2-[(3S)-1-formylpyrrolidin-3-yl]sulfanylethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

N=C1c2ccccc2CN1c1cccc(C(N)=O)c1

3-(3-imino-1H-isoindol-2-yl)benzamide

COc1cccc(C=NNC(=O)C(=CC=Cc2ccccc2)NC(=O)c2ccccc2)c1O

N-[1-[2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

O=C1C/C(=C\c2cncnc2)C(=O)N1c1ccccc1

(3E)-1-phenyl-3-(pyrimidin-5-ylmethylidene)pyrrolidine-2,5-dione

CN1CCN(c2ncnc(NCCC3=CCCCC3)c2N)CC1

4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine

CN(C#N)C(=O)C(CS(=O)(=O)Cc1ccccc1)NC(=O)c1ccsc1

N-[3-benzylsulfonyl-1-[cyano(methyl)amino]-1-oxopropan-2-yl]thiophene-3-carboxamide

CCc1ccc(OC(C)CC(C)Oc2ccc(CC)cc2Br)c(Br)c1.CCc1ccc([O-])c(Br)c1.C[C@H](C[C@H](C)OS(C)(=O)=O)OS(C)(=O)=O.[Na+]

sodium;2-bromo-1-[4-(2-bromo-4-ethylphenoxy)pentan-2-yloxy]-4-ethylbenzene;2-bromo-4-ethylphenolate;[(2S,4R)-4-methylsulfonyloxypentan-2-yl] methanesulfonate

CCNCc1ccc(S(=O)(=O)NCc2ccccc2Br)s1

N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide

CCCN(Cc1ccc(OC)cc1)C[C@H](O)Cc1ccccc1

(2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylpropan-2-ol

CCCCCCCCCCCCCCCCCCOC1(C)COCCOCCOCCOCCOC1

15-methyl-15-octadecoxy-1,4,7,10,13-pentaoxacyclohexadecane

c1cc2c(ccc3c4ccc5oc(N6CCCC6)cc5c4ccc23)c2cc(N3CCCC3)oc12

1-(19-pyrrolidin-1-yl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-yl)pyrrolidine

COC(=O)NC(C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5C=CCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C

methyl N-[1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2,5-dihydropyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

CCOC(=O)C=C(N)C(OCC)OCC

ethyl 3-amino-4,4-diethoxybut-2-enoate

Nc1nc2scc([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)n2n1

[(2R,3R,4S,5S)-5-(2-amino-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate

CCN1CCOC(CNc2c(Br)cccc2Br)C1

2,6-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]aniline

Cc1[nH]c(=O)nc(SCc2ccc(O)cc2)c1C(=O)O

4-[(4-hydroxyphenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid

CC(C)CCC(C)C(=O)OCC(F)(F)S(=O)(=O)O

2-(2,5-dimethylhexanoyloxy)-1,1-difluoroethanesulfonic acid

CC1c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)C)cc3)cc2C(C)C1C

4-(propan-2-ylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide

CC(C)(C)OC(=O)COCCOCCN=C(c1ccccc1)c1ccccc1.CCC(=O)OC(C)(C)C.NCCOCCOCC(=O)O.OCCOCCN=C(c1ccccc1)c1ccccc1

2-[2-(2-aminoethoxy)ethoxy]acetic acid;2-[2-(benzhydrylideneamino)ethoxy]ethanol;tert-butyl 2-[2-[2-(benzhydrylideneamino)ethoxy]ethoxy]acetate;tert-butyl propanoate

COc1ccc2ccccc2c1CN1CCCC12CCCN(C1CC1)C2=O

9-cyclopropyl-1-[(2-methoxynaphthalen-1-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one

COc1ccc(CC(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1

N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]-2-(4-methoxyphenyl)acetamide

Cc1ccc(Nc2ccnc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1

(4-benzylpiperazin-1-yl)-[4-(4-methylanilino)pyridin-2-yl]methanone

C[C@H](Cl)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1

(2S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-chloropropanamide

Cc1cc2nn(CN3CCN(c4ccccc4)CC3)c(=S)n2c2ccccc12

5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoline-1-thione

COCC(CCO)NS(=O)(=O)C(F)(F)F

1,1,1-trifluoro-N-(4-hydroxy-1-methoxybutan-2-yl)methanesulfonamide

Cn1cc([C@H]2CNC[C@@H]2C(=O)NCCOc2ccc(Cl)cc2)cn1

(3R,4S)-N-[2-(4-chlorophenoxy)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

O=C(Nc1cc2c(Nc3ccc(OCc4cccnc4)c(Cl)c3)ncnc2cc1F)[C@@H]1CCCN1

(2S)-N-[4-[3-chloro-4-(pyridin-3-ylmethoxy)anilino]-7-fluoroquinazolin-6-yl]pyrrolidine-2-carboxamide

Cc1cnc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cn1

N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-5-methylpyrazine-2-carboxamide

CC(=O)OC[C@@H](O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)N[C@H]1[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5C[C@@H]6O[C@]7(CC[C@@H](C)CO7)[C@@H](C)[C@@H]6[C@@]5(C)CC[C@@H]43)C2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-[[(2R,3S,4R,5R)-2,3,4,6-tetraacetyloxy-5-hydroxyhexanoyl]amino]-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-2-yl]methyl acetate

Cc1ccsc1CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)CC1

1-[[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl]sulfonyl]-N-[2-(3-methylthiophen-2-yl)ethyl]piperidine-4-carboxamide

CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(N3CC(c4ccc(C(F)(F)F)cc4)CC[C@H]3CCOC(F)F)cc2)cc1

4-[(2S)-2-[2-(difluoromethoxy)ethyl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-N-[(4-ethylsulfonylphenyl)methyl]benzamide

CC(C)(N)C(C)(CC(=O)O)c1ccc2c(c1)OCCO2

4-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethylpentanoic acid

CCNc1cc(S(=O)(=O)NC2CCC(=O)NC2=O)ccn1

N-(2,6-dioxopiperidin-3-yl)-2-(ethylamino)pyridine-4-sulfonamide

Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)c(C)c1C

4-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2H-phthalazin-1-one

COc1cc2c(Oc3ccc(NC(=O)c4nccc(-c5ccc(C)cc5)n4)cc3F)ccnc2cc1OCCCN1CCCCC1

N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-(4-methylphenyl)pyrimidine-2-carboxamide

CC(C)(C)NS(=O)(=O)c1cc(Nc2nccs2)ccc1-c1cnc(-c2ccc(N)cc2)s1

2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(1,3-thiazol-2-ylamino)benzenesulfonamide

COc1cc([N+](=O)[O-])cc2c1OC1(Sc3ccccc3N1C)C(C(C)C)=C2

8'-methoxy-3-methyl-6'-nitro-3'-propan-2-ylspiro[1,3-benzothiazole-2,2'-chromene]

CCC1CC1NCc1cccc(OCC#N)c1

2-[3-[[(2-ethylcyclopropyl)amino]methyl]phenoxy]acetonitrile

Cc1ccc(NC(C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylanilino)propanamide

CCC(=O)c1c(O)cc(C(C)CC/C=C/NC)oc1=O.COC=O.Cc1ccc(OCC(C)C)cc1

4-hydroxy-6-[(E)-6-(methylamino)hex-5-en-2-yl]-3-propanoylpyran-2-one;methyl formate;1-methyl-4-(2-methylpropoxy)benzene

COc1ccc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)cc1NC(=O)Nc1ccc(C#N)cc1

1-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-methoxyphenyl]-3-(4-cyanophenyl)urea

CCCC1OC2C=C3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(C(=O)CO)O1

11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-2,14,17-trien-16-one

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(Br)n2)s1

2-[(6-bromopyridin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

COc1ccc(C2=NN(Cc3cccnc3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC

(4aR,8aS)-4-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one

COc1cccc(C(=O)Nc2ccc(Nc3ccccc3OC)cn2)c1

3-methoxy-N-[5-(2-methoxyanilino)pyridin-2-yl]benzamide

C=C(NCCCCC(=O)Cc1cc(C(F)(F)F)cc(CC(=O)Cc2cccc(Oc3cc(NC(=C)NC(=O)OC(C)(C)C)cc(C(F)(F)F)c3)c2)c1SCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

tert-butyl N-[2-[2-[6-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]-2-oxohexyl]-6-[3-[3-[3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]-5-(trifluoromethyl)phenoxy]phenyl]-2-oxopropyl]-4-(trifluoromethyl)phenyl]sulfanylethyl]carbamate

Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)cc2)c1C

N-(2,3-dimethylphenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide

CCC(C)C(C)CC1CCCCCCCCCCC2CC2CC1

4-(2,3-dimethylpentyl)bicyclo[13.1.0]hexadecane

Ic1cccc(CN(c2ccccc2)C2CC2)c1.c1ccc(NC2CC2)cc1

N-cyclopropylaniline;N-cyclopropyl-N-[(3-iodophenyl)methyl]aniline

COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H]2CNC(=O)C2)C(=O)N[C@@H](CC2CCCC2c2cc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H]3CNC(=O)C3)C(=O)N[C@@H](CC3CCCC3)C(=O)[C@@]3(C)CO3)ccc2OC)C(=O)[C@@]2(C)CO2)cc1

(3S)-N-[(2R)-1-[[(2S)-1-[[(2S)-3-[2-[5-[(2S)-3-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-oxo-2-[[(2R)-2-[[(3R)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propyl]-2-methoxyphenyl]cyclopentyl]-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide

COc1ccc(N2CCN(C(=O)CC(OC(N)O)c3ccccc3)CC2)cc1OC

3-[amino(hydroxy)methoxy]-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one

CCCCOC(CCC)COCCCCCCCCCCCCCCC1CC1

14-(2-butoxypentoxy)tetradecylcyclopropane

Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(Br)c1)N(CCCN1CCOCC1)C3=O

(1S)-1-(3-bromophenyl)-6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

Cc1nnc(SCc2nc3ccccc3c3nc(=O)c(-c4ccccc4)nn23)s1

6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-phenyl-[1,2,4]triazino[2,3-c]quinazolin-2-one

CC1(C)OB(c2cnc(-c3ccccn3)[nH]2)OC1(C)C

2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazol-2-yl]pyridine

COc1ccc([C@H](O)C(=O)N2CCc3nc(-c4ccccc4)[nH]c3C2)cc1

(2S)-2-hydroxy-2-(4-methoxyphenyl)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone

COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(C)nn3-c3nc(-c4ccco4)cs3)n(C)n2)c1

5-(2,5-dimethoxyphenyl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-methylpyrazole-3-carboxamide

Cc1cc(C(=O)Nc2cccn(CC(=O)N[C@H](/C=C/C(=O)OCc3ccccc3)CC3CCNC3=O)c2=O)no1

benzyl (E,4S)-4-[[2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxopyridin-1-yl]acetyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate

CC(C)C[C@@H]1C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N(C)[C@H](C2OCC[C@H]2C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)C[C@@H](C)C(=O)N1C

(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,19,22,25,28,30,33-decamethyl-18-[(3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCCCCCCCCCC

[32-(1,3-dihydroxyoctacosan-2-ylamino)-32-oxodotriacontyl] (Z)-octadec-9-enoate

CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S,4R)-1-[(2S,4R)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid

Cc1cc(F)ccc1C(=O)c1cnccc1C(F)(F)F

(4-fluoro-2-methylphenyl)-[4-(trifluoromethyl)pyridin-3-yl]methanone

O=S(=O)(Nc1cc(O)cc(Cl)c1)c1ccccc1

N-(3-chloro-5-hydroxyphenyl)benzenesulfonamide

N#CC=C1CCN(c2ccc(C(O)C(F)(F)F)cc2)CC1

2-[1-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]piperidin-4-ylidene]acetonitrile

COCOc1ccc(C(O)CC(=O)OC)cc1OC

methyl 3-hydroxy-3-[3-methoxy-4-(methoxymethoxy)phenyl]propanoate

O=C(NSCCSc1cccc(Br)c1)Nc1ccc(NC(=O)c2ccccc2F)cc1

N-[4-[2-(3-bromophenyl)sulfanylethylsulfanylcarbamoylamino]phenyl]-2-fluorobenzamide

COC(CNCCCOC(C)C)OC

N-(2,2-dimethoxyethyl)-3-propan-2-yloxypropan-1-amine

CC(C)N1CCN(C2CN(c3cnccn3)C2)CC1

2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine

COC(=O)CC=Cc1cnc(N)c(F)c1

methyl 4-(6-amino-5-fluoropyridin-3-yl)but-3-enoate

O=C(O)C(CO)Sc1ccc2c(c1)OCCO2

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-hydroxypropanoic acid

COC(=O)C1CCCN1CC(=O)Nc1ccc(Cl)cc1

methyl 1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylate

CC(O)CCN(C)C(=O)c1csc(-c2ccc(F)c(F)c2)n1

2-(3,4-difluorophenyl)-N-(3-hydroxybutyl)-N-methyl-1,3-thiazole-4-carboxamide

COC(=O)c1cccc(-c2ccc(NC(=O)[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)c1

methyl 3-[4-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carbonyl]amino]phenyl]benzoate

O=C(CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1cncc(C(=O)O)c1

5-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]pyridine-3-carboxylic acid

CSCCCCn1c(=O)c(=O)[nH]c2c(C(=O)O)cccc21

1-(4-methylsulfanylbutyl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid

O=C(NCCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1cc(F)ccc1Br

2-bromo-5-fluoro-N-[3-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide

CC1=C(/C=C/C(=O)/C=C/c2cccnc2)C(C)(C)CCC1

(1E,4E)-1-pyridin-3-yl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one

O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1

1-(4-nitrophenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide