SMILES
stringlengths 2
751
| IUPAC
stringlengths 6
1.43k
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CC1(C)OC2C3C=CC(C)(C2O1)C1C(=O)CCC31
|
4,4,7-trimethyl-3,5-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-9-one
|
CC(Cc1ccccc1)NC(=O)C1CC(O)CN1
|
4-hydroxy-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide
|
NC(N)=NCCNC(=O)c1cccc(-c2cccc(NC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2)c1
|
3-[3-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]phenyl]-N-[2-(diaminomethylideneamino)ethyl]benzamide
|
C=COC(=O)/C=C/c1ccccc1.O=C(CCc1ccccc1)OCc1ccccc1.O=CCCc1ccccc1
|
benzyl 3-phenylpropanoate;ethenyl (E)-3-phenylprop-2-enoate;3-phenylpropanal
|
COC(=O)[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)[C@@H](C(=O)OC)C1
|
dimethyl (2R,4S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]piperidine-2,4-dicarboxylate
|
Cc1ccccc1OCC(O)CN(Cc1ccc(F)cc1F)CC(C)C
|
1-[(2,4-difluorophenyl)methyl-(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
|
CCC(OC)C1(C(N)C(=O)O)CC1
|
2-amino-2-[1-(1-methoxypropyl)cyclopropyl]acetic acid
|
CC1CC(Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1Cl
|
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-chlorophenyl)methanone
|
CC(C)(C)C1=CCCCC1.CC(C)(C)C1=CCCCC1.CC(C)(C)C1=CCCCC1.CC(C)(C)C1C=CCCC1.CC(C)(C)C1C=CCCC1.CC(C)(C)C1CC2CCCC2C1.CC(C)(C)C1CC=CCC1.CC(C)(C)C1CC=CCC1.CC(C)(C)C1CCC2CCCC21.CC(C)(C)C1CCC2CCCCC21.CC(C)(C)C1CCC2CCCCC21.CC(C)(C)C1CCC2CCCCC21.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1
|
1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;2-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;tert-butylcycloheptane;tert-butylcyclohexane;1-tert-butylcyclohexene;3-tert-butylcyclohexene;4-tert-butylcyclohexene;tert-butylcyclopentane
|
COc1cnc(C(F)F)c(C)c1CC(=O)O
|
2-[2-(difluoromethyl)-5-methoxy-3-methylpyridin-4-yl]acetic acid
|
CCC(C)C1NC(=O)C2CCCN2C(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)CC)OC(=O)C(C(C)(C)O)N(C)C(=O)C(CC(C)C)NC(=O)C(C(C)C)N(C)C1=O
|
6-benzyl-12,24-di(butan-2-yl)-3-[(4-hydroxyphenyl)methyl]-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18-(2-methylpropyl)-9,21-di(propan-2-yl)-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone
|
COc1ncc(-c2cc(-c3ncc(CN4C[C@H](C)C[C@H](C)C4)o3)c3cn[nH]c3c2)cc1NS(C)(=O)=O
|
N-[5-[4-[5-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxypyridin-3-yl]methanesulfonamide
|
Cc1cc(C)cc(C(Cc2c(Cl)c(C)nn2C)NN)c1
|
[2-(4-chloro-2,5-dimethylpyrazol-3-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine
|
CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCOCC3)c2O)c(=O)n(Cc2ccccc2)[nH]c1=O)c1ccccc1
|
2-benzyl-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]-5-[[(1R)-1-phenylpropyl]amino]-1H-pyridazine-3,6-dione
|
O=C(Nc1cc2c(cc1Cl)OCCO2)c1c2c(nc3ccccc13)CCC2
|
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
|
COC(=O)/C(=C/c1ccncc1)c1ccccc1C(=O)O
|
2-[(E)-3-methoxy-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzoic acid
|
CC1CCCCN1CCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccco2)CC1
|
2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
|
N#Cc1cccc2c1SCN=C2
|
2H-1,3-benzothiazine-8-carbonitrile
|
NC1=C([N+](=O)[O-])[C@@H](c2ccccc2)[C@H]([N+](=O)[O-])C(N2CCCCC2)=N1
|
(3S,4S)-3,5-dinitro-4-phenyl-2-piperidin-1-yl-3,4-dihydropyridin-6-amine
|
Cn1c(=O)c2c(nc(N3CCN(C(=O)CCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)n2Cc2nnc(-c3ccc(O)c(Cl)c3)o2)n(C)c1=O
|
7-[[5-(3-chloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-8-[4-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperazin-1-yl]-1,3-dimethylpurine-2,6-dione
|
O=C(COc1ccc(Cl)cc1)NCCOc1ccc(F)cc1Cl
|
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
|
Cc1noc(C)c1CCNC(=O)c1ccc(O)c2[nH]c(-c3ccco3)nc12
|
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(furan-2-yl)-7-hydroxy-1H-benzimidazole-4-carboxamide
|
Fc1ncc(Cl)cc1OC1CC1
|
5-chloro-3-cyclopropyloxy-2-fluoropyridine
|
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)cc12
|
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carboxamide
|
CC(O)c1nnc(Cn2c(SCc3ccc(F)cc3)nc(=O)c3c2CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
|
2-[(4-fluorophenyl)methylsulfanyl]-1-[[5-(1-hydroxyethyl)-4-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
|
COc1ccc(C=Nc2cc(Cl)c(N)c(Cl)c2)cc1
|
2,6-dichloro-4-[(4-methoxyphenyl)methylideneamino]aniline
|
COC(=O)[C@H](CC1CC1)NC(=O)/C=C/c1ccc(Cl)cc1F
|
methyl (2S)-2-[[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]amino]-3-cyclopropylpropanoate
|
COCCN1C[C@@H](C(=O)N(C)Cc2ccc(C)o2)CC1=O
|
(3S)-1-(2-methoxyethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
|
c1csc(COCC2CCC3C2OCCN3Cc2ccsc2)n1
|
7-(1,3-thiazol-2-ylmethoxymethyl)-4-(thiophen-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
|
NCCNC(=O)COc1ccc(-c2ccccc2)cc1
|
N-(2-aminoethyl)-2-(4-phenylphenoxy)acetamide
|
C=CCC(C(=O)S)N(C)[Si](C)(C)C
|
2-[methyl(trimethylsilyl)amino]pent-4-enethioic S-acid
|
C=Nc1nc(NC)c(Cl)nc1C(=O)NC(N)=N[C@@H]1C[N+]2(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)CCC1CC2
|
(2S)-2-[[2-[(3S)-3-[[amino-[[6-chloro-5-(methylamino)-3-(methylideneamino)pyrazine-2-carbonyl]amino]methylidene]amino]-1-azoniabicyclo[2.2.2]octan-1-yl]acetyl]amino]-3-phenylpropanoic acid
|
Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)c2cc3[nH]c4ccccc4c3cc2-c2cc3c(cc21)oc1ccccc13.CC1(C)c2cc3oc4ccccc4c3cc2-c2cc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21
|
2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
|
CC(C)(C)[C@H](NC(=O)N[C@H](CN1Cc2ccccc2C1=O)C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C
|
(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(3-oxo-1H-isoindol-2-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
|
COC(=O)Cc1ccc2cc(SC)ccc2c1O
|
methyl 2-(1-hydroxy-6-methylsulfanylnaphthalen-2-yl)acetate
|
O=C(O)c1cccc(CNC(=O)N2CCCNCC2)c1
|
3-[(1,4-diazepane-1-carbonylamino)methyl]benzoic acid
|
Cc1nnc(SCC(=O)N2CCc3sccc3C2c2cccs2)n1Cc1ccccc1
|
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
|
CCNC(=NCc1ccc(C(N)=O)o1)NCC(c1cccs1)N1CCOC(C)C1.I
|
5-[[[ethylamino-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]methylidene]amino]methyl]furan-2-carboxamide;hydroiodide
|
C#CCC(NC(=O)NCC1(C2CC2)CC1)C(=O)O
|
2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]pent-4-ynoic acid
|
CCCCN(Cc1ccccc1)C(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)Cc1cccnc1
|
3-[[2-[2-[benzyl(butyl)carbamoyl]phenyl]benzoyl]-(pyridin-3-ylmethyl)amino]propanoic acid
|
CCOC(=O)[C@@H](C)Oc1c(Cl)cccc1Cl
|
ethyl (2R)-2-(2,6-dichlorophenoxy)propanoate
|
CC1C2C3C4CC5C6C7CC8C9C%10C(C)C%11(C)C%12(C)C1(C)C21C32C54C63C78C94C%10%11C%121C324
|
1,2,14,15,16-pentamethylhexadecacyclo[11.3.3.34,8.39,18.03,17.015,19.016,18.05,24.07,24.011,22.012,21.017,25.019,21.020,23.020,25.022,23]pentacosane
|
CC(N)CCCNc1ncnc2nc[nH]c12
|
1-N-(7H-purin-6-yl)pentane-1,4-diamine
|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=[N+]([O-])CCC[C@]4(C)[C@H]3CC[C@]12C
|
(1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-6-oxido-2,3,3a,3b,7,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-ium
|
CCc1nnc(-c2nnc(NCCCN3CCN(C)CC3)c3ccccc23)o1
|
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]phthalazin-1-amine
|
O=C(O)CC1CCCN1C(=O)CSCc1cccs1
|
2-[1-[2-(thiophen-2-ylmethylsulfanyl)acetyl]pyrrolidin-2-yl]acetic acid
|
CCCN1CCc2c(c(-c3ccc(OCC)cc3OCC)nc3ccc4ccccc4c23)C1
|
5-(2,4-diethoxyphenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
|
CC(=NNC(=O)CCC(=O)Nc1ccc(Br)cc1)c1ccc(C)cc1
|
N-(4-bromophenyl)-N'-[1-(4-methylphenyl)ethylideneamino]butanediamide
|
CC(C)(C)OC(=O)C(=O)CC(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
|
tert-butyl 4-diphenylphosphoryl-2-oxo-4-phenylbutanoate
|
C/C=C\C=C(/C)n1cc(-c2cccc3c2N[C@H](C)CC(=O)N3)cn1
|
(4R)-6-[1-[(2E,4Z)-hexa-2,4-dien-2-yl]pyrazol-4-yl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
|
CCOc1cc(N2CCOCC2)c(OCC)cc1N1CCCC1
|
4-(2,5-diethoxy-4-pyrrolidin-1-ylphenyl)morpholine
|
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@]2(O)CNc1ccc(O)cc1
|
(1S,2S,4S,5S,7S,8S,9R,11S,13S)-8-hydroxy-8-[(4-hydroxyanilino)methyl]-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one
|
O=C(O)COc1ccc(C(O)C(=O)O)cc1
|
2-[4-(carboxymethoxy)phenyl]-2-hydroxyacetic acid
|
C=CCCC(=O)N1[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1C(N)=O
|
(2S,3S,4S,5R,6R)-1-pent-4-enoyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-carboxamide
|
N#CCCN1CCCN(C(=O)c2ccsc2)CC1
|
3-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propanenitrile
|
CC1(C)CN(Cc2ccccc2F)c2ccc(N)cc2O1
|
4-[(2-fluorophenyl)methyl]-2,2-dimethyl-3H-1,4-benzoxazin-7-amine
|
CCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)CO[C@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)C(O)C1O
|
[(2S,3S,6S)-6-[(2S)-3-dodecanoyloxy-2-tricosanoyloxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
|
O=CN(c1ncc[nH]1)S(=O)(=O)O
|
formyl(1H-imidazol-2-yl)sulfamic acid
|
CCCCCCOc1cc2c3cc(OCCCCCC)c(OCC(=O)NCCCC)cc3c3cc(OCC(=O)NCCCC)c(OCCCCCC)cc3c2cc1OCC(=O)NCCCC
|
2-[7,10-bis[2-(butylamino)-2-oxoethoxy]-3,6,11-trihexoxytriphenylen-2-yl]oxy-N-butylacetamide
|
CC(NCCCCn1ccnc1)C(=O)NC(N)=O
|
N-carbamoyl-2-(4-imidazol-1-ylbutylamino)propanamide
|
CC1(C)C=CC2=C(N1)C1(CCCC1)CN2
|
5,5-dimethylspiro[2,4-dihydro-1H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]
|
Cc1ccc(-c2cc(N)c(C(=O)OC(C)(C)C)s2)cc1Cl
|
tert-butyl 3-amino-5-(3-chloro-4-methylphenyl)thiophene-2-carboxylate
|
CCNCc1nnc(-c2ccc(Br)c(F)c2)s1
|
N-[[5-(4-bromo-3-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
|
Nc1ncc2ccc(=O)n(O)c2n1
|
2-amino-8-hydroxypyrido[2,3-d]pyrimidin-7-one
|
CCCCNC(=O)CN(C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@H](/C=C/C(=O)O)Cc2ccccc2)cs1)C(C)C
|
(E,4S)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[2-(butylamino)-2-oxoethyl]-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-phenylpent-2-enoic acid
|
COc1cc(OC)c(C(C)=O)cc1NC(=O)c1ccc(Cc2cc3c(cc2C)C(C)(C)CCC3(C)C)o1
|
N-(5-acetyl-2,4-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
|
CN(C)C(=O)CNC(=O)COC(=O)CCCSc1ccc(Cl)cc1
|
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate
|
CCCC[C@H](CC)CNC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O
|
N-[(2S)-2-ethylhexyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
|
CCCCNC(=O)C(C)Nc1c(C)cccc1F
|
N-butyl-2-(2-fluoro-6-methylanilino)propanamide
|
O=C(NCc1ccc2c(c1)OCO2)c1ccccc1NC(=O)C1CCCCC1
|
N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclohexanecarbonylamino)benzamide
|
CC(C)c1ccc(-c2cnc(C(C)C)s2)cc1
|
2-propan-2-yl-5-(4-propan-2-ylphenyl)-1,3-thiazole
|
CC(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2ccccc2Cl)C(=O)C1
|
[(2R)-1-[4-(2-chlorophenyl)-3-oxopiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
|
CCCCCCCCCCCCCNCC(O)O.Cl
|
2-(tridecylamino)ethane-1,1-diol;hydrochloride
|
CC(C)(C)C(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C)(F)C(F)[C@@H]1n1cc2ccccc2c1C#N
|
N-[(2R,3R,4R)-4-(1-cyanoisoindol-2-yl)-5,6-difluoro-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]-2,2-dimethylpropanamide
|
CCOC(=O)C1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC1
|
ethyl 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclopropane-1-carboxylate
|
CCC(C)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3)cc2C1=O
|
[2-(4-chloroanilino)-2-oxoethyl] 2-butan-2-yl-1,3-dioxoisoindole-5-carboxylate
|
Nc1nnc(Cl)cc1C#CCCl
|
6-chloro-4-(3-chloroprop-1-ynyl)pyridazin-3-amine
|
CCOc1ccccc1NC(=O)c1cnc(NCc2ccccc2Cl)cn1
|
5-[(2-chlorophenyl)methylamino]-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
|
Cc1ccc(CC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1
|
2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
|
CCC(=O)Nc1cccc(C(=O)NCCOc2ccc3c(c2)OCO3)c1
|
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(propanoylamino)benzamide
|
FCc1ccc(N2CC[C@H]3CCCC[C@@H]3C2)c(NC(=S)c2ccncc2)c1
|
N-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-5-(fluoromethyl)phenyl]pyridine-4-carbothioamide
|
C#CC#CC#CCC(=C)C.O=CO.[HH].[HH].[HH].[HH].[HH].[HH].[HH].[HH]
|
formic acid;8-methylnon-8-en-1,3,5-triyne;molecular hydrogen
|
COc1ccccc1-c1cnc2nc(-c3cccc(OCc4ccccc4)c3OC(C)C)[nH]c2c1
|
6-(2-methoxyphenyl)-2-(3-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine
|
CC[C@H](C)[C@H](NC(=O)CN(C)c1ccc(Cl)cn1)C(=O)O
|
(2S,3S)-2-[[2-[(5-chloropyridin-2-yl)-methylamino]acetyl]amino]-3-methylpentanoic acid
|
CCCC1(CNC(C)c2sc(C(C)(C)C)nc2C)CC1
|
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(1-propylcyclopropyl)methyl]ethanamine
|
CCN1CCCC(NCc2ccc(N(C)C)cc2)CC1
|
N-[[4-(dimethylamino)phenyl]methyl]-1-ethylazepan-4-amine
|
CC(C)(C)NS(=O)c1cc(Cl)c(-c2sc(C(=O)NC3CCC3)nc2CC2CCCCC2)cc1Cl
|
5-(4-tert-butylsulfinamoyl-2,5-dichlorophenyl)-N-cyclobutyl-4-(cyclohexylmethyl)-1,3-thiazole-2-carboxamide
|
COC(=O)c1nc2n(n1)[C@@H](c1ccc(C)cc1)C1=C(N2)c2ccccc2O[C@H]1c1ccc(C)cc1
|
methyl (9S,11S)-9,11-bis(4-methylphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene-14-carboxylate
|
CCCNC(c1ccc(F)c(C)c1)C1(N(C)C)CCCC1
|
1-[(4-fluoro-3-methylphenyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine
|
Cc1cc(O)ccc1C(=C1CCCCC1)c1ccc(C=CC(=O)O)cc1
|
3-[4-[cyclohexylidene-(4-hydroxy-2-methylphenyl)methyl]phenyl]prop-2-enoic acid
|
C[c-]1cccc1.C[c-]1cccc1.Cc1c[c-]ccc1.Cc1c[c-]ccc1.[Ti+4]
|
methylbenzene;5-methylcyclopenta-1,3-diene;titanium(4+)
|
CSc1ccccc1NC1CCN2CCC1C2
|
N-(2-methylsulfanylphenyl)-1-azabicyclo[3.2.1]octan-4-amine
|
Cn1ccc(=O)c(Br)c1Cl
|
3-bromo-2-chloro-1-methylpyridin-4-one
|
O=C1C2C3CCCN3C3(C(=O)Nc4ccccc43)C2C(=O)N1c1cccc(Cl)c1
|
2'-(3-chlorophenyl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
|
COc1ccc(CCC(=O)N2CCN(Cc3cccc(-c4ccccc4)c3)CC2)cc1OC
|
3-(3,4-dimethoxyphenyl)-1-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]propan-1-one
|
O=C1C=CC(=O)N1C1C=CC=C1
|
1-cyclopenta-2,4-dien-1-ylpyrrole-2,5-dione
|
CO[C@@H]1OC(COS(=O)(=O)[O-])[C@H](C)[C@H](OC)[C@@H]1OC.[Na+]
|
sodium;[(3S,4S,5S,6R)-4,5,6-trimethoxy-3-methyloxan-2-yl]methyl sulfate
|
CCC(C)CC(=O)N1CCCCCC1CO
|
1-[2-(hydroxymethyl)azepan-1-yl]-3-methylpentan-1-one
|
COC(=O)[C@]1(C)CC[C@H](C(=O)[O-])C1(C)C
|
(1S,3R)-3-methoxycarbonyl-2,2,3-trimethylcyclopentane-1-carboxylate
|
CCC1CCC(C)N1S(=O)(=O)c1cnc[nH]1
|
5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-imidazole
|
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