Datasets:
AdrianM0
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SMILES-to-IUPAC-BOOTSTRAP-ROUND-47

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SMILES
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2
971
IUPAC
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6
1.71k
ClCC1CCCOC2(CCCCO2)O1
11-(chloromethyl)-1,7,12-trioxaspiro[5.6]dodecane
C.C.CCOC(=O)NC(=S)Nc1ccn[nH]1.COc1cc(N2CCN(C)CC2)ccc1N.CS(=O)(=O)c1nc(Oc2cccc([N+](=O)[O-])c2)n2nccc2n1.CSc1nc(Cl)n2nccc2n1.CSc1nc(Oc2cccc([N+](=O)[O-])c2)n2nccc2n1.CSc1nc2ccnn2c(=O)[nH]1.N[N-]O.Nc1ccn[nH]1.O=P(Cl)(Cl)Cl.O=c1[nH]c(=S)nc2cc[nH]n12.[Na+]
sodium;amino(hydroxy)azanide;4-chloro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;ethyl N-(1H-pyrazol-5-ylcarbamothioyl)carbamate;methane;2-methoxy-4-(4-methylpiperazin-1-yl)aniline;2-methylsulfanyl-4-(3-nitrophenoxy)pyrazolo[1,5-a][1,3,5]triazine;2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-methylsulfonyl-4-(3-nitrophenoxy)pyrazolo[1,5-a][1,3,5]triazine;phosphoryl trichloride;1H-pyrazol-5-amine;2-sulfanylidene-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CCc1ccc2c(C)c(C/C=C/C(=O)O)c(=O)[nH]c2c1
(E)-4-(7-ethyl-4-methyl-2-oxo-1H-quinolin-3-yl)but-2-enoic acid
NC1=NC2(CS1)c1cc(Br)ccc1O[C@H]1CC[C@@H](NC(=O)c3ccc(C(F)(F)F)cn3)C[C@@H]12
N-[(2R,4aS,9aR)-2'-amino-7-bromospiro[1,2,3,4,4a,9a-hexahydroxanthene-9,4'-5H-1,3-thiazole]-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
Nc1cc(N2CC3CC2CO3)ncc1F
5-fluoro-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridin-4-amine
Cc1ccc(-c2noc3c(=O)n(CCC(=O)O)cnc23)cc1
3-[3-(4-methylphenyl)-7-oxo-[1,2]oxazolo[4,5-d]pyrimidin-6-yl]propanoic acid
COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)ccc1Cl
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2,5-dichlorobenzoate
COc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CC2CCCO2)C(=O)c2ccc(F)cc2)cc1OC
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-fluoro-N-(oxolan-2-ylmethyl)benzamide
Cc1[nH]n(-c2ccccc2)c(=O)c1S(=O)(=O)OO
5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-sulfonoperoxoic acid
C/C=C(\C)C(=O)O[C@H]1CCN2C[C@H]3C[C@@H](CN4C=CC(=O)CC34)C2C1
[(1S,4S,9R)-12-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-13-en-4-yl] (E)-2-methylbut-2-enoate
OC1COC(OF)CO1
(5-hydroxy-1,4-dioxan-2-yl) hypofluorite
COc1ccc(C(=O)NC2CCCNC2)cc1S(=O)(=O)N(C)C.Cl
3-(dimethylsulfamoyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
O=C(NCc1nn(C2CCCCO2)c2ccc(Cl)cc12)c1cncc(Cc2cc(Cl)c(Cn3ccccc3=O)cc2Cl)c1
N-[[5-chloro-1-(oxan-2-yl)indazol-3-yl]methyl]-5-[[2,5-dichloro-4-[(2-oxopyridin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CC(C)Oc1nc(Cl)nc(NCc2sccc2Br)n1
N-[(3-bromothiophen-2-yl)methyl]-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
C=C1CCCC1(C)CCC(CCNC(=O)C(C)C)C1(C)CCC(O)CC1CO
N-[3-[4-hydroxy-2-(hydroxymethyl)-1-methylcyclohexyl]-5-(1-methyl-2-methylidenecyclopentyl)pentyl]-2-methylpropanamide
O=C(OC1CCCC1)C1CCCCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1
cyclopentyl 1-[(2R)-6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]azocane-4-carboxylate
CCNC(=NCC(C)CO)N(C)Cc1cc2ccccc2o1.I
1-(1-benzofuran-2-ylmethyl)-3-ethyl-2-(3-hydroxy-2-methylpropyl)-1-methylguanidine;hydroiodide
CCC(CCN)S(=O)(=O)c1ccc(C)cc1
3-(4-methylphenyl)sulfonylpentan-1-amine
CC(C)OC(=O)NN=S(=O)=O.Cc1ccccc1
propan-2-yl N-(sulfonylamino)carbamate;toluene
Cc1cc(C)c(-c2cccc3ncccc23)cc1C(=O)O
2,4-dimethyl-5-quinolin-5-ylbenzoic acid
CCNCc1ccccc1COCC(F)(F)C(F)(F)F
N-[[2-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]methyl]ethanamine
O=C(N1CC(O)(C(=O)O)C1)C(F)(F)F
3-hydroxy-1-(2,2,2-trifluoroacetyl)azetidine-3-carboxylic acid
CCCC1CCC(C#N)C(Oc2cccc(Cl)c2Cl)C1
2-(2,3-dichlorophenoxy)-4-propylcyclohexane-1-carbonitrile
O=CC1=Cc2cc(Cl)ccc2C(N2CCC(C3CCN(C(=O)CC4CCNCC4)CC3)CC2)c2ncc(Cl)cc21
6,13-dichloro-2-[4-[1-(2-piperidin-4-ylacetyl)piperidin-4-yl]piperidin-1-yl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene-9-carbaldehyde
O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(-c5ccccc5)cc4)n3)c3ccccc23)C1
1-[[4-[5-(4-phenylphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]methyl]azetidine-3-carboxylic acid
CN(Cc1coc(-c2cccc(Cl)c2)n1)CC(O)C(F)(F)F
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-1,1,1-trifluoropropan-2-ol
Nc1nnn(C2CCOC3(CCC3)C2)c1C1CC1
5-cyclopropyl-1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-amine
COCCC(=O)N1CC2CN(Cc3ccc(Cl)cc3)C2C1
1-[6-[(4-chlorophenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-methoxypropan-1-one
CC(C)(C)OC(=O)CNCc1cc(Br)ccc1F
tert-butyl 2-[(5-bromo-2-fluorophenyl)methylamino]acetate
Cc1nc(C)c([C@H](OC(C)(C)C)C(=O)OC(C)C)c(N2CCC(C)(C)CC2)c1-c1cccc(-c2nnnn2Cc2ccc(F)cc2)c1
propan-2-yl (2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-5-[3-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
C[C@@H](Cc1ncc(Br)cn1)S(=O)(=O)O
(2S)-1-(5-bromopyrimidin-2-yl)propane-2-sulfonic acid
CC(C1CCN(C)CC1)N(C)C(=O)c1cn2c(n1)CCC2
N-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
O=C(O)COc1cccc(C(=O)N2CCCC2CCc2ccccc2)c1
2-[3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
Cc1ccccc1C(=O)NC1CCN(Cc2cccc(-c3ccc(F)c(F)c3)c2)CC1
N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide
O=C(O)CC(c1ccccc1)C(N=C(c1ccccc1)c1ccccc1NC(=O)C1CCCN1Cc1ccccc1)C(=O)O
2-[[[2-[(1-benzylpyrrolidine-2-carbonyl)amino]phenyl]-phenylmethylidene]amino]-3-phenylpentanedioic acid
CC(C)(CNC(=O)[C@@H]1CCC[C@@H]1CN)c1ccccc1Cl
(1R,2S)-2-(aminomethyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide
CC(/C=C/c1cn(C)cn1)=C\CO
(2E,4E)-3-methyl-5-(1-methylimidazol-4-yl)penta-2,4-dien-1-ol
Nc1c(-c2ccccc2)cccc1S(=O)(=O)[O-]
2-amino-3-phenylbenzenesulfonate
CC(=O)N1CC[C@@H]2C[C@@H](C(=O)O)N(C(=O)[C@H](C)N[C@H](CCc3ccccc3)C(=O)O)[C@H]2C1
(2S,3aR,7aR)-6-acetyl-1-[(2S)-2-[[(1R)-1-carboxy-3-phenylpropyl]amino]propanoyl]-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
O=C(NC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O)N[C@@H](CO)Cc1ccccc1
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]urea
C/C(CC(=O)NCc1ccco1)=N\NC(=O)c1ccc(Cl)cc1
4-chloro-N-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]benzamide
Cc1nccn1-c1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1F
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]acetamide
CCS(C#Cc1cccc(-c2cccc(Nc3nccc4cc(CN5CCC(O)C5)cnc34)c2C)c1C)(CC)CC
1-[[8-[2-methyl-3-[2-methyl-3-[2-(triethyl-λ4-sulfanyl)ethynyl]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol
COc1ccc(CCNC(=O)c2ccc(OC)c(COc3ccc(Cl)cc3)c2)cc1
3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CCC(=O)c1cccc(-c2ccc(C#N)cc2)c1
4-(3-propanoylphenyl)benzonitrile
Cc1nc(NC(=O)Nc2ccc(F)c(F)c2F)sc1C
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,3,4-trifluorophenyl)urea
Cc1nc2cc(N(C)C(=O)Br)ccc2o1
N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)carbamoyl bromide
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)c1ccc2cccccc1-2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)O
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(azulene-1-carbonylamino)-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoic acid
CC1CN(C)CCN1Cc1ccccc1CN
[2-[(2,4-dimethylpiperazin-1-yl)methyl]phenyl]methanamine
CN(CCOc1cccc(CNC(=O)c2n[nH]c(=O)c3ccccc23)c1)C1CCOCC1
N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CC(C(=O)O)N(C)C(=O)COc1ccc(Br)cc1Cl
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-methylamino]propanoic acid
CCCCCCCCCCCCCCCc1cccc(OCC)c1
1-ethoxy-3-pentadecylbenzene
CNC(Cc1nc(CCCOC)no1)CC(C)C
1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CCCCCCCCCCCC(=O)NC(CC)N(C)C.O=C(O)CC(O)(CC(=O)O)C(=O)O
N-[1-(dimethylamino)propyl]dodecanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CC.CC1(C)CNCc2ccccc21
4,4-dimethyl-2,3-dihydro-1H-isoquinoline;ethane
O=C(NNS(=O)(=O)c1ccccc1OC(F)(F)F)c1cnccn1
N'-[2-(trifluoromethoxy)phenyl]sulfonylpyrazine-2-carbohydrazide
CC(C)(N)CCc1nc(COc2ccccc2)no1
2-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CCCN(c1nccnc1Cl)C1CC1
3-chloro-N-cyclopropyl-N-propylpyrazin-2-amine
CO[C@@H]([C@@H](C)[C@H]1O[Si](C(C)(C)C)(C(C)(C)C)O[C@@H](/C(C)=C/I)[C@H]1C)[C@@H](C)/C=C/C=C/C=C/C(=O)OCC[Si](C)(C)C
2-trimethylsilylethyl (2E,4E,6E,8S,9R,10R)-10-[(4R,5S,6R)-2,2-ditert-butyl-6-[(E)-1-iodoprop-1-en-2-yl]-5-methyl-1,3,2-dioxasilinan-4-yl]-9-methoxy-8-methylundeca-2,4,6-trienoate
Cc1nc2ccc(-n3ncc(C(=O)C4=Cc5cc(Oc6ccccc6)ccc5C4)c3N)cc2[nH]1
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-phenoxy-1H-inden-2-yl)methanone
c1ccc(-c2ccc(N(c3ccc(-c4c5nc(-c6ccccc6)sc5cc5c4sc4ccccc45)cc3)c3ccc4ccc(-c5ccccc5)cc4c3)cc2)cc1
7-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CCc1nc(NNCc2ccccc2)nc(=O)n1-c1ccc(Cl)c(Cl)c1
4-(2-benzylhydrazinyl)-1-(3,4-dichlorophenyl)-6-ethyl-1,3,5-triazin-2-one
COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OCc1ccccn1.O=C(O)C(F)(F)F
4-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(pyridin-2-ylmethoxy)benzamide;2,2,2-trifluoroacetic acid
CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C
[(2R)-1-[[(2S)-3-[[(2R)-3-dodecanoyloxy-2-tridecanoyloxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-(14-methylpentadecanoyloxy)propan-2-yl] 15-methylhexadecanoate
Nc1ccc(-c2cc3c(Nc4cccc(Cl)c4)ncnc3o2)cc1
6-(4-aminophenyl)-N-(3-chlorophenyl)furo[2,3-d]pyrimidin-4-amine
O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)CCCN4C(=O)S/C(=C/c5ccc(F)cc5)C4=O)CC3)c(F)cc2c1=O
1-cyclopropyl-6-fluoro-7-[4-[4-[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]butanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Cc1ccc(C)c2c1N(CCCOc1cccc3ccccc13)C(=O)C21OCCCO1
4',7'-dimethyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CC(C)(C)OC(=O)NCCC(=O)OCc1ccc(C#N)cc1
(4-cyanophenyl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CCC1=Cc2cnc(CN3CCN(c4ccc(C(=O)CC5COC5)nc4)[C@@H]4C[C@@H]43)cc2CC1=O
7-ethyl-3-[[(1S,6R)-5-[6-[2-(oxetan-3-yl)acetyl]pyridin-3-yl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]methyl]-5H-isoquinolin-6-one
O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ncccn2)CC1)N1CCOCC1
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-2-yl]methyl]morpholine-4-carboxamide
O=c1c2cc(-c3ccccc3)n(-c3ccc(F)cc3)c2ncn1COCc1ccccc1
7-(4-fluorophenyl)-6-phenyl-3-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
FC(F)(F)CCN1CCC(OCCBr)CC1
4-(2-bromoethoxy)-1-(3,3,3-trifluoropropyl)piperidine
c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)oc6ccccc67)cc(-n6c7ccccc7c7ccccc76)c5)ccc43)c2)cc1
3-[3-carbazol-9-yl-5-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
C[C@H]1C[C@H]1C(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1
(1R,2S)-2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide
O=C(CCC1CCCCC1)c1c[nH]c2ncc(Br)cc12
1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-cyclohexylpropan-1-one
CC[Si](CC)(CC)O[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(c2ncc(C(N)=O)c(Nc3cc(C(C)C)nc(C(C)C)c3)n2)C1
tert-butyl N-[(3R,5S)-1-[5-carbamoyl-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidin-2-yl]-5-triethylsilyloxypiperidin-3-yl]carbamate
Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4N4CCN(C)[C@H](C(C)C)C4)cc2OCC3)n(C(C)C)n1
9-[1-methyl-5-[(3R)-4-methyl-3-propan-2-ylpiperazin-1-yl]pyrazol-4-yl]-2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
C.C.CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.CC(C)C[C@@H]1CC(=O)c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(c2)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC1=O.CC(C)C[C@@H]1CC(=O)c2ccc(-c3ccc(N4CCNCC4)cc3)c(c2)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC1=O.CC(C)C[C@@H]1CC(=O)c2ccc(Br)c(c2)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC1=O.CC(C)C[C@H](CC(=O)c1ccc(Br)c(CNC(=O)[C@@H]2CCCN2)c1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)[C@@H](C)OC(C)(C)C.CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CCl.COC(=O)C(C)C.COC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@@H](CC(=O)c1ccc(Br)c(CNC(=O)[C@@H]2CCCN2)c1)CC(C)C)[C@@H](C)OC(C)(C)C.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-[2-[4-bromo-3-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]phenyl]-2-oxoethyl]-4-methylpentanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]propanoic acid;tert-butyl 2-[(5S,11S,14S,17S,20R)-26-bromo-11-methyl-14-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-20-(2-methylpropyl)-4,10,13,16,19,22-hexaoxo-3,9,12,15,18-pentazatricyclo[21.3.1.05,9]heptacosa-1(26),23(27),24-trien-17-yl]acetate;tert-butyl (3S)-3-[[(2R)-2-[2-[4-bromo-3-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]phenyl]-2-oxoethyl]-4-methylpentanoyl]amino]-4-[[(2S,3R)-1-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-4-oxobutanoate;tert-butyl 4-[4-[(5S,11S,14S,17S,20R)-11-methyl-14-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-17-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-20-(2-methylpropyl)-4,10,13,16,19,22-hexaoxo-3,9,12,15,18-pentazatricyclo[21.3.1.05,9]heptacosa-1(26),23(27),24-trien-26-yl]phenyl]piperazine-1-carboxylate;tert-butyl 2-[(5S,11S,14S,17S,20R)-11-methyl-14-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-20-(2-methylpropyl)-4,10,13,16,19,22-hexaoxo-26-(4-piperazin-1-ylphenyl)-3,9,12,15,18-pentazatricyclo[21.3.1.05,9]heptacosa-1(26),23(27),24-trien-17-yl]acetate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate;chloromethane;2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;methane;methyl 2-methylpropanoate;palladium;triphenylphosphane
CCCC(C)(NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)C(=O)O
2-[(3-benzylsulfonylbenzoyl)amino]-2-methylpentanoic acid
CCN(CC)c1ccc(/C=N\NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1
4-chloro-N-[2-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CCc1ccc([C@H](NC(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)C(C)C)cc1
N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
C[C@H]1[C@@H](CN2CCC(O)(c3ccc(Cl)cc3)CC2)O[C@@H](c2cccc(NC(=O)c3cccnc3)c2)O[C@H]1c1ccc(CO)cc1
N-[3-[(2S,4S,5R,6R)-4-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]pyridine-3-carboxamide
O=C1CC(Br)CN1c1ccc(F)c(O)c1
4-bromo-1-(4-fluoro-3-hydroxyphenyl)pyrrolidin-2-one
CCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)/C=C/CC/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCC
(Z)-N-[(4E,8E)-1,3-dihydroxyhexatriaconta-4,8-dien-2-yl]dotetracont-31-enamide
CCOC(=O)C(=CNc1ccc(F)c(N2CCNCC2)c1)C(=O)OCC
diethyl 2-[(4-fluoro-3-piperazin-1-ylanilino)methylidene]propanedioate
C=NCCc1ccc(CN2CCC3(CCN(c4ncnc5sc(CSC)cc45)C3)C2)cc1
N-[2-[4-[[2-[6-(methylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]phenyl]ethyl]methanimine
CCCC[C@H](OCC[C@]1(C(=O)N2CCC(OCOC)CC2)C=CC=CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(F)(F)CN(C)C
(2S)-N-[(2S,3R)-1-cyclohexyl-5-(dimethylamino)-4,4-difluoro-3-hydroxypentan-2-yl]-2-[2-[(1S)-1-[4-(methoxymethoxy)piperidine-1-carbonyl]cyclohexa-2,4-dien-1-yl]ethoxy]hexanamide
CC1=CSC2N=C(C(=O)NCc3cc(F)c4c(c3)NC(=O)CO4)NC(=O)C12
N-[(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-methyl-4-oxo-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CCNC(=NCCc1cn2cccc(C)c2n1)NCCc1c[nH]c2c(C)cccc12
1-ethyl-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine
CCC1CCC(C#N)(C(O)c2cc(F)ccc2F)CC1
1-[(2,5-difluorophenyl)-hydroxymethyl]-4-ethylcyclohexane-1-carbonitrile
CCOC(C)c1noc(C2CCCC2C(=O)O)n1
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CN(C)CCC1COC2(CC=CCC=CCCC(=O)OCC=CCC=CCC3(CC=CCC=CCOC(=O)CCC=CCC=CC2)OCC(CCc2cnc[nH]2)O3)O1
26-[2-(dimethylamino)ethyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1,4,13,24,27,37-hexaoxadispiro[4.17.423.175]tetratetraconta-7,10,17,20,29,32,39,42-octaene-14,36-dione
CCCCN(CC)CC(NCC)(C(=O)OC)C1CC1
methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate
CCCCN(C(=O)c1ccc(=O)n(CCC)n1)C1CCS(=O)(=O)C1
N-butyl-N-(1,1-dioxothiolan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CC.O=C(Nc1ccc2ccccc2c1)Nc1ncnc2[nH]c(=O)[nH]c12
ethane;1-naphthalen-2-yl-3-(8-oxo-7,9-dihydropurin-6-yl)urea
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC(CCCCCCCCCCCCCCCCC)CCCCCCCC(=O)NC(CCCN)C(=O)O
5-amino-2-[9-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxyhexacosanoylamino]pentanoic acid
Cc1nn(-c2ccccc2)c(N=CN(C)C)c1C=O
N'-(4-formyl-5-methyl-2-phenylpyrazol-3-yl)-N,N-dimethylmethanimidamide
C=CC[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](OCOC)c1ccccc1
[(1R,2S,3R)-1-(methoxymethoxy)-2,3-bis(phenylmethoxy)hex-5-enyl]benzene
CCOC(=O)C1CCCN(C(=O)CN(C)C(=O)CCCc2nc(C(C)(C)C)no2)C1
ethyl 1-[2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]acetyl]piperidine-3-carboxylate
CCCCCC/C=C/C(C)C[Si](C)(C)C
trimethyl-[(E)-2-methyldec-3-enyl]silane