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FBF
FBF
表記:4-(trifluoromethyl)benzenecarboximidamide
組成式:C8 H7 F3 N2
SMILES:FC(F)(F)c1ccc(C(=[N@H])N)cc1
InChi:InChI=1S/C8H7F3N2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)
定義日:2010-10-26
最終更新日:2011-10-14
識別子（ID）:4-(trifluoromethyl)benzenecarboximidamide
GOB
GOB
表記:4-({5-[(4-aminophenyl)(phenyl)sulfamoyl]-2,4-dimethoxyphenyl}amino)-4-oxobutanoic acid
組成式:C24 H25 N3 O7 S
SMILES:O=S(=O)(N(c1ccccc1)c2ccc(N)cc2)c3cc(c(OC)cc3OC)NC(=O)CCC(=O)O
InChi:InChI=1S/C24H25N3O7S/c1-33-20-15-21(34-2)22(14-19(20)26-23(28)12-13-24(29)30)35(31,32)27(17-6-4-3-5-7-17)18-10-8-16(25)9-11-18/h3-11,14-15H,12-13,25H2,1-2H3,(H,26,28)(H,29,30)
定義日:2011-10-05
最終更新日:2011-10-14
識別子（ID）:4-({5-[(4-aminophenyl)(phenyl)sulfamoyl]-2,4-dimethoxyphenyl}amino)-4-oxobutanoic acid
AE9
AE9
表記:2-AZIDOETHANOL
組成式:C2 H5 N3 O
SMILES:[N-]=[N+]=NCCO
InChi:InChI=1S/C2H5N3O/c3-5-4-1-2-6/h6H,1-2H2
定義日:2010-09-10
最終更新日:2011-10-14
識別子（ID）:2-azidoethanol
EVD
EVD
表記:1-benzofuran-2-sulfonamide
組成式:C8 H7 N O3 S
SMILES:O=S(=O)(c2oc1ccccc1c2)N
InChi:InChI=1S/C8H7NO3S/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,9,10,11)
定義日:2011-06-03
最終更新日:2011-10-14
識別子（ID）:1-benzofuran-2-sulfonamide
EVE
EVE
表記:1H-benzimidazole-2-sulfonamide
組成式:C7 H7 N3 O2 S
SMILES:O=S(=O)(c2nc1ccccc1n2)N
InChi:InChI=1S/C7H7N3O2S/c8-13(11,12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H2,8,11,12)
定義日:2011-06-03
最終更新日:2011-10-14
識別子（ID）:1H-benzimidazole-2-sulfonamide
EVG
EVG
表記:furan-2-sulfonamide
組成式:C4 H5 N O3 S
SMILES:O=S(=O)(N)c1occc1
InChi:InChI=1S/C4H5NO3S/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)
定義日:2011-06-03
最終更新日:2011-10-14
識別子（ID）:furan-2-sulfonamide
EVH
EVH
表記:1H-imidazole-2-sulfonamide
組成式:C3 H5 N3 O2 S
SMILES:O=S(=O)(N)c1nccn1
InChi:InChI=1S/C3H5N3O2S/c4-9(7,8)3-5-1-2-6-3/h1-2H,(H,5,6)(H2,4,7,8)
定義日:2011-06-03
最終更新日:2011-10-14
識別子（ID）:1H-imidazole-2-sulfonamide
EVI
EVI
表記:1,3-thiazole-2-sulfonamide
組成式:C3 H4 N2 O2 S2
SMILES:O=S(=O)(N)c1nccs1
InChi:InChI=1S/C3H4N2O2S2/c4-9(6,7)3-5-1-2-8-3/h1-2H,(H2,4,6,7)
定義日:2011-06-03
最終更新日:2011-10-14
識別子（ID）:1,3-thiazole-2-sulfonamide
EVJ
EVJ
表記:thiophene-2-sulfonamide
組成式:C4 H5 N O2 S2
SMILES:O=S(=O)(N)c1sccc1
InChi:InChI=1S/C4H5NO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)
定義日:2011-06-03
最終更新日:2011-10-14
識別子（ID）:thiophene-2-sulfonamide
F02
F02
表記:4-(diethylamino)benzohydrazide
組成式:C11 H17 N3 O
SMILES:O=C(c1ccc(N(CC)CC)cc1)NN
InChi:InChI=1S/C11H17N3O/c1-3-14(4-2)10-7-5-9(6-8-10)11(15)13-12/h5-8H,3-4,12H2,1-2H3,(H,13,15)
定義日:2010-10-26
最終更新日:2011-10-14
識別子（ID）:4-(diethylamino)benzohydrazide
IT2
IT2
表記:morpholine-4-carbodithioic acid
組成式:C5 H9 N O S2
SMILES:S=C(S)N1CCOCC1
InChi:InChI=1S/C5H9NOS2/c8-5(9)6-1-3-7-4-2-6/h1-4H2,(H,8,9)
定義日:2010-10-11
最終更新日:2011-10-14
識別子（ID）:morpholine-4-carbodithioic acid
IT5
IT5
表記:4-cyano-4-phenylpiperidine-1-carbodithioic acid
組成式:C13 H14 N2 S2
SMILES:S=C(S)N2CCC(C#N)(c1ccccc1)CC2
InChi:InChI=1S/C13H14N2S2/c14-10-13(11-4-2-1-3-5-11)6-8-15(9-7-13)12(16)17/h1-5H,6-9H2,(H,16,17)
定義日:2010-10-12
最終更新日:2011-10-14
識別子（ID）:4-cyano-4-phenylpiperidine-1-carbodithioic acid
AZB
AZB
表記:4-{(E)-[4-(propan-2-yl)phenyl]diazenyl}phenol
組成式:C15 H16 N2 O
SMILES:N(=N/c1ccc(O)cc1)c2ccc(cc2)C(C)C
InChi:InChI=1S/C15H16N2O/c1-11(2)12-3-5-13(6-4-12)16-17-14-7-9-15(18)10-8-14/h3-11,18H,1-2H3/b17-16+
定義日:2011-03-14
最終更新日:2011-10-14
識別子（ID）:4-{(E)-[4-(propan-2-yl)phenyl]diazenyl}phenol
UPC
UPC
表記:2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine
組成式:C10 H17 N2 O13 P3
SMILES:O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O
InChi:InChI=1S/C10H17N2O13P3/c13-6-3-9(12-2-1-8(14)11-10(12)15)24-7(6)4-23-26(16,17)5-27(18,19)25-28(20,21)22/h1-2,6-7,9,13H,3-5H2,(H,16,17)(H,18,19)(H,11,14,15)(H2,20,21,22)/t6-,7+,9+/m0/s1
定義日:2011-07-11
最終更新日:2011-10-07
識別子（ID）:2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine
ZNE
ZNE
表記:(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,5S)-5-hydroxy-1-methyl-5-(1,3-thiazol-2-yl)pentyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol
組成式:C28 H41 N O3 S
SMILES:C[CH](CCC[CH](O)c1sccn1)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C
InChi:InChI=1S/C28H41NO3S/c1-18(6-4-8-25(31)27-29-14-15-33-27)23-11-12-24-20(7-5-13-28(23,24)3)9-10-21-16-22(30)17-26(32)19(21)2/h9-10,14-15,18,22-26,30-32H,2,4-8,11-13,16-17H2,1,3H3/b20-9+,21-10-/t18-,22-,23-,24+,25?,26+,28-/m1/s1
定義日:2010-01-16
最終更新日:2011-10-07
識別子（ID）:(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-(1,3-thiazol-2-yl)hexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
P79
P79
表記:1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1H-pyrazol-5-yl}-3-naphthalen-2-ylurea
組成式:C24 H29 N5 O4 S
SMILES:O=S4(=O)CCN(C(=O)Cn3nc(cc3NC(=O)Nc2cc1ccccc1cc2)C(C)(C)C)CC4
InChi:InChI=1S/C24H29N5O4S/c1-24(2,3)20-15-21(29(27-20)16-22(30)28-10-12-34(32,33)13-11-28)26-23(31)25-19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14-15H,10-13,16H2,1-3H3,(H2,25,26,31)
定義日:2010-10-13
最終更新日:2011-10-07
識別子（ID）:1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1H-pyrazol-5-yl}-3-naphthalen-2-ylurea
P7I
P7I
表記:(2-aminoethyl)phosphonic acid
組成式:C2 H8 N O3 P
SMILES:O=P(O)(O)CCN
InChi:InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
定義日:2010-10-20
最終更新日:2011-10-07
識別子（ID）:(2-aminoethyl)phosphonic acid
NM7
NM7
表記:2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide
組成式:C12 H10 F N3 O2 S
SMILES:O=C(Nc1sc(cc1C(=O)N)c2ccc(F)cc2)N
InChi:InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
定義日:2011-01-24
最終更新日:2011-10-07
識別子（ID）:2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide
ZTP
ZTP
表記:(2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate
組成式:C40 H68 O7 P2
SMILES:O=P(O)(O)OP(=O)(OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CCC=C(/C)C)O
InChi:InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19-,35-21-,36-23-,37-25-,38-27-,39-29-,40-31-
定義日:2011-08-31
最終更新日:2011-10-07
識別子（ID）:(2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate
0BM
0BM
表記:N-(methylsulfonyl)-D-phenylalanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-L-prolinamide
組成式:C22 H34 N6 O4 S
SMILES:O=C(NCC1CCN(C(=[N@H])N)CC1)C3N(C(=O)C(NS(=O)(=O)C)Cc2ccccc2)CCC3
InChi:InChI=1S/C22H34N6O4S/c1-33(31,32)26-18(14-16-6-3-2-4-7-16)21(30)28-11-5-8-19(28)20(29)25-15-17-9-12-27(13-10-17)22(23)24/h2-4,6-7,17-19,26H,5,8-15H2,1H3,(H3,23,24)(H,25,29)/t18-,19+/m1/s1
定義日:2011-09-30
最終更新日:2011-10-07
識別子（ID）:N-(methylsulfonyl)-D-phenylalanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-L-prolinamide
BFO
BFO
表記:benzyl N-[(naphthalen-2-ylmethoxy)carbonyl]-L-alanyl-N~5~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-ornithinate
組成式:C35 H43 N3 O8
SMILES:O=CC(C(C)CC)C(O)C(=O)NCCCC(C(=O)OCc1ccccc1)NC(=O)C(NC(=O)OCc3cc2ccccc2cc3)C
InChi:InChI=1S/C35H43N3O8/c1-4-23(2)29(20-39)31(40)33(42)36-18-10-15-30(34(43)45-21-25-11-6-5-7-12-25)38-32(41)24(3)37-35(44)46-22-26-16-17-27-13-8-9-14-28(27)19-26/h5-9,11-14,16-17,19-20,23-24,29-31,40H,4,10,15,18,21-22H2,1-3H3,(H,36,42)(H,37,44)(H,38,41)/t23-,24-,29-,30-,31+/m0/s1
定義日:2011-08-24
最終更新日:2011-10-07
識別子（ID）:benzyl N-[(naphthalen-2-ylmethoxy)carbonyl]-L-alanyl-N~5~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-ornithinate
3EQ
3EQ
表記:[(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid
組成式:C30 H31 N O5 S2
SMILES:O=C(O)COc2c1c(cccc1)c(cc2)S(=O)(=O)N(c4cccc(c3ccc(SC)cc3)c4C)CCCC
InChi:InChI=1S/C30H31NO5S2/c1-4-5-19-31(27-12-8-11-24(21(27)2)22-13-15-23(37-3)16-14-22)38(34,35)29-18-17-28(36-20-30(32)33)25-9-6-7-10-26(25)29/h6-18H,4-5,19-20H2,1-3H3,(H,32,33)
定義日:2010-11-01
最終更新日:2011-10-07
識別子（ID）:[(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid
FUZ
FUZ
表記:2-[(furan-2-ylmethyl)amino]benzoic acid
組成式:C12 H11 N O3
SMILES:O=C(O)c2c(NCc1occc1)cccc2
InChi:InChI=1S/C12H11NO3/c14-12(15)10-5-1-2-6-11(10)13-8-9-4-3-7-16-9/h1-7,13H,8H2,(H,14,15)
定義日:2009-09-11
最終更新日:2011-10-07
識別子（ID）:2-[(furan-2-ylmethyl)amino]benzoic acid
IAQ
IAQ
表記:(2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide
組成式:C24 H25 F N6 O
SMILES:O=C(C=C/CN(C)C)N(c2c(F)cc1nc(c3cncn3c1c2)Nc4ccccc4C)C
InChi:InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7-
定義日:2011-08-09
最終更新日:2011-10-07
識別子（ID）:(2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide
02U
02U
表記:14-methylhexadec-9-enoic acid
組成式:C17 H32 O2
SMILES:O=C(O)CCCCCCC/C=C/CCCC(C)CC
InChi:InChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h6,8,16H,3-5,7,9-15H2,1-2H3,(H,18,19)
定義日:2011-06-10
最終更新日:2011-09-30
識別子（ID）:14-methylhexadec-9-enoic acid

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