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NBI
NBI
表記:2-nitro-N-phenylbenzamide
組成式:C13 H10 N2 O3
SMILES:[O-][N+](=O)c1ccccc1C(=O)Nc2ccccc2
InChi:InChI=1S/C13H10N2O3/c16-13(14-10-6-2-1-3-7-10)11-8-4-5-9-12(11)15(17)18/h1-9H,(H,14,16)
定義日:2010-02-15
最終更新日:2011-06-04
識別子（ID）:2-nitro-N-phenyl-benzamide
NBP
NBP
表記:NICOTINAMIDE 8-BROMO-ADENINE DINUCLEOTIDE PHOSPHATE
組成式:C21 H27 Br N7 O17 P3
SMILES:NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4c(Br)nc5c(N)ncnc45)[CH](O)[CH]2O
InChi:InChI=1S/C21H27BrN7O17P3/c22-21-27-11-16(23)25-7-26-18(11)29(21)20-15(45-47(34,35)36)13(31)10(44-20)6-42-49(39,40)46-48(37,38)41-5-9-12(30)14(32)19(43-9)28-3-1-2-8(4-28)17(24)33/h1-4,7,9-10,12-15,19-20,30-32H,5-6H2,(H7-,23,24,25,26,33,34,35,36,37,38,39,40)/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:[[(2R,3R,4R,5R)-5-(6-amino-8-bromo-purin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate
QMS
QMS
表記:N-(QUINOLIN-8-YL)METHANESULFONAMIDE
組成式:C10 H10 N2 O2 S
SMILES:O=S(=O)(Nc1cccc2cccnc12)C
InChi:InChI=1S/C10H10N2O2S/c1-15(13,14)12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7,12H,1H3
定義日:2005-10-24
最終更新日:2011-06-04
識別子（ID）:N-quinolin-8-ylmethanesulfonamide
NBS
NBS
表記:N6-BENZYL ADENOSINE-5'-DIPHOSPHATE
組成式:C17 H21 N5 O10 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)NCc3ccccc3)C(O)C4O
InChi:InChI=1S/C17H21N5O10P2/c23-13-11(7-30-34(28,29)32-33(25,26)27)31-17(14(13)24)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H,28,29)(H,18,19,20)(H2,25,26,27)/t11-,13-,14-,17-/m1/s1
定義日:2002-01-18
最終更新日:2011-06-04
識別子（ID）:N-benzyladenosine 5'-(trihydrogen diphosphate)
NBV
NBV
表記:(2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL
組成式:C10 H21 N O4
SMILES:OCC1N(CCCC)CC(O)C(O)C1O
InChi:InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
定義日:2007-06-18
最終更新日:2011-06-04
識別子（ID）:(2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
NBZ
NBZ
表記:NITROBENZENE
組成式:C6 H5 N O2
SMILES:[O-][N+](=O)c1ccccc1
InChi:InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:nitrobenzene
QN1
QN1
表記:4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis({[4-(trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide
組成式:C34 H31 F6 N5 O6 S2
SMILES:O=S(=O)(N(C3C(N(Cc1ccc(cc1)C(F)(F)F)S(=O)(=O)c2ccc(C(=O)N)cc2)CNC3)Cc4ccc(cc4)C(F)(F)F)c5ccc(C(=O)N)cc5
InChi:InChI=1S/C34H31F6N5O6S2/c35-33(36,37)25-9-1-21(2-10-25)19-44(52(48,49)27-13-5-23(6-14-27)31(41)46)29-17-43-18-30(29)45(20-22-3-11-26(12-4-22)34(38,39)40)53(50,51)28-15-7-24(8-16-28)32(42)47/h1-16,29-30,43H,17-20H2,(H2,41,46)(H2,42,47)/t29-,30-/m0/s1
定義日:2007-08-03
最終更新日:2011-06-04
識別子（ID）:4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis{[4-(trifluoromethyl)benzyl]sulfamoyl}]dibenzamide
QN2
QN2
表記:N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide]
組成式:C30 H29 I2 N3 O4 S2
SMILES:O=S(=O)(N(C3C(N(Cc1ccc(I)cc1)S(=O)(=O)c2ccccc2)CNC3)Cc4ccc(I)cc4)c5ccccc5
InChi:InChI=1S/C30H29I2N3O4S2/c31-25-15-11-23(12-16-25)21-34(40(36,37)27-7-3-1-4-8-27)29-19-33-20-30(29)35(22-24-13-17-26(32)18-14-24)41(38,39)28-9-5-2-6-10-28/h1-18,29-30,33H,19-22H2/t29-,30-/m0/s1
定義日:2007-08-03
最終更新日:2011-06-04
識別子（ID）:N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide]
QN3
QN3
表記:N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-chlorobenzenesulfonamide)
組成式:C30 H29 Cl2 N3 O4 S2
SMILES:O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccccc2Cl)CNC3)Cc4ccccc4)c5ccccc5Cl
InChi:InChI=1S/C30H29Cl2N3O4S2/c31-25-15-7-9-17-29(25)40(36,37)34(21-23-11-3-1-4-12-23)27-19-33-20-28(27)35(22-24-13-5-2-6-14-24)41(38,39)30-18-10-8-16-26(30)32/h1-18,27-28,33H,19-22H2/t27-,28-/m0/s1
定義日:2007-08-03
最終更新日:2011-06-04
識別子（ID）:N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-chlorobenzenesulfonamide)
8BR
8BR
表記:8-BROMO-ADENOSINE-5'-MONOPHOSPHATE
組成式:C10 H13 Br N5 O7 P
SMILES:Brc2nc1c(ncnc1n2C3OC(C(O)C3O)COP(=O)(O)O)N
InChi:InChI=1S/C10H13BrN5O7P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:8-bromoadenosine 5'-(dihydrogen phosphate)
NC1
NC1
表記:NITROCEFIN ACYL-SERINE
組成式:C24 H21 N5 O11 S2
SMILES:[O-]C(=O)C(N)COC(=O)C(NC(=O)Cc1sccc1)C2SCC(=C(N2)C([O-])=O)C=Cc3ccc([N+]([O-])=O)cc3[N+]([O-])=O
InChi:InChI=1S/C24H23N5O11S2/c25-16(22(31)32)10-40-24(35)20(26-18(30)9-15-2-1-7-41-15)21-27-19(23(33)34)13(11-42-21)4-3-12-5-6-14(28(36)37)8-17(12)29(38)39/h1-8,16,20-21,27H,9-11,25H2,(H,26,30)(H,31,32)(H,33,34)/p-2/b4-3+/t16-,20-,21+/m0/s1
定義日:2002-10-08
最終更新日:2011-06-04
識別子（ID）:(2R)-2-{(1R)-2-[(2S)-2-amino-2-carboxylatoethoxy]-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylate
NCA
NCA
表記:NICOTINAMIDE
組成式:C6 H6 N2 O
SMILES:O=C(N)c1cccnc1
InChi:InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:pyridine-3-carboxamide
NCC
NCC
表記:CYTIDINE-5'-MONOPHOSPHATE-5-N-ACETYLNEURAMINIC ACID
組成式:C20 H31 N4 O16 P
SMILES:O=C(NC1C(O)CC(OC1C(O)C(O)CO)(OP(=O)(O)OCC3OC(N2C(=O)N=C(N)C=C2)C(O)C3O)C(=O)O)C
InChi:InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1
定義日:2003-09-12
最終更新日:2011-06-04
識別子（ID）:(2R,4S,5R,6R)-5-(acetylamino)-2-{[(S)-{[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
8CA
8CA
表記:9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
組成式:C20 H19 N O2
SMILES:O=C(O)c4c1c(c3c(n1Cc2ccccc2)CCCC3)ccc4
InChi:InChI=1S/C20H19NO2/c22-20(23)17-11-6-10-16-15-9-4-5-12-18(15)21(19(16)17)13-14-7-2-1-3-8-14/h1-3,6-8,10-11H,4-5,9,12-13H2,(H,22,23)
定義日:2009-01-13
最終更新日:2011-06-04
識別子（ID）:9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
0U
0U
表記:L-URIDINE-5'-MONOPHOSPHATE
組成式:C9 H13 N2 O9 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
InChi:InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m0/s1
定義日:2009-07-16
最終更新日:2011-06-04
識別子（ID）:1-(5-O-phosphono-beta-L-ribofuranosyl)pyrimidine-2,4(1H,3H)-dione
2SC
2SC
表記:(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
組成式:C19 H17 N5 O
SMILES:n1c(cc(n2ncc(c12)CO)NCc3cccnc3)c4ccccc4
InChi:InChI=1S/C19H17N5O/c25-13-16-12-22-24-18(21-11-14-5-4-8-20-10-14)9-17(23-19(16)24)15-6-2-1-3-7-15/h1-10,12,21,25H,11,13H2
定義日:2007-09-20
最終更新日:2011-06-04
識別子（ID）:{5-phenyl-7-[(pyridin-3-ylmethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl}methanol
2SK
2SK
表記:(1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL
組成式:C13 H19 N O3 S
SMILES:OC2C(O)C(NCc1ccccc1)C(SC)C2O
InChi:InChI=1S/C13H19NO3S/c1-18-13-9(10(15)11(16)12(13)17)14-7-8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10+,11+,12+,13+/m0/s1
定義日:2006-01-24
最終更新日:2011-06-04
識別子（ID）:(1R,2R,3R,4S,5R)-4-(benzylamino)-5-(methylsulfanyl)cyclopentane-1,2,3-triol
2SM
2SM
表記:methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
組成式:C14 H14 N4 O5 S
SMILES:O=C(Nc1nc(ccn1)C)NS(=O)(=O)c2ccccc2C(=O)OC
InChi:InChI=1S/C14H14N4O5S/c1-9-7-8-15-13(16-9)17-14(20)18-24(21,22)11-6-4-3-5-10(11)12(19)23-2/h3-8H,1-2H3,(H2,15,16,17,18,20)
定義日:2008-10-06
最終更新日:2011-06-04
識別子（ID）:methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
KXN
KXN
表記:(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
組成式:C15 H14 O6
SMILES:Oc1ccc(cc1O)C3Oc2cc(O)cc(O)c2CC3O
InChi:InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
定義日:2008-07-25
最終更新日:2011-06-04
識別子（ID）:(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
KXO
KXO
表記:6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
組成式:C19 H19 F4 N3 O
SMILES:Fc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F
InChi:InChI=1S/C19H19F4N3O/c20-15-3-1-2-13(10-15)17-5-4-14(11-24-17)18(27)25-16-6-8-26(9-7-16)12-19(21,22)23/h1-5,10-11,16H,6-9,12H2,(H,25,27)
定義日:2009-12-09
最終更新日:2011-06-04
識別子（ID）:6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
2ST
2ST
表記:5-METHYL-2'-SE-METHYL-2'-SELENOURIDINE 5'-(DIHYDROGEN PHOSPHATE)
組成式:C11 H17 N2 O8 P Se
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(O)C2[Se]C)COP(=O)(O)O
InChi:InChI=1S/C11H17N2O8PSe/c1-5-3-13(11(16)12-9(5)15)10-8(23-2)7(14)6(21-10)4-20-22(17,18)19/h3,6-8,10,14H,4H2,1-2H3,(H,12,15,16)(H2,17,18,19)/t6-,7-,8-,10-/m1/s1
定義日:2006-06-16
最終更新日:2011-06-04
識別子（ID）:5-methyl-2'-Se-methyl-2'-selenouridine 5'-(dihydrogen phosphate)
2T0
2T0
表記:2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate
組成式:C11 H11 N2 O4 P S
SMILES:O=P(O)(O)Oc3ccc2c(c1nc(sc1CC2)N)c3
InChi:InChI=1S/C11H11N2O4PS/c12-11-13-10-8-5-7(17-18(14,15)16)3-1-6(8)2-4-9(10)19-11/h1,3,5H,2,4H2,(H2,12,13)(H2,14,15,16)
定義日:2009-05-11
最終更新日:2011-06-04
識別子（ID）:2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate
2T1
2T1
表記:2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid
組成式:C20 H19 F3 N2 O3
SMILES:O=C(Nc1ccccc1C(=O)O)N3CCC(c2ccccc2C(F)(F)F)CC3
InChi:InChI=1S/C20H19F3N2O3/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(28)24-17-8-4-2-6-15(17)18(26)27/h1-8,13H,9-12H2,(H,24,28)(H,26,27)
定義日:2009-01-05
最終更新日:2011-06-04
識別子（ID）:2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid
2T3
2T3
表記:(2R,3R)-4-ANILINO-2,3-DIHYDROXY-4-OXOBUTANOIC ACID
組成式:C10 H11 N O5
SMILES:O=C(Nc1ccccc1)C(O)C(O)C(=O)O
InChi:InChI=1S/C10H11NO5/c12-7(8(13)10(15)16)9(14)11-6-4-2-1-3-5-6/h1-5,7-8,12-13H,(H,11,14)(H,15,16)/t7-,8-/m1/s1
定義日:2007-03-14
最終更新日:2011-06-04
識別子（ID）:(2R,3R)-2,3-dihydroxy-4-oxo-4-(phenylamino)butanoic acid
2T4
2T4
表記:{[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
組成式:C11 H11 N2 O4 P S
SMILES:O=P(O)(O)COc1c2c(ccc1)Cc3sc(nc23)N
InChi:InChI=1S/C11H11N2O4PS/c12-11-13-10-8(19-11)4-6-2-1-3-7(9(6)10)17-5-18(14,15)16/h1-3H,4-5H2,(H2,12,13)(H2,14,15,16)
定義日:2009-10-22
最終更新日:2011-06-04
識別子（ID）:{[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid

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