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TNB
TNB
表記:S-(2,3,6-TRINITROPHENYL)CYSTEINE
組成式:C9 H8 N4 O8 S
SMILES:[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1SCC(C(=O)O)N)[N+]([O-])=O
InChi:InChI=1S/C9H8N4O8S/c10-5(9(14)15)3-22-8-6(12(18)19)1-4(11(16)17)2-7(8)13(20)21/h1-2,5H,3,10H2,(H,14,15)/t5-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:S-(2,4,6-trinitrophenyl)-L-cysteine
TND
TND
表記:N-1,2,3,4-TETRAHYDRONAPHTH-1-YL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE
組成式:C29 H32 N6 O6
SMILES:O=C(c1cc(OC)cc(OC)c1)NC6C(O)C(OC6n3cnc2c(ncnc23)NC5c4ccccc4CCC5)CO
InChi:InChI=1S/C29H32N6O6/c1-39-18-10-17(11-19(12-18)40-2)28(38)34-23-25(37)22(13-36)41-29(23)35-15-32-24-26(30-14-31-27(24)35)33-21-9-5-7-16-6-3-4-8-20(16)21/h3-4,6,8,10-12,14-15,21-23,25,29,36-37H,5,7,9,13H2,1-2H3,(H,34,38)(H,30,31,33)/t21-,22-,23-,25-,29-/m1/s1
定義日:2001-02-21
最終更新日:2011-06-04
識別子（ID）:2'-deoxy-2'-{[(3,5-dimethoxyphenyl)carbonyl]amino}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]adenosine
0AG
0AG
表記:N-(ethoxycarbonyl)-L-leucine
組成式:C9 H17 N O4
SMILES:O=C(OCC)NC(C(=O)O)CC(C)C
InChi:InChI=1S/C9H17NO4/c1-4-14-9(13)10-7(8(11)12)5-6(2)3/h6-7H,4-5H2,1-3H3,(H,10,13)(H,11,12)/t7-/m0/s1
定義日:2007-11-11
最終更新日:2011-06-04
識別子（ID）:N-(ethoxycarbonyl)-L-leucine
0AI
0AI
表記:methyl 2-(acetylamino)-2-deoxy-alpha-D-galactopyranosiduronic acid
組成式:C9 H15 N O7
SMILES:O=C(O)C1OC(OC)C(NC(=O)C)C(O)C1O
InChi:InChI=1S/C9H15NO7/c1-3(11)10-4-5(12)6(13)7(8(14)15)17-9(4)16-2/h4-7,9,12-13H,1-2H3,(H,10,11)(H,14,15)/t4-,5-,6-,7+,9+/m1/s1
定義日:2007-11-11
最終更新日:2011-06-04
識別子（ID）:methyl 2-(acetylamino)-2-deoxy-alpha-D-galactopyranosiduronic acid
0AJ
0AJ
表記:(1R)-1-(ethylsulfanyl)-1-(methylsulfanyl)ethane
組成式:C5 H12 S2
SMILES:S(C)C(SCC)C
InChi:InChI=1S/C5H12S2/c1-4-7-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1
定義日:2007-11-11
最終更新日:2011-06-04
識別子（ID）:(1R)-1-(ethylsulfanyl)-1-(methylsulfanyl)ethane
TNK
TNK
表記:6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL
組成式:C22 H24 N2 O3
SMILES:O=C1C(=C(N(C(=O)N1)COCc2ccccc2)Cc3ccccc3)C(C)C
InChi:InChI=1S/C22H24N2O3/c1-16(2)20-19(13-17-9-5-3-6-10-17)24(22(26)23-21(20)25)15-27-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,23,25,26)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:6-benzyl-1-[(benzyloxy)methyl]-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione
0AO
0AO
表記:(2S)-2-amino-3-naphthalen-1-ylpropanal
組成式:C13 H13 N O
SMILES:O=CC(N)Cc2cccc1ccccc12
InChi:InChI=1S/C13H13NO/c14-12(9-15)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,9,12H,8,14H2/t12-/m0/s1
定義日:2007-11-11
最終更新日:2011-06-04
識別子（ID）:(2S)-2-amino-3-naphthalen-1-ylpropanal
0AP
0AP
表記:2'-deoxycytidine 3',5'-bis(dihydrogen phosphate)
組成式:C9 H15 N3 O10 P2
SMILES:O=C1N=C(N)C=CN1C2OC(C(OP(=O)(O)O)C2)COP(=O)(O)O
InChi:InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(13)11-7)8-3-5(22-24(17,18)19)6(21-8)4-20-23(14,15)16/h1-2,5-6,8H,3-4H2,(H2,10,11,13)(H2,14,15,16)(H2,17,18,19)/t5-,6+,8+/m0/s1
定義日:2007-11-11
最終更新日:2011-06-04
識別子（ID）:2'-deoxycytidine 3',5'-bis(dihydrogen phosphate)
TNT
TNT
表記:1,3-BIS(AMIDINOPHENOXY)PROPANE
組成式:C17 H20 N4 O2
SMILES:O(c1ccc(cc1)C(=[N@H])N)CCCOc2ccc(C(=[N@H])N)cc2
InChi:InChI=1S/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4,4'-[propane-1,3-diylbis(oxy)]dibenzenecarboximidamide
0AY
0AY
表記:diethyl [(1R)-1,5-diaminopentyl]boronate
組成式:C9 H23 B N2 O2
SMILES:O(B(OCC)C(N)CCCCN)CC
InChi:InChI=1S/C9H23BN2O2/c1-3-13-10(14-4-2)9(12)7-5-6-8-11/h9H,3-8,11-12H2,1-2H3/t9-/m0/s1
定義日:2007-11-09
最終更新日:2011-06-04
識別子（ID）:diethyl [(1R)-1,5-diaminopentyl]boronate
TOB
TOB
表記:1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANE
組成式:C6 H16 N2 O2
SMILES:OC1CC([NH3+])CC([NH3+])C1O
InChi:InChI=1S/C6H14N2O2/c7-3-1-4(8)6(10)5(9)2-3/h3-6,9-10H,1-2,7-8H2/p+2/t3-,4+,5-,6-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(1S,3R,4S,5S)-4,5-dihydroxycyclohexane-1,3-diaminium
TOH
TOH
表記:(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-3-ENOIC ACID
組成式:C10 H8 O4
SMILES:O=C(O)C(=O)/C=Cc1ccccc1O
InChi:InChI=1S/C10H8O4/c11-8-4-2-1-3-7(8)5-6-9(12)10(13)14/h1-6,11H,(H,13,14)
定義日:2006-12-11
最終更新日:2011-06-04
識別子（ID）:(3Z)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid
TOL
TOL
表記:TOLRESTAT
組成式:C16 H14 F3 N O3 S
SMILES:O=C(O)CN(C(=S)c2c1ccc(OC)c(c1ccc2)C(F)(F)F)C
InChi:InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine
TOM
TOM
表記:4-(2-METHOXYPHENYL)-2-OXOBUT-3-ENOIC ACID
組成式:C11 H10 O4
SMILES:O=C(O)C(=O)/C=Cc1ccccc1OC
InChi:InChI=1S/C11H10O4/c1-15-10-5-3-2-4-8(10)6-7-9(12)11(13)14/h2-7H,1H3,(H,13,14)/b7-6-
定義日:2006-12-11
最終更新日:2011-06-04
識別子（ID）:(3Z)-4-(2-methoxyphenyl)-2-oxobut-3-enoic acid
TON
TON
表記:2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL
組成式:C18 H30 O3
SMILES:O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCO
InChi:InChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3
定義日:2004-03-03
最終更新日:2011-06-04
識別子（ID）:2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethanol
TOP
TOP
表記:TRIMETHOPRIM
組成式:C14 H18 N4 O3
SMILES:n1c(N)c(cnc1N)Cc2cc(OC)c(OC)c(OC)c2
InChi:InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine
TOU
TOU
表記:THIOUREA
組成式:C H4 N2 S
SMILES:S=C(N)N
InChi:InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
定義日:2005-11-23
最終更新日:2011-06-04
識別子（ID）:thiourea
0C
0C
表記:L-CYTIDINE-5'-MONOPHOSPHATE
組成式:C9 H14 N3 O8 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
InChi:InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(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）:4-amino-1-(5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one
TP1
TP1
表記:2-(METHYLAMINO)-ETHYLGLYCINE-CARBONYLMETHYLENE-THYMINE
組成式:C12 H18 N4 O5
SMILES:O=C(N(CC(=O)O)CCNC)CN1C=C(C(=O)NC1=O)C
InChi:InChI=1S/C12H18N4O5/c1-8-5-16(12(21)14-11(8)20)6-9(17)15(4-3-13-2)7-10(18)19/h5,13H,3-4,6-7H2,1-2H3,(H,18,19)(H,14,20,21)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-[2-(methylamino)ethyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
TP5
TP5
表記:THIOPHENE-3-CARBOXIMIDAMIDE
組成式:C5 H6 N2 S
SMILES:[N@H]=C(N)c1ccsc1
InChi:InChI=1S/C5H6N2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H3,6,7)
定義日:2005-09-13
最終更新日:2011-06-04
識別子（ID）:thiophene-3-carboximidamide
TP6
TP6
表記:3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1-PHOSPHATE
組成式:C15 H25 N4 O11 P
SMILES:O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCCCOP(=O)(O)O)CC(O)C(O)C(O)CO
InChi:InChI=1S/C15H25N4O11P/c20-7-9(22)11(23)8(21)6-19-12-10(13(24)17-14(25)16-12)18(15(19)26)4-2-1-3-5-30-31(27,28)29/h8-9,11,20-23H,1-7H2,(H2,27,28,29)(H2,16,17,24,25)/t8-,9-,11+/m1/s1
定義日:2005-12-09
最終更新日:2011-06-04
識別子（ID）:1-deoxy-1-{2,6,8-trioxo-7-[5-(phosphonooxy)pentyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol
TP9
TP9
表記:(3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE
組成式:C11 H18 N4 O7 P2 S
SMILES:CC(NCc1cnc(C)nc1N)=C(S)CCO[P]([O-])(=O)O[P](O)([O-])=O
InChi:InChI=1S/C11H20N4O7P2S/c1-7(13-5-9-6-14-8(2)15-11(9)12)10(25)3-4-21-24(19,20)22-23(16,17)18/h6,13,25H,3-5H2,1-2H3,(H,19,20)(H2,12,14,15)(H2,16,17,18)/p-2/b10-7-
定義日:2006-10-20
最終更新日:2011-06-04
識別子（ID）:[[(Z)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]-3-sulfanyl-pent-3-enoxy]-oxido-phosphoryl] hydrogen phosphate
TPA
TPA
表記:TRANS-2-PHENYLCYCLOPROPYLAMINE
組成式:C9 H12 N
SMILES:c1cccc(c1)C2CC2[NH3+]
InChi:InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/p+1/t8-,9+/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(1S,2R)-2-phenylcyclopropanaminium
0CE
0CE
表記:2-methyl-11-(1-methylethyl)-8-[(2S)-tetrahydro-2H-pyran-2-yl]-2,11,12,13-tetrahydro-4H-indazolo[5,4-a]pyrrolo[3,4-c]carbazol-4-one
組成式:C28 H28 N4 O2
SMILES:CC(C)n1c2ccc(cc2c3c4C=NC(=O)c4c5c(CCc6nn(C)cc56)c13)[CH]7CCCCO7
InChi:InChI=1S/C28H28N4O2/c1-15(2)32-22-10-7-16(23-6-4-5-11-34-23)12-18(22)25-19-13-29-28(33)26(19)24-17(27(25)32)8-9-21-20(24)14-31(3)30-21/h7,10,12-15,23H,4-6,8-9,11H2,1-3H3/t23-/m0/s1
定義日:2010-01-13
最終更新日:2011-06-04
TPB
TPB
表記:4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE
組成式:C20 H19 N5
SMILES:N#Cc1ccc(cc1)Nc2nc(ccn2)Nc3c(cc(cc3C)C)C
InChi:InChI=1S/C20H19N5/c1-13-10-14(2)19(15(3)11-13)24-18-8-9-22-20(25-18)23-17-6-4-16(12-21)5-7-17/h4-11H,1-3H3,(H2,22,23,24,25)
定義日:2001-12-19
最終更新日:2011-06-04
識別子（ID）:4-({4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile

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