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F01
F01
表記:4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one
組成式:C9 H12 F N3 O5
SMILES:FC=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)CO)N
InChi:InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1
別名:4-amino-5-fluoro-1-((2R,3S,4R,5R)-tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)furan-2-yl)pyrimidin-2(1H)-one
定義日:2008-09-29
最終更新日:2020-06-17
識別子（ID）:5-fluorocytidine
F0G
F0G
表記:(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine
組成式:C11 H15 N2 O7 P
SMILES:n1c(c(O)c(C=NC(C(O)=O)C)c(COP(O)(O)=O)c1)C
InChi:InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,7,14H,5H2,1-2H3,(H,15,16)(H2,17,18,19)/b13-4+/t7-/m0/s1
別名:PLP-Ala
定義日:2018-02-22
最終更新日:2020-06-17
公開日:2018-03-21
識別子（ID）:(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine
F0M
F0M
表記:2-methoxy-4-nitrophenol
組成式:C7 H7 N O4
SMILES:COc1c(O)ccc(c1)N(=O)=O
InChi:InChI=1S/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3
別名:4-Nitroguaiacol
定義日:2018-02-22
最終更新日:2020-06-17
公開日:2019-01-16
識別子（ID）:2-methoxy-4-nitrophenol
F1J
F1J
表記:(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide
組成式:C14 H20 F N3 O S
SMILES:Fc1ccc(cc1)CN2CC(NCC2)C(=O)NCCS
InChi:InChI=1S/C14H20FN3OS/c15-12-3-1-11(2-4-12)9-18-7-5-16-13(10-18)14(19)17-6-8-20/h1-4,13,16,20H,5-10H2,(H,17,19)/t13-/m0/s1
別名:4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(2-mercapto-ethyl)-amide
定義日:2008-03-19
最終更新日:2020-06-17
識別子（ID）:(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide
F1L
F1L
表記:N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
組成式:C18 H27 Br N2 O3 S
SMILES:Brc1cc(c(OC)c(OC)c1)CN2CCC(NC(=O)CCCS)CC2
InChi:InChI=1S/C18H27BrN2O3S/c1-23-16-11-14(19)10-13(18(16)24-2)12-21-7-5-15(6-8-21)20-17(22)4-3-9-25/h10-11,15,25H,3-9,12H2,1-2H3,(H,20,22)
別名:N-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide
定義日:2008-03-20
最終更新日:2020-06-17
識別子（ID）:N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
PQJ
PQJ
表記:fos-choline-14
組成式:C19 H43 N O4 P
SMILES:CCCCCCCCCCCCCCO[P](O)(=O)OCC[N](C)(C)C
InChi:InChI=1S/C19H43NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-23-25(21,22)24-19-17-20(2,3)4/h5-19H2,1-4H3,(H,21,22)
別名:tetradecyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate
定義日:2019-08-21
最終更新日:2020-06-17
公開日:2020-03-25
識別子（ID）:tetradecyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate
F24
F24
表記:(7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid
組成式:C18 H30 O5
SMILES:O=C(O)C=C(C=C(/C)CC(CCCCC(O)C(C=O)CO)C)C
InChi:InChI=1S/C18H30O5/c1-13(8-14(2)9-15(3)10-18(22)23)6-4-5-7-17(21)16(11-19)12-20/h9-11,13,16-17,20-21H,4-8,12H2,1-3H3,(H,22,23)/b14-9+,15-10?/t13-,16-,17-/m1/s1
別名:Antibiotic 1233A, Bound Form
定義日:2005-12-23
最終更新日:2020-06-17
識別子（ID）:(2E,4E,7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid
F27
F27
表記:6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
組成式:C24 H18 N2 O4
SMILES:O=C(c1ncc(o1)c2nc(C(=O)O)ccc2)CCc4ccc(c3ccccc3)cc4
InChi:InChI=1S/C24H18N2O4/c27-21(14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17)23-25-15-22(30-23)19-7-4-8-20(26-19)24(28)29/h1-10,12-13,15H,11,14H2,(H,28,29)
別名:6-(2-(3-(biphenyl-4-yl)propanoyl)oxazol-5-yl)picolinate
定義日:2009-10-20
最終更新日:2020-06-17
識別子（ID）:6-{2-[3-(biphenyl-4-yl)propanoyl]-1,3-oxazol-5-yl}pyridine-2-carboxylic acid
F2C
F2C
表記:6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
組成式:C22 H22 N2 O4
SMILES:O=C(c1ncc(o1)c2nc(C(=O)O)ccc2)CCCCCCc3ccccc3
InChi:InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27)
別名:6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinate
定義日:2009-10-14
最終更新日:2020-06-17
識別子（ID）:6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
PR1
PR1
表記:4-HYDROXY-3-[2-OXO-3-(THIENO[3,2-B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-1-YLMETHYL]-BENZAMIDINE
組成式:C19 H19 N5 O4 S2
SMILES:O=C2N(Cc1cc(C(=[N@H])N)ccc1O)CCC2NS(=O)(=O)c4sc3cccnc3c4
InChi:InChI=1S/C19H19N5O4S2/c20-18(21)11-3-4-15(25)12(8-11)10-24-7-5-13(19(24)26)23-30(27,28)17-9-14-16(29-17)2-1-6-22-14/h1-4,6,8-9,13,23,25H,5,7,10H2,(H3,20,21)/t13-/m0/s1
別名:RPR131247
定義日:2000-05-22
最終更新日:2020-06-17
識別子（ID）:4-hydroxy-3-({(3S)-2-oxo-3-[(thieno[3,2-b]pyridin-2-ylsulfonyl)amino]pyrrolidin-1-yl}methyl)benzenecarboximidamide
F2M
F2M
表記:(~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine
組成式:C9 H13 N O
SMILES:CC=CN(C)Cc1occc1
InChi:InChI=1S/C9H13NO/c1-3-6-10(2)8-9-5-4-7-11-9/h3-7H,8H2,1-2H3/b6-3+
別名:F2MPA
定義日:2017-01-03
最終更新日:2020-06-17
公開日:2017-01-11
識別子（ID）:(~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine
PR2
PR2
表記:THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE
組成式:C19 H17 N5 O3 S2
SMILES:O=C3N(Cc2cc1ccncc1n2)CCC3NS(=O)(=O)c5sc4cccnc4c5
InChi:InChI=1S/C19H17N5O3S2/c25-19-14(23-29(26,27)18-9-15-17(28-18)2-1-5-21-15)4-7-24(19)11-13-8-12-3-6-20-10-16(12)22-13/h1-3,5-6,8-10,14,22-23H,4,7,11H2/t14-/m0/s1
別名:RPR208707
定義日:2000-05-22
最終更新日:2020-06-17
識別子（ID）:N-[(3S)-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide
F3H
F3H
表記:1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol
組成式:C11 H16 F N2 O8 P
SMILES:O=P(O)(O)OCC2OCC(N1C(=O)NC(=O)C(=C1)C)C(F)C2O
InChi:InChI=1S/C11H16FN2O8P/c1-5-2-14(11(17)13-10(5)16)6-3-21-7(9(15)8(6)12)4-22-23(18,19)20/h2,6-9,15H,3-4H2,1H3,(H,13,16,17)(H2,18,19,20)/t6-,7-,8+,9-/m1/s1
別名:1,5-anhydro-2,3-dideoxy-3-fluoro-2-(thymin-1-yl)-D-altritol-5-dihydrogenphosphate
定義日:2011-01-04
最終更新日:2020-06-17
識別子（ID）:1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol
PRX
PRX
表記:ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER
組成式:C13 H20 N5 O7 P
SMILES:OC1C(OC(COP(=O)(O)OCCC)C1O)n2cnc3c2ncnc3N
InChi:InChI=1S/C13H20N5O7P/c1-2-3-23-26(21,22)24-4-7-9(19)10(20)13(25-7)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
別名:ADENOSINE-5'-PROPYLPHOSPHATE
定義日:2003-02-18
最終更新日:2020-06-17
識別子（ID）:5'-O-[(R)-hydroxy(propoxy)phosphoryl]adenosine
PSM
PSM
表記:N-[DIHYDROXY(PROPYL)-LAMBDA~4~-SULFANYL]THREONYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}METHIONINAMIDE
組成式:C20 H33 N5 O5 S2
SMILES:O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=[N@H])N)CCSC)C(O)C)CCC
InChi:InChI=1S/C20H33N5O5S2/c1-4-11-32(29,30)25-17(13(2)26)20(28)24-16(9-10-31-3)19(27)23-12-14-5-7-15(8-6-14)18(21)22/h5-8,13,16-17,25-26H,4,9-12H2,1-3H3,(H3,21,22)(H,23,27)(H,24,28)/t13-,16-,17+/m0/s1
別名:N-[1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-3-METHYLSULFANYL-PROPYL]-3-HYDROXY-2-PROPOXYAMINO-BUTYRAMID
定義日:2004-10-14
最終更新日:2020-06-17
識別子（ID）:N-(propylsulfonyl)-D-threonyl-N-(4-carbamimidoylbenzyl)-L-methioninamide
PSN
PSN
表記:BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE
組成式:C14 H13 O5 P
SMILES:O=P(OCc1ccccc1)(Oc2ccccc2C=O)O
InChi:InChI=1S/C14H13O5P/c15-10-13-8-4-5-9-14(13)19-20(16,17)18-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,16,17)
別名:PASBN
定義日:2003-06-20
最終更新日:2020-06-17
識別子（ID）:benzyl 2-formylphenyl hydrogen (R)-phosphate
F4M
F4M
表記:1-[4-({(1R)-1-[(6S,7R)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5 -O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol
組成式:C31 H45 N6 O17 P
SMILES:O=C2N=C(N)NC=1NC(C)C(N(C=O)C=12)C(Nc3ccc(cc3)CC(O)C(O)C(O)COC4OC(C(O)C4O)COP(=O)(OC(C(=O)O)CCC(=O)O)O)C
InChi:InChI=1S/C31H45N6O17P/c1-13(22-14(2)34-27-23(37(22)12-38)28(46)36-31(32)35-27)33-16-5-3-15(4-6-16)9-17(39)24(43)18(40)10-51-30-26(45)25(44)20(53-30)11-52-55(49,50)54-19(29(47)48)7-8-21(41)42/h3-6,12-14,17-20,22,24-26,30,33,39-40,43-45H,7-11H2,1-2H3,(H,41,42)(H,47,48)(H,49,50)(H4,32,34,35,36,46)/t13-,14?,17+,18-,19-,20-,22?,24+,25-,26-,30+/m1/s1
別名:N5-formyl-tetrahydromethanopterin
定義日:2012-09-20
最終更新日:2020-06-17
公開日:2012-10-26
識別子（ID）:1-[4-({(1R)-1-[(6S,7R)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol
PT5
PT5
表記:[(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate
組成式:C47 H85 O19 P3
SMILES:CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
InChi:InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11?,19-17?,24-22-,30-28?/t39-,42-,43+,44+,45-,46-,47-/m1/s1
別名:Phosphatidylinositol 4,5-bisphosphate
定義日:2009-04-22
最終更新日:2020-06-17
識別子（ID）:[(2~{R})-1-octadecanoyloxy-3-[oxidanyl-[(1~{R},2~{R},3~{S},4~{R},5~{R},6~{S})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (8~{Z})-icosa-5,8,11,14-tetraenoate
PTG
PTG
表記:(5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid
組成式:C20 H28 O3
SMILES:O=C1C=CC(C/1=CC=CCCCCC)C/C=C/CCCC(=O)O
InChi:InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7+,10-6+,18-13-/t17-/m0/s1
別名:15-deoxy-delta(12,14)-prostaglandin J2
定義日:2008-03-16
最終更新日:2020-06-17
識別子（ID）:(5E,12Z,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid
PTQ
PTQ
表記:2-phenylethyl 1-thio-beta-D-galactopyranoside
組成式:C14 H20 O5 S
SMILES:S(CCc1ccccc1)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C14H20O5S/c15-8-10-11(16)12(17)13(18)14(19-10)20-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11+,12+,13-,14+/m1/s1
別名:2-Phenylethyl beta-D-thiogalactoside, PETG
定義日:2010-08-26
最終更新日:2020-06-17
識別子（ID）:2-phenylethyl 1-thio-beta-D-galactopyranoside
PTW
PTW
表記:1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane
組成式:C6 H12 N3 P
SMILES:N13CN2CN(CP(C1)C2)C3
InChi:InChI=1S/C6H12N3P/c1-7-2-9-3-8(1)5-10(4-7)6-9/h1-6H2
別名:1,3,5-Triaza-7-phosphaadamantane
定義日:2010-05-06
最終更新日:2020-06-17
識別子（ID）:1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane
F5P
F5P
表記:(2R,3R,4S,5R,6S)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
組成式:C17 H28 N4 O15 P2
SMILES:C(OP(OP(OC1C(NC(C)=O)C(C(N)C(C)O1)O)(O)=O)(O)=O)C3C(C(C(N2C(NC(=O)C=C2)=O)O3)O)O
InChi:InChI=1S/C17H28N4O15P2/c1-6-10(18)13(25)11(19-7(2)22)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(23)20-17(21)27/h3-4,6,8,10-16,24-26H,5,18H2,1-2H3,(H,19,22)(H,28,29)(H,30,31)(H,20,23,27)/t6-,8+,10-,11+,12+,13-,14+,15+,16+/m0/s1
別名:UDP-4-amino-4,6-dideoxy-L-AltNAc
定義日:2018-02-28
最終更新日:2020-06-17
公開日:2018-10-17
識別子（ID）:(2R,3R,4S,5R,6S)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
F6F
F6F
表記:2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE
組成式:C10 H11 F3 N O6 P
SMILES:FC(F)(F)Oc1ccc(cc1)C(=O)NCCOP(=O)(O)O
InChi:InChI=1S/C10H11F3NO6P/c11-10(12,13)20-8-3-1-7(2-4-8)9(15)14-5-6-19-21(16,17)18/h1-4H,5-6H2,(H,14,15)(H2,16,17,18)
別名:N-(4'-TRIFLUOROMETHOXYBENZOYL)-2-AMINO-1-ETHYLPHOSPHATE, F6
定義日:2004-08-04
最終更新日:2020-06-17
識別子（ID）:2-({[4-(trifluoromethoxy)phenyl]carbonyl}amino)ethyl dihydrogen phosphate
PVK
PVK
表記:(S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1H,3H)-dione
組成式:C9 H11 N3 O5
SMILES:N[CH](CN1C(=O)NC(=O)C2=C1COC2)C(O)=O
InChi:InChI=1S/C9H11N3O5/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h5H,1-3,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1
別名:(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)furo[3,4-d]pyrimidin-1-yl]propanoic acid
定義日:2020-04-28
最終更新日:2020-06-17
公開日:2020-06-03
識別子（ID）:(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrofuro[3,4-d]pyrimidin-1-yl]propanoic acid
F83
F83
表記:(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE
組成式:C16 H17 Cl N2 O3 S
SMILES:Clc1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)CNC(C3)CO
InChi:InChI=1S/C16H17ClN2O3S/c17-13-2-4-14(5-3-13)19-23(21,22)16-6-1-11-7-15(10-20)18-9-12(11)8-16/h1-6,8,15,18-20H,7,9-10H2/t15-/m1/s1
別名:3-HYDROXYMETHYL-7-(N-4-CHLOROPHENYLAMINOSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
定義日:2006-03-09
最終更新日:2020-06-17
識別子（ID）:(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

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件を2024-09-04に公開中

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