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KRV

KRV
Name:	3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
Formula:	C18 H19 N3 O3
SMILES:	CCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C
InChi:	InChI=1S/C18H19N3O3/c1-5-21-15(14(10(2)3)17(23)20-18(21)24)16(22)13-7-11(4)6-12(8-13)9-19/h6-8,10H,5H2,1-4H3,(H,20,23,24)
Definition date:	2010-01-15
Last modified:	2011-06-04
Identifier:	3-(3-ethyl-2,6-dioxo-5-propan-2-yl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile

KYS

KYS
Name:	N-(4-{[(2-AMINOETHYL)AMINO]SULFONYL}PHENYL)-5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANAMIDE-(1,2,3,4,5,6-ETA)-BENZENE-CHLORO-RUTHENIUM(III)
Formula:	C24 H31 Cl N5 O4 Ru S2
SMILES:	Cl[Ru]1\|2\|3\|4\|5\|6(NCCN1[S](=O)(=O)c7ccc(NC(=O)CCCC[CH]8SC[CH]9NC(=O)N[CH]89)cc7)\|C%10=C\|2C\|3=C\|4C\|5=C\|6%10
InChi:	InChI=1S/C18H25N5O4S2.C6H6.ClH.Ru/c19-9-10-20-29(26,27)13-7-5-12(6-8-13)21-16(24)4-2-1-3-15-17-14(11-28-15)22-18(25)23-17
Definition date:	2007-07-09
Last modified:	2011-06-04

KYT

KYT
Name:	(3AS,4S,6AR)-4-(5-((3R,4R)-3,4-DIAMINOPYRROLIDIN-1-YL)-5-OXOPENTYL)TETRAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-2(3H)-ONE-P-CYMENE-CHLORO-RUTHENIUM(III)
Formula:	C24 H39 Cl N5 O2 Ru S
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)N7CC6N[Ru+]45(Cl)(C3=CC5(=CC4=C3C)C(C)C)NC6C7
InChi:	InChI=1S/C14H25N5O2S.C10H14.ClH.Ru/c15-8-5-19(6-9(8)16)12(20)4-2-1-3-11-13-10(7-22-11)17-14(21)18-13
Definition date:	2009-08-10
Last modified:	2011-06-04
Identifier:	chloro[(3aS,4S,6aR)-4-{5-[(3R,4R)-3,4-di(amino-kappaN)pyrrolidin-1-yl]-5-oxopentyl}tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one][1-methyl-4-(propan-2-yl)benzene-kappa~3~C~2~,C~4~,C~6~]ruthenium(1+)

JS7

JS7
Name:	4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide
Formula:	C13 H15 N5 O5 S
SMILES:	O=S(=O)(N)c1ccc(cc1)CCNc2ncnc(OC)c2[N+]([O-])=O
InChi:	InChI=1S/C13H15N5O5S/c1-23-13-11(18(19)20)12(16-8-17-13)15-7-6-9-2-4-10(5-3-9)24(14,21)22/h2-5,8H,6-7H2,1H3,(H2,14,21,22)(H,15,16,17)
Definition date:	2010-03-29
Last modified:	2011-06-04
Identifier:	4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide

JZD

JZD
Name:	2,2'-{undecane-1,11-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid
Formula:	C37 H38 Cl4 N2 O6
SMILES:	Clc3cc(cc(Cl)c3OCCCCCCCCCCCOc2c(Cl)cc(Nc1ccccc1C(=O)O)cc2Cl)Nc4ccccc4C(=O)O
InChi:	InChI=1S/C37H38Cl4N2O6/c38-28-20-24(42-32-16-10-8-14-26(32)36(44)45)21-29(39)34(28)48-18-12-6-4-2-1-3-5-7-13-19-49-35-30(40)22-25(23-31(35)41)43-33-17-11-9-15-27(33)37(46)47/h8-11,14-17,20-23,42-43H,1-7,12-13,18-19H2,(H,44,45)(H,46,47)
Definition date:	2009-08-19
Last modified:	2011-06-04
Identifier:	2,2'-{undecane-1,11-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid

JZE

JZE
Name:	2,2'-{heptane-1,7-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid
Formula:	C33 H30 Cl4 N2 O6
SMILES:	Clc3cc(cc(Cl)c3OCCCCCCCOc2c(Cl)cc(Nc1ccccc1C(=O)O)cc2Cl)Nc4ccccc4C(=O)O
InChi:	InChI=1S/C33H30Cl4N2O6/c34-24-16-20(38-28-12-6-4-10-22(28)32(40)41)17-25(35)30(24)44-14-8-2-1-3-9-15-45-31-26(36)18-21(19-27(31)37)39-29-13-7-5-11-23(29)33(42)43/h4-7,10-13,16-19,38-39H,1-3,8-9,14-15H2,(H,40,41)(H,42,43)
Definition date:	2009-08-19
Last modified:	2011-06-04
Identifier:	2,2'-{heptane-1,7-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid

E27

E27
Name:	2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide
Formula:	C18 H13 Cl N4 O3 S2
SMILES:	O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)CSc4nc3cnc2ccccc2c3n4
InChi:	InChI=1S/C18H13ClN4O3S2/c19-12-6-5-10(7-16(12)28(20,25)26)15(24)9-27-18-22-14-8-21-13-4-2-1-3-11(13)17(14)23-18/h1-8H,9H2,(H,22,23)(H2,20,25,26)
Definition date:	2010-05-12
Last modified:	2011-06-04
Identifier:	2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide

E36

E36
Name:	2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide
Formula:	C17 H14 Cl N3 O5 S2
SMILES:	O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)CSc2nc4c(n2)cc3OCCOc3c4
InChi:	InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24)
Definition date:	2010-03-30
Last modified:	2011-06-04
Identifier:	2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide

E38

E38
Name:	5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
Formula:	C15 H11 Br Cl N3 O3 S2
SMILES:	O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)CSc3nc2cc(Br)ccc2n3
InChi:	InChI=1S/C15H11BrClN3O3S2/c16-9-2-4-11-12(6-9)20-15(19-11)24-7-13(21)8-1-3-10(17)14(5-8)25(18,22)23/h1-6H,7H2,(H,19,20)(H2,18,22,23)
Definition date:	2010-03-22
Last modified:	2011-06-04
Identifier:	5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide

E70

E70
Name:	N-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzenesulfonamide
Formula:	C18 H17 N3 O4 S
SMILES:	O=S(=O)(c1ccc(OC)cc1)Nc3cccnc3Nc2ccc(O)cc2
InChi:	InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)
Definition date:	2009-05-27
Last modified:	2011-06-04
Identifier:	N-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzenesulfonamide

E96

E96
Name:	4-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZOLE-5-YL}-BENZIMIDAZOLE-2-YL-[4-HYDROXY-BENZENE]
Formula:	C26 H18 N4 O2
SMILES:	Oc1ccc(cc1)c6nc5ccc(c4cc2c(nc(n2)c3ccc(O)cc3)cc4)cc5n6
InChi:	InChI=1S/C26H18N4O2/c31-19-7-1-15(2-8-19)25-27-21-11-5-17(13-23(21)29-25)18-6-12-22-24(14-18)30-26(28-22)16-3-9-20(32)10-4-16/h1-14,31-32H,(H,27,29)(H,28,30)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4,4'-(3H,3'H-5,5'-bibenzimidazole-2,2'-diyl)diphenol

E97

E97
Name:	[3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)-PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL-2-YL}-PHENOXY)-PROPYL]-DIMETHYL-AMINE
Formula:	C36 H40 N6 O2
SMILES:	O(c1ccc(cc1)c6nc5ccc(c4ccc2c(nc(n2)c3ccc(OCCCN(C)C)cc3)c4)cc5n6)CCCN(C)C
InChi:	InChI=1S/C36H40N6O2/c1-41(2)19-5-21-43-29-13-7-25(8-14-29)35-37-31-17-11-27(23-33(31)39-35)28-12-18-32-34(24-28)40-36(38-32)26-9-15-30(16-10-26)44-22-6-20-42(3)4/h7-18,23-24H,5-6,19-22H2,1-4H3,(H,37,39)(H,38,40)
Definition date:	2000-09-14
Last modified:	2011-06-04
Identifier:	3,3'-[1H,3'H-5,5'-bibenzimidazole-2,2'-diylbis(benzene-4,1-diyloxy)]bis(N,N-dimethylpropan-1-amine)

EAB

EAB
Name:	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID
Formula:	C15 H15 N3 O2
SMILES:	O=C(O)Cc2cccc(/N=N/c1cccc(c1)CN)c2
InChi:	InChI=1S/C15H15N3O2/c16-10-12-4-2-6-14(8-12)18-17-13-5-1-3-11(7-13)9-15(19)20/h1-8H,9-10,16H2,(H,19,20)/b18-17+
Definition date:	2006-06-01
Last modified:	2011-06-04
Identifier:	(3-{(E)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid

EBP

EBP
Name:	DIETHYL 4-METHYLBENZYLPHOSPHONATE
Formula:	C12 H19 O3 P
SMILES:	O=P(OCC)(OCC)Cc1ccc(cc1)C
InChi:	InChI=1S/C12H19O3P/c1-4-14-16(13,15-5-2)10-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	diethyl (4-methylbenzyl)phosphonate

EBW

EBW
Name:	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM
Formula:	C27 H38 N2 O
SMILES:	O=C(CCc1ccc(cc1)[N+](CC=C)(C)C)CCc2ccc(cc2)[N+](C)(CC=C)C
InChi:	InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2
Definition date:	2000-06-21
Last modified:	2011-06-04
Identifier:	4,4'-(3-oxopentane-1,5-diyl)bis(N,N-dimethyl-N-prop-2-en-1-ylanilinium)

ECA

ECA
Name:	N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-DIHYDROXYBENZAMIDE)
Formula:	C30 H27 N3 O9
SMILES:	O=C(c1cccc(O)c1O)NCc2cc(cc(c2)CNC(=O)c3cccc(O)c3O)CNC(=O)c4cccc(O)c4O
InChi:	InChI=1S/C30H27N3O9/c34-22-7-1-4-19(25(22)37)28(40)31-13-16-10-17(14-32-29(41)20-5-2-8-23(35)26(20)38)12-18(11-16)15-33-30(42)21-6-3-9-24(36)27(21)39/h1-12,34-39H,13-15H2,(H,31,40)(H,32,41)(H,33,42)
Definition date:	2006-03-16
Last modified:	2011-06-04
Identifier:	N,N',N''-(benzene-1,3,5-triyltrimethanediyl)tris(2,3-dihydroxybenzamide)

ED7

ED7
Name:	N-benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide
Formula:	C28 H29 N5 O2 S
SMILES:	N#Cc4ccc(N(CCN(Cc1ccccc1)S(=O)(=O)c2ccccc2C)Cc3cncn3C)cc4
InChi:	InChI=1S/C28H29N5O2S/c1-23-8-6-7-11-28(23)36(34,35)33(20-25-9-4-3-5-10-25)17-16-32(21-27-19-30-22-31(27)2)26-14-12-24(18-29)13-15-26/h3-15,19,22H,16-17,20-21H2,1-2H3
Definition date:	2008-08-11
Last modified:	2011-06-04
Identifier:	N-benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide

EG1

EG1
Name:	AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE
Formula:	C15 H24 N4 O6 S
SMILES:	O=S(=O)(N)c1ccc(C(=O)NCCOCCOCCNC(=O)CN)cc1
InChi:	InChI=1S/C15H24N4O6S/c16-11-14(20)18-5-7-24-9-10-25-8-6-19-15(21)12-1-3-13(4-2-12)26(17,22)23/h1-4H,5-11,16H2,(H,18,20)(H,19,21)(H2,17,22,23)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N-(2-{2-[2-(glycylamino)ethoxy]ethoxy}ethyl)-4-sulfamoylbenzamide

314

314
Name:	N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
Formula:	C36 H45 F2 N3 O3
SMILES:	O=C(N(CCC)CCC)c1cc(cc(c1)C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C4NCCC(Cc3ccccc3)C4
InChi:	InChI=1S/C36H45F2N3O3/c1-4-13-41(14-5-2)36(44)29-16-24(3)15-28(22-29)35(43)40-33(21-27-18-30(37)23-31(38)19-27)34(42)32-20-26(11-12-39-32)17-25-9-7-6-8-10-25/h6-10,15-16,18-19,22-23,26,32-34,39,42H,4-5,11-14,17,20-21H2,1-3H3,(H,40,43)/t26-,32-,33+,34-/m1/s1
Definition date:	2008-04-08
Last modified:	2011-06-04
Identifier:	N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide

EG2

EG2
Name:	AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE
Formula:	C13 H21 N3 O5 S
SMILES:	O=S(=O)(N)c1ccc(C(=O)NCCOCCOCCN)cc1
InChi:	InChI=1S/C13H21N3O5S/c14-5-7-20-9-10-21-8-6-16-13(17)11-1-3-12(4-2-11)22(15,18)19/h1-4H,5-10,14H2,(H,16,17)(H2,15,18,19)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N-{2-[2-(2-aminoethoxy)ethoxy]ethyl}-4-sulfamoylbenzamide

316

316
Name:	N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
Formula:	C35 H42 F2 N4 O4
SMILES:	O=C(N(CCC)CCC)c1cc(cc(c1)C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C4C(=O)N(Cc3ccccc3)CCN4
InChi:	InChI=1S/C35H42F2N4O4/c1-4-12-40(13-5-2)34(44)27-16-23(3)15-26(20-27)33(43)39-30(19-25-17-28(36)21-29(37)18-25)32(42)31-35(45)41(14-11-38-31)22-24-9-7-6-8-10-24/h6-10,15-18,20-21,30-32,38,42H,4-5,11-14,19,22H2,1-3H3,(H,39,43)/t30-,31-,32-/m0/s1
Definition date:	2008-04-08
Last modified:	2011-06-04
Identifier:	N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide

318

318
Name:	N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
Formula:	C34 H40 F2 N4 O4
SMILES:	O=C(N(CCC)CCC)c1cc(cc(c1)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C4C(=O)N(Cc3ccccc3)CN4)C
InChi:	InChI=1S/C34H40F2N4O4/c1-4-11-39(12-5-2)33(43)26-14-22(3)13-25(18-26)32(42)38-29(17-24-15-27(35)19-28(36)16-24)31(41)30-34(44)40(21-37-30)20-23-9-7-6-8-10-23/h6-10,13-16,18-19,29-31,37,41H,4-5,11-12,17,20-21H2,1-3H3,(H,38,42)/t29-,30-,31-/m0/s1
Definition date:	2008-04-08
Last modified:	2011-06-04
Identifier:	N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide

335

335
Name:	[4-(2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACID
Formula:	C29 H25 F4 N3 O6 P2
SMILES:	FC(F)(c1ccc(cc1)CC(c2ccccc2)(n4nnc3ccccc34)Cc5ccc(cc5)C(F)(F)P(=O)(O)O)P(=O)(O)O
InChi:	InChI=1S/C29H25F4N3O6P2/c30-28(31,43(37,38)39)23-14-10-20(11-15-23)18-27(22-6-2-1-3-7-22,36-26-9-5-4-8-25(26)34-35-36)19-21-12-16-24(17-13-21)29(32,33)44(40,41)42/h1-17H,18-19H2,(H2,37,38,39)(H2,40,41,42)
Definition date:	2003-08-18
Last modified:	2011-06-04
Identifier:	{[2-(1H-benzotriazol-1-yl)-2-phenylpropane-1,3-diyl]bis[benzene-4,1-diyl(difluoromethanediyl)]}bis(phosphonic acid)

348

348
Name:	4-[(1R,3AS,4R,8AS,8BR)-1-ISOPROPYL-2-(4-METHOXYBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE
Formula:	C27 H34 N4 O2
SMILES:	O=C3N(C(C4C1N(CCC1)C(c2ccc(C(=[N@H])N)cc2)C34)C(C)C)Cc5ccc(OC)cc5
InChi:	InChI=1S/C27H34N4O2/c1-16(2)24-22-21-5-4-14-30(21)25(18-8-10-19(11-9-18)26(28)29)23(22)27(32)31(24)15-17-6-12-20(33-3)13-7-17/h6-13,16,21-25H,4-5,14-15H2,1-3H3,(H3,28,29)/t21-,22-,23-,24+,25-/m0/s1
Definition date:	2006-02-17
Last modified:	2011-06-04
Identifier:	4-[(1R,3aS,4R,8aS,8bR)-2-(4-methoxybenzyl)-1-(1-methylethyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide

FRP

FRP
Name:	N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
Formula:	C33 H41 F N4 O3
SMILES:	Fc3ccc(NC(=O)C(C)CC(N)C(NC(=O)c1cccc(C(=O)N(CCC)CCC)c1)Cc2ccccc2)cc3
InChi:	InChI=1S/C33H41FN4O3/c1-4-18-38(19-5-2)33(41)26-13-9-12-25(22-26)32(40)37-30(21-24-10-7-6-8-11-24)29(35)20-23(3)31(39)36-28-16-14-27(34)15-17-28/h6-17,22-23,29-30H,4-5,18-21,35H2,1-3H3,(H,36,39)(H,37,40)/t23-,29+,30+/m1/s1
Definition date:	2005-12-30
Last modified:	2011-06-04
Identifier:	N'-{(1S,2S,4R)-2-amino-1-benzyl-5-[(4-fluorophenyl)amino]-4-methyl-5-oxopentyl}-N,N-dipropylbenzene-1,3-dicarboxamide

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