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CGR

CGR
Name:	CYCLIC GUANOSINE DIPHOSPHATE-RIBOSE
Formula:	C15 H23 N5 O14 P2
SMILES:	O=C1C=2N3CN(C=2N=C(N)N1)C5OC(COP(=O)(O)OP(=O)(O)OCC4OC3C(O)C4O)C(O)C5O
InChi:	InChI=1S/C15H23N5O14P2/c16-15-17-11-6(12(25)18-15)19-3-20(11)14-10(24)8(22)5(33-14)2-31-36(28,29)34-35(26,27)30-1-4-7(21)9(23)13(19)32-4/h4-5,7-10,13-14,21-24H,1-3H2,(H,26,27)(H,28,29)(H3,16,17,18,25)/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1
Synonyms:	CYCLIC GDP-RIBOSE
Definition date:	2006-12-11
Last modified:	2021-03-01
Identifier:	(2R,3R,4S,5R,8S,10S,13R,14S,15R,16R)-20-amino-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-1,17,19,21-tetraaza-8,10-diphosphapentacyclo[15.6.1.1~2,5~.1~13,16~.0~18,23~]hexacosa-18(23),19-dien-22-one 8,10-dioxide (non-preferred name)

CH5

CH5
Name:	2-(((R)-2,3-DIHYDROXYPROPYL)PHOSPHORYLOXY)-N,N,N-TRIMETHYLETHANAMINIUM
Formula:	C8 H21 N O6 P
SMILES:	O=P(OCC(O)CO)(OCC[N+](C)(C)C)O
InChi:	InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1
Synonyms:	GLYCERO-3-PHOSPHOCHOLINE
Definition date:	2005-08-12
Last modified:	2021-03-01
Identifier:	2-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium

CHU

CHU
Name:	N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide
Formula:	C21 H18 F N5 O5 S
SMILES:	O=S(=O)(NC)Nc1nccc(c1F)CC2=C(c4c(OC2=O)cc(Oc3ncccn3)cc4)C
InChi:	InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27)
Synonyms:	CH5126766
Definition date:	2013-10-01
Last modified:	2021-03-01
Release date:	2014-06-04
Identifier:	N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide

0UT

0UT
Name:	hydroxy(diphenyl)acetic acid
Formula:	C14 H12 O3
SMILES:	O=C(O)C(O)(c1ccccc1)c2ccccc2
InChi:	InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
Synonyms:	Benzillic acid
Definition date:	2012-06-22
Last modified:	2021-03-01
Release date:	2013-10-30
Identifier:	hydroxy(diphenyl)acetic acid

CIE

CIE
Name:	2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER
Formula:	C15 H15 Cl N4 O6 S
SMILES:	O=C(Nc1nc(OC)cc(Cl)n1)NS(=O)(=O)c2ccccc2C(=O)OCC
InChi:	InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)
Synonyms:	CHLORIMURON ETHYL
Definition date:	2002-11-01
Last modified:	2021-03-01
Identifier:	ethyl 2-{[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate

0V4

0V4
Name:	(4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside
Formula:	C27 H44 O8
SMILES:	O(C3C1=C(C(C)C)CCC1(C=C2C(COC)CCC2C(C3O)C)C)C4OC(C(O)C(O)C4O)CO
InChi:	InChI=1S/C27H44O8/c1-13(2)16-8-9-27(4)10-18-15(12-33-5)6-7-17(18)14(3)21(29)25(20(16)27)35-26-24(32)23(31)22(30)19(11-28)34-26/h10,13-15,17,19,21-26,28-32H,6-9,11-12H2,1-5H3/b18-10-/t14-,15-,17+,19-,21-,22-,23+,24-,25-,26-,27-/m1/s1
Synonyms:	16-O-Me-Fusicoccin H
Definition date:	2012-06-28
Last modified:	2021-03-01
Release date:	2013-05-08
Identifier:	(4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside

CIO

CIO
Name:	CILOMILAST
Formula:	C20 H25 N O4
SMILES:	O=C(O)C3CCC(C#N)(c2cc(OC1CCCC1)c(OC)cc2)CC3
InChi:	InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-
Synonyms:	CIS-4-CYANO-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]CYCLOHEXANECARBOXYLIC ACID
Definition date:	2004-10-18
Last modified:	2021-03-01
Identifier:	cis-4-cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]cyclohexanecarboxylic acid

CIZ

CIZ
Name:	(~{Z})-2-methylbut-2-enedioic acid
Formula:	C5 H6 O4
SMILES:	O=C(O)C(C)=[C@H]C(O)=O
InChi:	InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-
Synonyms:	CITRACONATE
Definition date:	2016-07-18
Last modified:	2021-03-01
Release date:	2016-07-27
Identifier:	(2Z)-2-methylbut-2-enedioic acid

0VT

0VT
Name:	6-methylhept-5-en-2-one
Formula:	C8 H14 O
SMILES:	O=C(C)CCC=C(/C)C
InChi:	InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
Synonyms:	6-methyl-5-hepten-2-one
Definition date:	2012-07-13
Last modified:	2021-03-01
Release date:	2012-12-28
Identifier:	6-methylhept-5-en-2-one

0W3

0W3
Name:	(4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid
Formula:	C41 H72 O9
SMILES:	O=C(O)CCC(C)CC(C)CC(C(=O)CC(=O)C(C)CC(C)C/C=CC(C)C(O)C(C)C(O)CC2OC(C1OC(CC1)(C(O)C)C)(C)CC2)C
InChi:	InChI=1S/C41H72O9/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42/h11,13,25-33,36-37,39,42,45,48H,12,14-24H2,1-10H3,(H,46,47)/b13-11-/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+/m1/s1
Synonyms:	Ionomycin
Definition date:	2012-07-17
Last modified:	2021-03-01
Release date:	2013-03-20
Identifier:	(4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid

CJX

CJX
Name:	(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2S,3S,4R,6S)-4,6-bis(azanyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-oxane-3,4,5-triol
Formula:	C18 H35 N3 O12
SMILES:	NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]2O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C18H35N3O12/c19-2-6-8(23)10(25)12(27)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)11(26)9(24)7(3-22)31-18/h4-18,22-29H,1-3,19-21H2/t4-,5+,6+,7+,8+,9+,10-,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1
Synonyms:	3"-deamino-3"-hydroxykanamycin A
Definition date:	2019-04-25
Last modified:	2021-03-01
Release date:	2020-04-15
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(aminomethyl)-6-[(1~{R},2~{S},3~{S},4~{R},6~{S})-4,6-bis(azanyl)-3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-oxane-3,4,5-triol

0WM

0WM
Name:	(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
Formula:	C24 H25 Cl F N5 O3
SMILES:	Fc1ccc(cc1Cl)Nc4ncnc3cc(OC2CCOC2)c(cc34)NC(=O)/C=C/CN(C)C
InChi:	InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
Synonyms:	Afatinib
Definition date:	2012-07-26
Last modified:	2021-03-01
Release date:	2012-08-24
Identifier:	(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide

CK0

CK0
Name:	(2S,3R,4S,5S,6R)-2-[(1S,2S,3R,4S,6R)-3-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Formula:	C18 H36 N4 O11
SMILES:	NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]2O)[CH](N)[CH](O)[CH]1O
InChi:	InChI=1S/C18H36N4O11/c19-2-6-9(24)11(26)8(22)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)12(27)10(25)7(3-23)31-18/h4-18,23-29H,1-3,19-22H2/t4-,5+,6+,7+,8+,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+/m0/s1
Synonyms:	3"-deamino-3"-hydroxykanamycin B
Definition date:	2019-04-25
Last modified:	2021-03-01
Release date:	2020-04-15
Identifier:	(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(1~{S},2~{S},3~{R},4~{S},6~{R})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

CK9

CK9
Name:	2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL
Formula:	C19 H26 N6 O2
SMILES:	n1c(c2ncn(c2nc1NC(CC)CO)C(C)C)NCc3ccccc3O
InChi:	InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1
Synonyms:	OLOMOUCINE II
Definition date:	2005-09-08
Last modified:	2021-03-01
Identifier:	2-({[2-{[(1R)-1-(hydroxymethyl)propyl]amino}-9-(1-methylethyl)-9H-purin-6-yl]amino}methyl)phenol

CKA

CKA
Name:	7-Chlorokynurenic acid
Formula:	C10 H6 Cl N O3
SMILES:	c1cc(cc2c1C(C=C(C(O)=O)N2)=O)Cl
InChi:	InChI=1S/C10H6ClNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-4H,(H,12,13)(H,14,15)
Synonyms:	7-CKA
Definition date:	2015-07-02
Last modified:	2021-03-01
Release date:	2015-12-29
Identifier:	7-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylic acid

0XE

0XE
Name:	5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid
Formula:	C21 H18 O11
SMILES:	O=C(O)C4OC(Oc3c(O)c(O)c2c(OC(c1ccccc1)=CC2=O)c3)C(O)C(O)C4O
InChi:	InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
Synonyms:	Baicalin
Definition date:	2012-09-14
Last modified:	2021-03-01
Release date:	2012-11-23
Identifier:	5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid

0XR

0XR
Name:	ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Formula:	C11 H12 O4
SMILES:	O=C(OCC)C=Cc1cc(O)c(O)cc1
InChi:	InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+
Synonyms:	ethyl caffeate
Definition date:	2012-08-31
Last modified:	2021-03-01
Release date:	2012-10-19
Identifier:	ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

CL6

CL6
Name:	1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE
Formula:	C22 H17 Cl N2
SMILES:	Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4
InChi:	InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
Synonyms:	CLOTRIMAZOLE
Definition date:	2006-10-26
Last modified:	2021-03-01
Identifier:	1-[(2-chlorophenyl)(diphenyl)methyl]-1H-imidazole

CLI

CLI
Name:	3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID
Formula:	C12 H9 Cl2 N O4
SMILES:	Clc1cc2c(c(Cl)c1)c(c(C(=O)O)n2)CCC(=O)O
InChi:	InChI=1S/C12H9Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19)
Synonyms:	MDL-29951
Definition date:	2002-04-12
Last modified:	2021-03-01
Identifier:	3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid

CLQ

CLQ
Name:	N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE
Formula:	C18 H26 Cl N3
SMILES:	Clc1cc2nccc(c2cc1)NC(C)CCCN(CC)CC
InChi:	InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/t14-/m1/s1
Synonyms:	CHLOROQUINE
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	(4R)-N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine

CLS

CLS
Name:	CEPHALOTHIN
Formula:	C16 H16 N2 O6 S2
SMILES:	O=C2N1C(=C(CSC1C2NC(=O)Cc3sccc3)COC(=O)C)C(=O)O
InChi:	InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1
Synonyms:	3-ACETOXYMETHYL-8-OXO-7-(2-THIOPHEN-2-YL-ACETYLAMINO)-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID
Definition date:	2002-02-07
Last modified:	2021-03-01
Identifier:	(6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[(thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CLU

CLU
Name:	2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE
Formula:	C9 H9 Cl2 N3
SMILES:	Clc2c(N=C1/NCCN1)c(Cl)ccc2
InChi:	InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
Synonyms:	CLONIDINE
Definition date:	2007-05-01
Last modified:	2021-03-01
Identifier:	2,6-dichloro-N-imidazolidin-2-ylideneaniline

0YR

0YR
Name:	(2R,3R,4R)-N,2,3,4,5-pentakis(oxidanyl)pentanamide
Formula:	C5 H11 N O6
SMILES:	O=C(NO)C(O)C(O)C(O)CO
InChi:	InChI=1S/C5H11NO6/c7-1-2(8)3(9)4(10)5(11)6-12/h2-4,7-10,12H,1H2,(H,6,11)/t2-,3-,4-/m1/s1
Synonyms:	D-ribonohydroxamate
Definition date:	2012-09-17
Last modified:	2021-03-01
Release date:	2012-10-26
Identifier:	(2R,3R,4R)-N,2,3,4,5-pentahydroxypentanamide (non-preferred name)

0YS

0YS
Name:	(5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-{(2S)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl}-L-proline
Formula:	C18 H21 Cl2 N3 O9
SMILES:	O=C(O)C(N)C(O)C2(C(=O)O)NC(CC(NC(=O)c1cc(Cl)c(O)c(Cl)c1)C(=O)O)CC2
InChi:	InChI=1S/C18H21Cl2N3O9/c19-8-3-6(4-9(20)12(8)24)14(26)22-10(15(27)28)5-7-1-2-18(23-7,17(31)32)13(25)11(21)16(29)30/h3-4,7,10-11,13,23-25H,1-2,5,21H2,(H,22,26)(H,27,28)(H,29,30)(H,31,32)/t7-,10+,11-,13+,18-/m1/s1
Synonyms:	(-)-kaitocephalin
Definition date:	2012-09-17
Last modified:	2021-03-01
Release date:	2012-10-12
Identifier:	(5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-{(2S)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl}-L-proline

0Z0

0Z0
Name:	N-(trifluoroacetyl)-L-phenylalanyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide
Formula:	C21 H19 F6 N3 O3
SMILES:	O=C(Nc1ccc(cc1)C(F)(F)F)C(NC(=O)C(NC(=O)C(F)(F)F)Cc2ccccc2)C
InChi:	InChI=1S/C21H19F6N3O3/c1-12(17(31)29-15-9-7-14(8-10-15)20(22,23)24)28-18(32)16(30-19(33)21(25,26)27)11-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,28,32)(H,29,31)(H,30,33)/t12-,16-/m0/s1
Synonyms:	TFAP
Definition date:	2008-07-30
Last modified:	2021-03-01
Identifier:	N-(trifluoroacetyl)-L-phenylalanyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide

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