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ERO
ERO
Name:5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:C7 H6 N2 O4
SMILES:O=C1NC(C(=O)O)=C(C(=O)N1)/C=C
InChi:InChI=1S/C7H6N2O4/c1-2-3-4(6(11)12)8-7(13)9-5(3)10/h2H,1H2,(H,11,12)(H2,8,9,10,13)
Synonyms:5-vinyl-orotic acid
Definition date:2012-11-19
Last modified:2021-03-01
Release date:2013-11-20
Identifier:5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
ERT
ERT
Name:METHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-4-{[2,3,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H-TETRACENE-1-CARBOXYLATE
Formula:C31 H37 N O11
SMILES:O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)C(C(=O)OC)C(O)(CC5OC4OC(C(O)C(N(C)C)C4)C)CC
InChi:InChI=1S/C31H37NO11/c1-7-31(39)12-17(43-18-11-15(32(3)4)25(33)13(2)42-18)20-21(24(31)30(38)41-6)29(37)22-23(28(20)36)27(35)19-14(26(22)34)9-8-10-16(19)40-5/h8-10,13,15,17-18,24-25,33,36-37,39H,7,11-12H2,1-6H3/t13-,15-,17-,18-,24-,25+,31+/m0/s1
Synonyms:4-METHOXY-E-RHODOMYCIN T
Definition date:2004-07-06
Last modified:2021-03-01
Identifier:methyl (1R,2R,4S)-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
ETS
ETS
Name:(4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE
Formula:C10 H16 N2 O4 S3
SMILES:O=S(=O)(c1sc2c(c1)C(NCC)CC(S2(=O)=O)C)N
InChi:InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
Synonyms:Dorzolamide
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(4S,6S)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
EW4
EW4
Name:[3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone
Formula:C29 H39 N7 O
SMILES:c1(ccn(c1)CC3CCN(C2CCCCC=C2)CC3)C(=O)N6CC(n4cnc5c4cc(C)nc5N)(C6)C
InChi:InChI=1S/C29H39N7O/c1-21-15-25-26(27(30)32-21)31-20-36(25)29(2)18-35(19-29)28(37)23-11-12-33(17-23)16-22-9-13-34(14-10-22)24-7-5-3-4-6-8-24/h5,7,11-12,15,17,20,22,24H,3-4,6,8-10,13-14,16,18-19H2,1-2H3,(H2,30,32)/t24-/m0/s1
Synonyms:MTF9975
Definition date:2018-02-05
Last modified:2021-03-01
Release date:2018-03-14
Identifier:[3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone
EWH
EWH
Name:~{N}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
Formula:C24 H26 Cl N7 O
SMILES:CN1CCN(CC1)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4NC(=O)C=C)n3)cc2
InChi:InChI=1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30)
Synonyms:SM1-71
Definition date:2018-04-27
Last modified:2021-03-01
Release date:2019-02-27
Identifier:~{N}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
F0E
F0E
Name:cyclooctyl ~{N}-[3-[[4-[5-[[(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]carbonylamino]-1~{H}-indazol-3-yl]pyridin-2-yl]carbonylamino]propyl]carbamate
Formula:C46 H55 N11 O5
SMILES:O=C(NCCCNC(=O)c1cc(ccn1)c2n[nH]c3ccc(NC(=O)[CH]4CCN(C4)CC(=O)N5CCN(CC5)c6ccc(cc6)c7ncccn7)cc23)OC8CCCCCCC8
InChi:InChI=1S/C46H55N11O5/c58-41(57-26-24-56(25-27-57)36-13-10-32(11-14-36)43-48-18-6-19-49-43)31-55-23-17-34(30-55)44(59)52-35-12-15-39-38(29-35)42(54-53-39)33-16-22-47-40(28-33)45(60)50-20-7-21-51-46(61)62-37-8-4-2-1-3-5-9-37/h6,10-16,18-19,22,28-29,34,37H,1-5,7-9,17,20-21,23-27,30-31H2,(H,50,60)(H,51,61)(H,52,59)(H,53,54)/t34-/m1/s1
Synonyms:HYDROXYETHYLAMINE BACE INHIBITOR
Definition date:2018-05-16
Last modified:2021-03-01
Release date:2019-01-02
Identifier:cyclooctyl ~{N}-[3-[[4-[5-[[(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]carbonylamino]-1~{H}-indazol-3-yl]pyridin-2-yl]carbonylamino]propyl]carbamate
F17
F17
Name:N-{[4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)PHENYL]ACETYL}-L-PHENYLALANYL-4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)-L-PHENYLALANINAMIDE
Formula:C32 H29 N5 O9 S2
SMILES:O=C5C=C(c1ccc(cc1)CC(=O)NC(C(=O)NC(C(=O)N)Cc3ccc(C2=CC(=O)NS2(=O)=O)cc3)Cc4ccccc4)S(=O)(=O)N5
InChi:InChI=1S/C32H29N5O9S2/c33-31(41)24(14-20-6-10-22(11-7-20)26-17-29(39)36-47(26,43)44)35-32(42)25(15-19-4-2-1-3-5-19)34-28(38)16-21-8-12-23(13-9-21)27-18-30(40)37-48(27,45)46/h1-13,17-18,24-25H,14-16H2,(H2,33,41)(H,34,38)(H,35,42)(H,36,39)(H,37,40)/t24-,25-/m0/s1
Synonyms:ISOTHIAZOLIDANONE ANALOGUE
Definition date:2006-05-04
Last modified:2021-03-01
Identifier:N-{[4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)phenyl]acetyl}-L-phenylalanyl-4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)-L-phenylalaninamide
F18
F18
Name:4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL
Formula:C9 H10 N6 O
SMILES:N(=Nc1c(nnc1N)N)c2ccc(O)cc2
InChi:InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)/b13-12-
Synonyms:CAN508
Definition date:2006-05-02
Last modified:2021-03-01
Identifier:4-[(Z)-(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol
F1H
F1H
Name:N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
Formula:C16 H24 N2 O S
SMILES:O=C(NC2CCN(Cc1ccccc1)CC2)CCCS
InChi:InChI=1S/C16H24N2OS/c19-16(7-4-12-20)17-15-8-10-18(11-9-15)13-14-5-2-1-3-6-14/h1-3,5-6,15,20H,4,7-13H2,(H,17,19)
Synonyms:N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide
Definition date:2008-03-10
Last modified:2021-03-01
Identifier:N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
F1K
F1K
Name:(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide
Formula:C15 H22 F N3 O S
SMILES:Fc1ccc(cc1)CN2CC(NCC2)C(=O)NCCCS
InChi:InChI=1S/C15H22FN3OS/c16-13-4-2-12(3-5-13)10-19-8-7-17-14(11-19)15(20)18-6-1-9-21/h2-5,14,17,21H,1,6-11H2,(H,18,20)/t14-/m0/s1
Synonyms:4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(3-mercapto-propyl)-amide
Definition date:2008-03-25
Last modified:2021-03-01
Identifier:(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide
F20
F20
Name:N-BENZOYL-L-PHENYLALANYL-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-L-PHENYLALANINAMIDE
Formula:C28 H28 N4 O6 S
SMILES:O=C4NS(=O)(=O)C(c1ccc(cc1)CC(C(=O)N)NC(=O)C(NC(=O)c2ccccc2)Cc3ccccc3)C4
InChi:InChI=1S/C28H28N4O6S/c29-26(34)22(15-19-11-13-20(14-12-19)24-17-25(33)32-39(24,37)38)30-28(36)23(16-18-7-3-1-4-8-18)31-27(35)21-9-5-2-6-10-21/h1-14,22-24H,15-17H2,(H2,29,34)(H,30,36)(H,31,35)(H,32,33)/t22-,23-,24-/m0/s1
Synonyms:ISOTHIAZOLIDINONE ANALOG
Definition date:2006-05-04
Last modified:2021-03-01
Identifier:N-(phenylcarbonyl)-L-phenylalanyl-4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-L-phenylalaninamide
F29
F29
Name:1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE
Formula:C21 H17 N7
SMILES:n1nc5c(cc1c3c4ccccn4nc3c2ccccc2)c(nn5CC=C)N
InChi:InChI=1S/C21H17N7/c1-2-11-28-21-15(20(22)26-28)13-16(23-24-21)18-17-10-6-7-12-27(17)25-19(18)14-8-4-3-5-9-14/h2-10,12-13H,1,11H2,(H2,22,26)
Synonyms:FR296110
Definition date:2005-03-11
Last modified:2021-03-01
Identifier:5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-en-1-yl-1H-pyrazolo[3,4-c]pyridazin-3-amine
F2N
F2N
Name:[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[7,8-DIMETHYL-2,4-DIOXO-5-(3-PHENYLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[G]PTERIDIN-10(2H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE
Formula:C36 H43 N9 O16 P2
SMILES:O=C(N2c1cc(c(cc1N(C3=C2C(=O)NC(=O)N3)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C)CCc7ccccc7
InChi:InChI=1S/C36H43N9O16P2/c1-17-10-20-21(11-18(17)2)45(25(48)9-8-19-6-4-3-5-7-19)27-33(41-36(53)42-34(27)52)43(20)12-22(46)28(49)23(47)13-58-62(54,55)61-63(56,57)59-14-24-29(50)30(51)35(60-24)44-16-40-26-31(37)38-15-39-32(26)44/h3-7,10-11,15-16,22-24,28-30,35,46-47,49-51H,8-9,12-14H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H2,41,42,52,53)/t22-,23+,24+,28-,29+,30+,35+/m0/s1
Synonyms:1-HYDRO-5-(3-PHENYLPROPANOYL)-FLAVIN-ADENINE DINUCLEOTIDE
Definition date:2007-06-07
Last modified:2021-03-01
Identifier:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-(3-phenylpropanoyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
F4S
F4S
Name:FE4-S3 CLUSTER
Formula:Fe4 S3
SMILES:[Fe]|1|2|S3[Fe]S|1[Fe]S|2[Fe]3
InChi:InChI=1S/4Fe.3S
Synonyms:T-CLUSTER
Definition date:2011-04-14
Last modified:2021-03-01
F5M
F5M
Name:5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
Formula:C24 H13 N O7
SMILES:O=C1C=CC(=O)N1c5ccc(C=2c4c(OC=3C=2C=CC(=O)C=3)cc(O)cc4)c(C(=O)O)c5
InChi:InChI=1S/C24H13NO7/c26-13-2-5-16-19(10-13)32-20-11-14(27)3-6-17(20)23(16)15-4-1-12(9-18(15)24(30)31)25-21(28)7-8-22(25)29/h1-11,26H,(H,30,31)
Synonyms:fluorescein-5-maleimide
Definition date:2010-04-13
Last modified:2021-03-01
Identifier:5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
F5R
F5R
Name:4-bromanylbenzenecarboximidamide
Formula:C7 H7 Br N2
SMILES:NC(=N)c1ccc(Br)cc1
InChi:InChI=1S/C7H7BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
Synonyms:4-Bromobenzamidine
Definition date:2020-04-01
Last modified:2021-03-01
Release date:2020-08-26
Identifier:4-bromanylbenzenecarboximidamide
F5U
F5U
Name:2-(5-methoxy-1H-indol-3-yl)ethanamine
Formula:C11 H14 N2 O
SMILES:COc1ccc2[nH]cc(CCN)c2c1
InChi:InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
Synonyms:5-Methoxytryptamine
Definition date:2020-04-01
Last modified:2021-03-01
Release date:2020-08-26
Identifier:2-(5-methoxy-1~{H}-indol-3-yl)ethanamine
F5X
F5X
Name:2-(6-methoxy-1H-indol-3-yl)ethanamine
Formula:C11 H14 N2 O
SMILES:COc1ccc2c(CCN)c[nH]c2c1
InChi:InChI=1S/C11H14N2O/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9/h2-3,6-7,13H,4-5,12H2,1H3
Synonyms:6-Methoxytryptamine
Definition date:2020-04-01
Last modified:2021-03-01
Release date:2020-08-26
Identifier:2-(6-methoxy-1~{H}-indol-3-yl)ethanamine
F77
F77
Name:3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID
Formula:C16 H16 F N O4 S
SMILES:O=S(=O)(Nc1ccc(c(c1C(=O)O)C)CC)c2ccc(F)cc2
InChi:InChI=1S/C16H16FNO4S/c1-3-11-4-9-14(15(10(11)2)16(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h4-9,18H,3H2,1-2H3,(H,19,20)
Synonyms:3-ETHYL-6-(4-FLUORO-BENZENESULFONYLAMINO)-2-METHYL-BENZOIC ACID
Definition date:2007-02-06
Last modified:2021-03-01
Identifier:3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}-2-methylbenzoic acid
F89
F89
Name:S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID
Formula:C27 H24 N4 O6
SMILES:O=C(O)C(N5C(=O)c1c(cc(cc1)NCc4cc3c(ccc2N=C(NC(=O)c23)C)cc4)C5)CCC(=O)O
InChi:InChI=1S/C27H24N4O6/c1-14-29-21-7-4-16-3-2-15(10-20(16)24(21)25(34)30-14)12-28-18-5-6-19-17(11-18)13-31(26(19)35)22(27(36)37)8-9-23(32)33/h2-7,10-11,22,28H,8-9,12-13H2,1H3,(H,32,33)(H,36,37)(H,29,30,34)/t22-/m0/s1
Synonyms:FOLATE ANALOG 1843U89
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(2S)-2-(5-{[(3-methyl-1-oxo-1,2-dihydrobenzo[f]quinazolin-9-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid
F8M
F8M
Name:2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
Formula:C18 H19 N3 O4
SMILES:CN(C)CCCc3ccc1c(C(c2c(O1)nc(c(c2)C(O)=O)N)=O)c3
InChi:InChI=1S/C18H19N3O4/c1-21(2)7-3-4-10-5-6-14-11(8-10)15(22)12-9-13(18(23)24)16(19)20-17(12)25-14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,19,20)(H,23,24)
Synonyms:7-[3-(dimethylamino)propyl] Analog of Amlexanox
Definition date:2018-03-15
Last modified:2021-03-01
Release date:2018-12-05
Identifier:2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
FAC
FAC
Name:1,1,1,3,3,3-HEXAFLUOROPROPANEDIOL
Formula:C3 H2 F6 O2
SMILES:FC(F)(F)C(O)(O)C(F)(F)F
InChi:InChI=1S/C3H2F6O2/c4-2(5,6)1(10,11)3(7,8)9/h10-11H
Synonyms:HEXAFLUOROACETONE HYDRATE
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:1,1,1,3,3,3-hexafluoropropane-2,2-diol
FBD
FBD
Name:N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-L-glutamic acid
Formula:C16 H19 F N2 O7 S
SMILES:Fc1ccc(cc1)CSCC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O
InChi:InChI=1S/C16H19FN2O7S/c17-10-3-1-9(2-4-10)7-27-8-12(15(24)25)19-16(26)18-11(14(22)23)5-6-13(20)21/h1-4,11-12H,5-8H2,(H,20,21)(H,22,23)(H,24,25)(H2,18,19,26)/t11-,12-/m0/s1
Synonyms:(S)-2-(3-((R)-1-carboxy-2-(4-fluorobenzylthio)ethyl)ureido)pentanedioic acid
Definition date:2008-06-05
Last modified:2021-03-01
Identifier:N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-L-glutamic acid
FBI
FBI
Name:7-[4-(4-FLUORO-PHENYL)-6-ISOPROPYL-2-(METHANESULFONYL-METHYL-AMINO)-PYRIMIDIN-5-YL] -3,5-DIHYDROXY-HEPTANOIC ACID
Formula:C22 H30 F N3 O6 S
SMILES:O=S(=O)(N(c1nc(c(c(n1)C(C)C)CCC(O)CC(O)CC(=O)O)c2ccc(F)cc2)C)C
InChi:InChI=1S/C22H30FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-8,13,16-17,27-28H,9-12H2,1-4H3,(H,29,30)/t16-,17-/m1/s1
Synonyms:ROSUVASTATIN
Definition date:2001-01-17
Last modified:2021-03-01
Identifier:(3R,5R)-7-{4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyheptanoic acid
FBJ
FBJ
Name:N-hydroxycyclopent-1-ene-1-carboxamide
Formula:C6 H9 N O2
SMILES:C(=O)(C1=CCCC1)NO
InChi:InChI=1S/C6H9NO2/c8-6(7-9)5-3-1-2-4-5/h3,9H,1-2,4H2,(H,7,8)
Synonyms:cyclopentenylhydroxamate
Definition date:2018-03-22
Last modified:2021-03-01
Release date:2018-05-30
Identifier:N-hydroxycyclopent-1-ene-1-carboxamide

238582

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