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488
488
Name:(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid
Formula:C14 H16 N2 O3 S2
SMILES:O=C(O)C1N(C)C(SC1)C2N=C(SC2)c3ccccc3O
InChi:InChI=1S/C14H16N2O3S2/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17/h2-5,9-10,13,17H,6-7H2,1H3,(H,18,19)/t9-,10+,13-/m1/s1
Synonyms:Pyochelin
Definition date:2011-10-11
Last modified:2020-06-17
Identifier:(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid
48W
48W
Name:6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide
Formula:C23 H27 Cl N4 O5 S
SMILES:O=C4N(C)CCN(C(=O)C(N3C(=O)C(NS(=O)(=O)c2cc1ccc(Cl)cc1cc2)CC3)C)CC4
InChi:InChI=1S/C23H27ClN4O5S/c1-15(22(30)27-9-8-21(29)26(2)11-12-27)28-10-7-20(23(28)31)25-34(32,33)19-6-4-16-13-18(24)5-3-17(16)14-19/h3-6,13-15,20,25H,7-12H2,1-2H3/t15-,20-/m0/s1
Synonyms:GTC000398
Definition date:2015-02-13
Last modified:2020-06-17
Release date:2015-09-30
Identifier:6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide
493
493
Name:{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENOXY}-ACETIC ACID
Formula:C32 H36 N3 O9 P
SMILES:O=C(O)COc1ccc(cc1P(=O)(O)O)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4
InChi:InChI=1S/C32H36N3O9P/c1-21(36)33-27(17-23-12-15-28(44-20-30(37)38)29(18-23)45(41,42)43)31(39)34-26-9-5-6-16-35(32(26)40)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,18,26-27H,5-6,9,16-17,19-20H2,1H3,(H,33,36)(H,34,39)(H,37,38)(H2,41,42,43)/t26-,27-/m0/s1
Synonyms:RU85493
Definition date:2003-06-20
Last modified:2020-06-17
Identifier:{4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-phosphonophenoxy}acetic acid
49M
49M
Name:(1R)-1,5-anhydro-1-[(1E,3S,4S,5R)-4,5-dihydroxy-3-(nonacosanoylamino)nonadec-1-en-1-yl]-D-galactitol
Formula:C54 H105 N O8
SMILES:O=C(NC(/C=C/C1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChi:InChI=1S/C54H105NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-50(58)55-46(43-44-48-52(60)54(62)53(61)49(45-56)63-48)51(59)47(57)41-39-37-35-33-31-16-14-12-10-8-6-4-2/h43-44,46-49,51-54,56-57,59-62H,3-42,45H2,1-2H3,(H,55,58)/b44-43+/t46-,47+,48+,49+,51-,52-,53-,54+/m0/s1
Synonyms:GCK127
Definition date:2015-02-17
Last modified:2020-06-17
Release date:2015-05-27
Identifier:(1R)-1,5-anhydro-1-[(1E,3S,4S,5R)-4,5-dihydroxy-3-(nonacosanoylamino)nonadec-1-en-1-yl]-D-galactitol
4AA
4AA
Name:4-CHLORO-3-HYDROXYANTHRANILIC ACID
Formula:C7 H6 Cl N O3
SMILES:Clc1ccc(c(N)c1O)C(=O)O
InChi:InChI=1S/C7H6ClNO3/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,10H,9H2,(H,11,12)
Synonyms:2-AMINO-4-CHLORO-3-HYDROXYBENZOIC ACID
Definition date:2005-01-07
Last modified:2020-06-17
Identifier:2-amino-4-chloro-3-hydroxybenzoic acid
P01
P01
Name:2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL
Formula:C19 H25 Cl N6 O
SMILES:Clc1cccc(c1)Nc3nc(nc2c3ncn2C(C)C)NC(C(C)C)CO
InChi:InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
Synonyms:PURVALANOL A
Definition date:2005-02-07
Last modified:2020-06-17
Identifier:(2R)-2-({6-[(3-chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol
4AG
4AG
Name:(2R)-3-HYDROXYPROPANE-1,2-DIYL DIHEXADECANOATE
Formula:C35 H68 O5
SMILES:O=C(OC(COC(=O)CCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCC
InChi:InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m1/s1
Synonyms:SN-1,2-DIPALMITOYL DIACYLGLYCEROL
Definition date:2011-03-31
Last modified:2020-06-17
Identifier:(2R)-3-hydroxypropane-1,2-diyl dihexadecanoate
P09
P09
Name:2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid
Formula:C22 H19 N O4
SMILES:O=C(O)c1ccccc1C(=O)Nc3ccc(Oc2cc(c(cc2)C)C)cc3
InChi:InChI=1S/C22H19NO4/c1-14-7-10-18(13-15(14)2)27-17-11-8-16(9-12-17)23-21(24)19-5-3-4-6-20(19)22(25)26/h3-13H,1-2H3,(H,23,24)(H,25,26)
Synonyms:BPH-1299
Definition date:2011-06-27
Last modified:2020-06-17
Release date:2012-12-14
Identifier:2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid
4AN
4AN
Name:6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE
Formula:C12 H8 N2 O2
SMILES:O=C2c1c3c(c(cc1)N)cccc3C(=O)N2
InChi:InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)
Synonyms:4-AMINO-1,8-NAPHTHALIMIDE
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:6-amino-1H-benzo[de]isoquinoline-1,3(2H)-dione
P0E
P0E
Name:PHOSPHATIDYL ETHANOL
Formula:C39 H73 O9 P
SMILES:O=C(OC(COP(=O)(OCCO)O)COC(=O)CCCCCCCC=C/CCCCCCCC)CCCCCCCC=C/CCCCCC
InChi:InChI=1S/C39H73O9P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37,40H,3-13,15,19-36H2,1-2H3,(H,43,44)/b16-14-,18-17-/t37-/m0/s1
Synonyms:(2S)-2-[(9E)-HEXADEC-9-ENOYLOXY]-3-{[HYDROXY(2-HYDROXYETHOXY)PHOSPHORYL]OXY}PROPYL (9E)-OCTADEC-9-ENOATE
Definition date:2005-04-29
Last modified:2020-06-17
Identifier:(2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-{[(R)-hydroxy(2-hydroxyethoxy)phosphoryl]oxy}propyl (9Z)-octadec-9-enoate
4B2
4B2
Name:(4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
Formula:C15 H14 F2 N4 S
SMILES:Fc2c(c1cncnc1)cc(c(F)c2)C3(N=C(SCC3)N)C
InChi:InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1
Synonyms:LY2811376
Definition date:2015-02-23
Last modified:2020-06-17
Release date:2015-04-01
Identifier:(4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
4BG
4BG
Name:N-[4-(benzyloxy)phenyl]glycinamide
Formula:C15 H16 N2 O2
SMILES:O=C(Nc2ccc(OCc1ccccc1)cc2)CN
InChi:InChI=1S/C15H16N2O2/c16-10-15(18)17-13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18)
Synonyms:2-amino-N-[4-(phenylmethoxy)phenyl]-acetamide
Definition date:2008-03-14
Last modified:2020-06-17
Identifier:N-[4-(benzyloxy)phenyl]glycinamide
P13
P13
Name:N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE
Formula:C24 H33 N5 O
SMILES:O(c3ccc(c2cc1ccnc1cc2)cc3CNCCN4CCNCC4)CCCN
InChi:InChI=1S/C24H33N5O/c25-7-1-15-30-24-5-3-20(19-2-4-23-21(16-19)6-8-28-23)17-22(24)18-27-11-14-29-12-9-26-10-13-29/h2-6,8,16-17,26-28H,1,7,9-15,18,25H2
Synonyms:RBT550 INHIBITOR
Definition date:2003-12-10
Last modified:2020-06-17
Identifier:3-[4-(1H-indol-5-yl)-2-{[(2-piperazin-1-ylethyl)amino]methyl}phenoxy]propan-1-amine
P14
P14
Name:N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-4-METHOXYPHENOXY)ETHYL]GUANIDINE
Formula:C16 H31 N7 O2
SMILES:O(c1ccc(OC)cc1CNCCCCNC(=[NH2+])N)CCNC(=[NH2+])N
InChi:InChI=1S/C16H29N7O2/c1-24-13-4-5-14(25-9-8-23-16(19)20)12(10-13)11-21-6-2-3-7-22-15(17)18/h4-5,10,21H,2-3,6-9,11H2,1H3,(H4,17,18,22)(H4,19,20,23)/p+2
Synonyms:RBT203 INHIBITOR
Definition date:2003-12-18
Last modified:2020-06-17
Identifier:amino{[2-(2-{[(4-{[amino(iminio)methyl]amino}butyl)amino]methyl}-4-methoxyphenoxy)ethyl]amino}methaniminium
P1B
P1B
Name:(5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione
Formula:C19 H20 N2 O3 S
SMILES:O=C1NC(=O)SC1Cc3ccc(OCCc2ncc(cc2)CC)cc3
InChi:InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t17-/m1/s1
Synonyms:PIOGLITAZONE
Definition date:2010-07-14
Last modified:2020-06-17
Identifier:(5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione
P1D
P1D
Name:((2S,3AS,4R,6S)-4-(HYDROXYMETHYL)-6-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-TETRAHYDROFURO[3,4-D][1,3]DIOXO L-2-YL)METHYLPHOSPHONIC ACID
Formula:C13 H16 N3 O8 P
SMILES:O=C1NC=Nc2c1ncc2C3OC(C4OC(OC34)CP(=O)(O)O)CO
InChi:InChI=1S/C13H16N3O8P/c17-2-6-11-12(24-7(23-11)3-25(19,20)21)10(22-6)5-1-14-9-8(5)15-4-16-13(9)18/h1,4,6-7,10-12,14,17H,2-3H2,(H,15,16,18)(H2,19,20,21)/t6-,7-,10+,11-,12+/m1/s1
Synonyms:9-DEAZAINOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE
Definition date:2005-08-04
Last modified:2020-06-17
Identifier:(1S)-1,4-anhydro-1-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-O-[(1S)-2-phosphonoethylidene]-D-ribitol
4BT
4BT
Name:2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
Formula:C12 H18 N4 S2
SMILES:S(C(=[N@H])N)CCc1ccc(cc1)CCSC(=[N@H])N
InChi:InChI=1S/C12H18N4S2/c13-11(14)17-7-5-9-1-2-10(4-3-9)6-8-18-12(15)16/h1-4H,5-8H2,(H3,13,14)(H3,15,16)
Synonyms:S,S'-(1,4-PHENYLENE-BIS(1,2-ETHANEDIYL))BIS-ISOTHIOUREA
Definition date:1999-09-23
Last modified:2020-06-17
Identifier:benzene-1,4-diyldiethane-2,1-diyl bis(imidothiocarbamate)
P1H
P1H
Name:{(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-PROPYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}M ETHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Formula:C30 H38 N8 O15 P2
SMILES:CCCc1cc(ccn1)C(=O)[CH]2C=CN(C=C2C(N)=O)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O
InChi:InChI=1S/C30H38N8O15P2/c1-2-3-15-8-14(4-6-33-15)21(39)16-5-7-37(9-17(16)27(32)44)29-24(42)22(40)18(51-29)10-49-54(45,46)53-55(47,48)50-11-19-23(41)25(43)30(52-19)38-13-36-20-26(31)34-12-35-28(20)38/h4-9,12-13,16,18-19,22-25,29-30,40-43H,2-3,10-11H2,1H3,(H2,32,44)(H,45,46)(H,47,48)(H2,31,34,35)/t16-,18+,19+,22+,23+,24+,25+,29+,30+/m0/s1
Synonyms:2-PROPYL-ISONICOTINIC-ACYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
Definition date:2006-11-10
Last modified:2020-06-17
Identifier:[(2R,3S,4R,5R)-5-[(4S)-3-aminocarbonyl-4-(2-propylpyridin-4-yl)carbonyl-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
P2G
P2G
Name:(2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YLPHOSPHONI C ACID
Formula:C11 H14 N5 O8 P
SMILES:O=C4NC(=Nc1c4ncn1C3OC(C2OC(OC23)P(=O)(O)O)CO)N
InChi:InChI=1S/C11H14N5O8P/c12-10-14-7-4(8(18)15-10)13-2-16(7)9-6-5(3(1-17)22-9)23-11(24-6)25(19,20)21/h2-3,5-6,9,11,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,5-,6-,9-,11+/m1/s1
Synonyms:GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE
Definition date:2005-08-04
Last modified:2020-06-17
Identifier:2',3'-O-(phosphonomethylidene)guanosine
P2O
P2O
Name:3-PROP-2-YN-1-YL-1,3-OXAZOLIDIN-2-ONE
Formula:C6 H7 N O2
SMILES:O=C1OCCN1CC#C
InChi:InChI=1S/C6H7NO2/c1-2-3-7-4-5-9-6(7)8/h1H,3-5H2
Synonyms:1-(PROP-2-YNYL)-OXAZOLIDINE-2-ONE
Definition date:2006-07-26
Last modified:2020-06-17
Identifier:3-prop-2-yn-1-yl-1,3-oxazolidin-2-one
P2P
P2P
Name:N7-(5'-PHOSPHO-ALPHA-RIBOSYL)-2-HYDROXYPURINE
Formula:C10 H13 N4 O8 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1nc(O)ncc12)C(O)C3O
InChi:InChI=1S/C10H13N4O8P/c15-6-5(2-21-23(18,19)20)22-9(7(6)16)14-3-12-8-4(14)1-11-10(17)13-8/h1,3,5-7,9,15-16H,2H2,(H,11,13,17)(H2,18,19,20)/t5-,6-,7-,9+/m1/s1
Synonyms:PHOSPHORIC ACID MONO-[3,4-DIHYDROXY-5-(5-HYDROXY-BENZOIMIDAZOL-1-YL)TETRAHYDRO-FURAN-2-YLMETHYL] ESTER
Definition date:2001-07-10
Last modified:2020-06-17
Identifier:7-(5-O-phosphono-alpha-D-ribofuranosyl)-7H-purin-2-ol
P2Z
P2Z
Name:Promazine
Formula:C17 H20 N2 S
SMILES:S2c1ccccc1N(c3c2cccc3)CCCN(C)C
InChi:InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3
Synonyms:N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine
Definition date:2013-08-23
Last modified:2020-06-17
Release date:2014-01-22
Identifier:N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine
P3D
P3D
Name:(4-{(E)-[(5-AMINOPENTYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
Formula:C13 H22 N3 O5 P
SMILES:O=P(O)(O)OCc1cnc(c(O)c1/C=N/CCCCCN)C
InChi:InChI=1S/C13H22N3O5P/c1-10-13(17)12(8-15-6-4-2-3-5-14)11(7-16-10)9-21-22(18,19)20/h7-8,17H,2-6,9,14H2,1H3,(H2,18,19,20)/b15-8+
Synonyms:PHOSPHORIC ACID MONO-{4-[(5-AMINO-PENTYLIMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER
Definition date:2007-05-16
Last modified:2020-06-17
Identifier:(4-{(E)-[(5-aminopentyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
P42
P42
Name:(2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate
Formula:C42 H88 N O8 P
SMILES:[O-]P(=O)(OCC[N+](C)(C)C)OCC(OC(O)CCCCCCCCCCCCCCC)COC(O)CCCCCCCCCCCCCCCCC
InChi:InChI=1S/C42H88NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h40-42,44-45H,6-39H2,1-5H3/t40-,41+,42+/m0/s1
Synonyms:1-Stearoyl-2-Palmitoyl-sn-Glycero-3-Phosphocholine
Definition date:2008-11-25
Last modified:2020-06-17
Identifier:(2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate
P4A
P4A
Name:4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
Formula:C17 H16 N2 O3
SMILES:Oc3ccc(c2nnc(c2c1ccc(OC)cc1)C)c(O)c3
InChi:InChI=1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)
Synonyms:3-(2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1h-pyrazole
Definition date:2007-12-05
Last modified:2020-06-17
Identifier:4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol

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