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2PD
2PD
Name:5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one
Formula:C23 H24 N4 O5 S
SMILES:O=C4N(N=C(c1ccccc1)C(O)=C4C3=Nc2c(cc(OC)cc2)S(=O)(=O)N3)CCC(C)C
InChi:InChI=1S/C23H24N4O5S/c1-14(2)11-12-27-23(29)19(21(28)20(25-27)15-7-5-4-6-8-15)22-24-17-10-9-16(32-3)13-18(17)33(30,31)26-22/h4-10,13-14,28H,11-12H2,1-3H3,(H,24,26)
Synonyms:5-hydroxy-4-(7-methoxy-1,1-dioxo-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one
Definition date:2008-01-11
Last modified:2020-06-17
Identifier:5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one
LSM
LSM
Name:dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside
Formula:C24 H46 O10 Se
SMILES:O(C1C(OC([Se]CCCCCCCCCCCC)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C24H46O10Se/c1-2-3-4-5-6-7-8-9-10-11-12-35-24-21(31)19(29)22(16(14-26)33-24)34-23-20(30)18(28)17(27)15(13-25)32-23/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24+/m1/s1
Synonyms:DODECYL-BETA-D-SELENOMALTOSIDE
Definition date:2011-08-09
Last modified:2020-06-17
Identifier:dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside
2PR
2PR
Name:2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-9H-PURINE-5'-MONOPHOSPHATE
Formula:C10 H14 N5 O6 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1cnc(nc12)N)CC3O
InChi:InChI=1S/C10H14N5O6P/c11-10-12-2-5-9(14-10)15(4-13-5)8-1-6(16)7(21-8)3-20-22(17,18)19/h2,4,6-8,16H,1,3H2,(H2,11,12,14)(H2,17,18,19)/t6-,7+,8+/m0/s1
Synonyms:2-AMINOPURINE-2'-DEOXYRIBO-5'-MONOPHOSPHATE
Definition date:2000-07-14
Last modified:2020-06-17
Identifier:9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-2-amine
2QE
2QE
Name:(2S,4R)-4-(3-Methoxy-3-oxopropyl) glutamic acid
Formula:C9 H15 N O6
SMILES:O=C(OC)CCC(C(=O)O)CC(C(=O)O)N
InChi:InChI=1S/C9H15NO6/c1-16-7(11)3-2-5(8(12)13)4-6(10)9(14)15/h5-6H,2-4,10H2,1H3,(H,12,13)(H,14,15)/t5-,6+/m1/s1
Synonyms:(4R)-4-(3-methoxy-3-oxopropyl)-L-glutamic acid
Definition date:2014-01-18
Last modified:2020-06-17
Release date:2014-08-06
Identifier:(4R)-4-(3-methoxy-3-oxopropyl)-L-glutamic acid
2QR
2QR
Name:(2R,3R,4S,5S)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]tetrahydro-2H-pyr an-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
Formula:C22 H33 N4 O20 P3
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4OCC(NCc3c(cnc(c3O)C)COP(=O)(O)O)C(O)C4O)O)O
InChi:InChI=1S/C22H33N4O20P3/c1-9-15(28)11(10(4-23-9)6-42-47(34,35)36)5-24-12-7-41-21(19(32)16(12)29)45-49(39,40)46-48(37,38)43-8-13-17(30)18(31)20(44-13)26-3-2-14(27)25-22(26)33/h2-4,12-13,16-21,24,28-32H,5-8H2,1H3,(H,37,38)(H,39,40)(H,25,27,33)(H2,34,35,36)/t12-,13+,16-,17+,18+,19+,20+,21+/m0/s1
Synonyms:PLP-UDP-Ara4N
Definition date:2014-01-09
Last modified:2020-06-17
Release date:2014-03-12
Identifier:(2R,3R,4S,5S)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]tetrahydro-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)
LTT
LTT
Name:4-AMINO-1-[(2S,4S)-2-(HYDROXYMETHYL)-1,3-DIOXOLAN-4-YL]PYRIMIDIN-2(1H)-ONE
Formula:C8 H11 N3 O4
SMILES:O=C1N=C(N)C=CN1C2OC(OC2)CO
InChi:InChI=1S/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1
Synonyms:(-)-L-2',3'-DIDEOXY-3'-OXACYTIDINE
Definition date:2006-10-26
Last modified:2020-06-17
Identifier:4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2(1H)-one
LU2
LU2
Name:2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
Formula:C15 H10 O6
SMILES:O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cc(O)cc3O
InChi:InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
Synonyms:Luteolin
Definition date:2011-07-20
Last modified:2020-06-17
Identifier:2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
2R5
2R5
Name:N-tert-butyl-3-{[5-methyl-2-({4-[2-(1H-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide
Formula:C27 H32 N6 O3 S
SMILES:O=S(=O)(NC(C)(C)C)c1cccc(c1)Nc2nc(ncc2C)Nc4ccc(OCCn3cccc3)cc4
InChi:InChI=1S/C27H32N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h5-15,18-19,32H,16-17H2,1-4H3,(H2,28,29,30,31)
Synonyms:TG101348
Definition date:2014-01-10
Last modified:2020-06-17
Release date:2014-03-05
Identifier:N-tert-butyl-3-{[5-methyl-2-({4-[2-(1H-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide
LU7
LU7
Name:N~1~-{5-[(3-{[3-(L-arginylamino)propyl]amino}propyl)amino]pentyl}-N~2~-[(2,4-dihydroxyphenyl)acetyl]-L-aspartamide
Formula:C29 H52 N10 O6
SMILES:Oc1cc(O)ccc1CC(=O)NC(CC(N)=O)C(=O)NCCCCCNCCCNCCCNC(=O)C(N)CCCNC(=N)N
InChi:InChI=1S/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/m0/s1
Synonyms:Argiotoxin 636
Definition date:2019-03-14
Last modified:2020-06-17
Release date:2019-03-20
Identifier:N~1~-{5-[(3-{[3-(L-arginylamino)propyl]amino}propyl)amino]pentyl}-N~2~-[(2,4-dihydroxyphenyl)acetyl]-L-aspartamide
2RD
2RD
Name:5-(dodecylthio)-1H-1,2,3-triazole-4-carboxylic acid
Formula:C15 H27 N3 O2 S
SMILES:O=C(O)c1nnnc1SCCCCCCCCCCCC
InChi:InChI=1S/C15H27N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-21-14-13(15(19)20)16-18-17-14/h2-12H2,1H3,(H,19,20)(H,16,17,18)
Synonyms:4-carboxy-5-dodecylsulfanyl-1,2,3-triazole
Definition date:2007-10-08
Last modified:2020-06-17
Identifier:5-(dodecylsulfanyl)-1H-1,2,3-triazole-4-carboxylic acid
LUI
LUI
Name:2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide
Formula:C22 H25 N3 O3
SMILES:O=C(N)COc3ccc1c(C(=C(N(C1=O)CC(C)C)CN)c2ccccc2)c3
InChi:InChI=1S/C22H25N3O3/c1-14(2)12-25-19(11-23)21(15-6-4-3-5-7-15)18-10-16(28-13-20(24)26)8-9-17(18)22(25)27/h3-10,14H,11-13,23H2,1-2H3,(H2,24,26)
Synonyms:TAK-285
Definition date:2010-09-02
Last modified:2020-06-17
Identifier:2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide
LUJ
LUJ
Name:(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside
Formula:C26 H51 N5 O13
SMILES:CCCC1C(CO)OC(C(C1O)N)OC2C(N)CC(C(C2OC3OC(CO)C(C3O)OC4OC(CN)C(O)C(O)C4N)O)N
InChi:InChI=1S/C26H51N5O13/c1-2-3-8-12(6-32)40-24(14(30)16(8)34)42-21-10(29)4-9(28)17(35)23(21)44-26-20(38)22(13(7-33)41-26)43-25-15(31)19(37)18(36)11(5-27)39-25/h8-26,32-38H,2-7,27-31H2,1H3/t8-,9-,10+,11+,12-,13-,14-,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1
Synonyms:propylamycin
Definition date:2019-03-14
Last modified:2020-06-17
Release date:2019-04-17
Identifier:(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside
LUM
LUM
Name:LUMICHROME
Formula:C12 H10 N4 O2
SMILES:O=C1c2nc3c(nc2NC(=O)N1)cc(c(c3)C)C
InChi:InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
Synonyms:7,8-DIMETHYLALLOXAZINE
Definition date:2000-11-20
Last modified:2020-06-17
Identifier:7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione
LUQ
LUQ
Name:N-(2-acetamido)-2-aminoethanesulfonic acid
Formula:C4 H10 N2 O4 S
SMILES:NC(=O)CNCC[S](O)(=O)=O
InChi:InChI=1S/C4H10N2O4S/c5-4(7)3-6-1-2-11(8,9)10/h6H,1-3H2,(H2,5,7)(H,8,9,10)
Synonyms:N-(Carbamoylmethyl)taurine
Definition date:2019-09-09
Last modified:2020-06-17
Release date:2019-12-18
Identifier:2-[(2-azanyl-2-oxidanylidene-ethyl)amino]ethanesulfonic acid
2S0
2S0
Name:[(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopen ta[a]phenanthren-17-yl] acetate
Formula:C30 H37 N O4
SMILES:O=C5C=C1C(=C3C(CC1)C4C(C)(CC3c2ccc(N(C)C)cc2)C(OC(=O)C)(C(=O)C)CC4)CC5
InChi:InChI=1S/C30H37NO4/c1-18(32)30(35-19(2)33)15-14-27-25-12-8-21-16-23(34)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)31(4)5/h6-7,9-10,16,25-27H,8,11-15,17H2,1-5H3/t25-,26+,27-,29-,30-/m0/s1
Synonyms:ulipristal acetate
Definition date:2014-06-19
Last modified:2020-06-17
Release date:2014-10-08
Identifier:(11alpha,13alpha,17beta)-17-acetyl-11-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17-yl acetate
2SJ
2SJ
Name:N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Formula:C21 H23 N O6
SMILES:O=C3C=C2C(c1c(cc(OC)c(OC)c1OC)CCC2NC(=O)C)=CC=C3O
InChi:InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-16(24)17(25)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,25)/t15-/m0/s1
Synonyms:Colchiceine
Definition date:2014-01-21
Last modified:2020-06-17
Release date:2014-01-29
Identifier:N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
2TM
2TM
Name:5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine
Formula:C10 H18 N3 O13 P3
SMILES:O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
InChi:InChI=1S/C10H18N3O13P3/c11-6-1-2-13(10(16)12-6)9-8(15)7(14)5(25-9)3-24-27(17,18)4-28(19,20)26-29(21,22)23/h1-2,5,7-9,14-15H,3-4H2,(H,17,18)(H,19,20)(H2,11,12,16)(H2,21,22,23)/t5-,7-,8-,9-/m1/s1
Synonyms:CMPcPP
Definition date:2014-01-30
Last modified:2020-06-17
Release date:2014-05-07
Identifier:5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine
2TX
2TX
Name:(3S)-2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane
Formula:C30 H50 O
SMILES:O1C(C)(C)C1CCC(=CCCC(=C/CCC=C(/C)CCC=C(/C)CCC=C(/C)C)/C)C
InChi:InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+/t29-/m0/s1
Synonyms:2,3-Oxidosqualene
Definition date:2014-01-31
Last modified:2020-06-17
Release date:2015-04-15
Identifier:(3S)-2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane
LXN
LXN
Name:ALLOXAN
Formula:C4 H2 N2 O4
SMILES:O=C1C(=O)NC(=O)NC1=O
InChi:InChI=1S/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)
Synonyms:MESOXALYLUREA
Definition date:2010-06-07
Last modified:2020-06-17
Identifier:pyrimidine-2,4,5,6(1H,3H)-tetrone
2UO
2UO
Name:Mevastatin, Compactin
Formula:C23 H34 O5
SMILES:CC[CH](C)C(=O)O[CH]1CCC=C2C=C[CH](C)[CH](CC[CH]3C[CH](O)CC(=O)O3)[CH]12
InChi:InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
Synonyms:(1S,7S,8S,8aR)-8-{2-[(2R,4R,6R)-4,6-dihydroxytetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen- 1-yl (2S)-2-methylbutanoate
Definition date:2014-02-12
Last modified:2020-06-17
Release date:2015-02-18
Identifier:[(1~{S},7~{S},8~{S},8~{a}~{R})-7-methyl-8-[2-[(2~{R},4~{R})-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8~{a}-hexahydronaphthalen-1-yl] (2~{S})-2-methylbutanoate
LY2
LY2
Name:2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE
Formula:C19 H17 N O3
SMILES:O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4
InChi:InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
Synonyms:2-(4-MORPHOLINYL)-8-PHENYL-4H-1-BENZOPYRAN-4-ONE
Definition date:2000-09-11
Last modified:2020-06-17
Identifier:2-morpholin-4-yl-8-phenyl-4H-chromen-4-one
2V0
2V0
Name:(2R)-2-[(R)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:C8 H12 N2 O4 S
SMILES:O=C(O)C(N)C1SCC(=C(C(=O)O)N1)C
InChi:InChI=1S/C8H12N2O4S/c1-3-2-15-6(4(9)7(11)12)10-5(3)8(13)14/h4,6,10H,2,9H2,1H3,(H,11,12)(H,13,14)/t4-,6+/m0/s1
Synonyms:7-aminodeacetoxycephalosporanic acid, hydrolyzed form
Definition date:2014-02-17
Last modified:2020-06-17
Release date:2014-05-28
Identifier:(2R)-2-[(R)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
LY4
LY4
Name:(9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE
Formula:C28 H28 N4 O3
SMILES:O=C6NC(=O)C=5c1cn(c2ccccc12)CCOC(CN(C)C)CCn4c3ccccc3c(c4)C=56
InChi:InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
Synonyms:LY333531
Definition date:2003-12-15
Last modified:2020-06-17
Identifier:(9S)-9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-9H,18H-5,21:12,17-di(metheno)dibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione
LY5
LY5
Name:(3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid
Formula:C16 H24 F2 N2 O4
SMILES:FC1(CN(C(C1)C(O)=O)CC2CC3C(CC2)CNC(C(O)=O)C3)F
InChi:InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)/t9-,10-,11+,12-,13-/m0/s1
Synonyms:LY466195
Definition date:2007-09-11
Last modified:2020-06-17
Identifier:(3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid
2V4
2V4
Name:rabelomycin
Formula:C19 H14 O6
SMILES:O=C2c4c(C(=O)c3c1C(=O)CC(O)(C)Cc1cc(O)c23)cccc4O
InChi:InChI=1S/C19H14O6/c1-19(25)6-8-5-11(21)15-16(13(8)12(22)7-19)17(23)9-3-2-4-10(20)14(9)18(15)24/h2-5,20-21,25H,6-7H2,1H3/t19-/m1/s1
Synonyms:(3R)-3,6,8-trihydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione
Definition date:2014-02-19
Last modified:2020-06-17
Release date:2014-10-01
Identifier:(3R)-3,6,8-trihydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione

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数据于2025-07-02公开中

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