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OYW
OYW
Name:4-Cl-Bn7GpppG mRNA 5' cap analog
Formula:C27 H33 Cl N10 O18 P3
SMILES:NC1=Nc2n(cnc2C(=O)N1)C3OC(CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5c[n+](Cc6ccc(Cl)cc6)c7C(=O)NC(=Nc57)N)C(O)C3O
InChi:InChI=1S/C27H32ClN10O18P3/c28-11-3-1-10(2-4-11)5-36-9-38(21-15(36)23(44)35-27(30)33-21)25-19(42)17(40)13(54-25)7-52-58(47,48)56-59(49,50)55-57(45,46)51-6-12-16(39)18(41)24(53-12)37-8-31-14-20(37)32-26(29)34-22(14)43/h1-4,8-9,12-13,16-19,24-25,39-42H,5-7H2,(H8-,29,30,32,33,34,35,43,44,45,46,47,48,49,50)/p+1/t12?,13-,16?,17-,18?,19-,24?,25-/m1/s1
Synonyms:[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(4-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Definition date:2020-04-08
Last modified:2021-03-13
Release date:2020-06-10
Identifier:[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(4-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
M3R
M3R
Name:Methyl phosphonated L-Arginine
Formula:C7 H17 N4 O4 P
SMILES:O=P(O)(NC(C(=O)O)CCCNC(=[N@H])N)C
InChi:InChI=1S/C7H17N4O4P/c1-16(14,15)11-5(6(12)13)3-2-4-10-7(8)9/h5H,2-4H2,1H3,(H,12,13)(H4,8,9,10)(H2,11,14,15)/t5-/m0/s1
Synonyms:(2S)-5-carbamimidamido-2-[(hydroxy-methyl-phosphoryl)amino]pentanoic acid
Definition date:2009-03-20
Last modified:2021-03-01
Identifier:N~2~-[(R)-hydroxy(methyl)phosphoryl]-L-arginine
OLC
OLC
Name:(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Formula:C21 H40 O4
SMILES:O=C(OCC(O)CO)CCCCCCCC=C/CCCCCCCC
InChi:InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1
Synonyms:1-Oleoyl-R-glycerol
Definition date:2008-05-22
Last modified:2021-03-01
Identifier:(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
GKM
GKM
Name:1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
Formula:C39 H52 N6 O9 S
SMILES:C4CC(C(N6CC(Oc2nc1cc(OC)ccc1nc2C)CC6C(NC3(C(C3)C=CCCC4)C(NS(C5(C)CC5)(=O)=O)=O)=O)=O)NC(OC7(C)CCCC7)=O
InChi:InChI=1S/C39H52N6O9S/c1-24-33(41-30-20-26(52-4)14-15-28(30)40-24)53-27-21-31-32(46)43-39(35(48)44-55(50,51)38(3)18-19-38)22-25(39)12-8-6-5-7-9-13-29(34(47)45(31)23-27)42-36(49)54-37(2)16-10-11-17-37/h8,12,14-15,20,25,27,29,31H,5-7,9-11,13,16-19,21-23H2,1-4H3,(H,42,49)(H,43,46)(H,44,48)/b12-8-/t25-,27-,29+,31+,39-/m1/s1
Synonyms:P4-3(AJ-74)
Definition date:2018-05-24
Last modified:2021-03-01
Release date:2019-07-31
Identifier:1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
HM6
HM6
Name:4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid
Formula:C10 H8 N4 O5
SMILES:O=C(O)c1nc(cc(c1)n2nnc(c2)CO)C(=O)O
InChi:InChI=1S/C10H8N4O5/c15-4-5-3-14(13-12-5)6-1-7(9(16)17)11-8(2-6)10(18)19/h1-3,15H,4H2,(H,16,17)(H,18,19)
Synonyms:HYDROXYMETHYLTRIAZOLE DIPICOLINIC ACID
Definition date:2012-09-13
Last modified:2021-03-01
Release date:2012-11-09
Identifier:4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]pyridine-2,6-dicarboxylic acid
VWJ
VWJ
Name:N-(propan-2-yl)-1H-benzimidazol-2-amine
Formula:C10 H13 N3
SMILES:N(c1nc2c(n1)cccc2)C(C)C
InChi:InChI=1S/C10H13N3/c1-7(2)11-10-12-8-5-3-4-6-9(8)13-10/h3-7H,1-2H3,(H2,11,12,13)
Definition date:2020-09-17
Last modified:2020-09-25
Release date:2020-09-30
Identifier:N-(propan-2-yl)-1H-benzimidazol-2-amine
F1P
F1P
Name:1-O-phosphono-beta-D-fructopyranose
Formula:C6 H13 O9 P
SMILES:O=P(O)(O)OCC1(O)OCC(O)C(O)C1O
InChi:InChI=1S/C6H13O9P/c7-3-1-14-6(10,5(9)4(3)8)2-15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
Synonyms:BETA-D-FRUCTOPYRANOSE-1-PHOSPHATE
Definition date:2006-02-28
Last modified:2020-07-17
Identifier:1-O-phosphono-beta-D-fructopyranose
MLG
MLG
Name:N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE
Formula:C13 H15 Cl2 N O
SMILES:Clc1cc(Cl)ccc1OCCCN(CC#C)C
InChi:InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
Synonyms:N-METHYL-N-PROPARGYL-3-(2,4-DICHLOROPHENOXY)PROPYLAMINE
Definition date:2003-10-08
Last modified:2020-06-17
Identifier:N-[3-(2,4-dichlorophenoxy)propyl]-N-methylprop-2-yn-1-amine
A6L
A6L
Name:2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Formula:C21 H40 O4
SMILES:C(C(OCC(CO)O)=O)CCCCCCC=C/CCCCCCCC
InChi:InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
Synonyms:monoolein
Definition date:2018-10-02
Last modified:2020-06-17
Release date:2019-02-13
Identifier:2,3-dihydroxypropyl (9Z)-octadec-9-enoate
PGK
PGK
Name:(1R)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (9S,10S)-9,10-DIBROMOOCTADECANOATE
Formula:C40 H77 Br2 O10 P
SMILES:BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC
InChi:InChI=1S/C40H77Br2O10P/c1-3-5-7-9-11-12-13-14-15-16-17-21-25-29-39(45)49-33-36(34-51-53(47,48)50-32-35(44)31-43)52-40(46)30-26-22-18-20-24-28-38(42)37(41)27-23-19-10-8-6-4-2/h35-38,43-44H,3-34H2,1-2H3,(H,47,48)/t35-,36-,37+,38+/m1/s1
Synonyms:DIBROMINATED PHOSPHATIDYLGLYCEROL
Definition date:2006-07-06
Last modified:2020-06-17
Identifier:(1R)-2-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9S,10S)-9,10-dibromooctadecanoate
RNA
RNA
Name:4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE
Formula:C16 H14 N2 O4 S2
SMILES:O=C1N=C(S/C1=Cc2oc(cc2)C)NS(=O)(=O)c3ccc(cc3)C
InChi:InChI=1S/C16H14N2O4S2/c1-10-3-7-13(8-4-10)24(20,21)18-16-17-15(19)14(23-16)9-12-6-5-11(2)22-12/h3-9H,1-2H3,(H,17,18,19)/b14-9-
Synonyms:(Z)-4-METHYL-N-(5-((5-METHYLFURAN-2-YL)METHYLENE)-4-OXO-4,5-DIHYDROTHIAZOL-2-YL)BENZENESULFONAMIDE
Definition date:2006-08-02
Last modified:2020-06-17
Identifier:4-methyl-N-{(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide
CYT
CYT
Name:6-AMINOPYRIMIDIN-2(1H)-ONE
Formula:C4 H5 N3 O
SMILES:O=C1N=CC=C(N)N1
InChi:InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
Synonyms:CYTOSINE
Definition date:2007-01-29
Last modified:2020-06-17
Identifier:6-aminopyrimidin-2(1H)-one
GTG
GTG
Name:7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE
Formula:C21 H30 N10 O18 P3
SMILES:O=C1NC(=Nc2c1[n+](cn2C3OC(C(O)C3O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O)C(O)C6O)C)N
InChi:InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p+1/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
Synonyms:MRNA CAP ANALOG N7-METHYL GPPPG
Definition date:2002-11-04
Last modified:2020-06-17
Identifier:2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[{[(R)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium (non-preferred name)
NN5
NN5
Name:[4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone
Formula:C25 H25 N5 O3
SMILES:Cc1cc(cc(C)c1O)c2ccc3nc(Nc4ccc(cc4)C(=O)N5CCOCC5)nn3c2
InChi:InChI=1S/C25H25N5O3/c1-16-13-20(14-17(2)23(16)31)19-5-8-22-27-25(28-30(22)15-19)26-21-6-3-18(4-7-21)24(32)29-9-11-33-12-10-29/h3-8,13-15,31H,9-12H2,1-2H3,(H,26,28)
Definition date:2019-12-06
Last modified:2020-05-08
Release date:2020-05-13
Identifier:[4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone
F8L
F8L
Name:[(2Z,6E,10E,14Z,18E,22Z,26Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [(2S,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate
Formula:C55 H91 O8 P
SMILES:CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH]1O
InChi:InChI=1S/C55H91O8P/c1-42(2)21-12-22-43(3)23-13-24-44(4)25-14-26-45(5)27-15-28-46(6)29-16-30-47(7)31-17-32-48(8)33-18-34-49(9)35-19-36-50(10)37-20-38-51(11)39-40-61-64(59,60)63-55-54(58)53(57)52(41-56)62-55/h21,23,25,27,29,31,33,35,37,39,52-58H,12-20,22,24,26,28,30,32,34,36,38,40-41H2,1-11H3,(H,59,60)/b43-23?,44-25?,45-27-,46-29-,47-31+,48-33-,49-35+,50-37+,51-39-/t52-,53-,54+,55+/m1/s1
Definition date:2020-04-14
Last modified:2020-04-24
Release date:2020-04-29
Identifier:[(2~{Z},6~{E},10~{E},14~{Z},18~{E},22~{Z},26~{Z})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate
KA2
KA2
Name:2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol
Formula:C21 H22 N4 O4 S2
SMILES:CC(C)(C)[S](=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO
InChi:InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25)
Definition date:2019-05-08
Last modified:2019-07-12
Release date:2019-07-17
Identifier:2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol
8Y5
8Y5
Name:~{N}-[4-[2-[(3-cyanophenyl)methoxy]pyridin-3-yl]thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide
Formula:C27 H23 N3 O4 S2
SMILES:CC[S](=O)(=O)c1ccc(CC(=O)Nc2scc(c2)c3cccnc3OCc4cccc(c4)C#N)cc1
InChi:InChI=1S/C27H23N3O4S2/c1-2-36(32,33)23-10-8-19(9-11-23)14-25(31)30-26-15-22(18-35-26)24-7-4-12-29-27(24)34-17-21-6-3-5-20(13-21)16-28/h3-13,15,18H,2,14,17H2,1H3,(H,30,31)
Definition date:2017-03-23
Last modified:2018-08-17
Release date:2018-08-22
Identifier:~{N}-[4-[2-[(3-cyanophenyl)methoxy]pyridin-3-yl]thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide
DV3
DV3
Name:1,4-anhydro-2-deoxy-5-O-thiophosphono-D-erythro-pentitol
Formula:C5 H11 O5 P S
SMILES:O(P(S)(O)=O)CC1OCCC1O
InChi:InChI=1S/C5H11O5PS/c6-4-1-2-9-5(4)3-10-11(7,8)12/h4-6H,1-3H2,(H2,7,8,12)/t4-,5+/m0/s1
Definition date:2017-11-22
Last modified:2018-08-10
Release date:2018-08-15
Identifier:1,4-anhydro-2-deoxy-5-O-thiophosphono-D-erythro-pentitol
5Y9
5Y9
Name:~{N},~{N}-dimethylethanamide
Formula:C4 H9 N O
SMILES:CN(C)C(C)=O
InChi:InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
Definition date:2016-01-05
Last modified:2017-01-20
Release date:2017-01-25
Identifier:~{N},~{N}-dimethylethanamide
5JD
5JD
Name:3,4-dichlorophenol
Formula:C6 H4 Cl2 O
SMILES:c1c(Cl)c(Cl)ccc1O
InChi:InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
Definition date:2015-09-30
Last modified:2016-09-30
Release date:2016-10-05
Identifier:3,4-dichlorophenol
GWX
GWX
Name:(2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC ACID
Formula:C26 H46 N4 O4
SMILES:CC1(C)[CH]2CC[C]1(C)[CH](C2)NC(=O)[CH](CC3CCCCC3)NC(=O)N[CH](CCCCN)C(O)=O
InChi:InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)21(16-18)30-22(31)20(15-17-9-5-4-6-10-17)29-24(34)28-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,30,31)(H,32,33)(H2,28,29,34)/t18-,19+,20-,21+,26+/m1/s1
Definition date:2015-03-27
Last modified:2015-05-29
Release date:2015-06-03
Identifier:(2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-oxidanylidene-1-[[(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]amino]propan-2-yl]carbamoylamino]hexanoic acid
49G
49G
Name:N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine
Formula:C13 H17 N3
SMILES:n1c(ccn1C)CNCCc2ccccc2
InChi:InChI=1S/C13H17N3/c1-16-10-8-13(15-16)11-14-9-7-12-5-3-2-4-6-12/h2-6,8,10,14H,7,9,11H2,1H3
Definition date:2015-02-17
Last modified:2015-05-01
Release date:2015-05-06
Identifier:N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine
RC5
RC5
Name:[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid
Formula:C14 H22 N O5 P
SMILES:O=P(O)(O)CC(CCCc1ccccc1)CC(=O)N(O)C
InChi:InChI=1S/C14H22NO5P/c1-15(17)14(16)10-13(11-21(18,19)20)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13,17H,5,8-11H2,1H3,(H2,18,19,20)/t13-/m1/s1
Definition date:2015-02-12
Last modified:2015-03-27
Release date:2015-04-01
Identifier:[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid
ZT2
ZT2
Name:5-[(E)-(2-OXO-2,3-DIHYDRO-1H-INDEN-1-YLIDENE)METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
Formula:C18 H12 O5
SMILES:O=C2C(c1ccccc1C2)=Cc3ccc4OCOc4c3C(=O)O
InChi:InChI=1S/C18H12O5/c19-14-8-10-3-1-2-4-12(10)13(14)7-11-5-6-15-17(23-9-22-15)16(11)18(20)21/h1-7H,8-9H2,(H,20,21)/b13-7+
Definition date:2011-07-01
Last modified:2014-09-05
Identifier:5-[(E)-(2-oxo-2,3-dihydro-1H-inden-1-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid
H34
H34
Name:(1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL
Formula:C23 H26 Cl N5 O
SMILES:Clc2ccc1c(N)c4c(nc1c2)CC5C=C(CCCCn3nnc(c3)CO)CC4C5
InChi:InChI=1S/C23H26ClN5O/c24-17-4-5-19-20(11-17)26-21-10-15-7-14(8-16(9-15)22(21)23(19)25)3-1-2-6-29-12-18(13-30)27-28-29/h4-5,7,11-12,15-16,30H,1-3,6,8-10,13H2,(H2,25,26)/t15-,16+/m0/s1
Definition date:2011-09-14
Last modified:2014-09-05
Identifier:(1-{4-[(7S,11S)-12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl]butyl}-1H-1,2,3-triazol-4-yl)methanol

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数据于2024-10-09公开中

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