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L7J
L7J
Name:6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indole
Formula:C21 H15 Cl2 F3 N2 O3 S
SMILES:c1(cc(ccc1)C(F)(F)F)S(N3CCc2ccc(cc23)OCc4c(cncc4Cl)Cl)(=O)=O
InChi:InChI=1S/C21H15Cl2F3N2O3S/c22-18-10-27-11-19(23)17(18)12-31-15-5-4-13-6-7-28(20(13)9-15)32(29,30)16-3-1-2-14(8-16)21(24,25)26/h1-5,8-11H,6-7,12H2
Definition date:2019-02-08
Last modified:2019-07-05
Release date:2019-07-10
Identifier:6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indole
L7P
L7P
Name:1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol
Formula:C26 H24 F7 N3 O
SMILES:C(O)(C(F)(F)F)(c4cc(F)c(c3ccc(CN1CCN(CC1)Cc2ccncc2)cc3)cc4)C(F)(F)F
InChi:InChI=1S/C26H24F7N3O/c27-23-15-21(24(37,25(28,29)30)26(31,32)33)5-6-22(23)20-3-1-18(2-4-20)16-35-11-13-36(14-12-35)17-19-7-9-34-10-8-19/h1-10,15,37H,11-14,16-17H2
Definition date:2019-02-08
Last modified:2019-07-05
Release date:2019-07-10
Identifier:1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol
NNM
NNM
Name:(3R)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate
Formula:C40 H69 O4 P
SMILES:C(CCCC(=C)/CCCC(=C)CCC/C(CCCC(=C)CCC/C(CCCC(=C)CCCC(=C)C)=C)=C)(CCOP(O)(O)=O)C
InChi:InChI=1S/C40H69O4P/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-44-45(41,42)43/h40H,1,3-8,10-32H2,2,9H3,(H2,41,42,43)/t40-/m1/s1
Definition date:2019-05-22
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(3R)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate
O2A
O2A
Name:N-methyl-1H-indole-7-carboxamide
Formula:C10 H10 N2 O
SMILES:N(C(c2cccc1ccnc12)=O)C
InChi:InChI=1S/C10H10N2O/c1-11-10(13)8-4-2-3-7-5-6-12-9(7)8/h2-6,12H,1H3,(H,11,13)
Definition date:2019-06-04
Last modified:2019-07-05
Release date:2019-07-10
Identifier:N-methyl-1H-indole-7-carboxamide
L9J
L9J
Name:(1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide
Formula:C40 H54 F2 N6 O9 S
SMILES:C34CN(C(C(=O)NC2(C(NS(C1(CC1)C)(=O)=O)=O)C(C(F)F)C2)C3CC)C(C(C(C)(C)C)NC(=O)OC7C(CCCCCc6c(O4)nc5cc(OC)ccc5n6)C7)=O
InChi:InChI=1S/C40H54F2N6O9S/c1-7-23-29-20-48(30(23)33(49)46-40(19-24(40)32(41)42)36(51)47-58(53,54)39(5)15-16-39)35(50)31(38(2,3)4)45-37(52)57-28-17-21(28)11-9-8-10-12-26-34(56-29)44-27-18-22(55-6)13-14-25(27)43-26/h13-14,18,21,23-24,28-32H,7-12,15-17,19-20H2,1-6H3,(H,45,52)(H,46,49)(H,47,51)/t21-,23-,24+,28-,29+,30+,31-,40-/m1/s1
Definition date:2019-02-15
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide
H4E
H4E
Name:ethyl 4-azanyl-3-bromanyl-benzoate
Formula:C9 H10 Br N O2
SMILES:CCOC(=O)c1ccc(N)c(Br)c1
InChi:InChI=1S/C9H10BrNO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2,11H2,1H3
Definition date:2018-11-15
Last modified:2019-07-05
Release date:2019-07-10
Identifier:ethyl 4-azanyl-3-bromanyl-benzoate
H4H
H4H
Name:(1~{R},2~{S},4~{S})-~{N}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide
Formula:C15 H15 Cl N2 O3 S
SMILES:Clc1cc(ccc1C#N)[S](=O)(=O)NC(=O)[CH]2C[CH]3CC[CH]2C3
InChi:InChI=1S/C15H15ClN2O3S/c16-14-7-12(4-3-11(14)8-17)22(20,21)18-15(19)13-6-9-1-2-10(13)5-9/h3-4,7,9-10,13H,1-2,5-6H2,(H,18,19)/t9-,10+,13-/m0/s1
Definition date:2018-11-15
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(1~{R},2~{S},4~{S})-~{N}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide
H4T
H4T
Name:6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone
Formula:C14 H15 Cl2 N O2
SMILES:Oc1cc(Cl)cc(Cl)c1C(=O)N2CCC3(CCC3)C2
InChi:InChI=1S/C14H15Cl2NO2/c15-9-6-10(16)12(11(18)7-9)13(19)17-5-4-14(8-17)2-1-3-14/h6-7,18H,1-5,8H2
Definition date:2018-11-16
Last modified:2019-07-05
Release date:2019-07-10
Identifier:6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone
H5B
H5B
Name:4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid
Formula:C11 H7 Br O3
SMILES:OC(=O)c1cc(Br)c2ccccc2c1O
InChi:InChI=1S/C11H7BrO3/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)
Definition date:2018-11-16
Last modified:2019-07-05
Release date:2019-07-10
Identifier:4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid
H5E
H5E
Name:6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
Formula:C13 H17 N3 O2 S
SMILES:CC(C)(C)c1csc(CN2C(=O)NC3(CC3)C2=O)n1
InChi:InChI=1S/C13H17N3O2S/c1-12(2,3)8-7-19-9(14-8)6-16-10(17)13(4-5-13)15-11(16)18/h7H,4-6H2,1-3H3,(H,15,18)
Definition date:2018-11-16
Last modified:2019-07-05
Release date:2019-07-10
Identifier:6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
H6E
H6E
Name:2-[[(3~{R})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane
Formula:C15 H27 N O3 S
SMILES:O=[S](=O)(C[CH]1CCCOC1)N2CCC3(CCCCC3)C2
InChi:InChI=1S/C15H27NO3S/c17-20(18,12-14-5-4-10-19-11-14)16-9-8-15(13-16)6-2-1-3-7-15/h14H,1-13H2/t14-/m1/s1
Definition date:2018-11-16
Last modified:2019-07-05
Release date:2019-07-10
Identifier:2-[[(3~{R})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane
LV4
LV4
Name:1-[2-(trifluoromethyloxy)phenyl]thiourea
Formula:C8 H7 F3 N2 O S
SMILES:NC(=S)Nc1ccccc1OC(F)(F)F
InChi:InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-4-2-1-3-5(6)13-7(12)15/h1-4H,(H3,12,13,15)
Definition date:2019-03-15
Last modified:2019-07-05
Release date:2019-07-10
Identifier:1-[2-(trifluoromethyloxy)phenyl]thiourea
KUM
KUM
Name:[2-(1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
Formula:C21 H19 N3 O4
SMILES:c1(c(c(OC)cc(c1)C(=O)c2cnc(n2)c4c3ccccc3nc4)OC)OC
InChi:InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,24)
Definition date:2018-01-17
Last modified:2019-07-05
Release date:2019-07-10
Identifier:[2-(1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
PD9
PD9
Name:(~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide
Formula:C14 H15 N3 O5
SMILES:CCN(CC)C(=O)C(=Cc1cc(O)c(O)c(c1)[N+]([O-])=O)C#N
InChi:InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+
Definition date:2015-10-30
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide
HKM
HKM
Name:2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile
Formula:C16 H12 N4 O S
SMILES:c1cc(c(C#N)cc1)Oc2cccnc2Nc3nc(C)cs3
InChi:InChI=1S/C16H12N4OS/c1-11-10-22-16(19-11)20-15-14(7-4-8-18-15)21-13-6-3-2-5-12(13)9-17/h2-8,10H,1H3,(H,18,19,20)
Definition date:2018-07-09
Last modified:2019-07-05
Release date:2019-07-10
Identifier:2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile
HL7
HL7
Name:(1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate
Formula:C37 H47 N5 O4 S
SMILES:O=C(NC)OC1CCCC1C6(C2CCN(CC2)CC3CN(C3)c5ccc(S(=O)(c4ccncc4)=O)cc5)CN(Cc7c6cccc7)C
InChi:InChI=1S/C37H47N5O4S/c1-38-36(43)46-35-9-5-8-34(35)37(26-40(2)25-28-6-3-4-7-33(28)37)29-16-20-41(21-17-29)22-27-23-42(24-27)30-10-12-31(13-11-30)47(44,45)32-14-18-39-19-15-32/h3-4,6-7,10-15,18-19,27,29,34-35H,5,8-9,16-17,20-26H2,1-2H3,(H,38,43)/t34-,35-,37-/m0/s1
Definition date:2018-07-10
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate
HLG
HLG
Name:N-{3-[(4-aminobutyl)amino]propyl}acetamide
Formula:C9 H21 N3 O
SMILES:CC(NCCCNCCCCN)=O
InChi:InChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13)
Definition date:2018-07-11
Last modified:2019-07-05
Release date:2019-07-10
Identifier:N-{3-[(4-aminobutyl)amino]propyl}acetamide
HRK
HRK
Name:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol
Formula:C20 H27 N3 O9 S
SMILES:OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccccc4)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C20H27N3O9S/c24-7-11-14(26)13(23-6-10(21-22-23)9-4-2-1-3-5-9)16(28)19(31-11)33-20-18(30)17(29)15(27)12(8-25)32-20/h1-6,11-20,24-30H,7-8H2/t11-,12-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1
Definition date:2019-02-01
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol
J3Q
J3Q
Name:(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
Formula:C21 H20 F3 N3 O4 S
SMILES:Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cc(F)c(F)c(F)c4)cc1
InChi:InChI=1S/C21H20F3N3O4S/c1-10-2-4-12(5-3-10)32-21-20(30)18(19(29)16(9-28)31-21)27-8-15(25-26-27)11-6-13(22)17(24)14(23)7-11/h2-8,16,18-21,28-30H,9H2,1H3/t16-,18+,19+,20-,21+/m1/s1
Definition date:2019-02-01
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
J4E
J4E
Name:(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
Formula:C21 H22 F N3 O4 S
SMILES:Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccc(F)cc4)cc1
InChi:InChI=1S/C21H22FN3O4S/c1-12-2-8-15(9-3-12)30-21-20(28)18(19(27)17(11-26)29-21)25-10-16(23-24-25)13-4-6-14(22)7-5-13/h2-10,17-21,26-28H,11H2,1H3/t17-,18+,19+,20-,21+/m1/s1
Definition date:2019-02-01
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
J4N
J4N
Name:(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
Formula:C21 H21 F2 N3 O4 S
SMILES:Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cc(F)cc(F)c4)cc1
InChi:InChI=1S/C21H21F2N3O4S/c1-11-2-4-15(5-3-11)31-21-20(29)18(19(28)17(10-27)30-21)26-9-16(24-25-26)12-6-13(22)8-14(23)7-12/h2-9,17-21,27-29H,10H2,1H3/t17-,18+,19+,20-,21+/m1/s1
Definition date:2019-02-01
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
J5E
J5E
Name:(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,4-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
Formula:C21 H21 F2 N3 O4 S
SMILES:Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccc(F)c(F)c4)cc1
InChi:InChI=1S/C21H21F2N3O4S/c1-11-2-5-13(6-3-11)31-21-20(29)18(19(28)17(10-27)30-21)26-9-16(24-25-26)12-4-7-14(22)15(23)8-12/h2-9,17-21,27-29H,10H2,1H3/t17-,18+,19+,20-,21+/m1/s1
Definition date:2019-02-01
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,4-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
J5Q
J5Q
Name:(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
Formula:C21 H22 F N3 O4 S
SMILES:Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cccc(F)c4)cc1
InChi:InChI=1S/C21H22FN3O4S/c1-12-5-7-15(8-6-12)30-21-20(28)18(19(27)17(11-26)29-21)25-10-16(23-24-25)13-3-2-4-14(22)9-13/h2-10,17-21,26-28H,11H2,1H3/t17-,18+,19+,20-,21+/m1/s1
Definition date:2019-02-01
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
J5W
J5W
Name:(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
Formula:C21 H22 F N3 O4 S
SMILES:Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccccc4F)cc1
InChi:InChI=1S/C21H22FN3O4S/c1-12-6-8-13(9-7-12)30-21-20(28)18(19(27)17(11-26)29-21)25-10-16(23-24-25)14-4-2-3-5-15(14)22/h2-10,17-21,26-28H,11H2,1H3/t17-,18+,19+,20-,21+/m1/s1
Definition date:2019-02-01
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
J62
J62
Name:(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluoranyl-3-methyl-phenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
Formula:C22 H24 F N3 O4 S
SMILES:Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccc(F)c(C)c4)cc1
InChi:InChI=1S/C22H24FN3O4S/c1-12-3-6-15(7-4-12)31-22-21(29)19(20(28)18(11-27)30-22)26-10-17(24-25-26)14-5-8-16(23)13(2)9-14/h3-10,18-22,27-29H,11H2,1-2H3/t18-,19+,20+,21-,22+/m1/s1
Definition date:2019-02-01
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluoranyl-3-methyl-phenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol

223166

數據於2024-07-31公開中

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