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VI1

VI1
Name:	(1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid
Formula:	C20 H27 N O5 S
SMILES:	O=C(O)C1CCCCC1C(=O)Nc1sc2CCCCCCc2c1C(=O)OC
InChi:	InChI=1S/C20H27NO5S/c1-26-20(25)16-14-10-4-2-3-5-11-15(14)27-18(16)21-17(22)12-8-6-7-9-13(12)19(23)24/h12-13H,2-11H2,1H3,(H,21,22)(H,23,24)/t12-,13-/m1/s1
Definition date:	2023-09-12
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	(1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid

VY8

VY8
Name:	1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea
Formula:	C12 H19 N3 O S
SMILES:	COc1ccccc1NC(=S)NCCN(C)C
InChi:	InChI=1S/C12H19N3OS/c1-15(2)9-8-13-12(17)14-10-6-4-5-7-11(10)16-3/h4-7H,8-9H2,1-3H3,(H2,13,14,17)
Definition date:	2023-04-13
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea

GV3

GV3
Name:	5'-S-[3-(N'-phenylcarbamimidamido)propyl]-5'-thioadenosine
Formula:	C20 H26 N8 O3 S
SMILES:	N=C(Nc1ccccc1)NCCCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C20H26N8O3S/c21-17-14-18(25-10-24-17)28(11-26-14)19-16(30)15(29)13(31-19)9-32-8-4-7-23-20(22)27-12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,19,29-30H,4,7-9H2,(H2,21,24,25)(H3,22,23,27)/t13-,15-,16-,19-/m1/s1
Definition date:	2023-05-01
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	5'-S-[3-(N'-phenylcarbamimidamido)propyl]-5'-thioadenosine

GWU

GWU
Name:	5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine
Formula:	C23 H33 N9 O4
SMILES:	NCCCN(CCNC(=O)NCc1ccccc1)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C23H33N9O4/c24-7-4-9-31(10-8-26-23(35)27-11-15-5-2-1-3-6-15)12-16-18(33)19(34)22(36-16)32-14-30-17-20(25)28-13-29-21(17)32/h1-3,5-6,13-14,16,18-19,22,33-34H,4,7-12,24H2,(H2,25,28,29)(H2,26,27,35)/t16-,18-,19-,22-/m1/s1
Definition date:	2023-05-01
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine

I1K

I1K
Name:	5'-{[2-(benzylcarbamamido)ethyl][3-(N'-cyclopentylcarbamimidamido)propyl]amino}-5'-deoxyadenosine
Formula:	C29 H43 N11 O4
SMILES:	N=C(NC1CCCC1)NCCCN(CCNC(=O)NCc1ccccc1)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C29H43N11O4/c30-25-22-26(36-17-35-25)40(18-37-22)27-24(42)23(41)21(44-27)16-39(13-6-11-32-28(31)38-20-9-4-5-10-20)14-12-33-29(43)34-15-19-7-2-1-3-8-19/h1-3,7-8,17-18,20-21,23-24,27,41-42H,4-6,9-16H2,(H2,30,35,36)(H3,31,32,38)(H2,33,34,43)/t21-,23-,24-,27-/m1/s1
Definition date:	2023-05-01
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	5'-{[2-(benzylcarbamamido)ethyl][3-(N'-cyclopentylcarbamimidamido)propyl]amino}-5'-deoxyadenosine

I4Y

I4Y
Name:	2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid
Formula:	C14 H12 O6 S
SMILES:	COc1cc(O)c(cc1[S](O)(=O)=O)C(=O)c2ccccc2
InChi:	InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)
Definition date:	2022-06-07
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid

I72

I72
Name:	(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
Formula:	C29 H48 O3
SMILES:	C[CH](CCCC(C)(C)O)[CH]1CCCC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C
InChi:	InChI=1S/C29H48O3/c1-20(10-8-16-28(3,4)32)25-12-6-7-13-26-22(11-9-17-29(25,26)5)14-15-23-18-24(30)19-27(31)21(23)2/h14-15,20,24-27,30-32H,2,6-13,16-19H2,1,3-5H3/b22-14+,23-15-/t20-,24-,25+,26+,27+,29-/m1/s1
Definition date:	2023-07-27
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol

IFU

IFU
Name:	(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]cyclohexane-1,3-diol
Formula:	C28 H48 O3
SMILES:	C[CH](CCCC(C)(C)O)[CH]1CCCC[CH]2C(CCC[C]12C)=C[CH]=[C]3C[CH](O)[CH2][CH](O)C3
InChi:	InChI=1S/C28H48O3/c1-20(9-7-15-27(2,3)31)25-11-5-6-12-26-22(10-8-16-28(25,26)4)14-13-21-17-23(29)19-24(30)18-21/h13-14,20,23-26,29-31H,5-12,15-19H2,1-4H3/b22-14+/t20-,23-,24-,25+,26+,28-/m1/s1
Definition date:	2023-08-01
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]cyclohexane-1,3-diol

IG5

IG5
Name:	(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-(3-oxidanylpropylidene)cyclohexane-1,3-diol
Formula:	C31 H52 O4
SMILES:	C[CH](CCCC(C)(C)O)[CH]1CCCC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=CCCO)[CH](O)C3
InChi:	InChI=1S/C31H52O4/c1-22(10-7-17-30(2,3)35)26-13-5-6-14-27-24(11-8-18-31(26,27)4)16-15-23-20-28(33)25(12-9-19-32)29(34)21-23/h12,15-16,22,26-29,32-35H,5-11,13-14,17-21H2,1-4H3/b23-15-,24-16+,25-12+/t22-,26+,27+,28-,29-,31-/m1/s1
Definition date:	2023-08-01
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-(3-oxidanylpropylidene)cyclohexane-1,3-diol

IQM

IQM
Name:	5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide
Formula:	C17 H15 F N2 O2
SMILES:	NC(=O)c1cc(F)cc2cc(oc12)c1ccc(CNC)cc1
InChi:	InChI=1S/C17H15FN2O2/c1-20-9-10-2-4-11(5-3-10)15-7-12-6-13(18)8-14(17(19)21)16(12)22-15/h2-8,20H,9H2,1H3,(H2,19,21)
Definition date:	2023-08-02
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide

JMR

JMR
Name:	1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide
Formula:	C12 H15 Br Cl N3 O2 S
SMILES:	N=CN1CCC(NS(=O)(=O)Cc2ccc(Cl)cc2Br)C1
InChi:	InChI=1S/C12H15BrClN3O2S/c13-12-5-10(14)2-1-9(12)7-20(18,19)16-11-3-4-17(6-11)8-15/h1-2,5,8,11,15-16H,3-4,6-7H2/b15-8-/t11-/m0/s1
Definition date:	2023-08-08
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(Z)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide

JR0

JR0
Name:	N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide
Formula:	C34 H39 N7 O5
SMILES:	O=C(C1CCN(CC1)c1nc(C)cc(n1)C(=O)NCc1ccccc1)N1CCN(CC1)C(=O)c1cc2c(OC)c(OC)ccc2[NH]1
InChi:	InChI=1S/C34H39N7O5/c1-22-19-27(31(42)35-21-23-7-5-4-6-8-23)38-34(36-22)41-13-11-24(12-14-41)32(43)39-15-17-40(18-16-39)33(44)28-20-25-26(37-28)9-10-29(45-2)30(25)46-3/h4-10,19-20,24,37H,11-18,21H2,1-3H3,(H,35,42)
Definition date:	2023-08-08
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide

JS9

JS9
Name:	4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide
Formula:	C31 H35 N5 O4
SMILES:	COCC1(CC1)CN(C)C(=O)c1ccc(cc1)CCn1cc(nn1)c1ccc(nc1)c1cc(OC)ccc1OC
InChi:	InChI=1S/C31H35N5O4/c1-35(20-31(14-15-31)21-38-2)30(37)23-7-5-22(6-8-23)13-16-36-19-28(33-34-36)24-9-11-27(32-18-24)26-17-25(39-3)10-12-29(26)40-4/h5-12,17-19H,13-16,20-21H2,1-4H3
Definition date:	2023-08-09
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide

K4R

K4R
Name:	1H-indazole-3-carbonitrile
Formula:	C8 H5 N3
SMILES:	N#Cc1n[NH]c2ccccc21
InChi:	InChI=1S/C8H5N3/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-4H,(H,10,11)
Definition date:	2023-08-10
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	1H-indazole-3-carbonitrile

K6C

K6C
Name:	4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide
Formula:	C26 H27 N5 O3
SMILES:	CN(C)C(=O)c1ccc(cc1)CCn1cc(nn1)c1ccc(nc1)c1cc(OC)ccc1OC
InChi:	InChI=1S/C26H27N5O3/c1-30(2)26(32)19-7-5-18(6-8-19)13-14-31-17-24(28-29-31)20-9-11-23(27-16-20)22-15-21(33-3)10-12-25(22)34-4/h5-12,15-17H,13-14H2,1-4H3
Definition date:	2023-08-10
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide

K6U

K6U
Name:	(2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole
Formula:	C9 H8 N2 O2
SMILES:	COc1ccccc1c1nnco1
InChi:	InChI=1S/C9H8N2O2/c1-12-8-5-3-2-4-7(8)9-11-10-6-13-9/h2-6H,1H3
Definition date:	2023-08-10
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	(2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole

C74

C74
Name:	4-[5-[3-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
Formula:	C16 H15 N4 O4 S
SMILES:	O=[S+](=O)Oc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23
InChi:	InChI=1S/C16H15N4O4S/c21-25(22)24-12-3-1-2-11(8-12)13-9-17-15-14(13)16(19-10-18-15)20-4-6-23-7-5-20/h1-3,8-10H,4-7H2,(H,17,18,19)/q+1
Definition date:	2023-05-23
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	4-[5-[3-[bis(oxidanylidene)-$l^{5}-sulfanyl]oxyphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine

SY6

SY6
Name:	N-[(6-cyanopyridin-3-yl)methyl]-5-oxidanyl-2-[(3R)-3-oxidanylpyrrolidin-1-yl]-1,7-naphthyridine-6-carboxamide
Formula:	C20 H18 N6 O3
SMILES:	O[CH]1CCN(C1)c2ccc3c(O)c(ncc3n2)C(=O)NCc4ccc(nc4)C#N
InChi:	InChI=1S/C20H18N6O3/c21-7-13-2-1-12(8-22-13)9-24-20(29)18-19(28)15-3-4-17(25-16(15)10-23-18)26-6-5-14(27)11-26/h1-4,8,10,14,27-28H,5-6,9,11H2,(H,24,29)/t14-/m1/s1
Definition date:	2023-04-18
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	~{N}-[(6-cyanopyridin-3-yl)methyl]-5-oxidanyl-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,7-naphthyridine-6-carboxamide

SZO

SZO
Name:	5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one
Formula:	C22 H18 N2 O4
SMILES:	Cc1c(ccc2N=CN(C(=O)c12)c3ccccc3)C(=O)C4=C(O)CCCC4=O
InChi:	InChI=1S/C22H18N2O4/c1-13-15(21(27)20-17(25)8-5-9-18(20)26)10-11-16-19(13)22(28)24(12-23-16)14-6-3-2-4-7-14/h2-4,6-7,10-12,25H,5,8-9H2,1H3
Definition date:	2023-04-19
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one

XIU

XIU
Name:	2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide
Formula:	C24 H19 Cl N6 O
SMILES:	Clc1cccc(CN(C(=O)Cn2nnc3ccccc23)c4ccc(cc4)c5[nH]cnc5)c1
InChi:	InChI=1S/C24H19ClN6O/c25-19-5-3-4-17(12-19)14-30(20-10-8-18(9-11-20)22-13-26-16-27-22)24(32)15-31-23-7-2-1-6-21(23)28-29-31/h1-13,16H,14-15H2,(H,26,27)
Synonyms:	CCF0058981
Definition date:	2023-11-03
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide

Y5F

Y5F
Name:	2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide
Formula:	C13 H7 Cl N4 O3
SMILES:	O=C(Nc1cc(cnc1)C#N)c1cc(ccc1Cl)[N+]([O-])=O
InChi:	InChI=1S/C13H7ClN4O3/c14-12-2-1-10(18(20)21)4-11(12)13(19)17-9-3-8(5-15)6-16-7-9/h1-4,6-7H,(H,17,19)
Definition date:	2023-01-05
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide

Y5O

Y5O
Name:	2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide
Formula:	C13 H7 Cl N4 O3
SMILES:	N#Cc1ccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)cn1
InChi:	InChI=1S/C13H7ClN4O3/c14-12-4-3-10(18(20)21)5-11(12)13(19)17-9-2-1-8(6-15)16-7-9/h1-5,7H,(H,17,19)
Definition date:	2023-01-05
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide

Y5T

Y5T
Name:	2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide
Formula:	C13 H10 Cl N3 O3
SMILES:	Cc1cc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)ccn1
InChi:	InChI=1S/C13H10ClN3O3/c1-8-6-9(4-5-15-8)16-13(18)11-7-10(17(19)20)2-3-12(11)14/h2-7H,1H3,(H,15,16,18)
Definition date:	2023-01-05
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide

Y5X

Y5X
Name:	2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide
Formula:	C12 H7 Cl F N3 O3
SMILES:	O=C(Nc1cc(F)cnc1)c1cc(ccc1Cl)[N+]([O-])=O
InChi:	InChI=1S/C12H7ClFN3O3/c13-11-2-1-9(17(19)20)4-10(11)12(18)16-8-3-7(14)5-15-6-8/h1-6H,(H,16,18)
Definition date:	2023-01-05
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide

TKC

TKC
Name:	(2~{R})-5-[[[[(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid
Formula:	C15 H23 N6 O16 P3
SMILES:	N[CH](CCC(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
InChi:	InChI=1S/C15H23N6O16P3/c16-6(15(25)26)1-2-8(22)35-39(29,30)37-40(31,32)36-38(27,28)33-3-7-10(23)11(24)14(34-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-7,10-11,14,23-24H,1-3,16H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H2,17,18,19)/t6-,7-,10-,11+,14-/m1/s1
Definition date:	2023-04-26
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	(2~{R})-5-[[[[(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid

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219869

건을2024-05-15부터공개중

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