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R7Q

R7Q
Name:	2-methyl-1-(4-methylphenyl)propan-1-one
Formula:	C11 H14 O
SMILES:	CC(C)C(=O)c1ccc(C)cc1
InChi:	InChI=1S/C11H14O/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3
Synonyms:	2,4'-Dimethylpropiophenone
Definition date:	2020-09-17
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	2-methyl-1-(4-methylphenyl)propan-1-one

QTW

QTW
Name:	[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[(~{E})-phenylcarbonyliminomethyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
Formula:	C25 H38 N6 O8 S
SMILES:	CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(CNC(=O)c3ccccc3)nn2)[CH](O)[CH]1O
InChi:	InChI=1S/C25H38N6O8S/c1-16(2)11-20(26)25(35)29-40(36,37)39-15-21-23(33)22(32)18(14-38-21)9-6-10-31-13-19(28-30-31)12-27-24(34)17-7-4-3-5-8-17/h3-5,7-8,13,16,18,20-23,32-33H,6,9-12,14-15,26H2,1-2H3,(H,27,34)(H,29,35)/t18-,20+,21-,22+,23-/m1/s1
Definition date:	2020-08-10
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	[(2~{R},3~{S},4~{S},5~{R})-5-[3-[4-(benzamidomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate

RMZ

RMZ
Name:	(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
Formula:	C22 H27 N3 O
SMILES:	Cc1ccc(cc1C)N2CCN(CC[CH]3NC(=O)c4ccccc34)CC2
InChi:	InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m0/s1
Synonyms:	3-(2-(4-(3,4-Dimethylphenyl)piperazin-1-yl)ethyl)isoindolin-1-one
Definition date:	2020-10-09
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one

S1W

S1W
Name:	3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol
Formula:	C18 H18 N4 O2
SMILES:	CN(C)c1cccc(Oc2cnc(Nc3cccc(O)c3)nc2)c1
InChi:	InChI=1S/C18H18N4O2/c1-22(2)14-6-4-8-16(10-14)24-17-11-19-18(20-12-17)21-13-5-3-7-15(23)9-13/h3-12,23H,1-2H3,(H,19,20,21)
Definition date:	2020-11-06
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol

R9W

R9W
Name:	2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine
Formula:	C12 H16 N2
SMILES:	Nc1c2CCCCc2nc3CCCc13
InChi:	InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)
Definition date:	2020-09-21
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine

RNW

RNW
Name:	2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{N}-oxidanyl-ethanamide
Formula:	C15 H15 N O3 S
SMILES:	ONC(=O)C[S](=O)C(c1ccccc1)c2ccccc2
InChi:	InChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17)/t20-/m1/s1
Definition date:	2020-10-13
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	2-(diphenylmethyl)sulfinyl-~{N}-oxidanyl-ethanamide

VEG

VEG
Name:	ethyl N-[(2R)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate
Formula:	C25 H33 N3 O4
SMILES:	N(c1ccc(C(C)(C)C)cc1)(C(C(NCCC(OCC)=O)=O)c2cnccc2)C(=O)CC
InChi:	InChI=1S/C25H33N3O4/c1-6-21(29)28(20-12-10-19(11-13-20)25(3,4)5)23(18-9-8-15-26-17-18)24(31)27-16-14-22(30)32-7-2/h8-13,15,17,23H,6-7,14,16H2,1-5H3,(H,27,31)/t23-/m1/s1
Definition date:	2020-08-05
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	ethyl N-[(2R)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate

VEJ

VEJ
Name:	N-(4-tert-butylphenyl)-N-[(1R)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Formula:	C24 H33 N3 O3
SMILES:	N(CCCOC)C(=O)C(N(c1ccc(cc1)C(C)(C)C)C(CC)=O)c2cnccc2
InChi:	InChI=1S/C24H33N3O3/c1-6-21(28)27(20-12-10-19(11-13-20)24(2,3)4)22(18-9-7-14-25-17-18)23(29)26-15-8-16-30-5/h7,9-14,17,22H,6,8,15-16H2,1-5H3,(H,26,29)/t22-/m1/s1
Definition date:	2020-08-05
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	N-(4-tert-butylphenyl)-N-[(1R)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide

VEM

VEM
Name:	N-(4-tert-butylphenyl)-N-[(1R)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Formula:	C23 H31 N3 O3
SMILES:	N(CCOC)C(=O)C(c1cccnc1)N(c2ccc(cc2)C(C)(C)C)C(=O)CC
InChi:	InChI=1S/C23H31N3O3/c1-6-20(27)26(19-11-9-18(10-12-19)23(2,3)4)21(17-8-7-13-24-16-17)22(28)25-14-15-29-5/h7-13,16,21H,6,14-15H2,1-5H3,(H,25,28)/t21-/m1/s1
Definition date:	2020-08-05
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	N-(4-tert-butylphenyl)-N-[(1R)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide

VEP

VEP
Name:	N-(4-tert-butylphenyl)-N-[(1R)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Formula:	C25 H33 N3 O3
SMILES:	N(C1CCOCC1)C(=O)C(c2cccnc2)N(c3ccc(cc3)C(C)(C)C)C(=O)CC
InChi:	InChI=1S/C25H33N3O3/c1-5-22(29)28(21-10-8-19(9-11-21)25(2,3)4)23(18-7-6-14-26-17-18)24(30)27-20-12-15-31-16-13-20/h6-11,14,17,20,23H,5,12-13,15-16H2,1-4H3,(H,27,30)/t23-/m1/s1
Definition date:	2020-08-05
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	N-(4-tert-butylphenyl)-N-[(1R)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide

VEV

VEV
Name:	N-(4-tert-butylphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Formula:	C21 H27 N3 O2
SMILES:	N(C)C(=O)C(c1cnccc1)N(c2ccc(cc2)C(C)(C)C)C(CC)=O
InChi:	InChI=1S/C21H27N3O2/c1-6-18(25)24(17-11-9-16(10-12-17)21(2,3)4)19(20(26)22-5)15-8-7-13-23-14-15/h7-14,19H,6H2,1-5H3,(H,22,26)/t19-/m1/s1
Definition date:	2020-08-05
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	N-(4-tert-butylphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide

VEY

VEY
Name:	N-(4-tert-butylphenyl)-N-[(1R)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Formula:	C22 H29 N3 O2
SMILES:	N(c1ccc(C(C)(C)C)cc1)(C(CC)=O)C(c2cccnc2)C(NCC)=O
InChi:	InChI=1S/C22H29N3O2/c1-6-19(26)25(18-12-10-17(11-13-18)22(3,4)5)20(21(27)24-7-2)16-9-8-14-23-15-16/h8-15,20H,6-7H2,1-5H3,(H,24,27)/t20-/m1/s1
Definition date:	2020-08-05
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	N-(4-tert-butylphenyl)-N-[(1R)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide

RQH

RQH
Name:	(1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one
Formula:	C15 H17 Cl N2 O2
SMILES:	CC(C)(C)C(=O)[CH](Oc1ccc(Cl)cc1)n2ccnc2
InChi:	InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3/t14-/m0/s1
Synonyms:	Climbazole
Definition date:	2020-10-20
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	(1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one

RQN

RQN
Name:	4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide
Formula:	C15 H13 F2 N O3
SMILES:	CCc1cc(O)c(Oc2ccc(cc2F)C(N)=O)cc1F
InChi:	InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20)
Definition date:	2020-10-20
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide

QY1

QY1
Name:	(2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid
Formula:	C23 H23 N O3
SMILES:	c1cccc2ccc(nc12)COc3ccc(cc3)C(C(=O)O)C4CCCC4
InChi:	InChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1
Definition date:	2020-01-14
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	(2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid

QY7

QY7
Name:	3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid
Formula:	C27 H34 Cl N O2 S
SMILES:	c1c2c(ccc1C(C)C)n(c(c2SC(C)(C)C)CC(C(O)=O)(C)C)Cc3ccc(cc3)Cl
InChi:	InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
Definition date:	2020-01-14
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid

RQZ

RQZ
Name:	3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide
Formula:	C17 H16 N4 O2
SMILES:	CCC(=O)Nc1cccc(c1)c2c[nH]c3ncc(cc23)C(N)=O
InChi:	InChI=1S/C17H16N4O2/c1-2-15(22)21-12-5-3-4-10(6-12)14-9-20-17-13(14)7-11(8-19-17)16(18)23/h3-9H,2H2,1H3,(H2,18,23)(H,19,20)(H,21,22)
Definition date:	2020-10-20
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide

QYQ

QYQ
Name:	~{N}-[(1~{S})-1-[4-[[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{N}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide
Formula:	C24 H27 Cl F3 N5 O4 S
SMILES:	CO[CH](C)c1n2nc(Cl)cc2ncc1Nc3ccc(cc3)[CH](N(C)C(=O)C4CC[S](=O)(=O)CC4)C(F)(F)F
InChi:	InChI=1S/C24H27ClF3N5O4S/c1-14(37-3)21-18(13-29-20-12-19(25)31-33(20)21)30-17-6-4-15(5-7-17)22(24(26,27)28)32(2)23(34)16-8-10-38(35,36)11-9-16/h4-7,12-14,16,22,30H,8-11H2,1-3H3/t14-,22-/m0/s1
Definition date:	2020-08-21
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	~{N}-[(1~{S})-1-[4-[[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{N}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide

V1M

V1M
Name:	methyl 5-[(4-methoxy-2-methylphenoxy)methyl]pyridine-2-carboxylate
Formula:	C16 H17 N O4
SMILES:	Cc1cc(OC)ccc1OCc2ccc(nc2)C(=O)OC
InChi:	InChI=1S/C16H17NO4/c1-11-8-13(19-2)5-7-15(11)21-10-12-4-6-14(17-9-12)16(18)20-3/h4-9H,10H2,1-3H3
Definition date:	2020-06-12
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	methyl 5-[(4-methoxy-2-methylphenoxy)methyl]pyridine-2-carboxylate

V2D

V2D
Name:	methyl 2-[(3-hydroxy-2-methylphenoxy)methyl]pyridine-3-carboxylate
Formula:	C15 H15 N O4
SMILES:	Cc1c(cccc1OCc2ncccc2C(OC)=O)O
InChi:	InChI=1S/C15H15NO4/c1-10-13(17)6-3-7-14(10)20-9-12-11(15(18)19-2)5-4-8-16-12/h3-8,17H,9H2,1-2H3
Definition date:	2020-06-18
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	methyl 2-[(3-hydroxy-2-methylphenoxy)methyl]pyridine-3-carboxylate

S7H

S7H
Name:	1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
Formula:	C12 H17 N3 O6
SMILES:	C[CH](O)CN1C(=O)N(C[CH]2CO2)C(=O)N(C[CH]3CO3)C1=O
InChi:	InChI=1S/C12H17N3O6/c1-7(16)2-13-10(17)14(3-8-5-20-8)12(19)15(11(13)18)4-9-6-21-9/h7-9,16H,2-6H2,1H3/t7-,8-,9+/m1/s1
Definition date:	2020-11-10
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione

OV8

OV8
Name:	[(2~{R},3~{S},4~{S},5~{R})-5-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
Formula:	C18 H34 N6 O7 S
SMILES:	CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(CN)nn2)[CH](O)[CH]1O
InChi:	InChI=1S/C18H34N6O7S/c1-11(2)6-14(20)18(27)22-32(28,29)31-10-15-17(26)16(25)12(9-30-15)4-3-5-24-8-13(7-19)21-23-24/h8,11-12,14-17,25-26H,3-7,9-10,19-20H2,1-2H3,(H,22,27)/t12-,14+,15-,16+,17-/m1/s1
Definition date:	2020-04-06
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	[(2~{R},3~{S},4~{S},5~{R})-5-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate

OVB

OVB
Name:	[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[4-(trifluoromethyloxy)phenyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
Formula:	C24 H34 F3 N5 O8 S
SMILES:	CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(nn2)c3ccc(OC(F)(F)F)cc3)[CH](O)[CH]1O
InChi:	InChI=1S/C24H34F3N5O8S/c1-14(2)10-18(28)23(35)30-41(36,37)39-13-20-22(34)21(33)16(12-38-20)4-3-9-32-11-19(29-31-32)15-5-7-17(8-6-15)40-24(25,26)27/h5-8,11,14,16,18,20-22,33-34H,3-4,9-10,12-13,28H2,1-2H3,(H,30,35)/t16-,18+,20-,21+,22-/m1/s1
Definition date:	2020-04-06
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[4-(trifluoromethyloxy)phenyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate

OVH

OVH
Name:	[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-(4-phenyl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
Formula:	C23 H35 N5 O7 S
SMILES:	CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(nn2)c3ccccc3)[CH](O)[CH]1O
InChi:	InChI=1S/C23H35N5O7S/c1-15(2)11-18(24)23(31)26-36(32,33)35-14-20-22(30)21(29)17(13-34-20)9-6-10-28-12-19(25-27-28)16-7-4-3-5-8-16/h3-5,7-8,12,15,17-18,20-22,29-30H,6,9-11,13-14,24H2,1-2H3,(H,26,31)/t17-,18+,20-,21+,22-/m1/s1
Definition date:	2020-04-06
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-(4-phenyl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate

OVK

OVK
Name:	[(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethyl]oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
Formula:	C20 H30 N6 O7 S
SMILES:	CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH](CCn2nnc(n2)c3ccccc3)[CH](O)[CH]1O
InChi:	InChI=1S/C20H30N6O7S/c1-12(2)10-14(21)20(29)24-34(30,31)32-11-16-18(28)17(27)15(33-16)8-9-26-23-19(22-25-26)13-6-4-3-5-7-13/h3-7,12,14-18,27-28H,8-11,21H2,1-2H3,(H,24,29)/t14-,15-,16+,17-,18+/m0/s1
Definition date:	2020-04-06
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	[(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethyl]oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate

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223790

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