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O4W

O4W
Name:	5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one
Formula:	C23 H22 Cl N5 O3
SMILES:	Cn1cc(cn1)C(=O)N2CC(C2)Oc3cncc(c3)N4C(=O)c5ccc(Cl)cc5C4(C)C
InChi:	InChI=1S/C23H22ClN5O3/c1-23(2)20-6-15(24)4-5-19(20)22(31)29(23)16-7-17(10-25-9-16)32-18-12-28(13-18)21(30)14-8-26-27(3)11-14/h4-11,18H,12-13H2,1-3H3
Definition date:	2020-02-03
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one

ODZ

ODZ
Name:	2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide
Formula:	C14 H17 N O4
SMILES:	C[C](CC(O)=C)(NC(=O)Cc1ccc(O)cc1)C=O
InChi:	InChI=1S/C14H17NO4/c1-10(17)8-14(2,9-16)15-13(19)7-11-3-5-12(18)6-4-11/h3-6,9,17-18H,1,7-8H2,2H3,(H,15,19)/t14-/m0/s1
Definition date:	2020-02-28
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide

OEE

OEE
Name:	~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate
Formula:	C11 H19 N O4
SMILES:	CC(C)(C)OC(=O)N[C](C)(CC(O)=C)C=O
InChi:	InChI=1S/C11H19NO4/c1-8(14)6-11(5,7-13)12-9(15)16-10(2,3)4/h7,14H,1,6H2,2-5H3,(H,12,15)/t11-/m0/s1
Definition date:	2020-02-28
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate

OZK

OZK
Name:	3-azanyl-3-methyl-~{N}-[(3~{R})-4-oxidanylidene-5-[[4-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide
Formula:	C28 H29 N7 O3
SMILES:	CC(C)(N)CC(=O)N[CH]1COc2ccccc2N(Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C1=O
InChi:	InChI=1S/C28H29N7O3/c1-28(2,29)15-25(36)30-22-17-38-24-10-6-5-9-23(24)35(27(22)37)16-18-11-13-19(14-12-18)20-7-3-4-8-21(20)26-31-33-34-32-26/h3-14,22H,15-17,29H2,1-2H3,(H,30,36)(H,31,32,33,34)/t22-/m1/s1
Definition date:	2020-04-12
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	3-azanyl-3-methyl-~{N}-[(3~{R})-4-oxidanylidene-5-[[4-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide

OZQ

OZQ
Name:	5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid
Formula:	C22 H23 N O5 S
SMILES:	CCc1cccc(CC)c1N[S](=O)(=O)c2ccc(cc2C)c3occ(c3)C(O)=O
InChi:	InChI=1S/C22H23NO5S/c1-4-15-7-6-8-16(5-2)21(15)23-29(26,27)20-10-9-17(11-14(20)3)19-12-18(13-28-19)22(24)25/h6-13,23H,4-5H2,1-3H3,(H,24,25)
Definition date:	2020-04-12
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid

P1K

P1K
Name:	phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid
Formula:	C6 H11 B F3 N4 O7 P S
SMILES:	OB(Cn1cc(CN[S](=O)(=O)CC(F)(F)F)nn1)O[P](O)(O)=O
InChi:	InChI=1S/C6H11BF3N4O7PS/c8-6(9,10)3-23(19,20)11-1-5-2-14(13-12-5)4-7(15)21-22(16,17)18/h2,11,15H,1,3-4H2,(H2,16,17,18)
Definition date:	2019-08-16
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid

P3H

P3H
Name:	[(2~{R})-1-nonanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z})-heptadeca-5,8-dienoate
Formula:	C35 H63 O13 P
SMILES:	CCCCCCCCC=CCC=CCCCC(=O)O[CH](COC(=O)CCCCCCCC)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C35H63O13P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-29(37)47-27(25-45-28(36)23-21-19-10-8-6-4-2)26-46-49(43,44)48-35-33(41)31(39)30(38)32(40)34(35)42/h14-15,17-18,27,30-35,38-42H,3-13,16,19-26H2,1-2H3,(H,43,44)/b15-14-,18-17-/t27-,30-,31-,32+,33-,34-,35-/m1/s1
Definition date:	2019-09-20
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	[(2~{R})-1-nonanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z})-heptadeca-5,8-dienoate

P3V

P3V
Name:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate
Formula:	C27 H37 N3 O8 S
SMILES:	Nc1ccc(cc1)S(=O)(=O)N(CC(C(Cc2ccccc2)NC(=O)OC3C4C(OC3)OCC4)(O)O)CC(C)C
InChi:	InChI=1S/C27H37N3O8S/c1-18(2)15-30(39(34,35)21-10-8-20(28)9-11-21)17-27(32,33)24(14-19-6-4-3-5-7-19)29-26(31)38-23-16-37-25-22(23)12-13-36-25/h3-11,18,22-25,32-33H,12-17,28H2,1-2H3,(H,29,31)/t22-,23-,24-,25+/m0/s1
Definition date:	2019-07-25
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate

PKV

PKV
Name:	[4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
Formula:	C11 H16 B N4 O7 P S
SMILES:	Cc1ccc(cc1)[S](=O)(=O)NCc2cn(CB(O)O[P](O)(O)=O)nn2
InChi:	InChI=1S/C11H16BN4O7PS/c1-9-2-4-11(5-3-9)25(21,22)13-6-10-7-16(15-14-10)8-12(17)23-24(18,19)20/h2-5,7,13,17H,6,8H2,1H3,(H2,18,19,20)
Definition date:	2019-08-16
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	[4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid

PKY

PKY
Name:	[4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
Formula:	C10 H12 B N4 O6 P
SMILES:	NC(=O)c1cccc(c1)c2cn(CB(O)O[P](O)(O)=O)nn2
InChi:	InChI=1S/C10H12BN4O6P/c12-10(16)8-3-1-2-7(4-8)9-5-15(14-13-9)6-11(17)21-22(18,19)20/h1-5,17H,6H2,(H2,12,16)(H2,18,19,20)
Definition date:	2019-08-16
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	[4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid

FHX

FHX
Name:	3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile
Formula:	C16 H18 N6 O
SMILES:	C[CH]1CN(C(=O)CC#N)[C]12CCN(C2)c3ncnc4[nH]ccc34
InChi:	InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1
Definition date:	2020-05-14
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	3-[(3~{S},4~{R})-3-methyl-7-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile

E7L

E7L
Name:	S-(2-acetamidoethyl) (2R)-2-azanyl-4-methyl-pentanethioate
Formula:	C10 H20 N2 O2 S
SMILES:	CC(C)C[CH](N)C(=O)SCCNC(C)=O
InChi:	InChI=1S/C10H20N2O2S/c1-7(2)6-9(11)10(14)15-5-4-12-8(3)13/h7,9H,4-6,11H2,1-3H3,(H,12,13)/t9-/m1/s1
Definition date:	2019-11-11
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	~{S}-(2-acetamidoethyl) (2~{R})-2-azanyl-4-methyl-pentanethioate

KAS

KAS
Name:	3-(1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazol-4-yl)benzoic acid
Formula:	C10 H11 B N3 O7 P
SMILES:	OC(c1cccc(c1)c2cn(CB(OP(=O)(O)O)O)nn2)=O
InChi:	InChI=1S/C10H11BN3O7P/c15-10(16)8-3-1-2-7(4-8)9-5-14(13-12-9)6-11(17)21-22(18,19)20/h1-5,17H,6H2,(H,15,16)(H2,18,19,20)
Definition date:	2019-08-16
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	3-(1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazol-4-yl)benzoic acid

KFS

KFS
Name:	[4-(4-cyano-3-methylphenoxy)phenyl]acetic acid
Formula:	C16 H13 N O3
SMILES:	c2c(Oc1cc(c(cc1)C#N)C)ccc(CC(O)=O)c2
InChi:	InChI=1S/C16H13NO3/c1-11-8-15(7-4-13(11)10-17)20-14-5-2-12(3-6-14)9-16(18)19/h2-8H,9H2,1H3,(H,18,19)
Definition date:	2018-12-03
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	[4-(4-cyano-3-methylphenoxy)phenyl]acetic acid

LMK

LMK
Name:	trimethyl-[(2~{R})-1-oxidanyl-1-oxidanylidene-4-[(2~{S})-2-[(1~{S})-1-oxidanyloctadecoxy]-3-[(1~{R})-1-oxidanyloctadecoxy]propoxy]butan-2-yl]azanium
Formula:	C46 H94 N O7
SMILES:	CCCCCCCCCCCCCCCCC[CH](O)OC[CH](COCC[CH](C(O)=O)[N+](C)(C)C)O[CH](O)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C46H93NO7/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-44(48)53-41-42(40-52-39-38-43(46(50)51)47(3,4)5)54-45(49)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42-45,48-49H,6-41H2,1-5H3/p+1/t42-,43+,44+,45-/m0/s1
Definition date:	2019-08-27
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	trimethyl-[(2~{R})-1-oxidanyl-1-oxidanylidene-4-[(2~{S})-2-[(1~{S})-1-oxidanyloctadecoxy]-3-[(1~{R})-1-oxidanyloctadecoxy]propoxy]butan-2-yl]azanium

D4R

D4R
Name:	(4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Formula:	C19 H21 N O3
SMILES:	COC1=CC=C2[CH]3Cc4ccc(OC)c5O[CH]1[C]2(CCN3C)c45
InChi:	InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1
Synonyms:	Thebaine
Definition date:	2019-06-27
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	(4~{R},7~{a}~{R},12~{b}~{S})-7,9-dimethoxy-3-methyl-2,4,7~{a},13-tetrahydro-1~{H}-4,12-methanobenzofuro[3,2-e]isoquinoline

EQL

EQL
Name:	1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid
Formula:	C14 H7 N O6
SMILES:	OC(=O)c1ccc2C(=O)NC(=O)c3ccc(C(O)=O)c1c23
InChi:	InChI=1S/C14H7NO6/c16-11-5-1-3-7(13(18)19)10-8(14(20)21)4-2-6(9(5)10)12(17)15-11/h1-4H,(H,18,19)(H,20,21)(H,15,16,17)
Definition date:	2020-01-21
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid

EQR

EQR
Name:	3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid
Formula:	C14 H12 N4 O5
SMILES:	OC(=O)CCC1=NN2c3ccccc3N(CC(O)=O)C2=NC1=O
InChi:	InChI=1S/C14H12N4O5/c19-11(20)6-5-8-13(23)15-14-17(7-12(21)22)9-3-1-2-4-10(9)18(14)16-8/h1-4H,5-7H2,(H,19,20)(H,21,22)
Definition date:	2020-01-21
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid

EQX

EQX
Name:	4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid
Formula:	C14 H14 N6 O3
SMILES:	Cc1nn2c(NNC(=O)CCC(O)=O)nc3ccccc3c2n1
InChi:	InChI=1S/C14H14N6O3/c1-8-15-13-9-4-2-3-5-10(9)16-14(20(13)19-8)18-17-11(21)6-7-12(22)23/h2-5H,6-7H2,1H3,(H,16,18)(H,17,21)(H,22,23)
Definition date:	2020-01-21
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid

ER6

ER6
Name:	(3R)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid
Formula:	C17 H17 N3 O2
SMILES:	OC(=O)[CH]1CCCN(C1)c2nc3ccccc3n4cccc24
InChi:	InChI=1S/C17H17N3O2/c21-17(22)12-5-3-9-19(11-12)16-15-8-4-10-20(15)14-7-2-1-6-13(14)18-16/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,21,22)/t12-/m1/s1
Definition date:	2020-01-21
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	(3~{R})-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid

ER9

ER9
Name:	3-[[5-(1,2,4-triazol-4-yl)-4H-1,2,4-triazol-3-yl]carbonylamino]benzoic acid
Formula:	C12 H9 N7 O3
SMILES:	OC(=O)c1cccc(NC(=O)c2[nH]c(nn2)n3cnnc3)c1
InChi:	InChI=1S/C12H9N7O3/c20-10(15-8-3-1-2-7(4-8)11(21)22)9-16-12(18-17-9)19-5-13-14-6-19/h1-6H,(H,15,20)(H,21,22)(H,16,17,18)
Definition date:	2020-01-21
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	3-[[5-(1,2,4-triazol-4-yl)-4~{H}-1,2,4-triazol-3-yl]carbonylamino]benzoic acid

ERF

ERF
Name:	phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid
Formula:	C7 H9 B N3 O5 P S
SMILES:	OB(Cn1cc(nn1)c2cscc2)O[P](O)(O)=O
InChi:	InChI=1S/C7H9BN3O5PS/c12-8(16-17(13,14)15)5-11-3-7(9-10-11)6-1-2-18-4-6/h1-4,12H,5H2,(H2,13,14,15)
Definition date:	2019-08-16
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid

RE8

RE8
Name:	4-[(E)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
Formula:	C20 H14 N2 O4 S
SMILES:	O=S(=O)(O)c4ccc(/N=N/c2c1ccccc1ccc2O)c3ccccc34
InChi:	InChI=1S/C20H14N2O4S/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17/h1-12,23H,(H,24,25,26)/b22-21+
Synonyms:	Acid red 88
Definition date:	2013-03-13
Last modified:	2020-06-17
Release date:	2014-02-12
Identifier:	4-[(E)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid

ZC0

ZC0
Name:	Contezolid
Formula:	C18 H15 F3 N4 O4
SMILES:	C1C(C=CN(C1)c2c(F)cc(c(c2F)F)N3CC(OC3=O)CNc4ccon4)=O
InChi:	InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1
Synonyms:	MRX-I
Definition date:	2020-04-29
Last modified:	2020-06-17
Release date:	2020-06-03
Identifier:	1-{2,3,6-trifluoro-4-[(5S)-5-{[(1,2-oxazol-3-yl)amino]methyl}-2-oxo-1,3-oxazolidin-3-yl]phenyl}-2,3-dihydropyridin-4(1H)-one

UMO

UMO
Name:	2'-F-4'-OMe U
Formula:	C10 H14 F N2 O9 P
SMILES:	C2(N1C(NC(=O)C=C1)=O)C(F)C(C(OC)(O2)COP(O)(=O)O)O
InChi:	InChI=1S/C10H14FN2O9P/c1-20-10(4-21-23(17,18)19)7(15)6(11)8(22-10)13-3-2-5(14)12-9(13)16/h2-3,6-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t6-,7+,8-,10-/m1/s1
Synonyms:	[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-2-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Definition date:	2017-05-18
Last modified:	2020-06-17
Release date:	2017-10-04
Identifier:	[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-2-methoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)

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