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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

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

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

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

WK1

WK1
Name:	(2S)-3-[(2S,4E)-4-[[(1R,2S,4aR,6S,8R,8aS)-2-[(E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid
Formula:	C25 H35 N O6
SMILES:	CC=C(C)[CH]1C=C[CH]2C[CH](C)C[CH](C)[CH]2[CH]1C(O)=C3C(=O)N[CH](C[C](C)(O)C(O)=O)C3=O
InChi:	InChI=1S/C25H35NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6-8,12,14-19,28,32H,9-11H2,1-5H3,(H,26,29)(H,30,31)/b13-6+,22-20+/t12-,14+,15-,16+,17-,18-,19-,25-/m0/s1
Definition date:	2019-07-03
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	(2~{S})-3-[(2~{S},4~{E})-4-[[(1~{R},2~{S},4~{a}~{R},6~{S},8~{R},8~{a}~{S})-2-[(~{E})-but-2-en-2-yl]-6,8-dimethyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid

O4T

O4T
Name:	~{N}-[(1~{R})-1-[5-(6-chloranyl-1,1-dimethyl-3-oxidanylidene-isoindol-2-yl)pyridin-3-yl]ethyl]methanesulfonamide
Formula:	C18 H20 Cl N3 O3 S
SMILES:	C[CH](N[S](C)(=O)=O)c1cncc(c1)N2C(=O)c3ccc(Cl)cc3C2(C)C
InChi:	InChI=1S/C18H20ClN3O3S/c1-11(21-26(4,24)25)12-7-14(10-20-9-12)22-17(23)15-6-5-13(19)8-16(15)18(22,2)3/h5-11,21H,1-4H3/t11-/m1/s1
Definition date:	2020-02-03
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	~{N}-[(1~{R})-1-[5-(6-chloranyl-1,1-dimethyl-3-oxidanylidene-isoindol-2-yl)pyridin-3-yl]ethyl]methanesulfonamide

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

ODM

ODM
Name:	(3R)-3,7-dimethyloct-6-en-1-ol
Formula:	C10 H20 O
SMILES:	C/C(C)=C/CCC(C)CCO
InChi:	InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1
Synonyms:	citronellol
Definition date:	2019-06-21
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	(3R)-3,7-dimethyloct-6-en-1-ol

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

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

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

2BA

2BA
Name:	(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide
Formula:	C20 H24 N10 O12 P2
SMILES:	O=P5(OCC7OC(n1c2ncnc(N)c2nc1)C(O)C7OP(=O)(O)OCC6OC(n3c4ncnc(N)c4nc3)C(O)C6O5)O
InChi:	InChI=1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(31)13-7(39-19)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)32)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
Synonyms:	bis-(3',5')-cyclic-dimeric-Adenosine-monophosphate
Definition date:	2008-01-29
Last modified:	2020-06-17
Identifier:	(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide

HI6

HI6
Name:	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM
Formula:	C14 H16 N4 O3
SMILES:	O=C(N)c1cc[n+](cc1)COC[n+]2ccccc2C=NO
InChi:	InChI=1S/C14H14N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2
Synonyms:	1-(2-HYDROXY-IMINOMETHYLPYRIDINIUM)-1-(4-CARBOXYAMINO)-PYRIDINIUM DIMETHYLETHER
Definition date:	2006-05-15
Last modified:	2020-06-17
Identifier:	4-carbamoyl-1-[({2-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium

2BQ

2BQ
Name:	2-hydroxysaclofen
Formula:	C9 H12 Cl N O4 S
SMILES:	Clc1ccc(cc1)C(O)(CN)CS(=O)(=O)O
InChi:	InChI=1S/C9H12ClNO4S/c10-8-3-1-7(2-4-8)9(12,5-11)6-16(13,14)15/h1-4,12H,5-6,11H2,(H,13,14,15)/t9-/m0/s1
Synonyms:	(2S)-3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid
Definition date:	2013-09-19
Last modified:	2020-06-17
Release date:	2013-12-11
Identifier:	(2S)-3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid

2BR

2BR
Name:	2-BROMOPHENOL
Formula:	C6 H5 Br O
SMILES:	Brc1ccccc1O
InChi:	InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H
Synonyms:	BROMOPHENOL
Definition date:	2005-08-03
Last modified:	2020-06-17
Identifier:	2-bromophenol

2BW

2BW
Name:	(S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid
Formula:	C8 H20 N O4 P
SMILES:	O=P(O)(CCCN)C(OCC)OCC
InChi:	InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)
Synonyms:	CGP 35348
Definition date:	2013-09-19
Last modified:	2020-06-17
Release date:	2013-12-11
Identifier:	(S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid

2BY

2BY
Name:	phaclofen
Formula:	C9 H13 Cl N O3 P
SMILES:	Clc1ccc(cc1)C(CP(=O)(O)O)CN
InChi:	InChI=1S/C9H13ClNO3P/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H2,12,13,14)/t8-/m1/s1
Synonyms:	[(2R)-3-amino-2-(4-chlorophenyl)propyl]phosphonic acid
Definition date:	2013-09-19
Last modified:	2020-06-17
Release date:	2013-12-11
Identifier:	[(2R)-3-amino-2-(4-chlorophenyl)propyl]phosphonic acid

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