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BRV

BRV
Name:	5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid
Formula:	C8 H4 Br3 N O4
SMILES:	Brc1c(c(Br)c(C(=O)O)c(Br)c1N)C(=O)O
InChi:	InChI=1S/C8H4Br3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)
Synonyms:	5-Amino-2,4,6-tribromoisophthalic acid
Definition date:	2009-03-30
Last modified:	2020-06-17
Identifier:	5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid

BZN

BZN
Name:	N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide
Formula:	C23 H32 N2 O3 S
SMILES:	O=S(=O)(c1ccccc1)N(CC(C)C)CC3CNCC3COCc2ccccc2
InChi:	InChI=1S/C23H32N2O3S/c1-19(2)15-25(29(26,27)23-11-7-4-8-12-23)16-21-13-24-14-22(21)18-28-17-20-9-5-3-6-10-20/h3-12,19,21-22,24H,13-18H2,1-2H3/t21-,22-/m1/s1
Synonyms:	N-((3R,4R)-4-Benzyloxymethyl-pyrrolidin-3-ylmethyl)-N-isobutyl-benzene sulfonamide
Definition date:	2007-12-05
Last modified:	2020-06-17
Identifier:	N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide

BZQ

BZQ
Name:	DIPHENYLMETHANONE
Formula:	C13 H10 O
SMILES:	O=C(c1ccccc1)c2ccccc2
InChi:	InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
Synonyms:	BENZENE, BENZOYL-
Definition date:	2000-03-08
Last modified:	2020-06-17
Identifier:	diphenylmethanone

C1A

C1A
Name:	(2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate)
Formula:	C14 H22 N8 S2
SMILES:	S(C(=[N@H])NC(=[N@H])N)Cc1cc(c(cc1C)CSC(=[N@H])NC(=[N@H])N)C
InChi:	InChI=1S/C14H22N8S2/c1-7-3-10(6-24-14(20)22-12(17)18)8(2)4-9(7)5-23-13(19)21-11(15)16/h3-4H,5-6H2,1-2H3,(H5,15,16,19,21)(H5,17,18,20,22)
Synonyms:	4-({[(E)-{[(E)-AMINO(IMINO)METHYL]AMINO}(IMINO)METHYL]SULFANYL}METHYL)-2,5-DIMETHYLBENZYL N-[(E)-AMINO(IMINO)METHYL]IMIDOTHIOCARBAMATE
Definition date:	2005-08-31
Last modified:	2020-06-17
Identifier:	(2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate)

JD7

JD7
Name:	4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile
Formula:	C14 H13 N3
SMILES:	C1Cc3n(C(C1)c2ccc(cc2)C#N)cnc3
InChi:	InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m0/s1
Synonyms:	fadrozole
Definition date:	2018-08-30
Last modified:	2020-06-17
Release date:	2018-11-21
Identifier:	4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile

JDR

JDR
Name:	4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide
Formula:	C13 H13 Cl N4 O3 S2
SMILES:	O=S(=O)(N)c1ccc(cc1)CNc2nc(SC)nc(Cl)c2C=O
InChi:	InChI=1S/C13H13ClN4O3S2/c1-22-13-17-11(14)10(7-19)12(18-13)16-6-8-2-4-9(5-3-8)23(15,20)21/h2-5,7H,6H2,1H3,(H2,15,20,21)(H,16,17,18)
Synonyms:	4-{[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]methyl}benzenesulfonamide
Definition date:	2010-03-29
Last modified:	2020-06-17
Identifier:	4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide

83A

83A
Name:	N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid
Formula:	C20 H22 N6 O6
SMILES:	c31c(N=C(NC1=O)N)nc(CCNc2ccc(C(=O)NC(C(=O)O)CCC(O)=O)cc2)c3
InChi:	InChI=1S/C20H22N6O6/c21-20-25-16-13(18(30)26-20)9-12(23-16)7-8-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,9,14,22H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30)/t14-/m0/s1
Synonyms:	antifolate AGF183
Definition date:	2016-03-28
Last modified:	2020-06-17
Release date:	2016-08-10
Identifier:	N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid

86B

86B
Name:	4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide
Formula:	C12 H20 N2 O4 S
SMILES:	c1(S(=O)(=O)N)ccc(cc1)OCC(CNC(C)C)O
InChi:	InChI=1S/C12H20N2O4S/c1-9(2)14-7-10(15)8-18-11-3-5-12(6-4-11)19(13,16)17/h3-6,9-10,14-15H,7-8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
Synonyms:	aryloxy-2-hydroxypropylammine sulfonamide
Definition date:	2017-08-02
Last modified:	2020-06-17
Release date:	2018-08-01
Identifier:	4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide

8O7

8O7
Name:	N-(2-aminoethyl)-4'-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-sulfonami de
Formula:	C22 H24 N4 O3 S2
SMILES:	C(N)CNS(=O)(c1ccc(cc1)c2ccc(cc2)CSC4=NC=3CCCC=3C(N4)=O)=O
InChi:	InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27)
Synonyms:	N-(2-aminoethyl)-4'-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}[1,1'-biphenyl]-4-sulfon amide
Definition date:	2017-02-22
Last modified:	2020-06-17
Release date:	2017-07-12
Identifier:	N-(2-aminoethyl)-4'-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}[1,1'-biphenyl]-4-sulfonamide

POT

POT
Name:	(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE
Formula:	C11 H16 Cl O3 P
SMILES:	ClP(=O)(OC(COc1ccccc1)CC)C
InChi:	InChI=1S/C11H16ClO3P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-,16+/m0/s1
Synonyms:	(RP,SP)-O-(2S)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE
Definition date:	2006-11-20
Last modified:	2020-06-17
Identifier:	(1S)-1-(phenoxymethyl)propyl (R)-methylphosphonochloridoate

PR1

PR1
Name:	4-HYDROXY-3-[2-OXO-3-(THIENO[3,2-B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-1-YLMETHYL]-BENZAMIDINE
Formula:	C19 H19 N5 O4 S2
SMILES:	O=C2N(Cc1cc(C(=[N@H])N)ccc1O)CCC2NS(=O)(=O)c4sc3cccnc3c4
InChi:	InChI=1S/C19H19N5O4S2/c20-18(21)11-3-4-15(25)12(8-11)10-24-7-5-13(19(24)26)23-30(27,28)17-9-14-16(29-17)2-1-6-22-14/h1-4,6,8-9,13,23,25H,5,7,10H2,(H3,20,21)/t13-/m0/s1
Synonyms:	RPR131247
Definition date:	2000-05-22
Last modified:	2020-06-17
Identifier:	4-hydroxy-3-({(3S)-2-oxo-3-[(thieno[3,2-b]pyridin-2-ylsulfonyl)amino]pyrrolidin-1-yl}methyl)benzenecarboximidamide

PVS

PVS
Name:	(ethenylsulfonyl)benzene
Formula:	C8 H8 O2 S
SMILES:	ethenyl phenyl sulfone
InChi:	InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2
Synonyms:	Phenyl Vinyl Sulphone
Definition date:	2008-07-15
Last modified:	2020-06-17
Identifier:	(ethenylsulfonyl)benzene

PXD

PXD
Name:	2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
Formula:	C16 H14 F5 N5 O5 S
SMILES:	FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(OC)cnc(OC)n3n2
InChi:	InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)
Synonyms:	Penoxsulam
Definition date:	2014-06-05
Last modified:	2020-06-17
Release date:	2018-02-14
Identifier:	2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide

DAI

DAI
Name:	(3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-3A,4,9,9A-TETRAHYDRO-4,9[1',2']-BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-DIONE
Formula:	C24 H25 N O3
SMILES:	O=C1N(C(=O)C5C1C4c2c(cccc2)C5(c3ccccc34)CO)CCCCC
InChi:	InChI=1S/C24H25NO3/c1-2-3-8-13-25-22(27)20-19-15-9-4-6-11-17(15)24(14-26,21(20)23(25)28)18-12-7-5-10-16(18)19/h4-7,9-12,19-21,26H,2-3,8,13-14H2,1H3/t19-,20-,21+,24+/m0/s1
Synonyms:	(11S,12S)-9-HYDROXYMETHYL-11,12-(2-PENTYL-1,3-DIOXO-2-AZAPROPANO)-9,10-DIHYDRO-9,10-ETHANOANTHRACENE
Definition date:	2005-02-11
Last modified:	2020-06-17
Identifier:	(15S,19S)-1-(hydroxymethyl)-17-pentyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)

DIF

DIF
Name:	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID
Formula:	C14 H11 Cl2 N O2
SMILES:	Clc2cccc(Cl)c2Nc1ccccc1CC(=O)O
InChi:	InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
Synonyms:	DICLOFENAC
Definition date:	2000-01-28
Last modified:	2020-06-17
Identifier:	{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid

QV7

QV7
Name:	3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid
Formula:	C22 H16 N4 O13 S4
SMILES:	O=S(=O)(O)c4ccc(/N=N/c3ccc(/N=N/c2c1c(cc(cc1)S(=O)(=O)O)cc(c2O)S(=O)(=O)O)c(c3)S(=O)(=O)O)cc4
InChi:	InChI=1S/C22H16N4O13S4/c27-22-20(43(37,38)39)10-12-9-16(41(31,32)33)6-7-17(12)21(22)26-25-18-8-3-14(11-19(18)42(34,35)36)24-23-13-1-4-15(5-2-13)40(28,29)30/h1-11,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)/b24-23+,26-25+
Synonyms:	Ponceau S
Definition date:	2011-03-01
Last modified:	2020-06-17
Identifier:	3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid

ISZ

ISZ
Name:	4-(DIAZENYLCARBONYL)PYRIDINE
Formula:	C6 H5 N3 O
SMILES:	O=C(N=[N@H])c1ccncc1
InChi:	InChI=1S/C6H5N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4,7H/b9-7+
Synonyms:	ISONIAZID
Definition date:	2004-08-17
Last modified:	2020-06-17
Identifier:	4-[(E)-diazenylcarbonyl]pyridine

RCO

RCO
Name:	RESORCINOL
Formula:	C6 H6 O2
SMILES:	Oc1cccc(O)c1
InChi:	InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
Synonyms:	1,3-BENZENEDIOL
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	benzene-1,3-diol

RE2

RE2
Name:	5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol
Formula:	C14 H14 O3
SMILES:	Oc1cc(cc(O)c1)CCc2ccc(O)cc2
InChi:	InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2
Synonyms:	Dihydroresveratrol
Definition date:	2009-01-19
Last modified:	2020-06-17
Identifier:	5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol

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

RNA

RNA
Name:	4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE
Formula:	C16 H14 N2 O4 S2
SMILES:	O=C1N=C(S/C1=Cc2oc(cc2)C)NS(=O)(=O)c3ccc(cc3)C
InChi:	InChI=1S/C16H14N2O4S2/c1-10-3-7-13(8-4-10)24(20,21)18-16-17-15(19)14(23-16)9-12-6-5-11(2)22-12/h3-9H,1-2H3,(H,17,18,19)/b14-9-
Synonyms:	(Z)-4-METHYL-N-(5-((5-METHYLFURAN-2-YL)METHYLENE)-4-OXO-4,5-DIHYDROTHIAZOL-2-YL)BENZENESULFONAMIDE
Definition date:	2006-08-02
Last modified:	2020-06-17
Identifier:	4-methyl-N-{(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide

RO8

RO8
Name:	N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide
Formula:	C10 H7 Br Cl N3 O3 S2
SMILES:	BrC=2S/C(=NC(=O)NS(=O)(=O)c1cccc(Cl)c1)NC=2
InChi:	InChI=1S/C10H7BrClN3O3S2/c11-8-5-13-10(19-8)14-9(16)15-20(17,18)7-3-1-2-6(12)4-7/h1-5H,(H2,13,14,15,16)
Synonyms:	RO5062408
Definition date:	2011-01-17
Last modified:	2020-06-17
Identifier:	N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide

UUJ

UUJ
Name:	5-bromo-2-hydroxybenzonitrile
Formula:	C7 H4 Br N O
SMILES:	c1(cc(c(cc1)O)C#N)Br
InChi:	InChI=1S/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-bromo-2-hydroxybenzonitrile

LCB

LCB
Name:	4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide
Formula:	C13 H14 N6 O2 S
SMILES:	CCc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nc3nc[nH]c13
InChi:	InChI=1S/C13H14N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h3-7H,2H2,1H3,(H2,14,20,21)(H2,15,16,17,18,19)
Definition date:	2019-08-05
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide

LD5

LD5
Name:	4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide
Formula:	C13 H12 N6 O2 S
SMILES:	N[S](=O)(=O)c1ccc(Nc2nc(C=C)c3[nH]cnc3n2)cc1
InChi:	InChI=1S/C13H12N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h2-7H,1H2,(H2,14,20,21)(H2,15,16,17,18,19)
Definition date:	2019-08-05
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide

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