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Z89

Z89
Name:	(2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid
Formula:	C15 H9 Br N2 O6 S2
SMILES:	OC(=O)C[CH](N1C(=S)SC(C1=O)=C2C(=O)Nc3ccc(Br)cc23)C(O)=O
InChi:	InChI=1S/C15H9BrN2O6S2/c16-5-1-2-7-6(3-5)10(12(21)17-7)11-13(22)18(15(25)26-11)8(14(23)24)4-9(19)20/h1-3,8H,4H2,(H,17,21)(H,19,20)(H,23,24)/b11-10-/t8-/m1/s1
Synonyms:	N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE
Definition date:	2010-01-24
Last modified:	2020-06-17
Identifier:	(2R)-2-[(5Z)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

YBY

YBY
Name:	N-{[(1S)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-L-glutamic acid
Formula:	C15 H17 I N2 O8
SMILES:	Ic1cc(ccc1O)CC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O
InChi:	InChI=1S/C15H17IN2O8/c16-8-5-7(1-3-11(8)19)6-10(14(24)25)18-15(26)17-9(13(22)23)2-4-12(20)21/h1,3,5,9-10,19H,2,4,6H2,(H,20,21)(H,22,23)(H,24,25)(H2,17,18,26)/t9-,10-/m0/s1
Synonyms:	(S)-2-(3-((S)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl)ureido)pentanedioic acid
Definition date:	2008-06-05
Last modified:	2020-06-17
Identifier:	N-{[(1S)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-L-glutamic acid

VHS

VHS
Name:	3-[(1S)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-(1-PIPERIDIN-4-YLPYRAZOL-4-YL)PYRIDIN-2-AMINE
Formula:	C21 H22 Cl2 F N5 O
SMILES:	Clc1ccc(F)c(Cl)c1C(Oc4cc(c2cn(nc2)C3CCNCC3)cnc4N)C
InChi:	InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m0/s1
Synonyms:	S-CRIZOTINIB
Definition date:	2013-10-03
Last modified:	2020-06-17
Release date:	2014-04-02
Identifier:	3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine

Z90

Z90
Name:	4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid
Formula:	C36 H39 N O5
SMILES:	OC(=O)CCCCN(CCc1ccccc1OCc2ccc(CCc3ccccc3)cc2)Cc4ccc(cc4)C(O)=O
InChi:	InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41)
Synonyms:	4-((4-carboxybutyl)(2-((4-phenethylbenzol)oxy) phenethyl) amino)methyl(benzoic) acid)
Definition date:	2010-01-23
Last modified:	2020-06-17
Identifier:	4-[[(5-hydroxy-5-oxo-pentyl)-[2-[2-[(4-phenethylphenyl)methoxy]phenyl]ethyl]amino]methyl]benzoic acid

Z92

Z92
Name:	(4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one
Formula:	C17 H15 Cl N4 O3
SMILES:	COc1ccc(cc1OC)C2=NNC(=O)C2=NNc3ccc(Cl)cc3
InChi:	InChI=1S/C17H15ClN4O3/c1-24-13-8-3-10(9-14(13)25-2)15-16(17(23)22-20-15)21-19-12-6-4-11(18)5-7-12/h3-9,19H,1-2H3,(H,21,22,23)
Synonyms:	(4Z)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2H-pyrazol-3-one
Definition date:	2010-01-21
Last modified:	2020-06-17
Identifier:	(4E)-4-[(4-chlorophenyl)hydrazinylidene]-3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-one

Z93

Z93
Name:	2-{[(4R)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1H-isoindolium
Formula:	C24 H19 N4 O4
SMILES:	COc1ccc2C=[N+](C[C]3(NC(=O)NC3=O)c4ccc(cc4)c5cccnc5)C(=O)c2c1
InChi:	InChI=1S/C24H18N4O4/c1-32-19-9-6-17-13-28(21(29)20(17)11-19)14-24(22(30)26-23(31)27-24)18-7-4-15(5-8-18)16-3-2-10-25-12-16/h2-13H,14H2,1H3,(H-,26,27,30,31)/p+1/t24-/m0/s1
Synonyms:	N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE
Definition date:	2010-01-16
Last modified:	2020-06-17
Identifier:	(5R)-5-[(6-methoxy-1-oxo-isoindol-2-ium-2-yl)methyl]-5-(4-pyridin-3-ylphenyl)imidazolidine-2,4-dione

Z94

Z94
Name:	N-{4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide
Formula:	C11 H11 N3 O3
SMILES:	CC(=O)Nc1ccc(cc1)[CH]2NC(=O)NC2=O
InChi:	InChI=1S/C11H11N3O3/c1-6(15)12-8-4-2-7(3-5-8)9-10(16)14-11(17)13-9/h2-5,9H,1H3,(H,12,15)(H2,13,14,16,17)/t9-/m0/s1
Synonyms:	2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID
Definition date:	2009-12-14
Last modified:	2020-06-17
Identifier:	N-[4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]ethanamide

YPG

YPG
Name:	[3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid
Formula:	C14 H22 N6 O10 P2
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3CN(C[CH]3OC[CH](O)[P](O)(O)=O)C(=O)CC[P](O)(O)=O
InChi:	InChI=1S/C14H22N6O10P2/c15-14-17-12-11(13(23)18-14)16-6-20(12)7-3-19(9(21)1-2-31(24,25)26)4-8(7)30-5-10(22)32(27,28)29/h6-8,10,22H,1-5H2,(H2,24,25,26)(H2,27,28,29)(H3,15,17,18,23)/t7-,8-,10+/m1/s1
Synonyms:	[3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine
Definition date:	2016-01-12
Last modified:	2020-06-17
Release date:	2017-01-18
Identifier:	[3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-yl]-3-oxidanylidene-propyl]phosphonic acid

WDL

WDL
Name:	1,3,5-triazine-2,4,6-triol
Formula:	C3 H3 N3 O3
SMILES:	Oc1nc(O)nc(O)n1
InChi:	InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
Synonyms:	Cyanuric Acid
Definition date:	2012-12-19
Last modified:	2020-06-17
Release date:	2013-05-22
Identifier:	1,3,5-triazine-2,4,6-triol

YCU

YCU
Name:	1-[5-(2-METHOXYETHYL)-4-METHYL-THIOPHEN-2-YL]SULFONYL-3-[4-METHOXY-6-(METHYLCARBAMOYLAMINO)PYRIDIN-2-YL]UREA
Formula:	C17 H23 N5 O6 S2
SMILES:	CNC(=O)Nc1cc(OC)cc(NC(=O)N[S](=O)(=O)c2sc(CCOC)c(C)c2)n1
InChi:	InChI=1S/C17H23N5O6S2/c1-10-7-15(29-12(10)5-6-27-3)30(25,26)22-17(24)21-14-9-11(28-4)8-13(19-14)20-16(23)18-2/h7-9H,5-6H2,1-4H3,(H4,18,19,20,21,22,23,24)
Synonyms:	RO5207315
Definition date:	2011-01-14
Last modified:	2020-06-17
Identifier:	1-[5-(2-methoxyethyl)-4-methyl-thiophen-2-yl]sulfonyl-3-[4-methoxy-6-(methylcarbamoylamino)pyridin-2-yl]urea

X7E

X7E
Name:	(4R)-5-[(S)-(3,4-DIFLUOROPHENYL)(HYDROXY)METHYL]-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-3,4-DIHYDROPYRIMIDINE-2(1H)-THIONE
Formula:	C19 H18 F2 N2 O2 S
SMILES:	S=C2NC(c1cccc(O)c1)C(=C(N2C)C)C(O)c3ccc(F)c(F)c3
InChi:	InChI=1S/C19H18F2N2O2S/c1-10-16(18(25)12-6-7-14(20)15(21)9-12)17(22-19(26)23(10)2)11-4-3-5-13(24)8-11/h3-9,17-18,24-25H,1-2H3,(H,22,26)/t17-,18+/m1/s1
Synonyms:	(R)-(3,4-DIFLUOROPHENYL)(4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)
Definition date:	2010-02-26
Last modified:	2020-06-17
Identifier:	(4R)-5-[(S)-(3,4-difluorophenyl)(hydroxy)methyl]-4-(3-hydroxyphenyl)-1,6-dimethyl-3,4-dihydropyrimidine-2(1H)-thione

BC3

BC3
Name:	2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Formula:	C12 H11 N5 O
SMILES:	O=C1c2c(N=C(N1)N)c(cn2)Cc3cccnc3
InChi:	InChI=1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18)
Synonyms:	peldesine,BCX-34
Definition date:	2008-06-25
Last modified:	2020-06-17
Identifier:	2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

BC4

BC4
Name:	(3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one
Formula:	C11 H16 N2 O S
SMILES:	O=C1NC2C(SCC2N1)CCCCC#C
InChi:	InChI=1S/C11H16N2OS/c1-2-3-4-5-6-9-10-8(7-15-9)12-11(14)13-10/h1,8-10H,3-7H2,(H2,12,13,14)/t8-,9-,10-/m0/s1
Synonyms:	biotin acetylene
Definition date:	2013-10-17
Last modified:	2020-06-17
Release date:	2013-10-30
Identifier:	(3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one

HP4

HP4
Name:	phosphinate
Formula:	H2 O2 P
SMILES:	[O-][PH2]=O
InChi:	InChI=1S/H3O2P/c1-3-2/h3H2,(H,1,2)/p-1
Synonyms:	Hypophosphite
Definition date:	2016-11-14
Last modified:	2020-06-17
Release date:	2017-11-29
Identifier:	phosphinate

ZAA

ZAA
Name:	(5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid
Formula:	C29 H26 N4 O4
SMILES:	O=C(O)Cc1nn(nc1Cc4cc(OCCc2nc(oc2C)c3ccccc3)ccc4)c5ccccc5
InChi:	InChI=1S/C29H26N4O4/c1-20-25(30-29(37-20)22-10-4-2-5-11-22)15-16-36-24-14-8-9-21(17-24)18-26-27(19-28(34)35)32-33(31-26)23-12-6-3-7-13-23/h2-14,17H,15-16,18-19H2,1H3,(H,34,35)
Synonyms:	2-(5-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)ACETIC ACID
Definition date:	2007-12-06
Last modified:	2020-06-17
Identifier:	(5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid

HP8

HP8
Name:	5'-O-{[(2,3-dihydroxyphenyl)carbonyl]sulfamoyl}adenosine
Formula:	C17 H18 N6 O9 S
SMILES:	O=C(c1cccc(O)c1O)NS(=O)(=O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O
InChi:	InChI=1S/C17H18N6O9S/c18-14-10-15(20-5-19-14)23(6-21-10)17-13(27)12(26)9(32-17)4-31-33(29,30)22-16(28)7-2-1-3-8(24)11(7)25/h1-3,5-6,9,12-13,17,24-27H,4H2,(H,22,28)(H2,18,19,20)/t9-,12-,13-,17-/m1/s1
Synonyms:	5'-O-[N-(2,3-dihydroxybenzoyl)sulfamoyl] adenosine
Definition date:	2010-08-03
Last modified:	2020-06-17
Identifier:	5'-O-[(2,3-dihydroxybenzoyl)sulfamoyl]adenosine

VIT

VIT
Name:	VITAMIN E
Formula:	C29 H50 O2
SMILES:	Oc2c(c(c1OC(CCc1c2C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C
InChi:	InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m0/s1
Synonyms:	2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-6-CHROMANOL
Definition date:	2000-08-02
Last modified:	2020-06-17
Identifier:	(2S)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol

BCG

BCG
Name:	3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID
Formula:	C16 H19 N O4
SMILES:	O=C(O)C3C1N(C)C(CC1)CC3OC(=O)c2ccccc2
InChi:	InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1
Synonyms:	BENZOYLECGONINE
Definition date:	2003-09-15
Last modified:	2020-06-17
Identifier:	(1R,2R,3S,5S)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylic acid

XZN

XZN
Name:	4-[(3,5-DICHLORO-4-METHOXYPHENYL)AMINO]-6-METHOXY-7-[3-(4-METHYLPIPERAZIN-1-YL)PROPOXY]QUINOLINE-3-CARBONITRILE
Formula:	C26 H29 Cl2 N5 O3
SMILES:	Clc1cc(cc(Cl)c1OC)Nc4c(C#N)cnc3cc(OCCCN2CCN(CC2)C)c(OC)cc34
InChi:	InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-24-14-22-19(13-23(24)34-2)25(17(15-29)16-30-22)31-18-11-20(27)26(35-3)21(28)12-18/h11-14,16H,4-10H2,1-3H3,(H,30,31)
Synonyms:	BOSUTINIB ISOFORM 1
Definition date:	2012-10-01
Last modified:	2020-06-17
Release date:	2012-10-05
Identifier:	4-[(3,5-dichloro-4-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile

HPL

HPL
Name:	HEPTYLFORMAMIDE
Formula:	C8 H17 N O
SMILES:	O=CNCCCCCCC
InChi:	InChI=1S/C8H17NO/c1-2-3-4-5-6-7-9-8-10/h8H,2-7H2,1H3,(H,9,10)
Synonyms:	N-HEPTYLFORMAMIDE
Definition date:	2004-07-25
Last modified:	2020-06-17
Identifier:	N-heptylformamide

HPV

HPV
Name:	2-oxo-3-(phosphonooxy)propanoic acid
Formula:	C3 H5 O7 P
SMILES:	O=P(O)(O)OCC(=O)C(=O)O
InChi:	InChI=1S/C3H5O7P/c4-2(3(5)6)1-10-11(7,8)9/h1H2,(H,5,6)(H2,7,8,9)
Synonyms:	Hydroxypyruvic acid phosphate
Definition date:	2008-06-09
Last modified:	2020-06-17
Identifier:	2-oxo-3-(phosphonooxy)propanoic acid

BCZ

BCZ
Name:	3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID
Formula:	C15 H28 N4 O4
SMILES:	O=C(O)C1CC(NC(=[N@H])N)C(C(NC(=O)C)C(CC)CC)C1O
InChi:	InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1
Synonyms:	BCX-1812
Definition date:	2002-03-18
Last modified:	2020-06-17
Identifier:	(1S,2S,3R,4R)-3-[(1S)-1-(acetylamino)-2-ethylbutyl]-4-carbamimidamido-2-hydroxycyclopentanecarboxylic 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

VK3

VK3
Name:	MENADIONE
Formula:	C11 H8 O2
SMILES:	O=C2c1c(cccc1)C(=O)C(=C2)C
InChi:	InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
Synonyms:	VITAMIN K3
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	2-methylnaphthalene-1,4-dione

HQI

HQI
Name:	N-(8-hydroxyquinolin-5-yl)acetamide
Formula:	C11 H10 N2 O2
SMILES:	CC(=O)Nc1ccc(O)c2ncccc12
InChi:	InChI=1S/C11H10N2O2/c1-7(14)13-9-4-5-10(15)11-8(9)3-2-6-12-11/h2-6,15H,1H3,(H,13,14)
Synonyms:	8-hydroxyquinoline
Definition date:	2010-01-19
Last modified:	2020-06-17
Identifier:	N-(8-hydroxyquinolin-5-yl)ethanamide

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