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6G4

6G4
Name:	4-oxononanoyl lysine
Formula:	C15 H28 N2 O4
SMILES:	CCCCCC(=O)CCC(=O)NCCCC[CH](N)C(O)=O
InChi:	InChI=1S/C15H28N2O4/c1-2-3-4-7-12(18)9-10-14(19)17-11-6-5-8-13(16)15(20)21/h13H,2-11,16H2,1H3,(H,17,19)(H,20,21)/t13-/m0/s1
Synonyms:	Nepsilon
Definition date:	2016-05-12
Last modified:	2021-03-01
Release date:	2017-05-03
Identifier:	(2~{S})-2-azanyl-6-(4-oxidanylidenenonanoylamino)hexanoic acid

6GU

6GU
Name:	6-chloroguanine
Formula:	C5 H4 Cl N5
SMILES:	Clc2nc(nc1c2ncn1)N
InChi:	InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
Synonyms:	6-chloro-9H-purin-2-amine
Definition date:	2008-08-26
Last modified:	2021-03-01
Identifier:	6-chloro-9H-purin-2-amine

6GY

6GY
Name:	5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine
Formula:	C29 H39 Cl N7 O2 P
SMILES:	c1(cnc(nc1Nc2c(P(C)(=O)C)cccc2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
InChi:	InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)
Synonyms:	Brigatinib
Definition date:	2016-04-07
Last modified:	2021-03-01
Release date:	2016-05-25
Identifier:	5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine

6HS

6HS
Name:	(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside
Formula:	C19 H36 N4 O8
SMILES:	O(C2C(O)C(OC1OC(=CCC1N)CO)C(N)CC2N)C3OCC(O)(C(NC)C3O)C
InChi:	InChI=1S/C19H36N4O8/c1-19(27)7-28-18(13(26)16(19)23-2)31-15-11(22)5-10(21)14(12(15)25)30-17-9(20)4-3-8(6-24)29-17/h3,9-18,23-27H,4-7,20-22H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1
Synonyms:	6'-hydroxysisomicin
Definition date:	2012-09-03
Last modified:	2021-03-01
Release date:	2013-04-03
Identifier:	(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside

PXO

PXO
Name:	(1Z)-propanal oxime
Formula:	C3 H7 N O
SMILES:	N(/O)=C/CC
InChi:	InChI=1S/C3H7NO/c1-2-3-4-5/h3,5H,2H2,1H3/b4-3-
Synonyms:	(Z)-propionaldoxime
Definition date:	2009-03-31
Last modified:	2021-03-01
Identifier:	(1Z)-propanal oxime

6JR

6JR
Name:	3-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one
Formula:	C18 H16 N5 O7 P
SMILES:	n54C(c3ncn(C2OC1COP(OC1C2O)(O)=O)c3Nc4nc(c5)c6ccccc6)=O
InChi:	InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1
Synonyms:	PET-cGMP
Definition date:	2016-04-19
Last modified:	2021-03-01
Release date:	2017-08-09
Identifier:	3-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one

PY4

PY4
Name:	2-[O-PHOSPHONOPYRIDOXYL]-AMINO- BUTYRIC ACID
Formula:	C12 H19 N2 O7 P
SMILES:	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CC
InChi:	InChI=1S/C12H19N2O7P/c1-3-10(12(16)17)14-5-9-8(6-21-22(18,19)20)4-13-7(2)11(9)15/h4,10,14-15H,3,5-6H2,1-2H3,(H,16,17)(H2,18,19,20)/t10-/m1/s1
Synonyms:	VITAMIN B6 COMPLEXED WITH 2-AMINO-BUTYRIC ACID
Definition date:	1999-08-18
Last modified:	2021-03-01
Identifier:	(2R)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid

PYG

PYG
Name:	BENZENE-1,2,3-TRIOL
Formula:	C6 H6 O3
SMILES:	Oc1cccc(O)c1O
InChi:	InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
Synonyms:	PYROGALLOL
Definition date:	2004-07-27
Last modified:	2021-03-01
Identifier:	benzene-1,2,3-triol

PYI

PYI
Name:	1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-METHYLPYRIDINIUM
Formula:	C14 H21 N4 O7 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCCc1ccc[n+](c1C)Cc2cnc(nc2N)C
InChi:	InChI=1S/C14H20N4O7P2/c1-10-12(5-7-24-27(22,23)25-26(19,20)21)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8H,5,7,9H2,1-2H3,(H4-,15,16,17,19,20,21,22,23)/p+1
Synonyms:	PYRITHIAMIN PYROPHOSPHATE
Definition date:	2005-11-17
Last modified:	2021-03-01
Identifier:	1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-methylpyridinium

PZA

PZA
Name:	PYRAZINE-2-CARBOXAMIDE
Formula:	C5 H5 N3 O
SMILES:	O=C(N)c1nccnc1
InChi:	InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
Synonyms:	Pyrazinamide
Definition date:	2004-09-06
Last modified:	2021-03-01
Identifier:	pyrazine-2-carboxamide

6L4

6L4
Name:	~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
Formula:	C17 H15 Cl N6 O2
SMILES:	Cn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1
InChi:	InChI=1S/C17H15ClN6O2/c1-3-15(25)22-13-6-4-5-7-14(13)26-16-12(18)9-19-17(23-16)21-11-8-20-24(2)10-11/h3-10H,1H2,2H3,(H,22,25)(H,19,21,23)
Synonyms:	N-(2-((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)oxy)phenyl)acrylamide
Definition date:	2016-04-26
Last modified:	2021-03-01
Release date:	2017-02-15
Identifier:	~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide

PZM

PZM
Name:	1-(4-METHOXYPHENYL)METHANAMINE
Formula:	C8 H11 N O
SMILES:	O(c1ccc(cc1)CN)C
InChi:	InChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
Synonyms:	P-METHOXYBENZYLAMINE
Definition date:	2006-07-24
Last modified:	2021-03-01
Identifier:	1-(4-methoxyphenyl)methanamine

PZP

PZP
Name:	[5-hydroxy-4-(iminomethyl)-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate
Formula:	C8 H11 N2 O5 P
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1C=[N@H])C
InChi:	InChI=1S/C8H11N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h2-3,9,11H,4H2,1H3,(H2,12,13,14)/b9-2+
Synonyms:	pyridoximine-5'-phosphate
Definition date:	2010-04-23
Last modified:	2021-03-01
Identifier:	{5-hydroxy-4-[(E)-iminomethyl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate

6LD

6LD
Name:	Sacubitrilat
Formula:	C22 H25 N O5
SMILES:	c1(ccc(CC(NC(CCC(=O)O)=O)CC(C)C(O)=O)cc1)c2ccccc2
InChi:	InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19+/m1/s1
Synonyms:	LBQ657
Definition date:	2016-04-29
Last modified:	2021-03-01
Release date:	2016-06-15
Identifier:	(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-[(3-carboxypropanoyl)amino]-2-methylpentanoic acid

6O2

6O2
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[6-[(3-ethynylphenyl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate
Formula:	C18 H18 N6 O6 S
SMILES:	N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(Nc4cccc(c4)C#C)ncnc23
InChi:	InChI=1S/C18H18N6O6S/c1-2-10-4-3-5-11(6-10)23-16-13-17(21-8-20-16)24(9-22-13)18-15(26)14(25)12(30-18)7-29-31(19,27)28/h1,3-6,8-9,12,14-15,18,25-26H,7H2,(H2,19,27,28)(H,20,21,23)/t12-,14-,15-,18-/m1/s1
Synonyms:	ABPA3
Definition date:	2016-05-30
Last modified:	2021-03-01
Release date:	2017-06-14
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[6-[(3-ethynylphenyl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate

6OJ

6OJ
Name:	7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
Formula:	C12 H10 Cl2 N2 O
SMILES:	Clc1ccc2c(c1Cl)n(c3c2CCNC3=O)C
InChi:	InChI=1S/C12H10Cl2N2O/c1-16-10-6(2-3-8(13)9(10)14)7-4-5-15-12(17)11(7)16/h2-3H,4-5H2,1H3,(H,15,17)
Synonyms:	Dihydro-Bauerine C
Definition date:	2012-05-03
Last modified:	2021-03-01
Identifier:	7,8-dichloro-9-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one

6PH

6PH
Name:	(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate
Formula:	C31 H61 O8 P
SMILES:	O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)O
InChi:	InChI=1S/C31H61O8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31(33)39-29(28-38-40(34,35)36)27-37-30(32)25-23-21-19-17-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/t29-/m1/s1
Synonyms:	PHOSPHATIDIC ACID
Definition date:	2008-04-30
Last modified:	2021-03-01
Identifier:	(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate

6QC

6QC
Name:	~{N}-[(2~{S})-1-[[(2~{R})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
Formula:	C21 H36 N3 O5 P
SMILES:	CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NC[CH](C)C(C)C
InChi:	InChI=1S/C21H36N3O5P/c1-15(2)11-19(20(25)22-12-17(5)16(3)4)24-30(27,28)14-23-21(26)29-13-18-9-7-6-8-10-18/h6-10,15-17,19H,11-14H2,1-5H3,(H,22,25)(H,23,26)(H2,24,27,28)/t17-,19-/m0/s1
Synonyms:	JC148
Definition date:	2016-05-23
Last modified:	2021-03-01
Release date:	2016-12-21
Identifier:	~{N}-[(2~{S})-1-[[(2~{R})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid

6S8

6S8
Name:	(~{Z})-~{N}-[(~{E},2~{S},3~{R})-1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadec-9-enamide
Formula:	C42 H79 N O8
SMILES:	CCCCCCCCCCCCCC=C[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)NC(=O)CCCCCCCC=CCCCCCCCC
InChi:	InChI=1S/C42H79NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,35-37,39-42,44-45,47-49H,3-16,19-28,30,32-34H2,1-2H3,(H,43,46)/b18-17-,31-29+/t35-,36+,37+,39-,40-,41+,42+/m0/s1
Synonyms:	N-(9Z-octadecenoyl)-1-beta-galactosyl-sphing-4-enine
Definition date:	2016-06-13
Last modified:	2021-03-01
Release date:	2017-12-13
Identifier:	(~{Z})-~{N}-[(~{E},2~{S},3~{R})-1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadec-9-enamide

6SW

6SW
Name:	Inosine-3',5'-cyclic monophosphate
Formula:	C10 H11 N4 O7 P
SMILES:	O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1n3cnc4C(=O)NC=Nc34
InChi:	InChI=1S/C10H11N4O7P/c15-6-7-4(1-19-22(17,18)21-7)20-10(6)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,17,18)(H,11,12,16)/t4-,6-,7-,10-/m1/s1
Synonyms:	cIMP
Definition date:	2016-06-16
Last modified:	2021-03-01
Release date:	2016-09-14
Identifier:	9-[(4~{a}~{R},6~{R},7~{R},7~{a}~{S})-2,7-bis(oxidanyl)-2-oxidanylidene-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1~{H}-purin-6-one

6SX

6SX
Name:	Purine riboside-3',5'-cyclic monophosphate
Formula:	C10 H11 N4 O6 P
SMILES:	O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1n3cnc4cncnc34
InChi:	InChI=1S/C10H11N4O6P/c15-7-8-6(2-18-21(16,17)20-8)19-10(7)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15H,2H2,(H,16,17)/t6-,7-,8-,10-/m1/s1
Synonyms:	cPuMP
Definition date:	2016-06-16
Last modified:	2021-03-01
Release date:	2016-09-14
Identifier:	(4~{a}~{R},6~{R},7~{R},7~{a}~{S})-2-oxidanyl-2-oxidanylidene-6-purin-9-yl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

6SZ

6SZ
Name:	2-Aminopurine riboside-3',5'-cyclic monophosphate
Formula:	C10 H12 N5 O6 P
SMILES:	Nc1ncc2ncn([CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O)c2n1
InChi:	InChI=1S/C10H12N5O6P/c11-10-12-1-4-8(14-10)15(3-13-4)9-6(16)7-5(20-9)2-19-22(17,18)21-7/h1,3,5-7,9,16H,2H2,(H,17,18)(H2,11,12,14)/t5-,6-,7-,9-/m1/s1
Synonyms:	2-NH2-cPuMP
Definition date:	2016-06-16
Last modified:	2021-03-01
Release date:	2016-09-14
Identifier:	(4~{a}~{R},6~{R},7~{R},7~{a}~{S})-6-(2-azanylpurin-9-yl)-2-oxidanyl-2-oxidanylidene-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

6TL

6TL
Name:	5-[2-[4-[2-(1~{H}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
Formula:	C33 H40 N6 O
SMILES:	O=C(NCCCN1CCCC1)c2cncc(c2)c3ccccc3N4CCN(CC4)CCc5c[nH]c6ccccc56
InChi:	InChI=1S/C33H40N6O/c40-33(35-13-7-16-37-14-5-6-15-37)28-22-27(23-34-24-28)30-9-2-4-11-32(30)39-20-18-38(19-21-39)17-12-26-25-36-31-10-3-1-8-29(26)31/h1-4,8-11,22-25,36H,5-7,12-21H2,(H,35,40)
Synonyms:	AZ506
Definition date:	2016-06-21
Last modified:	2021-03-01
Release date:	2016-12-07
Identifier:	5-[2-[4-[2-(1~{H}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide

6TM

6TM
Name:	6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide
Formula:	C32 H37 Cl2 N7 O
SMILES:	Clc1ccc(CCN2CCN(CC2)c3ccccc3c4cc(C(=O)NCCCN5CCCC5)c6c[nH]nc6n4)cc1Cl
InChi:	InChI=1S/C32H37Cl2N7O/c33-27-9-8-23(20-28(27)34)10-15-40-16-18-41(19-17-40)30-7-2-1-6-24(30)29-21-25(26-22-36-38-31(26)37-29)32(42)35-11-5-14-39-12-3-4-13-39/h1-2,6-9,20-22H,3-5,10-19H2,(H,35,42)(H,36,37,38)
Synonyms:	AZ931
Definition date:	2016-06-21
Last modified:	2021-03-01
Release date:	2016-12-07
Identifier:	6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide

6U4

6U4
Name:	[[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Formula:	C10 H16 N5 O13 P3
SMILES:	NC1=C2N=CN([CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3)C2=NC(=O)N1
InChi:	InChI=1S/C10H16N5O13P3/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
Synonyms:	2-oxo-dATP
Definition date:	2016-06-24
Last modified:	2021-03-01
Release date:	2017-01-04
Identifier:	[[(2~{R},3~{S},5~{R})-5-(6-azanyl-2-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

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