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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

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

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

KZ9

KZ9
Name:	(S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAHYDROQUINAZOLIN-5(6H)-ONE
Formula:	C14 H14 N2 O2 S
SMILES:	O=C3C1=C(NC(=S)NC1c2cccc(O)c2)CCC3
InChi:	InChI=1S/C14H14N2O2S/c17-9-4-1-3-8(7-9)13-12-10(15-14(19)16-13)5-2-6-11(12)18/h1,3-4,7,13,17H,2,5-6H2,(H2,15,16,19)/t13-/m0/s1
Synonyms:	(4S)-4-(3-hydroxyphenyl)-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one
Definition date:	2010-02-26
Last modified:	2020-06-17
Identifier:	(4S)-4-(3-hydroxyphenyl)-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one

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

KZS

KZS
Name:	N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine
Formula:	C20 H38 N4 O2
SMILES:	CCOCC1(CCC(CC1)c2nncc2CN(C)CCNC)COCC
InChi:	InChI=1S/C20H38N4O2/c1-5-25-15-20(16-26-6-2)9-7-17(8-10-20)19-18(13-22-23-19)14-24(4)12-11-21-3/h13,17,21H,5-12,14-16H2,1-4H3,(H,22,23)
Synonyms:	GSK3368715
Definition date:	2019-01-28
Last modified:	2020-06-17
Release date:	2019-07-10
Identifier:	N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine

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

L00

L00
Name:	(2R)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid in-4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-amine
Formula:	C26 H35 Cl N6 O4 S
SMILES:	O=S(=O)(N(c2nc(N(CC1CC1C)CCOC)cc(c2Cl)c3nnc(o3)C(N)(C)Cc4ccccc4)C)C
InChi:	InChI=1S/C26H35ClN6O4S/c1-17-13-19(17)16-33(11-12-36-4)21-14-20(22(27)23(29-21)32(3)38(5,34)35)24-30-31-25(37-24)26(2,28)15-18-9-7-6-8-10-18/h6-10,14,17,19H,11-13,15-16,28H2,1-5H3/t17-,19+,26+/m0/s1
Synonyms:	N-(4-{5-[(1R)-1-AMINO-1-METHYL-2-PHENYLETHYL]-1,3,4-OXADIAZOL-2-YL}-3-CHLORO-6-[(2-METHOXYETHYL){[(1S,2S)-2-METHYLCYCLO PROPYL]METHYL}AMINO]PYRIDIN-2-YL)-N-METHYLMETHANESULFONAMIDE
Definition date:	2006-11-10
Last modified:	2020-06-17
Identifier:	N-(4-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl}-3-chloro-6-[(2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino]pyridin-2-yl)-N-methylmethanesulfonamide

HQL

HQL
Name:	4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE
Formula:	C22 H27 N5 O
SMILES:	O(C2CCN(CCCc1nnnn1)CC2)C(c3ccccc3)c4ccccc4
InChi:	InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26)
Synonyms:	HQL-79
Definition date:	2005-06-15
Last modified:	2020-06-17
Identifier:	4-(diphenylmethoxy)-1-[3-(1H-tetrazol-5-yl)propyl]piperidine

L01

L01
Name:	3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE
Formula:	C32 H41 N3 O4
SMILES:	O=C(N(CCC)CCC)c1cccc(c1)C(=O)NC(Cc2ccccc2)C(O)CNCc3cc(OC)ccc3
InChi:	InChI=1S/C32H41N3O4/c1-4-17-35(18-5-2)32(38)27-15-10-14-26(21-27)31(37)34-29(20-24-11-7-6-8-12-24)30(36)23-33-22-25-13-9-16-28(19-25)39-3/h6-16,19,21,29-30,33,36H,4-5,17-18,20,22-23H2,1-3H3,(H,34,37)/t29-,30+/m0/s1
Synonyms:	HYDROXYETHYLAMINE BACE INHIBITOR
Definition date:	2006-10-19
Last modified:	2020-06-17
Identifier:	N'-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N,N-dipropylbenzene-1,3-dicarboxamide

L12

L12
Name:	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE
Formula:	C15 H14 N2
SMILES:	n1ccc(cc1)CCc3c2ccccc2nc3
InChi:	InChI=1S/C15H14N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,7-11,17H,5-6H2
Synonyms:	INHIBITOR OF P38 KINASE
Definition date:	2004-09-16
Last modified:	2020-06-17
Identifier:	3-(2-pyridin-4-ylethyl)-1H-indole

HS6

HS6
Name:	2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide
Formula:	C8 H7 F N2 O4 S
SMILES:	O=S(=O)(c1ccc(F)cc1)NCC(=O)N=O
InChi:	InChI=1S/C8H7FN2O4S/c9-6-1-3-7(4-2-6)16(14,15)10-5-8(12)11-13/h1-4,10H,5H2
Synonyms:	4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
Definition date:	2008-11-04
Last modified:	2020-06-17
Identifier:	N~2~-[(4-fluorophenyl)sulfonyl]-N-oxoglycinamide

HS7

HS7
Name:	N-oxo-2-(phenylsulfonylamino)ethanamide
Formula:	C8 H8 N2 O4 S
SMILES:	O=S(=O)(NCC(=O)N=O)c1ccccc1
InChi:	InChI=1S/C8H8N2O4S/c11-8(10-12)6-9-15(13,14)7-4-2-1-3-5-7/h1-5,9H,6H2
Synonyms:	N-(2-nitroso-2-oxoethyl)benzenesulfonamide
Definition date:	2008-11-04
Last modified:	2020-06-17
Identifier:	N-oxo-N~2~-(phenylsulfonyl)glycinamide

L24

L24
Name:	[[[2-AMINO-5,6,7,8-TETRAHYDRO-4-HYDROXY-PYRIDO[2,3-D]PYRIMIDIN-6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID
Formula:	C21 H25 N5 O6
SMILES:	O=C(O)C(NC(=O)c1ccc(cc1)CCC3Cc2c(nc(nc2NC3)N)O)CCC(=O)O
InChi:	InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15-/m0/s1
Synonyms:	LY249543
Definition date:	1999-12-14
Last modified:	2020-06-17
Identifier:	N-[(4-{2-[(6S)-2-amino-4-hydroxy-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}phenyl)carbonyl]-L-glutamic acid

L27

L27
Name:	{1-BENZYL-3-[2-BENZYL-3-OXO-4-(1-OXO-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-4-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL]-2- HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Formula:	C35 H37 N3 O6
SMILES:	O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CC3(C(=O)C(=CN3)C5c4ccccc4C(=O)NC5)Cc6ccccc6
InChi:	InChI=1S/C35H37N3O6/c39-31(30(17-23-9-3-1-4-10-23)38-34(42)44-25-15-16-43-22-25)19-35(18-24-11-5-2-6-12-24)32(40)29(21-37-35)28-20-36-33(41)27-14-8-7-13-26(27)28/h1-14,21,25,28,30-31,37,39H,15-20,22H2,(H,36,41)(H,38,42)/t25-,28+,30-,31-,35-/m0/s1
Synonyms:	LDC271 INHIBITOR
Definition date:	2003-01-22
Last modified:	2020-06-17
Identifier:	(3S)-tetrahydrofuran-3-yl [(1S,2S)-1-benzyl-3-{(2S)-2-benzyl-3-oxo-4-[(4R)-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]-2,3-dihydro-1H-pyrrol-2-yl}-2-hydroxypropyl]carbamate

HSS

HSS
Name:	5'-O-[(L-HISTIDYLAMINO)SULFONYL]ADENOSINE
Formula:	C16 H21 N9 O7 S
SMILES:	O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4cncn4
InChi:	InChI=1S/C16H21N9O7S/c17-8(1-7-2-19-4-20-7)15(28)24-33(29,30)31-3-9-11(26)12(27)16(32-9)25-6-23-10-13(18)21-5-22-14(10)25/h2,4-6,8-9,11-12,16,26-27H,1,3,17H2,(H,19,20)(H,24,28)(H2,18,21,22)/t8-,9+,11+,12+,16+/m0/s1
Synonyms:	5'-O-[N-(L-HISTIDYL)SULFAMOYL]ADENOSINE
Definition date:	2007-05-25
Last modified:	2020-06-17
Identifier:	5'-O-(L-histidylsulfamoyl)adenosine

L2H

L2H
Name:	(12S,27S)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2. 1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dode caene-10,25-dione
Formula:	C32 H34 N10 O8
SMILES:	O=C5NC(c1nc(c(o1)C)c2oc(c(n2)c3occ(n3)C(=O)NC(c7nc(c4nc(co4)c6nc5co6)co7)CCCCN)C)CCCCN
InChi:	InChI=1S/C32H34N10O8/c1-15-23-31-38-20(12-48-31)26(44)35-17(7-3-5-9-33)27-39-22(13-46-27)29-40-21(14-47-29)28-37-19(11-45-28)25(43)36-18(8-4-6-10-34)30-41-24(16(2)49-30)32(42-23)50-15/h11-14,17-18H,3-10,33-34H2,1-2H3,(H,35,44)(H,36,43)/t17-,18-/m0/s1
Synonyms:	Telomestatin derivative
Definition date:	2013-08-12
Last modified:	2020-06-17
Release date:	2013-08-28
Identifier:	(12S,27S)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2.1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dodecaene-10,25-dione

HT
Name:	2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Formula:	C25 H24 N6 O
SMILES:	Oc1ccc(cc1)c3nc2ccc(cc2n3)c5nc4ccc(cc4n5)N6CCN(C)CC6
InChi:	InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)
Synonyms:	HOECHST 33258
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	4-[6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazol-2'-yl]phenol

HT2

HT2
Name:	5-AMIDINO-2-[2-(4-AMIDINOPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE
Formula:	C22 H18 N8
SMILES:	[N@H]=C(N)c1ccc(cc1)c5nc4ccc(c3nc2ccc(cc2n3)C(=[N@H])N)cc4n5
InChi:	InChI=1S/C22H18N8/c23-19(24)11-1-3-12(4-2-11)21-27-16-8-6-14(10-18(16)29-21)22-28-15-7-5-13(20(25)26)9-17(15)30-22/h1-10H,(H3,23,24)(H3,25,26)(H,27,29)(H,28,30)
Synonyms:	BIS-AMIDINIUM DERIVATIVE OF HOECHST 33258
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	2'-(4-carbamimidoylphenyl)-1H,3'H-2,5'-bibenzimidazole-6-carboximidamide

HTF

HTF
Name:	N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE
Formula:	C12 H21 N O3
SMILES:	O=C1OCCC1NC(=O)CCCCCCC
InChi:	InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1
Synonyms:	N-OCTANOYL-L-HOMOSERINE LACTONE
Definition date:	2005-09-14
Last modified:	2020-06-17
Identifier:	N-[(3S)-2-oxotetrahydrofuran-3-yl]octanamide

L34

L34
Name:	4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID
Formula:	C20 H21 N7 O7
SMILES:	O=C(O)C(NC(=O)c4ccc(N3C(=O)N2c1c(nc(nc1O)N)NCC2C3)cc4)CCC(=O)O
InChi:	InChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1
Synonyms:	LY345899
Definition date:	1999-12-15
Last modified:	2020-06-17
Identifier:	N-({4-[(6aR)-3-amino-1-hydroxy-9-oxo-5,6,6a,7-tetrahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid

HTL

HTL
Name:	2-ACETYL-THIAMINE DIPHOSPHATE
Formula:	C14 H21 N4 O8 P2 S
SMILES:	O=C(c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)C
InChi:	InChI=1S/C14H20N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1
Synonyms:	2-ACETYL-3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-4-METHYL-5-(4,6,6-TRIHYDROXY-3,5-DIOXA-4,6-DIPHOSPHAHEX-1-YL)THIAZO LIUM INNER SALT P,P'-DIOXIDE
Definition date:	2001-11-26
Last modified:	2020-06-17
Identifier:	2-acetyl-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

QFJ

QFJ
Name:	propionylthiocholine
Formula:	C8 H18 N O S
SMILES:	C[N+](C)(C)CCSC(CC)=O
InChi:	InChI=1S/C8H18NOS/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1
Synonyms:	N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium
Definition date:	2019-10-22
Last modified:	2020-06-17
Release date:	2020-05-13
Identifier:	N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium

QHM

QHM
Name:	hycanthone
Formula:	C20 H24 N2 O2 S
SMILES:	N(CCN(CC)CC)c2c3C(c1ccccc1Sc3c(cc2)CO)=O
InChi:	InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3
Synonyms:	1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)-9H-thioxanthen-9-one
Definition date:	2019-11-04
Last modified:	2020-06-17
Release date:	2020-02-19
Identifier:	1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)-9H-thioxanthen-9-one

QI9

QI9
Name:	Quinine
Formula:	C20 H24 N2 O2
SMILES:	O(c4cc1c(nccc1C(O)C2N3CCC(C2)C(/C=C)C3)cc4)C
InChi:	InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
Synonyms:	(3alpha,8alpha,9R)-6'-methoxycinchonan-9-ol
Definition date:	2014-10-15
Last modified:	2020-06-17
Release date:	2015-01-14
Identifier:	(3alpha,8alpha,9R)-6'-methoxycinchonan-9-ol

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