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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

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

2BS

2BS
Name:	ethyl 2-amino-1,3-benzothiazole-6-carboxylate
Formula:	C10 H10 N2 O2 S
SMILES:	CCOC(=O)c1ccc2nc(N)sc2c1
InChi:	InChI=1S/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12)
Synonyms:	2-amino-benzothiazole-6-carboxylic acid ethyl ester
Definition date:	2009-11-03
Last modified:	2020-06-17
Identifier:	ethyl 2-azanyl-1,3-benzothiazole-6-carboxylate

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

2C0

2C0
Name:	baclofen
Formula:	C10 H12 Cl N O2
SMILES:	Clc1ccc(cc1)C(CN)CC(=O)O
InChi:	InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
Synonyms:	(3R)-4-amino-3-(4-chlorophenyl)butanoic acid
Definition date:	2013-09-19
Last modified:	2020-06-17
Release date:	2013-12-11
Identifier:	(3R)-4-amino-3-(4-chlorophenyl)butanoic acid

2CC

2CC
Name:	3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid
Formula:	C22 H13 Cl2 N3 O4
SMILES:	Clc1cccc2c1ncc2c5c(C(=O)O)nc(C(=O)O)c5c4c3cccc(Cl)c3nc4
InChi:	InChI=1S/C22H13Cl2N3O4/c23-13-5-1-3-9-11(7-25-17(9)13)15-16(20(22(30)31)27-19(15)21(28)29)12-8-26-18-10(12)4-2-6-14(18)24/h1-8,25-27H,(H,28,29)(H,30,31)
Synonyms:	11,11'-Dichlorochromopyrrolic Acid
Definition date:	2009-04-13
Last modified:	2020-06-17
Identifier:	3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid

2CU

2CU
Name:	3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide
Formula:	C19 H24 Cl N5 O3 S
SMILES:	Clc2c(c3c(nc2OCC(=O)N1CCN(C)CC1)sc(c3N)C(=O)NC4CC4)C
InChi:	InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27)
Synonyms:	LY2119620 positive allosteric modulator of M2/M4 receptor
Definition date:	2013-09-20
Last modified:	2020-06-17
Release date:	2013-11-27
Identifier:	3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide

IIH

IIH
Name:	4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol
Formula:	C13 H6 Cl I2 N O2
SMILES:	Ic3cc(c1nc2cccc(Cl)c2o1)cc(I)c3O
InChi:	InChI=1S/C13H6ClI2NO2/c14-7-2-1-3-10-12(7)19-13(17-10)6-4-8(15)11(18)9(16)5-6/h1-5,18H
Synonyms:	2-(3,5-Diiodo-4-hydroxyphenyl)-7-chlorobenzoxazole
Definition date:	2010-04-19
Last modified:	2020-06-17
Release date:	2017-06-28
Identifier:	4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol

2DI

2DI
Name:	9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE
Formula:	C10 H12 N4 O3
SMILES:	O=C1c2ncn(c2N=CN1)C3OC(CC3)CO
InChi:	InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1
Synonyms:	2',3'-DIDEOXYINOSINE
Definition date:	2003-11-11
Last modified:	2020-06-17
Identifier:	9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one

IK8

IK8
Name:	1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-N-(4-{2-[(DIMETHYLAMINO)METHYL]-1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)-3-(TRIFLUOROMETHYL) -1H-PYRAZOLE-5-CARBOXAMIDE
Formula:	C24 H20 F4 N8 O2
SMILES:	Fc2cc(n1ccnc1CN(C)C)ccc2NC(=O)c5cc(nn5c4cc3c(onc3N)cc4)C(F)(F)F
InChi:	InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)
Synonyms:	1-(3'-AMINOBENZISOXAZOL-5'-YL)-3-TRIFLUOROMETHYL-N-[2-FLUORO-4-[(2'-DIMETHYLAMINOMETHYL)IMIDAZOL-1-YL]PHENYL]-1H-PYRAZO LE-5-CARBOXYAMIDE
Definition date:	2005-04-06
Last modified:	2020-06-17
Identifier:	1-(3-amino-1,2-benzoxazol-5-yl)-N-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

2EL

2EL
Name:	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3- ol
Formula:	C16 H25 N5 O3 S
SMILES:	OCCOCCSCC3CN(Cc2cnc1c2ncnc1N)CC3O
InChi:	InChI=1S/C16H25N5O3S/c17-16-15-14(19-10-20-16)11(5-18-15)6-21-7-12(13(23)8-21)9-25-4-3-24-2-1-22/h5,10,12-13,18,22-23H,1-4,6-9H2,(H2,17,19,20)/t12-,13+/m1/s1
Synonyms:	DIETGLYCOL-THIO-DADME-IMMUCILLIN-A
Definition date:	2012-05-09
Last modified:	2020-06-17
Release date:	2013-05-01
Identifier:	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3-ol

2FA

2FA
Name:	2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL
Formula:	C10 H12 F N5 O4
SMILES:	Fc1nc(c2ncn(c2n1)C3OC(C(O)C3O)CO)N
InChi:	InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
Synonyms:	2-FLUOROADENOSINE
Definition date:	2003-08-06
Last modified:	2020-06-17
Identifier:	2-fluoroadenosine

2FD

2FD
Name:	5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL
Formula:	C10 H12 F N5 O3
SMILES:	Fc1nc(c2ncn(c2n1)C3OC(C(O)C3)CO)N
InChi:	InChI=1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1
Synonyms:	2-FLUORO-2'-DEOXYADENOSINE
Definition date:	2003-08-06
Last modified:	2020-06-17
Identifier:	2'-deoxy-2-fluoroadenosine

2FE

2FE
Name:	2'-fluoro-2'-deoxy-1,N6-ethenoadenine
Formula:	C12 H13 F N5 O6 P
SMILES:	O=P(O)(O)OCC4OC(n3cnc1c3ncn2ccnc12)C(F)C4O
InChi:	InChI=1S/C12H13FN5O6P/c13-7-9(19)6(3-23-25(20,21)22)24-12(7)18-5-15-8-10-14-1-2-17(10)4-16-11(8)18/h1-2,4-7,9,12,19H,3H2,(H2,20,21,22)/t6-,7+,9-,12-/m1/s1
Synonyms:	3-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-3H-imidazo[2,1-i]purine
Definition date:	2008-04-28
Last modified:	2020-06-17
Identifier:	3-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-3H-imidazo[2,1-i]purine

2FI

2FI
Name:	2'-fluoro-2'-deoxyinosine
Formula:	C10 H12 F N4 O7 P
SMILES:	O=C1c2ncn(c2N=CN1)C3OC(C(O)C3F)COP(=O)(O)O
InChi:	InChI=1S/C10H12FN4O7P/c11-5-7(16)4(1-21-23(18,19)20)22-10(5)15-3-14-6-8(15)12-2-13-9(6)17/h2-5,7,10,16H,1H2,(H,12,13,17)(H2,18,19,20)/t4-,5+,7-,10-/m1/s1
Synonyms:	9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one
Definition date:	2008-04-28
Last modified:	2020-06-17
Identifier:	9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one

2FM

2FM
Name:	S-(DIFLUOROMETHYL)HOMOCYSTEINE
Formula:	C5 H9 F2 N O2 S
SMILES:	FC(F)SCCC(C(=O)O)N
InChi:	InChI=1S/C5H9F2NO2S/c6-5(7)11-2-1-3(8)4(9)10/h3,5H,1-2,8H2,(H,9,10)/t3-/m0/s1
Synonyms:	DIFLUOROMETHIONINE
Definition date:	2003-05-28
Last modified:	2020-06-17
Identifier:	difluoro-L-methionine

2G6

2G6
Name:	P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-((3,3-dimethylbutyl)amino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid
Formula:	C21 H36 N3 O5 P
SMILES:	O=C(NCCC(C)(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C
InChi:	InChI=1S/C21H36N3O5P/c1-16(2)13-18(19(25)22-12-11-21(3,4)5)24-30(27,28)15-23-20(26)29-14-17-9-7-6-8-10-17/h6-10,16,18H,11-15H2,1-5H3,(H,22,25)(H,23,26)(H2,24,27,28)/t18-/m0/s1
Synonyms:	N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamide
Definition date:	2013-10-11
Last modified:	2020-06-17
Release date:	2014-04-02
Identifier:	N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamide

2G8

2G8
Name:	P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl)phosphonamidic acid
Formula:	C18 H30 N3 O5 P
SMILES:	O=C(NCCC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C
InChi:	InChI=1S/C18H30N3O5P/c1-4-10-19-17(22)16(11-14(2)3)21-27(24,25)13-20-18(23)26-12-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3,(H,19,22)(H,20,23)(H2,21,24,25)/t16-/m0/s1
Synonyms:	N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-propyl-L-leucinamide
Definition date:	2013-10-11
Last modified:	2020-06-17
Release date:	2014-04-02
Identifier:	N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-propyl-L-leucinamide

2G9

2G9
Name:	P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(((S)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid
Formula:	C20 H34 N3 O5 P
SMILES:	O=C(NCC(C)CC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C
InChi:	InChI=1S/C20H34N3O5P/c1-5-16(4)12-21-19(24)18(11-15(2)3)23-29(26,27)14-22-20(25)28-13-17-9-7-6-8-10-17/h6-10,15-16,18H,5,11-14H2,1-4H3,(H,21,24)(H,22,25)(H2,23,26,27)/t16-,18-/m0/s1
Synonyms:	N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2-methylbutyl]-L-leucinamide
Definition date:	2013-10-11
Last modified:	2020-06-17
Release date:	2014-04-02
Identifier:	N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2-methylbutyl]-L-leucinamide

IM3

IM3
Name:	(2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID
Formula:	C9 H9 N O4
SMILES:	O=C(O)C(=[N@H])Cc1cc(O)c(O)cc1
InChi:	InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,10-12H,3H2,(H,13,14)/b10-6+
Synonyms:	IMINO-DOPA
Definition date:	2006-12-14
Last modified:	2020-06-17
Identifier:	(2E)-3-(3,4-dihydroxyphenyl)-2-iminopropanoic acid

IM4

IM4
Name:	(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine
Formula:	C9 H10 Cl N5 O2
SMILES:	[O-][N+](=O)/N=C1NCCN1Cc2cnc(Cl)cc2
InChi:	InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
Synonyms:	imidacloprid
Definition date:	2008-02-11
Last modified:	2020-06-17
Identifier:	(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine

IM5

IM5
Name:	2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Formula:	C12 H17 N5 O3
SMILES:	O=C2NC(=Nc1c(cnc12)CN3CC(C(O)C3)CO)N
InChi:	InChI=1S/C12H17N5O3/c13-12-15-9-6(1-14-10(9)11(20)16-12)2-17-3-7(5-18)8(19)4-17/h1,7-8,14,18-19H,2-5H2,(H3,13,15,16,20)/t7-,8+/m1/s1
Synonyms:	DADMe-ImmG
Definition date:	2010-11-05
Last modified:	2020-06-17
Identifier:	2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

IMB

IMB
Name:	[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID
Formula:	C10 H12 N2 O6 P2
SMILES:	O=P(O)(O)C(Nc2nccc1ccccc12)P(=O)(O)O
InChi:	InChI=1S/C10H12N2O6P2/c13-19(14,15)10(20(16,17)18)12-9-8-4-2-1-3-7(8)5-6-11-9/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18)
Synonyms:	(3-ISOQUINOLYLAMINE) METHYLENE-1,1-BISPHOSPHONATE
Definition date:	2004-04-20
Last modified:	2020-06-17
Identifier:	[(isoquinolin-1-ylamino)methanediyl]bis(phosphonic acid)

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