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8I1

8I1
Name:	2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine
Formula:	C28 H27 N5 O3
SMILES:	n2c1cc(OC)c(OC)cc1c5c(c2)c(nc(c4cc(OCC(N)Cc3ccccc3)cnc4)c5)N
InChi:	InChI=1S/C28H27N5O3/c1-34-26-11-22-21-10-24(33-28(30)23(21)15-32-25(22)12-27(26)35-2)18-9-20(14-31-13-18)36-16-19(29)8-17-6-4-3-5-7-17/h3-7,9-15,19H,8,16,29H2,1-2H3,(H2,30,33)/t19-/m1/s1
Definition date:	2009-08-17
Last modified:	2011-06-04
Identifier:	2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine

8IN

8IN
Name:	[3-(1-BENZYL-3-CARBAMOYLMETHYL-2-METHYL-1H-INDOL-5-YLOXY)-PROPYL-]-PHOSPHONIC ACID
Formula:	C21 H25 N2 O5 P
SMILES:	O=P(O)(O)CCCOc1cc2c(cc1)n(c(c2CC(=O)N)C)Cc3ccccc3
InChi:	InChI=1S/C21H25N2O5P/c1-15-18(13-21(22)24)19-12-17(28-10-5-11-29(25,26)27)8-9-20(19)23(15)14-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H2,22,24)(H2,25,26,27)
Definition date:	1999-11-04
Last modified:	2011-06-04
Identifier:	(3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-methyl-1H-indol-5-yl]oxy}propyl)phosphonic acid

8IP

8IP
Name:	N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE
Formula:	C17 H16 N4
SMILES:	n1cccc(c1)c2cccc(c2)CNc3cccnc3N
InChi:	InChI=1S/C17H16N4/c18-17-16(7-3-9-20-17)21-11-13-4-1-5-14(10-13)15-6-2-8-19-12-15/h1-10,12,21H,11H2,(H2,18,20)
Definition date:	2007-01-12
Last modified:	2011-06-04
Identifier:	N~3~-(3-pyridin-3-ylbenzyl)pyridine-2,3-diamine

8MG

8MG
Name:	8-METHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
Formula:	C11 H16 N5 O7 P
SMILES:	O=C1c2nc(n(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O)C
InChi:	InChI=1S/C11H16N5O7P/c1-4-13-8-9(14-11(12)15-10(8)18)16(4)7-2-5(17)6(23-7)3-22-24(19,20)21/h5-7,17H,2-3H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,7+/m0/s1
Definition date:	2003-10-08
Last modified:	2011-06-04
Identifier:	2'-deoxy-8-methylguanosine 5'-(dihydrogen phosphate)

8OD

8OD
Name:	[(2R,3S,4R,5R)-5-(6-azanyl-8-oxo-7H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
Formula:	C10 H15 N5 O11 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC3OC(N2C(=O)Nc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C10H15N5O11P2/c11-7-4-8(13-2-12-7)15(10(18)14-4)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,14,18)(H,22,23)(H2,11,12,13)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
Definition date:	2010-06-15
Last modified:	2011-06-04
Identifier:	8-oxoadenosine 5'-(trihydrogen diphosphate)

8PC

8PC
Name:	2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL
Formula:	C18 H13 Cl2 N O2
SMILES:	Clc3ccc(Oc1ccc(cc1O)Cc2ncccc2)c(Cl)c3
InChi:	InChI=1S/C18H13Cl2NO2/c19-13-5-7-17(15(20)11-13)23-18-6-4-12(10-16(18)22)9-14-3-1-2-8-21-14/h1-8,10-11,22H,9H2
Definition date:	2007-04-25
Last modified:	2011-06-04
Identifier:	2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol

8PS

8PS
Name:	5-OCTYL-2-PHENOXYPHENOL
Formula:	C20 H26 O2
SMILES:	O(c1ccccc1)c2ccc(cc2O)CCCCCCCC
InChi:	InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3
Definition date:	2005-10-05
Last modified:	2011-06-04
Identifier:	5-octyl-2-phenoxyphenol

8ST

8ST
Name:	N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide
Formula:	C19 H16 Cl N3 O
SMILES:	Clc1ccc(cc1)NC(=O)c3c(NCc2ccncc2)cccc3
InChi:	InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)
Definition date:	2009-06-01
Last modified:	2011-06-04
Identifier:	N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide

8XQ

8XQ
Name:	8-hydroxyquinoline-5-carboxylic acid
Formula:	C10 H7 N O3
SMILES:	O=C(O)c1ccc(O)c2ncccc12
InChi:	InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
Definition date:	2010-07-05
Last modified:	2011-06-04
Identifier:	8-hydroxyquinoline-5-carboxylic acid

190

190
Name:	N-{(1S)-1-(3-BROMOBENZYL)-4-[(4-BROMOPHENYL)SULFONYL]-6-METHYL-2-OXOHEPTYL}-2-(2,6-DIMETHYLPHENOXY)ACETAMIDE
Formula:	C31 H37 Br F N O5 S
SMILES:	Brc1cc(ccc1)CC(NC(=O)COc2c(cccc2C)C)C(O)CC(CC(C)C)S(=O)(=O)c3ccc(F)cc3
InChi:	InChI=1S/C31H37BrFNO5S/c1-20(2)15-27(40(37,38)26-13-11-25(33)12-14-26)18-29(35)28(17-23-9-6-10-24(32)16-23)34-30(36)19-39-31-21(3)7-5-8-22(31)4/h5-14,16,20,27-29,35H,15,17-19H2,1-4H3,(H,34,36)/t27-,28-,29+/m0/s1
Definition date:	2004-10-15
Last modified:	2011-06-04
Identifier:	N-{(1S,2R,4S)-1-(3-bromobenzyl)-4-[(4-fluorophenyl)sulfonyl]-2-hydroxy-6-methylheptyl}-2-(2,6-dimethylphenoxy)acetamide

194

194
Name:	4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID
Formula:	C21 H14 N2 O8
SMILES:	[O-][N+](=O)c1cccc(c1)C(=O)Nc3ccccc3Oc2ccc(C(=O)O)c(C(=O)O)c2
InChi:	InChI=1S/C21H14N2O8/c24-19(12-4-3-5-13(10-12)23(29)30)22-17-6-1-2-7-18(17)31-14-8-9-15(20(25)26)16(11-14)21(27)28/h1-11H,(H,22,24)(H,25,26)(H,27,28)
Definition date:	2005-03-29
Last modified:	2011-06-04
Identifier:	4-(2-{[(3-nitrophenyl)carbonyl]amino}phenoxy)benzene-1,2-dicarboxylic acid

195

195
Name:	4-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID
Formula:	C28 H18 N4 O11
SMILES:	[O-][N+](=O)c1cccc(c1)C(=O)Nc3ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c(c3)NC(=O)c4cccc([N+]([O-])=O)c4
InChi:	InChI=1S/C28H18N4O11/c33-25(15-3-1-5-18(11-15)31(39)40)29-17-7-10-24(43-20-8-9-21(27(35)36)22(14-20)28(37)38)23(13-17)30-26(34)16-4-2-6-19(12-16)32(41)42/h1-14H,(H,29,33)(H,30,34)(H,35,36)(H,37,38)
Definition date:	2005-03-29
Last modified:	2011-06-04
Identifier:	4-(2,4-bis{[(3-nitrophenyl)carbonyl]amino}phenoxy)benzene-1,2-dicarboxylic acid

196

196
Name:	3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE
Formula:	C17 H10 F N O2
SMILES:	Fc3cc(c2cc1ccc(O)cc1c(C#N)c2)ccc3O
InChi:	InChI=1S/C17H10FNO2/c18-16-7-10(2-4-17(16)21)12-5-11-1-3-14(20)8-15(11)13(6-12)9-19/h1-8,20-21H
Definition date:	2005-03-04
Last modified:	2011-06-04
Identifier:	3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile

1AA

1AA
Name:	5'-O-[({[(2-{[(2-AMINOPHENYL)CARBONYL]OXY}ETHYL)OXY]PHOSPHINATO}OXY)PHOSPHINATO]CYTIDINE
Formula:	C18 H24 N4 O13 P2
SMILES:	O=P(O)(OCCOC(=O)c1ccccc1N)OP(=O)(O)OCC3OC(N2C(=O)N=C(N)C=C2)C(O)C3O
InChi:	InChI=1S/C18H24N4O13P2/c19-11-4-2-1-3-10(11)17(25)31-7-8-32-36(27,28)35-37(29,30)33-9-12-14(23)15(24)16(34-12)22-6-5-13(20)21-18(22)26/h1-6,12,14-16,23-24H,7-9,19H2,(H,27,28)(H,29,30)(H2,20,21,26)/t12-,14-,15-,16-/m1/s1
Definition date:	2005-09-26
Last modified:	2011-06-04
Identifier:	5'-O-[(S)-{[(R)-(2-{[(2-aminophenyl)carbonyl]oxy}ethoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine

1AH

1AH
Name:	3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE
Formula:	C34 H41 Br N4 O6
SMILES:	Brc1ccc(cc1)CN(NC(=O)C(NC(=O)OC)C(C)(C)C)CC(O)(C(=O)NC3c2ccccc2CC3O)Cc4ccccc4
InChi:	InChI=1S/C34H41BrN4O6/c1-33(2,3)29(37-32(43)45-4)30(41)38-39(20-23-14-16-25(35)17-15-23)21-34(44,19-22-10-6-5-7-11-22)31(42)36-28-26-13-9-8-12-24(26)18-27(28)40/h5-17,27-29,40,44H,18-21H2,1-4H3,(H,36,42)(H,37,43)(H,38,41)/t27-,28+,29-,34+/m1/s1
Definition date:	2006-02-07
Last modified:	2011-06-04
Identifier:	methyl [(1S)-1-({2-[(2S)-2-benzyl-2-hydroxy-3-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-3-oxopropyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate (non-preferred name)

1AN

1AN
Name:	2-FLUOROANILINE
Formula:	C6 H6 F N
SMILES:	Fc1ccccc1N
InChi:	InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
Definition date:	2002-04-18
Last modified:	2011-06-04
Identifier:	2-fluoroaniline

1AR

1AR
Name:	4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSE
Formula:	C9 H16 O5
SMILES:	O=C(OC1C(OC(O)CC1(O)C)C)C
InChi:	InChI=1S/C9H16O5/c1-5-8(14-6(2)10)9(3,12)4-7(11)13-5/h5,7-8,11-12H,4H2,1-3H3/t5-,7-,8-,9-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-O-acetyl-2,6-dideoxy-3-C-methyl-beta-L-arabino-hexopyranose

1BY

1BY
Name:	[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)
Formula:	C7 H12 N2 O6 P2
SMILES:	O=P(O)(O)C(CNc1ncccc1)P(=O)(O)O
InChi:	InChI=1S/C7H12N2O6P2/c10-16(11,12)7(17(13,14)15)5-9-6-3-1-2-4-8-6/h1-4,7H,5H2,(H,8,9)(H2,10,11,12)(H2,13,14,15)
Definition date:	2006-08-14
Last modified:	2011-06-04
Identifier:	[2-(pyridin-2-ylamino)ethane-1,1-diyl]bis(phosphonic acid)

1C2

1C2
Name:	3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
Formula:	C16 H23 N3 O6 S
SMILES:	O=S(=O)(O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C(C(=O)NC)C2
InChi:	InChI=1S/C16H23N3O6S/c1-16(2,3)25-15(21)19-9-11-7-12(18-26(22,23)24)6-5-10(11)8-13(19)14(20)17-4/h5-7,13,18H,8-9H2,1-4H3,(H,17,20)(H,22,23,24)/t13-/m0/s1
Definition date:	2005-12-02
Last modified:	2011-06-04
Identifier:	[(3S)-2-(tert-butoxycarbonyl)-3-(methylcarbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamic acid

1CB

1CB
Name:	CYCLOPENTANAMINE
Formula:	C5 H11 N
SMILES:	NC1CCCC1
InChi:	InChI=1S/C5H11N/c6-5-3-1-2-4-5/h5H,1-4,6H2
Definition date:	2005-09-06
Last modified:	2011-06-04
Identifier:	cyclopentanamine

1CI

1CI
Name:	1-(4-CHLOROPHENYL)-1H-IMIDAZOLE
Formula:	C9 H7 Cl N2
SMILES:	Clc1ccc(cc1)n2ccnc2
InChi:	InChI=1S/C9H7ClN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
Definition date:	2007-06-15
Last modified:	2011-06-04
Identifier:	1-(4-chlorophenyl)-1H-imidazole

1CN

1CN
Name:	5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE
Formula:	C8 H7 Cl F N5 O4 S3
SMILES:	O=S(=O)(c1nnc(s1)NS(=O)(=O)c2cc(F)c(N)c(Cl)c2)N
InChi:	InChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
Definition date:	2006-07-19
Last modified:	2011-06-04
Identifier:	5-{[(4-amino-3-chloro-5-fluorophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide

1CX

1CX
Name:	(5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide
Formula:	C15 H12 F3 I N2 O3
SMILES:	Ic2ccc(N=C1C(=CC=C(F)C1F)C(=O)NOCCO)c(F)c2
InChi:	InChI=1S/C15H12F3IN2O3/c16-10-3-2-9(15(23)21-24-6-5-22)14(13(10)18)20-12-4-1-8(19)7-11(12)17/h1-4,7,13,22H,5-6H2,(H,21,23)/b20-14-/t13-/m1/s1
Definition date:	2008-07-28
Last modified:	2011-06-04
Identifier:	(5S,6Z)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide

1DA

1DA
Name:	1-DEAZA-ADENOSINE
Formula:	C11 H14 N4 O4
SMILES:	n2c1c(N)ccnc1n(c2)C3OC(C(O)C3O)CO
InChi:	InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1
Definition date:	1999-10-08
Last modified:	2011-06-04
Identifier:	3-beta-D-ribofuranosyl-3H-imidazo[4,5-b]pyridin-7-amine

1DG

1DG
Name:	(4R)-ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
Formula:	C27 H33 N8 O18 P3
SMILES:	NC(=O)C1=CN(C=C[CH]1C(=O)c2ccncc2)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O[P](O)(O)=O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O
InChi:	InChI=1S/C27H33N8O18P3/c28-23-17-25(32-10-31-23)35(11-33-17)27-22(52-54(41,42)43)20(38)16(51-27)9-49-56(46,47)53-55(44,45)48-8-15-19(37)21(39)26(50-15)34-6-3-13(14(7-34)24(29)40)18(36)12-1-4-30-5-2-12/h1-7,10-11,13,15-16,19-22,26-27,37-39H,8-9H2,(H2,29,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t13-,15-,16-,19-,20-,21-,22-,26-,27-/m1/s1
Definition date:	2006-03-20
Last modified:	2011-06-04
Identifier:	[(2R,3S,4R,5R)-5-[(4R)-3-aminocarbonyl-4-pyridin-4-ylcarbonyl-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate

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