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3TD

3TD
Name:	(1S)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol
Formula:	C10 H15 N2 O9 P
SMILES:	O=C1NC=C(C(=O)N1C)C2OC(COP(=O)(O)O)C(O)C2O
InChi:	InChI=1S/C10H15N2O9P/c1-12-9(15)4(2-11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19/h2,5-8,13-14H,3H2,1H3,(H,11,16)(H2,17,18,19)/t5-,6-,7-,8+/m1/s1
Definition date:	2011-01-18
Last modified:	2011-12-14
Identifier:	(1S)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol

U2N

U2N
Name:	2'-AMINO-2'-DEOXYURIDINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:	C9 H14 N3 O8 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(N)C2O
InChi:	InChI=1S/C9H14N3O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3,10H2,(H,11,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:	2006-11-16
Last modified:	2011-12-12
Identifier:	2'-amino-2'-deoxyuridine 5'-(dihydrogen phosphate)

LYW

LYW
Name:	1-AMINO-1-CARBONYL PENTANE
Formula:	C6 H13 N O
SMILES:	O=CC(N)CCCC
InChi:	InChI=1S/C6H13NO/c1-2-3-4-6(7)5-8/h5-6H,2-4,7H2,1H3/t6-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-12-12
Identifier:	(2S)-2-aminohexanal

MMR

MMR
Name:	methyl 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside
Formula:	C12 H21 N O8
SMILES:	O=C(O)C(OC1C(O)C(OC(OC)C1NC(=O)C)CO)C
InChi:	InChI=1S/C12H21NO8/c1-5(11(17)18)20-10-8(13-6(2)15)12(19-3)21-7(4-14)9(10)16/h5,7-10,12,14,16H,4H2,1-3H3,(H,13,15)(H,17,18)/t5-,7-,8-,9-,10-,12-/m1/s1
Synonyms:	1-O-METHYL-N-ACETYL-MURAMIC ACID
Definition date:	2007-05-16
Last modified:	2011-12-12
Identifier:	methyl 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside

B7D

B7D
Name:	(3R)-6-chloro-3-(dichloromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
Formula:	C8 H8 Cl3 N3 O4 S2
SMILES:	O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)C(Cl)Cl)N
InChi:	InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)/t8-/m1/s1
Definition date:	2009-08-10
Last modified:	2011-12-12
Identifier:	(3R)-6-chloro-3-(dichloromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

BA4

BA4
Name:	[[(3R,4R,5S,6R)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate
Formula:	C17 H23 N3 O7
SMILES:	O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)CCC)Nc2ccccc2
InChi:	InChI=1S/C17H23N3O7/c1-2-6-12(22)19-13-15(24)14(23)11(9-21)26-16(13)20-27-17(25)18-10-7-4-3-5-8-10/h3-5,7-8,11,13-15,21,23-24H,2,6,9H2,1H3,(H,18,25)(H,19,22)/b20-16-/t11-,13-,14-,15-/m1/s1
Synonyms:	N-butyryl-PUGNAc
Definition date:	2009-04-15
Last modified:	2011-12-12
Identifier:	N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]butanamide (non-preferred name)

PPP

PPP
Name:	3-PHENYL-1,2-PROPANDIOL
Formula:	C9 H12 O2
SMILES:	OC(Cc1ccccc1)CO
InChi:	InChI=1S/C9H12O2/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-12-12
Identifier:	(2S)-3-phenylpropane-1,2-diol

CB2

CB2
Name:	PHOSPHORIC ACID MONO-[5-(4-AMINO-5-BROMO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER
Formula:	C9 H13 Br N3 O8 P
SMILES:	BrC=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O)N
InChi:	InChI=1S/C9H13BrN3O8P/c10-3-1-13(9(16)12-7(3)11)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,14-15H,2H2,(H2,11,12,16)(H2,17,18,19)/t4-,5-,6+,8-/m1/s1
Synonyms:	5-BROMO-CYTIDINEMONOPHOSPHATE
Definition date:	2003-05-19
Last modified:	2011-12-12
Identifier:	4-amino-5-bromo-1-(5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one

CHA

CHA
Name:	1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANE
Formula:	C9 H19 N O
SMILES:	OCC(N)CC1CCCCC1
InChi:	InChI=1S/C9H19NO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2/t9-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-12-12
Identifier:	(2S)-2-amino-3-cyclohexylpropan-1-ol

CPP

CPP
Name:	2-CYCLOPROPYLMETHYLENEPROPANAL
Formula:	C7 H12 O
SMILES:	O=CC(C)CC1CC1
InChi:	InChI=1S/C7H12O/c1-6(5-8)4-7-2-3-7/h5-7H,2-4H2,1H3/t6-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-12-12
Identifier:	(2S)-3-cyclopropyl-2-methylpropanal

AB5

AB5
Name:	2(S)-AMINO-6-BORONOHEXANOIC ACID
Formula:	C6 H16 B N O5
SMILES:	O=C(O)C(CCCC[B-](O)(O)O)[NH3+]
InChi:	InChI=1S/C6H15BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h5,11-13H,1-4,8H2,(H,9,10)/q-1/p+1/t5-/m0/s1
Definition date:	2005-08-26
Last modified:	2011-12-12
Identifier:	[(5S)-5-ammonio-5-carboxypentyl](trihydroxy)borate(1-)

FDC

FDC
Name:	IRON(III) DICITRATE
Formula:	C12 H22 Fe2 O14
SMILES:	[O][CH]1O\|[Fe]23\|4\|O[CH]([O])CC5(C[CH]([O])O\|[Fe]\|67(\|O[CH]([O])CC(C1)([CH]([O])O\|6)[OH]27)[OH]35)[CH]([O])O\|4
InChi:	InChI=1/2C6H14O7.2Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10
Synonyms:	DINUCLEAR FERRIC CITRATE
Definition date:	2002-01-07
Last modified:	2011-12-12

FRF

FRF
Name:	PHE-REDUCED-PHE
Formula:	C18 H22 N2 O2
SMILES:	O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccccc2
InChi:	InChI=1S/C18H22N2O2/c19-16(11-14-7-3-1-4-8-14)13-20-17(18(21)22)12-15-9-5-2-6-10-15/h1-10,16-17,20H,11-13,19H2,(H,21,22)/t16-,17-/m0/s1
Definition date:	2002-02-27
Last modified:	2011-12-12
Identifier:	N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine

G25

G25
Name:	GUANOSINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N5 O8 P
SMILES:	O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
InChi:	InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Definition date:	2002-08-23
Last modified:	2011-12-12
Identifier:	5'-guanylic acid

OHU

OHU
Name:	2'-deoxy-5-hydroxyuridine 5'-(dihydrogen phosphate)
Formula:	C9 H13 N2 O9 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(O)=C1)CC2O
InChi:	InChI=1S/C9H13N2O9P/c12-4-1-7(20-6(4)3-19-21(16,17)18)11-2-5(13)8(14)10-9(11)15/h2,4,6-7,12-13H,1,3H2,(H,10,14,15)(H2,16,17,18)/t4-,6+,7+/m0/s1
Definition date:	2011-11-22
Last modified:	2011-12-09
Identifier:	2'-deoxy-5-hydroxyuridine 5'-(dihydrogen phosphate)

CFK

CFK
Name:	3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
Formula:	C12 H11 N3 O2 S
SMILES:	O=C(c1sc(cc1NC(=O)N)c2ccccc2)N
InChi:	InChI=1S/C12H11N3O2S/c13-11(16)10-8(15-12(14)17)6-9(18-10)7-4-2-1-3-5-7/h1-6H,(H2,13,16)(H3,14,15,17)
Definition date:	2010-12-17
Last modified:	2011-12-09
Identifier:	3-(carbamoylamino)-5-phenylthiophene-2-carboxamide

BS5

BS5
Name:	5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
Formula:	C20 H29 N9 O7 S2
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)NCC5OC(n3c4ncnc(N)c4nc3)C(O)C5O
InChi:	InChI=1S/C20H29N9O7S2/c21-17-14-18(23-7-22-17)29(8-24-14)19-16(32)15(31)10(36-19)5-25-38(34,35)28-12(30)4-2-1-3-11-13-9(6-37-11)26-20(33)27-13/h7-11,13,15-16,19,25,31-32H,1-6H2,(H,28,30)(H2,21,22,23)(H2,26,27,33)/t9-,10+,11-,13-,15+,16+,19+/m0/s1
Definition date:	2011-05-10
Last modified:	2011-12-09
Identifier:	5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine

09O

09O
Name:	1-(pyridin-3-yl)-1,4-diazepane
Formula:	C10 H15 N3
SMILES:	n1cc(ccc1)N2CCCNCC2
InChi:	InChI=1S/C10H15N3/c1-3-10(9-12-4-1)13-7-2-5-11-6-8-13/h1,3-4,9,11H,2,5-8H2
Definition date:	2011-11-07
Last modified:	2011-12-09
Identifier:	1-(pyridin-3-yl)-1,4-diazepane

09P

09P
Name:	1-(5-ethoxypyridin-3-yl)-1,4-diazepane
Formula:	C12 H19 N3 O
SMILES:	O(c1cc(cnc1)N2CCCNCC2)CC
InChi:	InChI=1S/C12H19N3O/c1-2-16-12-8-11(9-14-10-12)15-6-3-4-13-5-7-15/h8-10,13H,2-7H2,1H3
Definition date:	2011-11-07
Last modified:	2011-12-09
Identifier:	1-(5-ethoxypyridin-3-yl)-1,4-diazepane

09Q

09Q
Name:	1-(5-phenylpyridin-3-yl)-1,4-diazepane
Formula:	C16 H19 N3
SMILES:	n2cc(cc(c1ccccc1)c2)N3CCCNCC3
InChi:	InChI=1S/C16H19N3/c1-2-5-14(6-3-1)15-11-16(13-18-12-15)19-9-4-7-17-8-10-19/h1-3,5-6,11-13,17H,4,7-10H2
Definition date:	2011-11-07
Last modified:	2011-12-09
Identifier:	1-(5-phenylpyridin-3-yl)-1,4-diazepane

09R

09R
Name:	1-(6-bromopyridin-3-yl)-1,4-diazepane
Formula:	C10 H14 Br N3
SMILES:	Brc1ncc(cc1)N2CCCNCC2
InChi:	InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2
Definition date:	2011-11-07
Last modified:	2011-12-09
Identifier:	1-(6-bromopyridin-3-yl)-1,4-diazepane

09S

09S
Name:	1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane
Formula:	C12 H18 Br N3 O
SMILES:	Brc1ncc(cc1OCC)N2CCCNCC2
InChi:	InChI=1S/C12H18BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h8-9,14H,2-7H2,1H3
Definition date:	2011-11-07
Last modified:	2011-12-09
Identifier:	1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane

0BW

0BW
Name:	methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
Formula:	C21 H25 N3 O4
SMILES:	O=C(OC)c2ccc(c(NC(=O)c1cccc(OC)c1)c2)N3CCN(C)CC3
InChi:	InChI=1S/C21H25N3O4/c1-23-9-11-24(12-10-23)19-8-7-16(21(26)28-3)14-18(19)22-20(25)15-5-4-6-17(13-15)27-2/h4-8,13-14H,9-12H2,1-3H3,(H,22,25)
Definition date:	2011-11-28
Last modified:	2011-12-09
Identifier:	methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate

I85

I85
Name:	N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide
Formula:	C24 H22 F3 N5 O2
SMILES:	FC(F)(F)c1cccc(c1)C(=O)Nc2nccc(c2)c5nc3c(C(=O)NCC34CNCCC4)c5
InChi:	InChI=1S/C24H22F3N5O2/c25-24(26,27)16-4-1-3-15(9-16)21(33)32-19-10-14(5-8-29-19)18-11-17-20(31-18)23(13-30-22(17)34)6-2-7-28-12-23/h1,3-5,8-11,28,31H,2,6-7,12-13H2,(H,30,34)(H,29,32,33)/t23-/m0/s1
Definition date:	2011-06-17
Last modified:	2011-12-09
Identifier:	N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide

IDL

IDL
Name:	imidazo[1,2-a]pyridin-3-ylacetic acid
Formula:	C9 H8 N2 O2
SMILES:	O=C(O)Cc1cnc2ccccn12
InChi:	InChI=1S/C9H8N2O2/c12-9(13)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6H,5H2,(H,12,13)
Definition date:	2011-11-29
Last modified:	2011-12-09
Identifier:	imidazo[1,2-a]pyridin-3-ylacetic acid

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