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1EU

1EU
Name:	1-(4-acetyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea
Formula:	C17 H17 N5 O2
SMILES:	O=C(c2cc(cc1c2nc(n1)NC(=O)NCC)c3cccnc3)C
InChi:	InChI=1S/C17H17N5O2/c1-3-19-17(24)22-16-20-14-8-12(11-5-4-6-18-9-11)7-13(10(2)23)15(14)21-16/h4-9H,3H2,1-2H3,(H3,19,20,21,22,24)
Definition date:	2009-01-21
Last modified:	2011-06-04
Identifier:	1-(4-acetyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea

BDE

BDE
Name:	N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDE
Formula:	C13 H9 Br2 N3 O3
SMILES:	O=C(NN=Cc1cc(Br)c(O)c(Br)c1O)c2cccnc2
InChi:	InChI=1S/C13H9Br2N3O3/c14-9-4-8(11(19)10(15)12(9)20)6-17-18-13(21)7-2-1-3-16-5-7/h1-6,19-20H,(H,18,21)/b17-6+
Definition date:	2006-04-10
Last modified:	2011-06-04
Identifier:	N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]pyridine-3-carbohydrazide

LHY

LHY
Name:	L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE
Formula:	C10 H12 N2 O4
SMILES:	O=C(O)C(NC(=O)NO)Cc1ccccc1
InChi:	InChI=1S/C10H12N2O4/c13-9(14)8(11-10(15)12-16)6-7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H,13,14)(H2,11,12,15)/t8-/m0/s1
Definition date:	2000-11-22
Last modified:	2011-06-04
Identifier:	N-(hydroxycarbamoyl)-L-phenylalanine

BDH

BDH
Name:	L-BETA-ASPARTYLHISTIDINE
Formula:	C10 H14 N4 O5
SMILES:	O=C(O)C(N)CC(=O)NC(C(=O)O)Cc1cncn1
InChi:	InChI=1S/C10H14N4O5/c11-6(9(16)17)2-8(15)14-7(10(18)19)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t6-,7-/m0/s1
Definition date:	2005-02-01
Last modified:	2011-06-04
Identifier:	L-beta-aspartyl-L-histidine

1F1

1F1
Name:	1H-indole-6-carboxylic acid
Formula:	C9 H7 N O2
SMILES:	O=C(O)c1ccc2c(c1)ncc2
InChi:	InChI=1S/C9H7NO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,(H,11,12)
Definition date:	2009-10-30
Last modified:	2011-06-04
Identifier:	1H-indole-6-carboxylic acid

BDJ

BDJ
Name:	(2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one
Formula:	C12 H14 Cl N3 O
SMILES:	CC1(C)NC(=N)N(Cc2cccc(Cl)c2)C1=O
InChi:	InChI=1S/C12H14ClN3O/c1-12(2)10(17)16(11(14)15-12)7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H2,14,15)
Definition date:	2010-01-11
Last modified:	2011-06-04
Identifier:	3-[(3-chlorophenyl)methyl]-2-imino-5,5-dimethyl-imidazolidin-4-one

LI3

LI3
Name:	3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE
Formula:	C19 H18 F N3 O2
SMILES:	O=C(Nc2cc1ccnc1cc2)c3cc(cc(F)c3)N4CCOCC4
InChi:	InChI=1S/C19H18FN3O2/c20-15-9-14(11-17(12-15)23-5-7-25-8-6-23)19(24)22-16-1-2-18-13(10-16)3-4-21-18/h1-4,9-12,21H,5-8H2,(H,22,24)
Definition date:	2004-11-05
Last modified:	2011-06-04
Identifier:	3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide

LI4

LI4
Name:	3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE
Formula:	C16 H14 N2 O
SMILES:	O(c1cccnc1N)Cc3c2ccccc2ccc3
InChi:	InChI=1S/C16H14N2O/c17-16-15(9-4-10-18-16)19-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H2,17,18)
Definition date:	2004-11-05
Last modified:	2011-06-04
Identifier:	3-(naphthalen-1-ylmethoxy)pyridin-2-amine

LI6

LI6
Name:	3,4-DIHYDROXY-1-METHYLQUINOLIN-2(1H)-ONE
Formula:	C10 H9 N O3
SMILES:	O=C2C(O)=C(O)c1c(cccc1)N2C
InChi:	InChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)8(12)9(13)10(11)14/h2-5,12-13H,1H3
Definition date:	2005-03-07
Last modified:	2011-06-04
Identifier:	3,4-dihydroxy-1-methylquinolin-2(1H)-one

BDO

BDO
Name:	(2Z,5R)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one
Formula:	C15 H20 Cl N3 O
SMILES:	CC(C)C[C]1(C)NC(=N)N(Cc2cccc(Cl)c2)C1=O
InChi:	InChI=1S/C15H20ClN3O/c1-10(2)8-15(3)13(20)19(14(17)18-15)9-11-5-4-6-12(16)7-11/h4-7,10H,8-9H2,1-3H3,(H2,17,18)/t15-/m1/s1
Definition date:	2010-01-11
Last modified:	2011-06-04
Identifier:	(5R)-3-[(3-chlorophenyl)methyl]-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one

LI7

LI7
Name:	(3E)-3-[(4-HYDROXYPHENYL)IMINO]-1H-INDOL-2(3H)-ONE
Formula:	C14 H10 N2 O2
SMILES:	O=C3C(=N/c1ccc(O)cc1)c2ccccc2N3
InChi:	InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)15-13-11-3-1-2-4-12(11)16-14(13)18/h1-8,17H,(H,15,16,18)
Definition date:	2005-03-07
Last modified:	2011-06-04
Identifier:	(3Z)-3-[(4-hydroxyphenyl)imino]-1,3-dihydro-2H-indol-2-one

LI9

LI9
Name:	4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
Formula:	C27 H29 F N6 O
SMILES:	Fc1ccc(cc1)C2=C(N(N(C2=O)C3CCNCC3)C)c4nc(ncc4)NC(c5ccccc5)C
InChi:	InChI=1S/C27H29FN6O/c1-18(19-6-4-3-5-7-19)31-27-30-17-14-23(32-27)25-24(20-8-10-21(28)11-9-20)26(35)34(33(25)2)22-12-15-29-16-13-22/h3-11,14,17-18,22,29H,12-13,15-16H2,1-2H3,(H,30,31,32)/t18-/m0/s1
Definition date:	2005-03-21
Last modified:	2011-06-04
Identifier:	4-(4-fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-2-piperidin-4-yl-1,2-dihydro-3H-pyrazol-3-one

BDS

BDS
Name:	2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-SUCCINIC ACID
Formula:	C20 H18 O8
SMILES:	O=C(O)C(Cc2ccc1OCOc1c2)C(C(=O)O)Cc3ccc4OCOc4c3
InChi:	InChI=1S/C20H18O8/c21-19(22)13(5-11-1-3-15-17(7-11)27-9-25-15)14(20(23)24)6-12-2-4-16-18(8-12)28-10-26-16/h1-4,7-8,13-14H,5-6,9-10H2,(H,21,22)(H,23,24)/t13-,14-/m0/s1
Definition date:	2001-07-11
Last modified:	2011-06-04
Identifier:	(2S,3S)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butanedioic acid

LIE

LIE
Name:	2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE
Formula:	C20 H16 F3 N5 O
SMILES:	Fc4cccc(F)c4Oc1ncc2nc(n(c2n1)C(C)C)Nc3ccccc3F
InChi:	InChI=1S/C20H16F3N5O/c1-11(2)28-18-16(26-19(28)25-15-9-4-3-6-12(15)21)10-24-20(27-18)29-17-13(22)7-5-8-14(17)23/h3-11H,1-2H3,(H,25,26)
Definition date:	2006-05-10
Last modified:	2011-06-04
Identifier:	2-(2,6-difluorophenoxy)-N-(2-fluorophenyl)-9-(1-methylethyl)-9H-purin-8-amine

BE0

BE0
Name:	piperidine-1-sulfonamide
Formula:	C5 H12 N2 O2 S
SMILES:	O=S(=O)(N)N1CCCCC1
InChi:	InChI=1S/C5H12N2O2S/c6-10(8,9)7-4-2-1-3-5-7/h1-5H2,(H2,6,8,9)
Definition date:	2010-03-11
Last modified:	2011-06-04
Identifier:	piperidine-1-sulfonamide

1FN

1FN
Name:	1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
Formula:	C25 H16 F2 N4 O3
SMILES:	Fc1ccc(cc1)N2C=CC=C(C2=O)C(=O)Nc5ccc(Oc3ccnc4c3ccn4)c(F)c5
InChi:	InChI=1S/C25H16F2N4O3/c26-15-3-6-17(7-4-15)31-13-1-2-19(25(31)33)24(32)30-16-5-8-22(20(27)14-16)34-21-10-12-29-23-18(21)9-11-28-23/h1-14H,(H,28,29)(H,30,32)
Definition date:	2008-03-03
Last modified:	2011-06-04
Identifier:	1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide

BE9

BE9
Name:	phenyl N-sulfamoylmorpholine-4-carboximidoate
Formula:	C11 H15 N3 O4 S
SMILES:	O=S(=O)(/N=C(Oc1ccccc1)N2CCOCC2)N
InChi:	InChI=1S/C11H15N3O4S/c12-19(15,16)13-11(14-6-8-17-9-7-14)18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,12,15,16)/b13-11-
Definition date:	2010-03-09
Last modified:	2011-06-04
Identifier:	phenyl N-sulfamoylmorpholine-4-carboximidoate

LIT

LIT
Name:	{[5-(5-NITRO-2-FURYL)-1,3,4-OXADIAZOL-2-YL]THIO}ACETIC ACID
Formula:	C8 H5 N3 O6 S
SMILES:	O=C(O)CSc1nnc(o1)c2oc([N+]([O-])=O)cc2
InChi:	InChI=1S/C8H5N3O6S/c12-6(13)3-18-8-10-9-7(17-8)4-1-2-5(16-4)11(14)15/h1-2H,3H2,(H,12,13)
Definition date:	2006-10-04
Last modified:	2011-06-04
Identifier:	{[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid

BEN

BEN
Name:	BENZAMIDINE
Formula:	C7 H8 N2
SMILES:	[N@H]=C(N)c1ccccc1
InChi:	InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	benzenecarboximidamide

LJ5

LJ5
Name:	N-(3,5-dibromo-4-hydroxyphenyl)benzamide
Formula:	C13 H9 Br2 N O2
SMILES:	Brc1cc(cc(Br)c1O)NC(=O)c2ccccc2
InChi:	InChI=1S/C13H9Br2NO2/c14-10-6-9(7-11(15)12(10)17)16-13(18)8-4-2-1-3-5-8/h1-7,17H,(H,16,18)
Definition date:	2008-03-25
Last modified:	2011-06-04
Identifier:	N-(3,5-dibromo-4-hydroxyphenyl)benzamide

1GC

1GC
Name:	2'-deoxy-5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine
Formula:	C11 H18 N5 O12 P3
SMILES:	O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
InChi:	InChI=1S/C11H18N5O12P3/c12-11-14-9-8(10(18)15-11)13-3-16(9)7-1-5(17)6(27-7)2-26-29(19,20)4-30(21,22)28-31(23,24)25/h3,5-7,17H,1-2,4H2,(H,19,20)(H,21,22)(H2,23,24,25)(H3,12,14,15,18)/t5-,6+,7+/m0/s1
Definition date:	2010-11-22
Last modified:	2011-06-04
Identifier:	2'-deoxy-5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine

BEV

BEV
Name:	N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfamide
Formula:	C3 H7 N3 O2 S2
SMILES:	O=S(=O)(/N=C1SCCN1)N
InChi:	InChI=1S/C3H7N3O2S2/c4-10(7,8)6-3-5-1-2-9-3/h1-2H2,(H,5,6)(H2,4,7,8)
Definition date:	2010-03-11
Last modified:	2011-06-04
Identifier:	N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfuric diamide

LJE

LJE
Name:	N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide
Formula:	C24 H17 F3 N4 O2
SMILES:	FC(F)(F)c1cccc(c1)C(=O)Nc4ccc(Oc2ncccc2c3ncncc3)c(c4)C
InChi:	InChI=1S/C24H17F3N4O2/c1-15-12-18(31-22(32)16-4-2-5-17(13-16)24(25,26)27)7-8-21(15)33-23-19(6-3-10-29-23)20-9-11-28-14-30-20/h2-14H,1H3,(H,31,32)
Definition date:	2010-08-02
Last modified:	2011-06-04
Identifier:	N-(3-methyl-4-{[3-(pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide

BEW

BEW
Name:	1-hydroxy-2-sulfanylpyridinium
Formula:	C5 H6 N O S
SMILES:	O[n+]1ccccc1S
InChi:	InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,7H/p+1
Definition date:	2010-03-11
Last modified:	2011-06-04
Identifier:	1-hydroxy-2-sulfanylpyridinium

BEY

BEY
Name:	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
Formula:	C19 H24 N O4 P
SMILES:	O=C(O)C(Cc1ccccc1)CP(=O)(O)C(N)CCc2ccccc2
InChi:	InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)/t17-,18+/m1/s1
Definition date:	2008-09-16
Last modified:	2011-06-04
Identifier:	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid

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