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BS2

BS2
Name:	(3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE
Formula:	C29 H32 N O
SMILES:	O(C3c1ccccc1CCc2ccccc23)C6CC5[NH+](Cc4ccccc4)C(CC5)C6
InChi:	InChI=1S/C29H31NO/c1-2-8-21(9-3-1)20-30-24-16-17-25(30)19-26(18-24)31-29-27-12-6-4-10-22(27)14-15-23-11-5-7-13-28(23)29/h1-13,24-26,29H,14-20H2/p+1/t24-,25+,26+
Definition date:	2009-01-16
Last modified:	2011-06-04
Identifier:	(3-endo,8-anti)-8-benzyl-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-azoniabicyclo[3.2.1]octane

UFO

UFO
Name:	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine
Formula:	C11 H17 N3
SMILES:	c2c(cc1c(N(CCN1C)C)c2)CN
InChi:	InChI=1S/C11H17N3/c1-13-5-6-14(2)11-7-9(8-12)3-4-10(11)13/h3-4,7H,5-6,8,12H2,1-2H3
Definition date:	2009-03-26
Last modified:	2011-06-04
Identifier:	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine

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

ALG

ALG
Name:	4-carbamimidamidobutanoic acid
Formula:	C5 H11 N3 O2
SMILES:	O=C(O)CCCNC(=[N@H])N
InChi:	InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-carbamimidamidobutanoic acid

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

ZZ9

ZZ9
Name:	5'-O-[(S)-hydroxy{[(1R)-1-hydroxyundecyl]oxy}phosphoryl]adenosine
Formula:	C21 H36 N5 O8 P
SMILES:	O=P(O)(OC(O)CCCCCCCCCC)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C21H36N5O8P/c1-2-3-4-5-6-7-8-9-10-15(27)34-35(30,31)32-11-14-17(28)18(29)21(33-14)26-13-25-16-19(22)23-12-24-20(16)26/h12-15,17-18,21,27-29H,2-11H2,1H3,(H,30,31)(H2,22,23,24)/t14-,15-,17-,18-,21-/m1/s1
Definition date:	2009-05-19
Last modified:	2011-06-04
Identifier:	5'-O-[(S)-hydroxy{[(1R)-1-hydroxyundecyl]oxy}phosphoryl]adenosine

OS1

OS1
Name:	Ruthenium octasporine
Formula:	C24 H16 Cl N6 O3 Ru
SMILES:	Nc1cn2\|[Ru]\|3(Cl)(\|[C-]#[O+])(NCc4ccccn\|34)n5c6ccccc6c7c5c2c(c1)c8C(=O)NC(=O)c78
InChi:	InChI=1S/C17H10N4O2.C6H7N2.CO.ClH.Ru/c18-7-5-9-12-13(17(23)21-16(12)22)11-8-3-1-2-4-10(8)20-15(11)14(9)19-6-7
Definition date:	2010-12-09
Last modified:	2011-06-04

STS

STS
Name:	2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM
Formula:	C15 H16 N3 S
SMILES:	SCC(c2nc1c[nH+]ccc1n2)Cc3ccccc3
InChi:	InChI=1S/C15H15N3S/c19-10-12(8-11-4-2-1-3-5-11)15-17-13-6-7-16-9-14(13)18-15/h1-7,9,12,19H,8,10H2,(H,17,18)/p+1/t12-/m1/s1
Definition date:	2005-01-12
Last modified:	2011-06-04
Identifier:	2-[(1S)-1-benzyl-2-sulfanylethyl]-1H-imidazo[4,5-c]pyridin-5-ium

ZZA

ZZA
Name:	1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
Formula:	C10 H8 N2 O2
SMILES:	O=C(O)c1cn(nc1)c2ccccc2
InChi:	InChI=1S/C10H8N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H,(H,13,14)
Definition date:	2007-09-27
Last modified:	2011-06-04
Identifier:	1-phenyl-1H-pyrazole-4-carboxylic acid

UFR

UFR
Name:	2'-DEOXY-5-FORMYLURIDINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:	C10 H13 N2 O9 P
SMILES:	O=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C10H13N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2-3,6-8,14H,1,4H2,(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
Definition date:	2006-10-19
Last modified:	2011-06-04
Identifier:	2'-deoxy-5-formyluridine 5'-(dihydrogen phosphate)

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

ZZB

ZZB
Name:	[(1S,3S,5R,6R,8R)-6-(6-AMINOPURIN-9-YL)-4'-ETHYLAMINO-3'-FLUORO-SPIRO[2,4,7-TRIOXA-3-BORANUIDABICYCLO[3.3.0]OCTANE-3,7'-8-OXA-7-BORANUIDABICYCLO[4.3.0]NONA-1,3,5-TRIENE]-8-YL]METHYL DIHYDROGEN PHOSPHATE
Formula:	C19 H22 B F N6 O8 P
SMILES:	CCNc1cc2c(CO[B-]23O[CH]4[CH](CO[P](O)(O)=O)O[CH]([CH]4O3)n5cnc6c(N)ncnc56)cc1F
InChi:	InChI=1S/C19H22BFN6O8P/c1-2-23-12-4-10-9(3-11(12)21)5-31-20(10)34-15-13(6-32-36(28,29)30)33-19(16(15)35-20)27-8-26-14-17(22)24-7-25-18(14)27/h3-4,7-8,13,15-16,19,23H,2,5-6H2,1H3,(H2,22,24,25)(H2,28,29,30)/q-1/t13-,15-,16-,19-,20+/m1/s1
Definition date:	2009-04-06
Last modified:	2011-06-04
Identifier:	[(1S,3S,5R,6R,8R)-6-(6-aminopurin-9-yl)-4'-ethylamino-3'-fluoro-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate

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

STU

STU
Name:	STAUROSPORINE
Formula:	C28 H26 N4 O3
SMILES:	O=C5NCc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC(NC)C8OC)C
InChi:	InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-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

UTP

UTP
Name:	URIDINE 5'-TRIPHOSPHATE
Formula:	C9 H15 N2 O15 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
InChi:	InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:	2002-03-27
Last modified:	2011-06-04
Identifier:	uridine 5'-(tetrahydrogen triphosphate)

XY3

XY3
Name:	5-[(5-{[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1H-imidazole-2-carboxamide
Formula:	C29 H31 F3 N6 O3
SMILES:	O=C(N)c4ncc(C#Cc1c(ccc(c1)C(=O)Nc2ccc(c(c2)C(F)(F)F)CN3CCN(CCO)CC3)C)n4C
InChi:	InChI=1S/C29H31F3N6O3/c1-19-3-4-21(15-20(19)6-8-24-17-34-27(26(33)40)36(24)2)28(41)35-23-7-5-22(25(16-23)29(30,31)32)18-38-11-9-37(10-12-38)13-14-39/h3-5,7,15-17,39H,9-14,18H2,1-2H3,(H2,33,40)(H,35,41)
Definition date:	2010-09-23
Last modified:	2011-06-04
Identifier:	5-[(5-{[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1H-imidazole-2-carboxamide

N4T

N4T
Name:	(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-2-OXOETHANAMINE
Formula:	C21 H20 F2 N2 O
SMILES:	O=C(N2CC(=CC2c1ccccc1)c3cc(F)ccc3F)C(N)C4CC4
InChi:	InChI=1S/C21H20F2N2O/c22-16-8-9-18(23)17(11-16)15-10-19(13-4-2-1-3-5-13)25(12-15)21(26)20(24)14-6-7-14/h1-5,8-11,14,19-20H,6-7,12,24H2/t19-,20-/m0/s1
Definition date:	2006-01-17
Last modified:	2011-06-04
Identifier:	(1S)-1-cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2-oxoethanamine

BSB

BSB
Name:	N-BENZYL-4-SULFAMOYL-BENZAMIDE
Formula:	C14 H14 N2 O3 S
SMILES:	O=S(=O)(N)c2ccc(C(=O)NCc1ccccc1)cc2
InChi:	InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
Definition date:	2000-10-30
Last modified:	2011-06-04
Identifier:	N-benzyl-4-sulfamoylbenzamide

ZZH

ZZH
Name:	(2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid
Formula:	C22 H20 O3
SMILES:	O=C(O)C(Oc1ccc(cc1)Cc2ccccc2)Cc3ccccc3
InChi:	InChI=1S/C22H20O3/c23-22(24)21(16-18-9-5-2-6-10-18)25-20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,23,24)/t21-/m0/s1
Definition date:	2009-06-04
Last modified:	2011-06-04
Identifier:	(2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid

OSA

OSA
Name:	7-amino-4-hydroxy-3-[(E)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
Formula:	C20 H15 N3 O8 S2
SMILES:	O=S(=O)(O)c4cc3cc(/N=N/c2c(O)c1c(cc(cc1)N)cc2S(=O)(=O)O)ccc3c(O)c4
InChi:	InChI=1S/C20H15N3O8S2/c21-12-1-3-16-10(5-12)8-18(33(29,30)31)19(20(16)25)23-22-13-2-4-15-11(6-13)7-14(9-17(15)24)32(26,27)28/h1-9,24-25H,21H2,(H,26,27,28)(H,29,30,31)/b23-22+
Definition date:	2010-06-02
Last modified:	2011-06-04
Identifier:	7-amino-4-hydroxy-3-[(E)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic 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

ALR

ALR
Name:	ALRESTATIN
Formula:	C14 H9 N O4
SMILES:	O=C2c1c3c(ccc1)cccc3C(=O)N2CC(=O)O
InChi:	InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid

ZZK

ZZK
Name:	4-[2-AMINO-5-(1,3-BENZODIOXOL-4-YL)PYRIDIN-3-YL]BENZAMIDE
Formula:	C19 H15 N3 O3
SMILES:	O=C(N)c1ccc(cc1)c4cc(c2cccc3OCOc23)cnc4N
InChi:	InChI=1S/C19H15N3O3/c20-18-15(11-4-6-12(7-5-11)19(21)23)8-13(9-22-18)14-2-1-3-16-17(14)25-10-24-16/h1-9H,10H2,(H2,20,22)(H2,21,23)
Definition date:	2009-09-15
Last modified:	2011-06-04
Identifier:	4-[2-amino-5-(1,3-benzodioxol-4-yl)pyridin-3-yl]benzamide

ZZL

ZZL
Name:	4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID
Formula:	C25 H15 Cl F2 N4 O2
SMILES:	Fc5cccc(F)c5C2=NCc1cnc(nc1c3ccc(Cl)cc23)Nc4ccc(C(=O)O)cc4
InChi:	InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
Definition date:	2009-09-22
Last modified:	2011-06-04
Identifier:	4-{[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}benzoic acid

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