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LPX

LPX
Name:	(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate
Formula:	C21 H44 N O7 P
SMILES:	O=C(OCC(O)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m0/s1
Definition date:	2008-05-01
Last modified:	2011-06-04
Identifier:	(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate

1P5

1P5
Name:	(3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
Formula:	C20 H26 N8 O
SMILES:	O=C(N(CC)CC)C4CCCN(c3ncnc(c1c2ncccn2nc1N)c3)C4
InChi:	InChI=1S/C20H26N8O/c1-3-26(4-2)20(29)14-7-5-9-27(12-14)16-11-15(23-13-24-16)17-18(21)25-28-10-6-8-22-19(17)28/h6,8,10-11,13-14H,3-5,7,9,12H2,1-2H3,(H2,21,25)/t14-/m0/s1
Definition date:	2009-08-17
Last modified:	2011-06-04
Identifier:	(3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide

1P6

1P6
Name:	3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
Formula:	C18 H16 F N7
SMILES:	Fc1ccc(cc1)C(Nc4ncnc(c2c3ncccn3nc2N)c4)C
InChi:	InChI=1S/C18H16FN7/c1-11(12-3-5-13(19)6-4-12)24-15-9-14(22-10-23-15)16-17(20)25-26-8-2-7-21-18(16)26/h2-11H,1H3,(H2,20,25)(H,22,23,24)/t11-/m0/s1
Definition date:	2009-08-19
Last modified:	2011-06-04
Identifier:	3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine

LRG

LRG
Name:	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
Formula:	C21 H18 O3
SMILES:	O=C(O)C(Oc1ccc(cc1)c2ccccc2)Cc3ccccc3
InChi:	InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1
Definition date:	2007-10-24
Last modified:	2011-06-04
Identifier:	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid

1PI

1PI
Name:	(3R)-3-[(2S)-2-amino-3-oxopropyl]piperidine-1-carboximidamide
Formula:	C9 H18 N4 O
SMILES:	O=CC(N)CC1CCCN(C(=[N@H])N)C1
InChi:	InChI=1S/C9H18N4O/c10-8(6-14)4-7-2-1-3-13(5-7)9(11)12/h6-8H,1-5,10H2,(H3,11,12)/t7-,8+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(3R)-3-[(2S)-2-amino-3-oxopropyl]piperidine-1-carboximidamide

1PR

1PR
Name:	PHOSPHORIC ACID MONO-[5-({[5-CARBAMOYL-3-(5-PHOSPHONOOXY-5-DEOXY-RIBOFURANOSYL)- 3H-IMIDAZOL-4-YLAMINO]-METHYL}-AMINO)-2,3,4-TRIHYDROXY-PENTYL] ESTER
Formula:	C15 H29 N5 O15 P2
SMILES:	NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c1NCNC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
InChi:	InChI=1S/C15H29N5O15P2/c16-13(26)9-14(18-4-17-1-6(21)10(23)7(22)2-33-36(27,28)29)20(5-19-9)15-12(25)11(24)8(35-15)3-34-37(30,31)32/h5-8,10-12,15,17-18,21-25H,1-4H2,(H2,16,26)(H2,27,28,29)(H2,30,31,32)/t6?,7-,8-,10+,11-,12-,15-/m1/s1
Definition date:	2003-04-10
Last modified:	2011-06-04
Identifier:	[(2R,3S)-5-[[[5-aminocarbonyl-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]amino]methylamino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate

LS3

LS3
Name:	3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE
Formula:	C20 H15 N3 O4 S
SMILES:	O=C3Nc2ccc(c1ocnc1)cc2/C3=C/Nc4ccc5c(c4)CS(=O)(=O)C5
InChi:	InChI=1S/C20H15N3O4S/c24-20-17(7-22-15-3-1-13-9-28(25,26)10-14(13)5-15)16-6-12(2-4-18(16)23-20)19-8-21-11-27-19/h1-8,11,22H,9-10H2,(H,23,24)/b17-7-
Definition date:	2001-11-21
Last modified:	2011-06-04
Identifier:	(3Z)-3-{[(2,2-dioxido-1,3-dihydro-2-benzothiophen-5-yl)amino]methylidene}-5-(1,3-oxazol-5-yl)-1,3-dihydro-2H-indol-2-one

LS4

LS4
Name:	4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE
Formula:	C18 H14 N4 O3 S2
SMILES:	O=S(=O)(Nc1nccs1)c4ccc(N/C=C3/c2ccccc2NC3=O)cc4
InChi:	InChI=1S/C18H14N4O3S2/c23-17-15(14-3-1-2-4-16(14)21-17)11-20-12-5-7-13(8-6-12)27(24,25)22-18-19-9-10-26-18/h1-11,20H,(H,19,22)(H,21,23)/b15-11-
Definition date:	2001-11-19
Last modified:	2011-06-04
Identifier:	4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-1,3-thiazol-2-ylbenzenesulfonamide

LS5

LS5
Name:	3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE
Formula:	C16 H15 N5 O3 S
SMILES:	O=S(=O)(NC(=[N@H])N)c1ccc(cc1)N/C=C3/c2ccccc2NC3=O
InChi:	InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,19H,(H,20,22)(H4,17,18,21)/b13-9-
Definition date:	2001-11-21
Last modified:	2011-06-04
Identifier:	N-carbamimidoyl-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide

LSG

LSG
Name:	5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-1H-pyrrole-3-carboxamide
Formula:	C16 H17 F I N3 O4
SMILES:	Ic1ccc(c(F)c1)Nc2c(cc(C(=O)C)n2C)C(=O)NOCCO
InChi:	InChI=1S/C16H17FIN3O4/c1-9(23)14-8-11(16(24)20-25-6-5-22)15(21(14)2)19-13-4-3-10(18)7-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,24)
Definition date:	2010-04-08
Last modified:	2011-06-04
Identifier:	5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-1H-pyrrole-3-carboxamide

1IT

1IT
Name:	DIBENZOFURAN
Formula:	C12 H8 O
SMILES:	o2c1ccccc1c3c2cccc3
InChi:	InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
Definition date:	2011-04-06
Last modified:	2011-06-04
Identifier:	dibenzo[b,d]furan

LSW

LSW
Name:	N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-tryptophan
Formula:	C27 H34 N4 O5
SMILES:	NCCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(O)=O
InChi:	InChI=1S/C27H34N4O5/c28-15-7-6-12-22(30-23(26(33)34)14-13-18-8-2-1-3-9-18)25(32)31-24(27(35)36)16-19-17-29-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,29-30H,6-7,12-16,28H2,(H,31,32)(H,33,34)(H,35,36)/t22-,23-,24-/m0/s1
Definition date:	2010-02-23
Last modified:	2011-06-04
Identifier:	(2S)-2-[[(2S)-6-azanyl-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]amino]-1-oxo-hexan-2-yl]amino]-4-phenyl-butanoic acid

LT1

LT1
Name:	(3-chloropropyl)benzene
Formula:	C9 H11 Cl
SMILES:	ClCCCc1ccccc1
InChi:	InChI=1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
Definition date:	2009-02-17
Last modified:	2011-06-04
Identifier:	(3-chloropropyl)benzene

LT2

LT2
Name:	(3S)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione
Formula:	C8 H7 N O3
SMILES:	O=C1C=C2C(=CC1=O)NCC2O
InChi:	InChI=1S/C8H7NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1-2,8-9,12H,3H2/t8-/m1/s1
Definition date:	2009-05-08
Last modified:	2011-06-04
Identifier:	(3S)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione

LT3

LT3
Name:	(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine
Formula:	C12 H12 F3 N
SMILES:	FC(F)(F)c1cccc2c1C3CCC2C3N
InChi:	InChI=1S/C12H12F3N/c13-12(14,15)9-3-1-2-6-7-4-5-8(10(6)9)11(7)16/h1-3,7-8,11H,4-5,16H2/t7-,8+,11-/m0/s1
Definition date:	2009-05-08
Last modified:	2011-06-04
Identifier:	(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine

LT6

LT6
Name:	2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide
Formula:	C23 H29 F N2 O4
SMILES:	CCCCN(C)C(=O)c1c(F)cccc1OCC(=O)N[CH](CO)Cc2ccccc2
InChi:	InChI=1S/C23H29FN2O4/c1-3-4-13-26(2)23(29)22-19(24)11-8-12-20(22)30-16-21(28)25-18(15-27)14-17-9-6-5-7-10-17/h5-12,18,27H,3-4,13-16H2,1-2H3,(H,25,28)/t18-/m0/s1
Definition date:	2010-02-03
Last modified:	2011-06-04
Identifier:	N-butyl-2-fluoro-6-[2-[[(2S)-1-hydroxy-3-phenyl-propan-2-yl]amino]-2-oxo-ethoxy]-N-methyl-benzamide

LTN

LTN
Name:	L-TRYPTOPHANAMIDE
Formula:	C11 H13 N3 O
SMILES:	O=C(N)C(N)Cc2c1ccccc1nc2
InChi:	InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1
Definition date:	2002-08-08
Last modified:	2011-06-04
Identifier:	L-tryptophanamide

1JZ

1JZ
Name:	1-[4-(hydroxymethyl)phenyl]guanidine
Formula:	C8 H11 N3 O
SMILES:	[N@H]=C(Nc1ccc(cc1)CO)N
InChi:	InChI=1S/C8H11N3O/c9-8(10)11-7-3-1-6(5-12)2-4-7/h1-4,12H,5H2,(H4,9,10,11)
Definition date:	2009-01-30
Last modified:	2011-06-04
Identifier:	1-[4-(hydroxymethyl)phenyl]guanidine

1SC

1SC
Name:	5'-O-THIOPHOSPHONOCYTIDINE
Formula:	C9 H14 N3 O7 P S
SMILES:	O=P(O)(S)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
InChi:	InChI=1S/C9H14N3O7PS/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1
Definition date:	2006-10-19
Last modified:	2011-06-04
Identifier:	5'-O-thiophosphonocytidine

LUG

LUG
Name:	N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine
Formula:	C16 H13 F3 I N5 O
SMILES:	Ic1ccc(c(F)c1)Nc3c(F)c(F)ccc3c2nnc(o2)NCCN
InChi:	InChI=1S/C16H13F3IN5O/c17-10-3-2-9(15-24-25-16(26-15)22-6-5-21)14(13(10)19)23-12-4-1-8(20)7-11(12)18/h1-4,7,23H,5-6,21H2,(H,22,25)
Definition date:	2008-10-01
Last modified:	2011-06-04
Identifier:	N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine

1SP

1SP
Name:	(2S)-pentane-1,2-diol
Formula:	C5 H12 O2
SMILES:	OCC(O)CCC
InChi:	InChI=1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3/t5-/m0/s1
Definition date:	2009-03-27
Last modified:	2011-06-04
Identifier:	(2S)-pentane-1,2-diol

1LI

1LI
Name:	N-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
Formula:	C28 H38 F2 N2 O2
SMILES:	Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)CNC3(c2cccc(c2)C(C)(C)C)CCCCC3
InChi:	InChI=1S/C28H38F2N2O2/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(11-6-5-7-12-28)22-10-8-9-21(16-22)27(2,3)4/h8-10,13-14,16-17,25-26,31,34H,5-7,11-12,15,18H2,1-4H3,(H,32,33)/t25-,26+/m0/s1
Definition date:	2009-09-22
Last modified:	2011-06-04
Identifier:	N-[(2S,3R)-4-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide

1U4

1U4
Name:	N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-phenylalanyl-L-leucine
Formula:	C24 H32 N3 O7 P
SMILES:	O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)Cc2ccccc2)CC(C)C
InChi:	InChI=1S/C24H32N3O7P/c1-17(2)13-21(23(29)30)26-22(28)20(14-18-9-5-3-6-10-18)27-35(32,33)16-25-24(31)34-15-19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3,(H,25,31)(H,26,28)(H,29,30)(H2,27,32,33)/t20-,21-/m0/s1
Definition date:	2009-01-27
Last modified:	2011-06-04
Identifier:	N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-phenylalanyl-L-leucine

1MG

1MG
Name:	1N-METHYLGUANOSINE-5'-MONOPHOSPHATE
Formula:	C11 H16 N5 O8 P
SMILES:	O=C1c2ncn(c2N=C(N)N1C)C3OC(C(O)C3O)COP(=O)(O)O
InChi:	InChI=1S/C11H16N5O8P/c1-15-9(19)5-8(14-11(15)12)16(3-13-5)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	1-methylguanosine 5'-(dihydrogen phosphate)

LWG

LWG
Name:	6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Formula:	C10 H4 Cl2 N2 O S
SMILES:	Clc2c3sc1c(N=CNC1=O)c3c(Cl)cc2
InChi:	InChI=1S/C10H4Cl2N2OS/c11-4-1-2-5(12)8-6(4)7-9(16-8)10(15)14-3-13-7/h1-3H,(H,13,14,15)
Definition date:	2009-09-22
Last modified:	2011-06-04
Identifier:	6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

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