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P2T

P2T
Name:	2'-O-PROPYL THYMIDINE-5-MONOPHOSPHATE
Formula:	C13 H21 N2 O9 P
SMILES:	O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCC)COP(=O)(O)O
InChi:	InChI=1S/C13H21N2O9P/c1-3-4-22-10-9(16)8(6-23-25(19,20)21)24-12(10)15-5-7(2)11(17)14-13(15)18/h5,8-10,12,16H,3-4,6H2,1-2H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1
Definition date:	2004-12-17
Last modified:	2011-06-04
Identifier:	5-methyl-2'-O-propyluridine 5'-(dihydrogen phosphate)

TYN

TYN
Name:	AMINOBENZOFURAZAN-O-TYROSINE
Formula:	C15 H16 N4 O4
SMILES:	O=C(O)C(N)Cc3ccc(Oc2ccc(c1NONc12)N)cc3
InChi:	InChI=1S/C15H16N4O4/c16-10-5-6-12(14-13(10)18-23-19-14)22-9-3-1-8(2-4-9)7-11(17)15(20)21/h1-6,11,18-19H,7,16-17H2,(H,20,21)/t11-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	O-(7-amino-1,3-dihydro-2,1,3-benzoxadiazol-4-yl)-L-tyrosine

P2U

P2U
Name:	2'-DEOXY-PSEUDOURIDINE-5'MONOPHOSPHATE
Formula:	C9 H13 N2 O8 P
SMILES:	O=P(OCC2OC(C1=CNC(=O)NC1=O)CC2O)(O)O
InChi:	InChI=1S/C9H13N2O8P/c12-5-1-6(4-2-10-9(14)11-8(4)13)19-7(5)3-18-20(15,16)17/h2,5-7,12H,1,3H2,(H2,15,16,17)(H2,10,11,13,14)/t5-,6+,7+/m0/s1
Definition date:	2000-03-23
Last modified:	2011-06-04
Identifier:	(1R)-1,4-anhydro-2-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-erythro-pentitol

UDP

UDP
Name:	URIDINE-5'-DIPHOSPHATE
Formula:	C9 H14 N2 O12 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
InChi:	InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	uridine 5'-(trihydrogen diphosphate)

PHR

PHR
Name:	3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL ) HEXANE 1-PHOSPHATE
Formula:	C16 H27 N4 O11 P
SMILES:	O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCCCCOP(=O)(O)O)CC(O)C(O)C(O)CO
InChi:	InChI=1S/C16H27N4O11P/c21-8-10(23)12(24)9(22)7-20-13-11(14(25)18-15(26)17-13)19(16(20)27)5-3-1-2-4-6-31-32(28,29)30/h9-10,12,21-24H,1-8H2,(H2,28,29,30)(H2,17,18,25,26)/t9-,10-,12+/m1/s1
Definition date:	2005-12-09
Last modified:	2011-06-04
Identifier:	1-deoxy-1-{2,6,8-trioxo-7-[6-(phosphonooxy)hexyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol

ZZW

ZZW
Name:	9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide
Formula:	C19 H14 F N3 O2
SMILES:	Fc1ccc(cc1)Cn3c4c(c2cc(ncc23)C(=O)NO)cccc4
InChi:	InChI=1S/C19H14FN3O2/c20-13-7-5-12(6-8-13)11-23-17-4-2-1-3-14(17)15-9-16(19(24)22-25)21-10-18(15)23/h1-10,25H,11H2,(H,22,24)
Definition date:	2010-10-04
Last modified:	2011-06-04
Identifier:	9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide

XG4

XG4
Name:	2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine
Formula:	C10 H17 N6 O12 P3
SMILES:	O=P(O)(O)OP(=O)(O)NP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
InChi:	InChI=1S/C10H17N6O12P3/c11-10-13-8-7(9(18)14-10)12-3-16(8)6-1-4(17)5(27-6)2-26-29(19,20)15-30(21,22)28-31(23,24)25/h3-6,17H,1-2H2,(H2,23,24,25)(H3,11,13,14,18)(H3,15,19,20,21,22)/t4-,5+,6+/m0/s1
Definition date:	2010-06-21
Last modified:	2011-06-04
Identifier:	2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine

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

NF2

NF2
Name:	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-5-METHYLPHENYL)-5-O-PHOSPHONO-D-RIBITOL
Formula:	C12 H15 F2 O7 P
SMILES:	O=P(OCC2OC(c1cc(c(F)cc1F)C)C(O)C2O)(O)O
InChi:	InChI=1S/C12H15F2O7P/c1-5-2-6(8(14)3-7(5)13)12-11(16)10(15)9(21-12)4-20-22(17,18)19/h2-3,9-12,15-16H,4H2,1H3,(H2,17,18,19)/t9-,10-,11-,12+/m1/s1
Definition date:	2006-03-07
Last modified:	2011-06-04
Identifier:	(1S)-1,4-anhydro-1-(2,4-difluoro-5-methylphenyl)-5-O-phosphono-D-ribitol

01G

01G
Name:	8-morpholin-4-ylguanosine 5'-(tetrahydrogen triphosphate)
Formula:	C14 H23 N6 O15 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2c(nc1c2N=C(N)NC1=O)N3CCOCC3)C(O)C4O
InChi:	InChI=1S/C14H23N6O15P3/c15-13-17-10-7(11(23)18-13)16-14(19-1-3-31-4-2-19)20(10)12-9(22)8(21)6(33-12)5-32-37(27,28)35-38(29,30)34-36(24,25)26/h6,8-9,12,21-22H,1-5H2,(H,27,28)(H,29,30)(H2,24,25,26)(H3,15,17,18,23)/t6-,8-,9-,12-/m1/s1
Definition date:	2007-09-18
Last modified:	2011-06-04
Identifier:	8-morpholin-4-ylguanosine 5'-(tetrahydrogen triphosphate)

X17

X17
Name:	(5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one
Formula:	C22 H29 N3 O2
SMILES:	O=C1N(C(=NC1(c2ccc(OC)c(c2)C)C53CC4CC(CC(C3)C4)C5)N)C
InChi:	InChI=1S/C22H29N3O2/c1-13-6-17(4-5-18(13)27-3)22(19(26)25(2)20(23)24-22)21-10-14-7-15(11-21)9-16(8-14)12-21/h4-6,14-16H,7-12H2,1-3H3,(H2,23,24)/t14-,15+,16-,21-,22-/m0/s1
Definition date:	2009-08-21
Last modified:	2011-06-04
Identifier:	(5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one

PHT

PHT
Name:	PHTHALIC ACID
Formula:	C8 H6 O4
SMILES:	O=C(O)c1ccccc1C(=O)O
InChi:	InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	benzene-1,2-dicarboxylic acid

ZZY

ZZY
Name:	1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE
Formula:	C14 H10 N4 O5 S
SMILES:	[O-][N+](=O)c1ccccc1S(=O)(=O)n3c2cc(cnc2cc3)C(=O)N
InChi:	InChI=1S/C14H10N4O5S/c15-14(19)9-7-12-10(16-8-9)5-6-17(12)24(22,23)13-4-2-1-3-11(13)18(20)21/h1-8H,(H2,15,19)
Definition date:	2009-03-19
Last modified:	2011-06-04
Identifier:	1-[(2-nitrophenyl)sulfonyl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide

UDS

UDS
Name:	N-[(3-HYDROXYQUINOLIN-2-YL)CARBONYL]-D-SERINE
Formula:	C13 H12 N2 O5
SMILES:	O=C(O)C(NC(=O)c1nc2ccccc2cc1O)CO
InChi:	InChI=1S/C13H12N2O5/c16-6-9(13(19)20)15-12(18)11-10(17)5-7-3-1-2-4-8(7)14-11/h1-5,9,16-17H,6H2,(H,15,18)(H,19,20)/t9-/m1/s1
Definition date:	2010-07-14
Last modified:	2011-06-04
Identifier:	N-[(3-hydroxyquinolin-2-yl)carbonyl]-D-serine

T5P

T5P
Name:	3-{2,6,8-TRIOXO-9-[(2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}PROPYL DIHYDROGEN PHOSPHATE
Formula:	C13 H21 N4 O11 P
SMILES:	O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCOP(=O)(O)O)CC(O)C(O)C(O)CO
InChi:	InChI=1S/C13H21N4O11P/c18-5-7(20)9(21)6(19)4-17-10-8(11(22)15-12(23)14-10)16(13(17)24)2-1-3-28-29(25,26)27/h6-7,9,18-21H,1-5H2,(H2,25,26,27)(H2,14,15,22,23)/t6-,7+,9-/m0/s1
Definition date:	2004-06-18
Last modified:	2011-06-04
Identifier:	1-deoxy-1-{2,6,8-trioxo-7-[3-(phosphonooxy)propyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-ribitol

01I

01I
Name:	naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid
Formula:	C16 H8 O6
SMILES:	O=C(O)c1oc4c(c1)c3cc2oc(cc2cc3cc4)C(=O)O
InChi:	InChI=1S/C16H8O6/c17-15(18)13-4-8-3-7-1-2-11-10(6-14(21-11)16(19)20)9(7)5-12(8)22-13/h1-6H,(H,17,18)(H,19,20)
Definition date:	2010-03-26
Last modified:	2011-06-04
Identifier:	naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid

P32

P32
Name:	4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile
Formula:	C16 H21 N3 O2
SMILES:	N#CC2=Nc1cccc(OCC(O)CNC(C)(C)C)c1C2
InChi:	InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-6,12,18,20H,7,9-10H2,1-3H3/t12-/m0/s1
Definition date:	2008-05-09
Last modified:	2011-06-04
Identifier:	4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile

XGA

XGA
Name:	6-AMINO-3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-3,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Formula:	C14 H16 N5 O7 P
SMILES:	O=C2c3cc1ncn(c1cc3N=C(N)N2)C4OC(C(O)C4)COP(=O)(O)O
InChi:	InChI=1S/C14H16N5O7P/c15-14-17-7-2-9-8(1-6(7)13(21)18-14)16-5-19(9)12-3-10(20)11(26-12)4-25-27(22,23)24/h1-2,5,10-12,20H,3-4H2,(H2,22,23,24)(H3,15,17,18,21)/t10-,11+,12+/m0/s1
Definition date:	2006-09-26
Last modified:	2011-06-04
Identifier:	6-amino-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

K5E

K5E
Name:	(4S,5R)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
Formula:	C14 H16 N2 O2 S
SMILES:	S=C3NC1=C(C(O)CCC1)C(c2cccc(O)c2)N3
InChi:	InChI=1S/C14H16N2O2S/c17-9-4-1-3-8(7-9)13-12-10(15-14(19)16-13)5-2-6-11(12)18/h1,3-4,7,11,13,17-18H,2,5-6H2,(H2,15,16,19)/t11-,13+/m1/s1
Definition date:	2009-10-08
Last modified:	2011-06-04
Identifier:	(4S,5R)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione

T5S

T5S
Name:	2'-deoxy-5-(methylselanyl)uridine 5'-phosphate
Formula:	C10 H15 N2 O8 P Se
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C([Se]C)=C1)CC2O
InChi:	InChI=1S/C10H15N2O8PSe/c1-22-7-3-12(10(15)11-9(7)14)8-2-5(13)6(20-8)4-19-21(16,17)18/h3,5-6,8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,6+,8+/m0/s1
Definition date:	2007-12-27
Last modified:	2011-06-04
Identifier:	2'-deoxy-5-(methylselanyl)uridine 5'-(dihydrogen phosphate)

5NI

5NI
Name:	5-NITROINDAZOLE
Formula:	C7 H5 N3 O2
SMILES:	[O-][N+](=O)c1cc2c(cc1)nnc2
InChi:	InChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)
Definition date:	2002-07-26
Last modified:	2011-06-04
Identifier:	5-nitro-1H-indazole

TYX

TYX
Name:	S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE
Formula:	C11 H14 N2 O3 S
SMILES:	O=C(Nc1ccccc1)CSCC(C(=O)O)N
InChi:	InChI=1S/C11H14N2O3S/c12-9(11(15)16)6-17-7-10(14)13-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
Definition date:	2007-05-07
Last modified:	2011-06-04
Identifier:	S-[2-oxo-2-(phenylamino)ethyl]-L-cysteine

PHY

PHY
Name:	1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHOSPHORYL-PHOSPHINIC ACID
Formula:	C6 H15 N O7 P2
SMILES:	O=P(OP(=O)(O)O)(C(N)C)CC(C(=O)O)C
InChi:	InChI=1S/C6H15NO7P2/c1-4(6(8)9)3-15(10,5(2)7)14-16(11,12)13/h4-5H,3,7H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-,15+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2R)-3-[(R)-[(1S)-1-aminoethyl](phosphonooxy)phosphoryl]-2-methylpropanoic acid

NTM

NTM
Name:	QUINOLINIC ACID
Formula:	C7 H5 N O4
SMILES:	O=C(O)c1ncccc1C(=O)O
InChi:	InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	pyridine-2,3-dicarboxylic acid

URA

URA
Name:	URACIL
Formula:	C4 H4 N2 O2
SMILES:	O=C1C=CNC(=O)N1
InChi:	InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	pyrimidine-2,4(1H,3H)-dione

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