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TMS

TMS
Name:	N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-PHENYL)-VINYL]-BENZAMIDE
Formula:	C21 H25 N O5
SMILES:	O=C(NCCCO)c1ccc(cc1)C=Cc2cc(OC)c(OC)c(OC)c2
InChi:	InChI=1S/C21H25NO5/c1-25-18-13-16(14-19(26-2)20(18)27-3)6-5-15-7-9-17(10-8-15)21(24)22-11-4-12-23/h5-10,13-14,23H,4,11-12H2,1-3H3,(H,22,24)/b6-5+
Definition date:	2004-08-17
Last modified:	2011-06-04
Identifier:	N-(3-hydroxypropyl)-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzamide

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)

U19

U19
Name:	5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE
Formula:	C10 H7 F3 N6
SMILES:	FC(F)(F)c2c(/N=N/C=1C(=[N@H])N=NC=1N)cccc2
InChi:	InChI=1S/C10H7F3N6/c11-10(12,13)5-3-1-2-4-6(5)16-17-7-8(14)18-19-9(7)15/h1-4,14H,15H2/b14-8-,17-16+
Definition date:	2006-04-03
Last modified:	2011-06-04
Identifier:	(3Z)-3-imino-4-{(E)-[2-(trifluoromethyl)phenyl]diazenyl}-3H-pyrazol-5-amine

PYY

PYY
Name:	D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE
Formula:	C11 H15 O7 P
SMILES:	O=P(OCC2OC(c1ccccc1)C(O)C2O)(O)O
InChi:	InChI=1S/C11H15O7P/c12-9-8(6-17-19(14,15)16)18-11(10(9)13)7-4-2-1-3-5-7/h1-5,8-13H,6H2,(H2,14,15,16)/t8-,9-,10-,11+/m1/s1
Definition date:	2000-10-27
Last modified:	2011-06-04
Identifier:	(1S)-1,4-anhydro-1-phenyl-5-O-phosphono-D-ribitol

PYZ

PYZ
Name:	4-IODOPYRAZOLE
Formula:	C3 H3 I N2
SMILES:	Ic1cnnc1
InChi:	InChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-iodo-1H-pyrazole

XJH

XJH
Name:	6-{[(3R,4R)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
Formula:	C22 H23 N3 O2
SMILES:	O(c2cc(Oc1ccccc1)ccc2)C3C(CNC3)Cc4nc(N)ccc4
InChi:	InChI=1S/C22H23N3O2/c23-22-11-4-6-17(25-22)12-16-14-24-15-21(16)27-20-10-5-9-19(13-20)26-18-7-2-1-3-8-18/h1-11,13,16,21,24H,12,14-15H2,(H2,23,25)/t16-,21+/m1/s1
Definition date:	2010-06-08
Last modified:	2011-06-04
Identifier:	6-{[(3R,4R)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine

UGB

UGB
Name:	(2S,3R,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
Formula:	C15 H22 N2 O18 P2
SMILES:	O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(=O)O)C(O)C(O)C3O)O)O
InChi:	InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8-,9-,10-,11+,12-,14-/m1/s1
Definition date:	2010-08-24
Last modified:	2011-06-04
Identifier:	(2S,3R,4S,5R,6R)-6-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

NHK

NHK
Name:	N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
Formula:	C11 H16 N2 O6 S
SMILES:	O=S(=O)(N(CC(=O)NO)CCO)c1ccc(OC)cc1
InChi:	InChI=1S/C11H16N2O6S/c1-19-9-2-4-10(5-3-9)20(17,18)13(6-7-14)8-11(15)12-16/h2-5,14,16H,6-8H2,1H3,(H,12,15)
Definition date:	2010-07-15
Last modified:	2011-06-04
Identifier:	N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide

5PY

5PY
Name:	1-(2'-DEOXY-5'-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-METHYLPYRIMIDIN-2(1H)-ONE
Formula:	C10 H15 N2 O7 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)N=CC(=C1)C)CC2O
InChi:	InChI=1S/C10H15N2O7P/c1-6-3-11-10(14)12(4-6)9-2-7(13)8(19-9)5-18-20(15,16)17/h3-4,7-9,13H,2,5H2,1H3,(H2,15,16,17)/t7-,8+,9+/m0/s1
Definition date:	2006-10-12
Last modified:	2011-06-04
Identifier:	1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methylpyrimidin-2(1H)-one

OBI

OBI
Name:	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME
Formula:	C14 H16 N4 O3
SMILES:	ON=Cc1cc[n+](cc1)COC[n+]2ccc(C=NO)cc2
InChi:	InChI=1S/C14H14N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2
Definition date:	2006-05-15
Last modified:	2011-06-04
Identifier:	1,1'-(oxydimethanediyl)bis{4-[(E)-(hydroxyimino)methyl]pyridinium}

041

041
Name:	2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL
Formula:	C15 H10 F N O3
SMILES:	Fc3c(O)ccc(c1nc2cc(O)cc(c2o1)C=C)c3
InChi:	InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2
Definition date:	2004-08-19
Last modified:	2011-06-04
Identifier:	7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol

NHO

NHO
Name:	NICOTINAMIDE-ADENINE-DINUCLEOTIDE-5-HYDROXY-4-OXONORVALINE
Formula:	C26 H35 N8 O18 P2
SMILES:	N[CH](CC(=O)[CH](O)c1cc[n+](cc1C(N)=O)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O)C(O)=O
InChi:	InChI=1S/C26H34N8O18P2/c27-11(26(42)43)3-12(35)16(36)9-1-2-33(4-10(9)22(29)41)24-19(39)17(37)13(50-24)5-48-53(44,45)52-54(46,47)49-6-14-18(38)20(40)25(51-14)34-8-32-15-21(28)30-7-31-23(15)34/h1-2,4,7-8,11,13-14,16-20,24-25,36-40H,3,5-6,27H2,(H6-,28,29,30,31,41,42,43,44,45,46,47)/p+1/t11-,13+,14+,16-,17+,18+,19+,20+,24+,25+/m0/s1
Definition date:	2003-08-20
Last modified:	2011-06-04
Identifier:	(2S,5S)-2-amino-5-[3-aminocarbonyl-1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]pyridin-1-ium-4-yl]-5-hydroxy-4-oxo-pentanoic acid

X41

X41
Name:	1-MYRISTOYL-2-MYRISTOLEOYL-SN-GLYCERO-3-PHOSPHATE
Formula:	C31 H58 O8 P
SMILES:	O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCC=C/CCCC
InChi:	InChI=1S/C31H59O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,29H,3-8,10,12-28H2,1-2H3,(H2,34,35,36)/p-1/b11-9-/t29-/m1/s1
Definition date:	2004-08-02
Last modified:	2011-06-04
Identifier:	(2R)-2-(tetradecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl hydrogen phosphate

NHP

NHP
Name:	4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID
Formula:	C10 H16 N O3 P S
SMILES:	O=P(O)(O)CCCCSc1ccccc1N
InChi:	InChI=1S/C10H16NO3PS/c11-9-5-1-2-6-10(9)16-8-4-3-7-15(12,13)14/h1-2,5-6H,3-4,7-8,11H2,(H2,12,13,14)
Definition date:	1999-09-01
Last modified:	2011-06-04
Identifier:	{4-[(2-aminophenyl)sulfanyl]butyl}phosphonic acid

TN2

TN2
Name:	5-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOL
Formula:	C12 H7 Cl2 N O4
SMILES:	Clc2cc(ccc2Oc1ccc(Cl)cc1O)[N+]([O-])=O
InChi:	InChI=1S/C12H7Cl2NO4/c13-7-1-3-12(10(16)5-7)19-11-4-2-8(15(17)18)6-9(11)14/h1-6,16H
Definition date:	2005-06-09
Last modified:	2011-06-04
Identifier:	5-chloro-2-(2-chloro-4-nitrophenoxy)phenol

P5P

P5P
Name:	PURINE RIBOSIDE-5'-MONOPHOSPHATE
Formula:	C10 H13 N4 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1cncnc12)C(O)C3O
InChi:	InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine

TN3

TN3
Name:	3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)-N-METHYLBENZAMIDE
Formula:	C14 H11 Cl2 N O3
SMILES:	Clc2cc(ccc2Oc1ccc(Cl)cc1O)C(=O)NC
InChi:	InChI=1S/C14H11Cl2NO3/c1-17-14(19)8-2-4-12(10(16)6-8)20-13-5-3-9(15)7-11(13)18/h2-7,18H,1H3,(H,17,19)
Definition date:	2005-06-15
Last modified:	2011-06-04
Identifier:	3-chloro-4-(4-chloro-2-hydroxyphenoxy)-N-methylbenzamide

XJS

XJS
Name:	2'-deoxy-5-[9-(3-{[4-(diethylamino)-4-oxobutanoyl]amino}propyl)-18-ethyl-5,8,14,17-tetraoxo-4,9,13,18-tetraazaicos-1-yn-1-yl]uridine 5'-(tetrahydrogen triphosphate)
Formula:	C38 H63 N8 O20 P3
SMILES:	O=C(N(CC)CC)CCC(=O)NCCCN(C(=O)CCC(=O)NCC#CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CCCNC(=O)CCC(=O)N(CC)CC
InChi:	InChI=1S/C38H63N8O20P3/c1-5-43(6-2)33(51)16-13-31(49)40-20-10-22-45(23-11-21-41-32(50)14-17-34(52)44(7-3)8-4)35(53)18-15-30(48)39-19-9-12-27-25-46(38(55)42-37(27)54)36-24-28(47)29(64-36)26-63-68(59,60)66-69(61,62)65-67(56,57)58/h25,28-29,36,47H,5-8,10-11,13-24,26H2,1-4H3,(H,39,48)(H,40,49)(H,41,50)(H,59,60)(H,61,62)(H,42,54,55)(H2,56,57,58)/t28-,29+,36+/m0/s1
Definition date:	2010-09-20
Last modified:	2011-06-04
Identifier:	2'-deoxy-5-[12-(3-{[4-(diethylamino)-4-oxobutanoyl]amino}propyl)-3-ethyl-4,7,13,16-tetraoxo-3,8,12,17-tetraazaicos-19-yn-20-yl]uridine 5'-(tetrahydrogen triphosphate)

OBN

OBN
Name:	OUABAIN
Formula:	C29 H44 O12
SMILES:	O=C1OCC(=C1)C4CCC5(O)C3CCC6(O)CC(OC2OC(C(O)C(O)C2O)C)CC(O)C6(CO)C3C(O)CC45C
InChi:	InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(1alpha,3beta,5beta,11alpha,17alpha)-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide

NHS

NHS
Name:	10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID
Formula:	C23 H22 N4 O8
SMILES:	O=C(O)C(NC(=O)c1ccc(cc1)C(C(=O)O)Cc3ccc2N=C(NC(=O)c2c3)N)CCC(=O)O
InChi:	InChI=1S/C23H22N4O8/c24-23-26-16-6-1-11(10-15(16)20(31)27-23)9-14(21(32)33)12-2-4-13(5-3-12)19(30)25-17(22(34)35)7-8-18(28)29/h1-6,10,14,17H,7-9H2,(H,25,30)(H,28,29)(H,32,33)(H,34,35)(H3,24,26,27,31)/t14-,17-/m0/s1
Definition date:	1999-07-30
Last modified:	2011-06-04
Identifier:	N-({4-[(1S)-2-(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)-1-carboxyethyl]phenyl}carbonyl)-L-glutamic acid

YYY

YYY
Name:	DEOXYCYTIDINE DIPHOSPHATE
Formula:	C9 H15 N3 O10 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O
InChi:	InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Definition date:	2006-08-31
Last modified:	2011-06-04
Identifier:	2'-deoxycytidine 5'-(trihydrogen diphosphate)

X45

X45
Name:	(5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
Formula:	C23 H22 N4 O2
SMILES:	O=C2N(C(=NC2(c1cc(c(OC)cc1)C)c4cccc(c3cccnc3)c4)N)C
InChi:	InChI=1S/C23H22N4O2/c1-15-12-19(9-10-20(15)29-3)23(21(28)27(2)22(24)26-23)18-8-4-6-16(13-18)17-7-5-11-25-14-17/h4-14H,1-3H3,(H2,24,26)/t23-/m0/s1
Definition date:	2009-08-21
Last modified:	2011-06-04
Identifier:	(5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[3-(pyridin-3-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one

Y12

Y12
Name:	4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE
Formula:	C21 H21 N O5
SMILES:	O=C(Oc1cc(ccc1OC(=O)C)C=CC(=O)NCCc2ccccc2)C
InChi:	InChI=1S/C21H21NO5/c1-15(23)26-19-10-8-18(14-20(19)27-16(2)24)9-11-21(25)22-13-12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,22,25)/b11-9+
Definition date:	2005-11-10
Last modified:	2011-06-04
Identifier:	4-{(1E)-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}benzene-1,2-diyl diacetate

TN5

TN5
Name:	2-(4-AMINO-2-CHLOROPHENOXY)-5-CHLOROPHENOL
Formula:	C12 H9 Cl2 N O2
SMILES:	Clc2cc(ccc2Oc1ccc(Cl)cc1O)N
InChi:	InChI=1S/C12H9Cl2NO2/c13-7-1-3-12(10(16)5-7)17-11-4-2-8(15)6-9(11)14/h1-6,16H,15H2
Definition date:	2005-06-15
Last modified:	2011-06-04
Identifier:	2-(4-amino-2-chlorophenoxy)-5-chlorophenol

NHT

NHT
Name:	(3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL
Formula:	C9 H16 N2 O4 S
SMILES:	N1=C(SC2OC(C(O)C(O)C12)CO)NCC
InChi:	InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1
Definition date:	2008-06-10
Last modified:	2011-06-04
Identifier:	(3aR,5R,6S,7R,7aR)-2-(ethylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol

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