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SG3

SG3
Name:	[(1E,3R,4S)-4-FLUORO-3,5-DIHYDROXY-4-METHYLPENT-1-EN-1-YL]PHOSPHONIC ACID
Formula:	C6 H12 F O5 P
SMILES:	O=P(O)(O)/C=C/C(O)C(F)(C)CO
InChi:	InChI=1S/C6H12FO5P/c1-6(7,4-8)5(9)2-3-13(10,11)12/h2-3,5,8-9H,4H2,1H3,(H2,10,11,12)/t5-,6+/m1/s1
Definition date:	2007-06-11
Last modified:	2011-06-04
Identifier:	[(1E,3R,4S)-4-fluoro-3,5-dihydroxy-4-methylpent-1-en-1-yl]phosphonic acid

XBP

XBP
Name:	XYLULOSE-1,5-BISPHOSPHATE
Formula:	C5 H12 O11 P2
SMILES:	O=P(O)(O)OCC(=O)C(O)C(O)COP(=O)(O)O
InChi:	InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	1,5-di-O-phosphono-D-xylulose

ZYR

ZYR
Name:	5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Formula:	C10 H10 N2 O S
SMILES:	O=C1c2c3c(sc2N=CN1)CCCC3
InChi:	InChI=1S/C10H10N2OS/c13-9-8-6-3-1-2-4-7(6)14-10(8)12-5-11-9/h5H,1-4H2,(H,11,12,13)
Definition date:	2009-07-03
Last modified:	2011-06-04
Identifier:	5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

2CL

2CL
Name:	(2,6-DICHLOROPHENYL)ACETIC ACID
Formula:	C8 H6 Cl2 O2
SMILES:	Clc1cccc(Cl)c1CC(=O)O
InChi:	InChI=1S/C8H6Cl2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
Definition date:	2006-10-17
Last modified:	2011-06-04
Identifier:	(2,6-dichlorophenyl)acetic acid

VNF

VNF
Name:	4'-chloro-N-[(1R)-2-(1H-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide
Formula:	C24 H20 Cl N3 O
SMILES:	Clc1ccc(cc1)c2ccc(cc2)C(=O)N[CH](Cn3ccnc3)c4ccccc4
InChi:	InChI=1S/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-23(16-28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29)/t23-/m0/s1
Definition date:	2009-11-24
Last modified:	2011-06-04
Identifier:	4-(4-chlorophenyl)-N-[(1R)-2-imidazol-1-yl-1-phenyl-ethyl]benzamide

2CM

2CM
Name:	2-CHLORO-6-METHYL-ANILINE
Formula:	C7 H8 Cl N
SMILES:	Clc1cccc(c1N)C
InChi:	InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3
Definition date:	2003-03-27
Last modified:	2011-06-04
Identifier:	2-chloro-6-methylaniline

ZYS

ZYS
Name:	[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone
Formula:	C14 H17 N3 O S
SMILES:	O=C(c1sc(nc1N)NC(C)(C)C)c2ccccc2
InChi:	InChI=1S/C14H17N3OS/c1-14(2,3)17-13-16-12(15)11(19-13)10(18)9-7-5-4-6-8-9/h4-8H,15H2,1-3H3,(H,16,17)
Definition date:	2009-07-03
Last modified:	2011-06-04
Identifier:	[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone

VNI

VNI
Name:	N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
Formula:	C26 H19 Cl2 N5 O2
SMILES:	Clc1ccc(c(Cl)c1)C(NC(=O)c4ccc(c2nnc(o2)c3ccccc3)cc4)Cn5ccnc5
InChi:	InChI=1S/C26H19Cl2N5O2/c27-20-10-11-21(22(28)14-20)23(15-33-13-12-29-16-33)30-24(34)17-6-8-19(9-7-17)26-32-31-25(35-26)18-4-2-1-3-5-18/h1-14,16,23H,15H2,(H,30,34)/t23-/m0/s1
Definition date:	2009-04-01
Last modified:	2011-06-04
Identifier:	N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

ZYT

ZYT
Name:	2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol
Formula:	C9 H10 N2 O S2
SMILES:	Oc1nc(SC)nc1Cc2sccc2
InChi:	InChI=1S/C9H10N2OS2/c1-13-9-10-7(8(12)11-9)5-6-3-2-4-14-6/h2-4,12H,5H2,1H3,(H,10,11)
Definition date:	2009-07-03
Last modified:	2011-06-04
Identifier:	2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol

ZIG

ZIG
Name:	2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide
Formula:	C25 H17 F2 N5 O3 S
SMILES:	COc1ncc(cc1N[S](=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(c5ccnnc5)c4c3
InChi:	InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
Definition date:	2009-12-10
Last modified:	2011-06-04
Identifier:	2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide

2CP

2CP
Name:	2-CARBOXYPROPYL-COENZYME A
Formula:	C25 H42 N7 O18 P3 S
SMILES:	O=C(O)C(C)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:	InChI=1S/C25H42N7O18P3S/c1-13(24(37)38)9-54-7-6-27-15(33)4-5-28-22(36)19(35)25(2,3)10-47-53(44,45)50-52(42,43)46-8-14-18(49-51(39,40)41)17(34)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,4-10H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,17+,18+,19-,23+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(3S,5R,9R,20R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name)

J2I

J2I
Name:	2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone
Formula:	C23 H24 F2 N8 O2
SMILES:	Fc1cc(OC)cc(F)c1CC(=O)N5CCN(c3nc(Nc2cc(nn2)C)c4cccn4n3)CC5
InChi:	InChI=1S/C23H24F2N8O2/c1-14-10-20(29-28-14)26-22-19-4-3-5-33(19)30-23(27-22)32-8-6-31(7-9-32)21(34)13-16-17(24)11-15(35-2)12-18(16)25/h3-5,10-12H,6-9,13H2,1-2H3,(H2,26,27,28,29,30)
Definition date:	2011-01-04
Last modified:	2011-06-04
Identifier:	2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone

TNT

TNT
Name:	1,3-BIS(AMIDINOPHENOXY)PROPANE
Formula:	C17 H20 N4 O2
SMILES:	O(c1ccc(cc1)C(=[N@H])N)CCCOc2ccc(C(=[N@H])N)cc2
InChi:	InChI=1S/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4,4'-[propane-1,3-diylbis(oxy)]dibenzenecarboximidamide

HUB

HUB
Name:	HUPERZINE B
Formula:	C16 H20 N2 O
SMILES:	O=C1C=CC2=C(N1)CC3C=C(CC24NCCCC34)C
InChi:	InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16+/m0/s1
Definition date:	2001-11-07
Last modified:	2011-06-04
Identifier:	(4aR,5R,10bR)-12-methyl-2,3,4,4a,5,6-hexahydro-1H-5,10b-prop[1]eno-1,7-phenanthrolin-8(7H)-one

ZYW

ZYW
Name:	1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE
Formula:	C11 H14 Br N5 O
SMILES:	Brc1cnc3c(c1N2CC(OCC2)CN)cnn3
InChi:	InChI=1S/C11H14BrN5O/c12-9-5-14-11-8(4-15-16-11)10(9)17-1-2-18-7(3-13)6-17/h4-5,7H,1-3,6,13H2,(H,14,15,16)/t7-/m0/s1
Definition date:	2009-07-03
Last modified:	2011-06-04
Identifier:	1-[(2S)-4-(5-bromo-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine

XBV

XBV
Name:	(3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}
Formula:	C24 H21 Cl F3 N5 O3
SMILES:	FC(F)CN4CC(C(=O)Nc2ccc(N1C=CC=CC1=O)cc2F)C(C(=O)Nc3ncc(Cl)cc3)C4
InChi:	InChI=1S/C24H21ClF3N5O3/c25-14-4-7-21(29-10-14)31-24(36)17-12-32(13-20(27)28)11-16(17)23(35)30-19-6-5-15(9-18(19)26)33-8-2-1-3-22(33)34/h1-10,16-17,20H,11-13H2,(H,30,35)(H,29,31,36)/t16-,17-/m0/s1
Definition date:	2010-04-15
Last modified:	2011-06-04
Identifier:	(3R,4R)-N-(5-chloropyridin-2-yl)-1-(2,2-difluoroethyl)-N'-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]pyrrolidine-3,4-dicarboxamide

U2F

U2F
Name:	URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE
Formula:	C15 H23 F N2 O16 P2
SMILES:	O=P(OC1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:	InChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9-,10-,11-,12-,13-,14-/m1/s1
Definition date:	2003-10-20
Last modified:	2011-06-04
Identifier:	[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)

2CS

2CS
Name:	3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID
Formula:	C34 H35 Cl N2 O3 S
SMILES:	O=C(O)C(C)(C)Cc4c(SC(C)(C)C)c3cc(OCc1nc2c(cc1)cccc2)ccc3n4Cc5ccc(Cl)cc5
InChi:	InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)
Definition date:	2007-06-15
Last modified:	2011-06-04
Identifier:	3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid

ZYY

ZYY
Name:	N-[(6S)-2-(4-fluorobenzyl)-10-hydroxy-6-methyl-8-(1-methylethyl)-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazin-4-yl]-N-methylmethanesulfonamide
Formula:	C22 H26 F N5 O5 S
SMILES:	O=S(=O)(N(C3=NN(C(=O)c2c3n1c(C(=O)N(CC1C)C(C)C)c2O)Cc4ccc(F)cc4)C)C
InChi:	InChI=1S/C22H26FN5O5S/c1-12(2)26-10-13(3)28-17-16(19(29)18(28)22(26)31)21(30)27(11-14-6-8-15(23)9-7-14)24-20(17)25(4)34(5,32)33/h6-9,12-13,29H,10-11H2,1-5H3/t13-/m0/s1
Definition date:	2010-10-04
Last modified:	2011-06-04
Identifier:	N-[(6S)-2-(4-fluorobenzyl)-10-hydroxy-6-methyl-1,9-dioxo-8-(propan-2-yl)-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazin-4-yl]-N-methylmethanesulfonamide

WYE

WYE
Name:	(2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2H)-one
Formula:	C22 H22 N4 O4
SMILES:	CN1CCN(CC1)c2ccnc3n(C)cc(C=C4Oc5cc(O)cc(O)c5C4=O)c23
InChi:	InChI=1S/C22H22N4O4/c1-24-5-7-26(8-6-24)15-3-4-23-22-19(15)13(12-25(22)2)9-18-21(29)20-16(28)10-14(27)11-17(20)30-18/h3-4,9-12,27-28H,5-8H2,1-2H3/b18-9-
Definition date:	2010-02-10
Last modified:	2011-06-04
Identifier:	(2Z)-4,6-dihydroxy-2-[[1-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-3-yl]methylidene]-1-benzofuran-3-one

ZYZ

ZYZ
Name:	(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
Formula:	C16 H23 N O6 Se
SMILES:	O=C(OC(C)(C)C)NC(C(=O)OC)Cc1ccc(cc1)C[Se](=O)O
InChi:	InChI=1S/C16H23NO6Se/c1-16(2,3)23-15(19)17-13(14(18)22-4)9-11-5-7-12(8-6-11)10-24(20)21/h5-8,13H,9-10H2,1-4H3,(H,17,19)(H,20,21)/t13-/m0/s1
Definition date:	2008-06-11
Last modified:	2011-06-04
Identifier:	(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid

SUD

SUD
Name:	4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL 2-PHOSPHATE
Formula:	C14 H26 N3 O17 P3
SMILES:	O=P(O)(O)OC(C)(CO)C(O)COP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
InChi:	InChI=1S/C14H26N3O17P3/c1-14(6-18,33-35(23,24)25)8(19)5-31-37(28,29)34-36(26,27)30-4-7-10(20)11(21)12(32-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21H,4-6H2,1H3,(H,26,27)(H,28,29)(H2,15,16,22)(H2,23,24,25)/t7-,8-,10-,11-,12-,14+/m1/s1
Definition date:	2004-07-28
Last modified:	2011-06-04
Identifier:	5'-O-[(R)-{[(S)-{[(2R,3S)-2,4-dihydroxy-3-methyl-3-(phosphonooxy)butyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine

WYF

WYF
Name:	(2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one
Formula:	C21 H18 N2 O5
SMILES:	O=C1c5c(O)cc(O)cc5O/C1=Cc3c2cc(OC)ccc2n4c3CNCC4
InChi:	InChI=1S/C21H18N2O5/c1-27-12-2-3-15-13(8-12)14(16-10-22-4-5-23(15)16)9-19-21(26)20-17(25)6-11(24)7-18(20)28-19/h2-3,6-9,22,24-25H,4-5,10H2,1H3/b19-9-
Definition date:	2010-04-20
Last modified:	2011-06-04
Identifier:	(2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-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)

2CV

2CV
Name:	HEGA-10
Formula:	C18 H37 N O7
SMILES:	CCCCCCCCCC(=O)N(CCO)C[CH](O)[CH](O)[CH](O)[CH](O)CO
InChi:	InChI=1S/C18H37NO7/c1-2-3-4-5-6-7-8-9-16(24)19(10-11-20)12-14(22)17(25)18(26)15(23)13-21/h14-15,17-18,20-23,25-26H,2-13H2,1H3/t14-,15+,17-,18+/m1/s1
Definition date:	2010-11-30
Last modified:	2011-06-04
Identifier:	N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]decanamide

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