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VG5

VG5
Name:	N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
Formula:	C32 H45 N5 O4
SMILES:	O=C(NC1CCCCC1)C(NCC(O)C(NC(=O)c2cc(cc(c2)N3C(=O)CCC3)NCC)Cc4ccccc4)C
InChi:	InChI=1S/C32H45N5O4/c1-3-33-26-18-24(19-27(20-26)37-16-10-15-30(37)39)32(41)36-28(17-23-11-6-4-7-12-23)29(38)21-34-22(2)31(40)35-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33-34,38H,3,5,8-10,13-17,21H2,1-2H3,(H,35,40)(H,36,41)/t22-,28-,29+/m0/s1
Definition date:	2007-12-06
Last modified:	2011-06-04
Identifier:	N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide

Z75

Z75
Name:	N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
Formula:	C35 H44 F2 N4 O3
SMILES:	CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)[CH]3CN(CCN3)Cc4ccccc4
InChi:	InChI=1S/C35H44F2N4O3/c1-4-12-41(13-5-2)35(44)28-16-24(3)15-27(20-28)34(43)39-31(19-26-17-29(36)21-30(37)18-26)33(42)32-23-40(14-11-38-32)22-25-9-7-6-8-10-25/h6-10,15-18,20-21,31-33,38,42H,4-5,11-14,19,22-23H2,1-3H3,(H,39,43)/t31-,32+,33-/m0/s1
Definition date:	2010-02-26
Last modified:	2011-06-04
Identifier:	N1-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-(phenylmethyl)piperazin-2-yl]propan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Z76

Z76
Name:	N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
Formula:	C35 H42 F2 N4 O6 S
SMILES:	COC[CH]1CCCN1C(=O)c2cc(C)cc(c2)C(=O)N[CH](Cc3cc(F)cc(F)c3)[CH](O)[CH]4CN(CCN4)[S](=O)(=O)c5cccc(C)c5
InChi:	InChI=1S/C35H42F2N4O6S/c1-22-6-4-8-30(14-22)48(45,46)40-11-9-38-32(20-40)33(42)31(17-24-15-27(36)19-28(37)16-24)39-34(43)25-12-23(2)13-26(18-25)35(44)41-10-5-7-29(41)21-47-3/h4,6,8,12-16,18-19,29,31-33,38,42H,5,7,9-11,17,20-21H2,1-3H3,(H,39,43)/t29-,31+,32-,33+/m1/s1
Definition date:	2010-02-26
Last modified:	2011-06-04
Identifier:	N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-(3-methylphenyl)sulfonylpiperazin-2-yl]propan-2-yl]-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl-5-methyl-benzamide

X9F

X9F
Name:	N^4^-1H-INDAZOL-4-YL-N^2^-[3-(METHYLSULFONYL)PHENYL]PYRIMIDINE-2,4-DIAMINE
Formula:	C18 H16 N6 O2 S
SMILES:	O=S(=O)(c1cccc(c1)Nc2nccc(n2)Nc3cccc4c3cnn4)C
InChi:	InChI=1S/C18H16N6O2S/c1-27(25,26)13-5-2-4-12(10-13)21-18-19-9-8-17(23-18)22-15-6-3-7-16-14(15)11-20-24-16/h2-11H,1H3,(H,20,24)(H2,19,21,22,23)
Definition date:	2010-03-17
Last modified:	2011-06-04
Identifier:	N~4~-1H-indazol-4-yl-N~2~-[3-(methylsulfonyl)phenyl]pyrimidine-2,4-diamine

TTA

TTA
Name:	TETRAPHENYL-ARSONIUM
Formula:	C24 H20 As
SMILES:	c1c(cccc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4
InChi:	InChI=1S/C24H20As/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1
Definition date:	2001-01-24
Last modified:	2011-06-04
Identifier:	tetraphenylarsonium

J6Z

J6Z
Name:	(2R)-butane-2-sulfonate
Formula:	C4 H9 O3 S
SMILES:	[O-]S(=O)(=O)C(C)CC
InChi:	InChI=1S/C4H10O3S/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)/p-1/t4-/m1/s1
Definition date:	2009-07-23
Last modified:	2011-06-04
Identifier:	(2R)-butane-2-sulfonate

Z79

Z79
Name:	N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
Formula:	C9 H12 N2 O5 S
SMILES:	COc1ccc(cc1)[S](=O)(=O)NCC(=O)NO
InChi:	InChI=1S/C9H12N2O5S/c1-16-7-2-4-8(5-3-7)17(14,15)10-6-9(12)11-13/h2-5,10,13H,6H2,1H3,(H,11,12)
Definition date:	2010-02-25
Last modified:	2011-06-04
Identifier:	N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]ethanamide

VGA

VGA
Name:	1-[(3S)-5-PHENYL-3-THIOPHEN-2-YL-3H-1,4-BENZODIAZEPIN-2-YL]AZETIDIN-3-OL
Formula:	C22 H19 N3 O S
SMILES:	N2=C(c4ccccc4N=C(N1CC(O)C1)C2c3sccc3)c5ccccc5
InChi:	InChI=1S/C22H19N3OS/c26-16-13-25(14-16)22-21(19-11-6-12-27-19)24-20(15-7-2-1-3-8-15)17-9-4-5-10-18(17)23-22/h1-12,16,21,26H,13-14H2/t21-/m1/s1
Definition date:	2008-11-25
Last modified:	2011-06-04
Identifier:	1-[(3S)-5-phenyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-yl]azetidin-3-ol

J72

J72
Name:	(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime
Formula:	C17 H12 F2 N2 O4
SMILES:	Fc1cc2c(cc1)N(C(=O)C/2=NO)Cc4cc(F)cc3c4OCOC3
InChi:	InChI=1S/C17H12F2N2O4/c18-11-1-2-14-13(5-11)15(20-23)17(22)21(14)6-9-3-12(19)4-10-7-24-8-25-16(9)10/h1-5,23H,6-8H2/b20-15+
Definition date:	2009-02-16
Last modified:	2011-06-04
Identifier:	(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime

TTE

TTE
Name:	PHOSPHOMETHYL PHOSPHONIC ACID DEOXYTHYMIDYLATE ESTER
Formula:	C11 H19 N2 O13 P3
SMILES:	O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
InChi:	InChI=1S/C11H19N2O13P3/c1-6-3-13(11(16)12-10(6)15)9-2-7(14)8(25-9)4-24-29(22,23)26-28(20,21)5-27(17,18)19/h3,7-9,14H,2,4-5H2,1H3,(H,20,21)(H,22,23)(H,12,15,16)(H2,17,18,19)/t7-,8+,9+/m0/s1
Definition date:	2001-01-16
Last modified:	2011-06-04
Identifier:	5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]thymidine

VGC

VGC
Name:	6-CYCLOHEXYL-4-METHYL-5-PHENYL-4H-THIENO[3,2-B]PYRROLE-2-CARBOXYLIC ACID
Formula:	C20 H21 N O2 S
SMILES:	O=C(O)c1sc2c(c(n(c2c1)C)c3ccccc3)C4CCCCC4
InChi:	InChI=1S/C20H21NO2S/c1-21-15-12-16(20(22)23)24-19(15)17(13-8-4-2-5-9-13)18(21)14-10-6-3-7-11-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,22,23)
Definition date:	2009-03-17
Last modified:	2011-06-04
Identifier:	6-cyclohexyl-4-methyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid

J74

J74
Name:	4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide
Formula:	C12 H12 Cl N5 O4 S
SMILES:	O=S(=O)(N)c1ccc(cc1)CCNc2ncnc(Cl)c2[N+]([O-])=O
InChi:	InChI=1S/C12H12ClN5O4S/c13-11-10(18(19)20)12(17-7-16-11)15-6-5-8-1-3-9(4-2-8)23(14,21)22/h1-4,7H,5-6H2,(H2,14,21,22)(H,15,16,17)
Definition date:	2010-03-18
Last modified:	2011-06-04
Identifier:	4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide

VGD

VGD
Name:	6-chloro-1H-benzimidazol-2-amine
Formula:	C7 H6 Cl N3
SMILES:	Clc2cc1c(nc(n1)N)cc2
InChi:	InChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
Definition date:	2009-03-23
Last modified:	2011-06-04
Identifier:	6-chloro-1H-benzimidazol-2-amine

VGF

VGF
Name:	1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE
Formula:	C20 H15 Cl2 N3
SMILES:	Clc1ccc(cc1Cl)Cn2c3c(nc2N)cccc3c4ccccc4
InChi:	InChI=1S/C20H15Cl2N3/c21-16-10-9-13(11-17(16)22)12-25-19-15(14-5-2-1-3-6-14)7-4-8-18(19)24-20(25)23/h1-11H,12H2,(H2,23,24)
Definition date:	2009-03-20
Last modified:	2011-06-04
Identifier:	1-(3,4-dichlorobenzyl)-7-phenyl-1H-benzimidazol-2-amine

VGG

VGG
Name:	1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C17 H21 N5
SMILES:	n1c(c2c(nc1)n(nc2Cc3cccc(c3)C)C(C)(C)C)N
InChi:	InChI=1S/C17H21N5/c1-11-6-5-7-12(8-11)9-13-14-15(18)19-10-20-16(14)22(21-13)17(2,3)4/h5-8,10H,9H2,1-4H3,(H2,18,19,20)
Definition date:	2009-03-31
Last modified:	2011-06-04
Identifier:	1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

ULP

ULP
Name:	(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(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-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
Formula:	C25 H34 N5 O22 P3
SMILES:	O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4OC(C(=O)O)C(O)C(/N=C/c3c(cnc(c3O)C)COP(=O)(O)O)C4NC(=O)C)O)O
InChi:	InChI=1S/C25H34N5O22P3/c1-9-17(33)12(11(5-26-9)7-47-53(40,41)42)6-27-15-16(28-10(2)31)24(50-21(19(15)35)23(37)38)51-55(45,46)52-54(43,44)48-8-13-18(34)20(36)22(49-13)30-4-3-14(32)29-25(30)39/h3-6,13,15-16,18-22,24,33-36H,7-8H2,1-2H3,(H,28,31)(H,37,38)(H,43,44)(H,45,46)(H,29,32,39)(H2,40,41,42)/b27-6+/t13-,15-,16-,18-,19+,20-,21+,22-,24-/m1/s1
Definition date:	2010-07-16
Last modified:	2011-06-04
Identifier:	(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(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-hydroxy-4-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

VGJ

VGJ
Name:	(3R,7S,11S)-3,7,11,15-tetramethylhexadecanoic acid
Formula:	C20 H40 O2
SMILES:	O=C(O)CC(CCCC(C)CCCC(C)CCCC(C)C)C
InChi:	InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19+/m0/s1
Definition date:	2009-06-30
Last modified:	2011-06-04
Identifier:	(3R,7S,11S)-3,7,11,15-tetramethylhexadecanoic acid

TTM

TTM
Name:	N3-ETHYL-THYMIDINE-5'-MONOPHOSPHATE
Formula:	C12 H19 N2 O8 P
SMILES:	O=C1N(C(=O)N(C=C1C)C2OC(C(O)C2)COP(=O)(O)O)CC
InChi:	InChI=1S/C12H19N2O8P/c1-3-13-11(16)7(2)5-14(12(13)17)10-4-8(15)9(22-10)6-21-23(18,19)20/h5,8-10,15H,3-4,6H2,1-2H3,(H2,18,19,20)/t8-,9+,10+/m0/s1
Definition date:	2004-09-13
Last modified:	2011-06-04
Identifier:	3-ethylthymidine 5'-(dihydrogen phosphate)

TTN

TTN
Name:	TARTRONATE
Formula:	C3 H2 O5
SMILES:	[O-]C(=O)C(O)C([O-])=O
InChi:	InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)/p-2
Definition date:	2000-02-16
Last modified:	2011-06-04
Identifier:	hydroxypropanedioate

TTO

TTO
Name:	(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM
Formula:	C24 H20 As O2
SMILES:	Oc1cc(ccc1O)[As+](c2ccccc2)(c3ccccc3)c4ccccc4
InChi:	InChI=1S/C24H19AsO2/c26-23-17-16-22(18-24(23)27)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H,(H-,26,27)/p+1
Definition date:	2001-02-01
Last modified:	2011-06-04
Identifier:	(3,4-dihydroxyphenyl)(triphenyl)arsonium

TTP

TTP
Name:	THYMIDINE-5'-TRIPHOSPHATE
Formula:	C10 H17 N2 O14 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
InChi:	InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	thymidine 5'-(tetrahydrogen triphosphate)

Z82

Z82
Name:	4-bromobenzoic acid
Formula:	C7 H5 Br O2
SMILES:	OC(=O)c1ccc(Br)cc1
InChi:	InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
Definition date:	2010-01-26
Last modified:	2011-06-04
Identifier:	4-bromobenzoic acid

V12

V12
Name:	5'-[(1H-BENZIMIDAZOL-2-YLACETYL)AMINO]-5'-DEOXYCYTIDINE
Formula:	C18 H20 N6 O5
SMILES:	O=C1N=C(N)C=CN1C2OC(C(O)C2O)CNC(=O)Cc3nc4ccccc4n3
InChi:	InChI=1S/C18H20N6O5/c19-12-5-6-24(18(28)23-12)17-16(27)15(26)11(29-17)8-20-14(25)7-13-21-9-3-1-2-4-10(9)22-13/h1-6,11,15-17,26-27H,7-8H2,(H,20,25)(H,21,22)(H2,19,23,28)/t11-,15-,16-,17-/m1/s1
Definition date:	2007-06-07
Last modified:	2011-06-04
Identifier:	5'-[(1H-benzimidazol-2-ylacetyl)amino]-5'-deoxycytidine

V15

V15
Name:	2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4(3H)-ONE
Formula:	C12 H13 N3 O
SMILES:	O=C1C=C(N=C(N)N1)CCc2ccccc2
InChi:	InChI=1S/C12H13N3O/c13-12-14-10(8-11(16)15-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,13,14,15,16)
Definition date:	2007-05-04
Last modified:	2011-06-04
Identifier:	2-amino-6-(2-phenylethyl)pyrimidin-4(3H)-one

UM0

UM0
Name:	(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoic acid
Formula:	C14 H24 N2 O9
SMILES:	O=C(O)C(NC(=O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C)C
InChi:	InChI=1S/C14H24N2O9/c1-5(13(21)22)15-12(20)6(2)24-11-9(16-7(3)18)14(23)25-8(4-17)10(11)19/h5-6,8-11,14,17,19,23H,4H2,1-3H3,(H,15,20)(H,16,18)(H,21,22)/t5-,6+,8+,9+,10+,11+,14-/m0/s1
Definition date:	2009-03-24
Last modified:	2011-06-04
Identifier:	(2S)-2-{[(2R)-2-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoic acid (non-preferred name)

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