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DNC

DNC
Name:	3,5-DINITROCATECHOL
Formula:	C6 H4 N2 O6
SMILES:	[O-][N+](=O)c1cc([N+]([O-])=O)cc(O)c1O
InChi:	InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3,5-dinitrobenzene-1,2-diol

235

235
Name:	(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID
Formula:	C20 H27 N2 O6 P S
SMILES:	O=S(=O)(c1ccccc1)NC(C(C)C)P(=O)(O)CC(c2cccc(c2)CN)C(=O)O
InChi:	InChI=1S/C20H27N2O6PS/c1-14(2)19(22-30(27,28)17-9-4-3-5-10-17)29(25,26)13-18(20(23)24)16-8-6-7-15(11-16)12-21/h3-11,14,18-19,22H,12-13,21H2,1-2H3,(H,23,24)(H,25,26)/t18-,19+/m0/s1
Definition date:	2007-04-20
Last modified:	2011-06-04
Identifier:	(2S)-2-[3-(aminomethyl)phenyl]-3-[(R)-hydroxy{(1R)-2-methyl-1-[(phenylsulfonyl)amino]propyl}phosphoryl]propanoic acid

237

237
Name:	(2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE
Formula:	C26 H25 Cl F N3 O5 S
SMILES:	O=C(Nc1ccc(Cl)cc1)N4C(C(=O)Nc3ccc(c2ccccc2S(=O)(=O)C)cc3F)CC(OC)C4
InChi:	InChI=1S/C26H25ClFN3O5S/c1-36-19-14-23(31(15-19)26(33)29-18-10-8-17(27)9-11-18)25(32)30-22-12-7-16(13-21(22)28)20-5-3-4-6-24(20)37(2,34)35/h3-13,19,23H,14-15H2,1-2H3,(H,29,33)(H,30,32)/t19-,23-/m1/s1
Definition date:	2007-05-22
Last modified:	2011-06-04
Identifier:	(2R,4R)-N~1~-(4-chlorophenyl)-N~2~-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-4-methoxypyrrolidine-1,2-dicarboxamide

238

238
Name:	6-CHLORO-2-(2'-FLUOROBIPHENYL-4-YL)-3-METHYLQUINOLINE-4-CARBOXYLIC ACID
Formula:	C23 H15 Cl F N O2
SMILES:	Fc1ccccc1c4ccc(c2nc3ccc(Cl)cc3c(c2C)C(=O)O)cc4
InChi:	InChI=1S/C23H15ClFNO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)
Definition date:	2007-05-29
Last modified:	2011-06-04
Identifier:	6-chloro-2-(2'-fluorobiphenyl-4-yl)-3-methylquinoline-4-carboxylic acid

23C

23C
Name:	2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Formula:	C22 H15 N O6
SMILES:	O=C(O)C(N2C(=O)c1ccc(cc1C2=O)C(=O)O)Cc4c3ccccc3ccc4
InChi:	InChI=1S/C22H15NO6/c24-19-16-9-8-14(21(26)27)10-17(16)20(25)23(19)18(22(28)29)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,18H,11H2,(H,26,27)(H,28,29)/t18-/m1/s1
Definition date:	2007-12-17
Last modified:	2011-06-04
Identifier:	2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

23D

23D
Name:	N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE
Formula:	C19 H24 Cl N7
SMILES:	Clc1cccc(c1)Nc3nc(nc2c3ncn2CC)NC4CCCCC4N
InChi:	InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15-/m1/s1
Definition date:	2005-12-01
Last modified:	2011-06-04
Identifier:	N~2~-[(1R,2R)-2-aminocyclohexyl]-N~6~-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine

23E

23E
Name:	(2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid
Formula:	C38 H38 N4 O5
SMILES:	O=C(O)C=Cc1ccc(cc1)NC(=O)C7(NC(=O)c4ccc3c(c2c5c(NC(=O)Cn2c3c4)cccc5)C6CCCCC6)CCCC7
InChi:	InChI=1S/C38H38N4O5/c43-32-23-42-31-22-26(15-18-29(31)34(25-8-2-1-3-9-25)35(42)28-10-4-5-11-30(28)40-32)36(46)41-38(20-6-7-21-38)37(47)39-27-16-12-24(13-17-27)14-19-33(44)45/h4-5,10-19,22,25H,1-3,6-9,20-21,23H2,(H,39,47)(H,40,43)(H,41,46)(H,44,45)/b19-14+
Definition date:	2011-01-06
Last modified:	2011-06-04
Identifier:	(2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid

DNR

DNR
Name:	2'-DEOXY-N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE
Formula:	C9 H15 N3 O7 P
SMILES:	O=C1[NH+]=C(N)C=CN1C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/p+1/t5-,6+,8+/m0/s1
Definition date:	2002-04-04
Last modified:	2011-06-04
Identifier:	2'-deoxy-5'-cytidylic acid

23G

23G
Name:	GUANOSINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE
Formula:	C10 H13 N5 O10 P2
SMILES:	O=C4NC(=Nc1c4ncn1C2OC(C3OP(=O)(O)OC23)COP(=O)(O)O)N
InChi:	InChI=1S/C10H13N5O10P2/c11-10-13-7-4(8(16)14-10)12-2-15(7)9-6-5(24-27(20,21)25-6)3(23-9)1-22-26(17,18)19/h2-3,5-6,9H,1H2,(H,20,21)(H2,17,18,19)(H3,11,13,14,16)/t3-,5-,6-,9-/m1/s1
Definition date:	2009-09-09
Last modified:	2011-06-04
Identifier:	[(2S,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl dihydrogen phosphate

DNT

DNT
Name:	2-[1-METHYLHEXYL]-4,6-DINITROPHENOL
Formula:	C13 H18 N2 O5
SMILES:	[O-][N+](=O)c1cc(cc(c1O)C(CCCCC)C)[N+]([O-])=O
InChi:	InChI=1S/C13H18N2O5/c1-3-4-5-6-9(2)11-7-10(14(17)18)8-12(13(11)16)15(19)20/h7-9,16H,3-6H2,1-2H3
Definition date:	2003-02-10
Last modified:	2011-06-04
Identifier:	2-[(1S)-1-methylhexyl]-4,6-dinitrophenol

23I

23I
Name:	N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-2-METHYLPROPYL}AMINO)-4-METHYL-5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
Formula:	C36 H55 N5 O7 S
SMILES:	O=S(=O)(N(c1cc(cc(c1)C(=O)NC(c2ccccc2)C)C(=O)NC(CC(C)C)C(O)CC(C(=O)NC(C(=O)NC(C)C)C(C)C)C)C)C
InChi:	InChI=1S/C36H55N5O7S/c1-21(2)16-30(31(42)17-24(7)33(43)40-32(22(3)4)36(46)37-23(5)6)39-35(45)28-18-27(19-29(20-28)41(9)49(10,47)48)34(44)38-25(8)26-14-12-11-13-15-26/h11-15,18-25,30-32,42H,16-17H2,1-10H3,(H,37,46)(H,38,44)(H,39,45)(H,40,43)/t24-,25-,30+,31+,32+/m1/s1
Definition date:	2007-04-13
Last modified:	2011-06-04
Identifier:	N-[(1S,2S,4R)-2-hydroxy-4-methyl-5-({(1S)-2-methyl-1-[(1-methylethyl)carbamoyl]propyl}amino)-1-(2-methylpropyl)-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide

23M

23M
Name:	2-(3-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE
Formula:	C16 H15 N3
SMILES:	[N@H]=C(c1cc2c(cc1)nc(c2)c3cccc(c3)C)N
InChi:	InChI=1S/C16H15N3/c1-10-3-2-4-11(7-10)15-9-13-8-12(16(17)18)5-6-14(13)19-15/h2-9,19H,1H3,(H3,17,18)
Definition date:	2006-03-16
Last modified:	2011-06-04
Identifier:	2-(3-methylphenyl)-1H-indole-5-carboximidamide

23N

23N
Name:	(2R)-2-benzyl-3-nitropropanoic acid
Formula:	C10 H11 N O4
SMILES:	[O-][N+](=O)CC(C(=O)O)Cc1ccccc1
InChi:	InChI=1S/C10H11NO4/c12-10(13)9(7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m1/s1
Definition date:	2007-10-03
Last modified:	2011-06-04
Identifier:	(2R)-2-benzyl-3-nitropropanoic acid

23Q

23Q
Name:	(2S,3S,11bS)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine
Formula:	C22 H27 F N2 O2
SMILES:	COc1cc2CCN3C[CH]([CH](N)C[CH]3c2cc1OC)c4cccc(CF)c4
InChi:	InChI=1S/C22H27FN2O2/c1-26-21-9-16-6-7-25-13-18(15-5-3-4-14(8-15)12-23)19(24)11-20(25)17(16)10-22(21)27-2/h3-5,8-10,18-20H,6-7,11-13,24H2,1-2H3/t18-,19+,20+/m1/s1
Definition date:	2009-12-14
Last modified:	2011-06-04
Identifier:	(2S,3S,5R,11bS)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-amine

23R

23R
Name:	(1S,2S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol
Formula:	C29 H46 O4
SMILES:	OC(CC1CC(OC1)(C)C4CCC3C(=CC=C2/C(=C)C(O)C(C)C(O)C2)CCCC34C)(C)C
InChi:	InChI=1S/C29H46O4/c1-18-22(14-24(30)19(2)26(18)31)10-9-21-8-7-13-28(5)23(21)11-12-25(28)29(6)16-20(17-33-29)15-27(3,4)32/h9-10,19-20,23-26,30-32H,1,7-8,11-17H2,2-6H3/b21-9+,22-10-/t19-,20+,23-,24+,25-,26+,28-,29-/m0/s1
Definition date:	2009-06-25
Last modified:	2011-06-04
Identifier:	(1S,2S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol

23U

23U
Name:	beta-phenyl-D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide
Formula:	C27 H28 Cl N3 O2
SMILES:	O=C(NCc1cccc(Cl)c1)C4N(C(=O)C(N)C(c2ccccc2)c3ccccc3)CCC4
InChi:	InChI=1S/C27H28ClN3O2/c28-22-14-7-9-19(17-22)18-30-26(32)23-15-8-16-31(23)27(33)25(29)24(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-7,9-14,17,23-25H,8,15-16,18,29H2,(H,30,32)/t23-,25+/m0/s1
Definition date:	2008-06-19
Last modified:	2011-06-04
Identifier:	beta-phenyl-D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide

243

243
Name:	(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
Formula:	C18 H32 O3
SMILES:	O=C(O)CCCCCCC/C=CC=CC(O)CCCCC
InChi:	InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1
Definition date:	2007-07-17
Last modified:	2011-06-04
Identifier:	(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid

244

244
Name:	[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE
Formula:	C16 H11 N O3
SMILES:	N#CCc3cc(O)cc1c3oc(c1)c2ccc(O)cc2
InChi:	InChI=1S/C16H11NO3/c17-6-5-11-7-14(19)8-12-9-15(20-16(11)12)10-1-3-13(18)4-2-10/h1-4,7-9,18-19H,5H2
Definition date:	2004-08-18
Last modified:	2011-06-04
Identifier:	[5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]acetonitrile

245

245
Name:	1-(2-chloropyridin-4-yl)-3-phenylurea
Formula:	C12 H10 Cl N3 O
SMILES:	Clc2nccc(NC(=O)Nc1ccccc1)c2
InChi:	InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)
Definition date:	2007-08-06
Last modified:	2011-06-04
Identifier:	1-(2-chloropyridin-4-yl)-3-phenylurea

24A

24A
Name:	{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID
Formula:	C20 H28 N6 O5 P2
SMILES:	O=P(O)(O)CP(=O)(O)c1ccc(cc1)Nc3nc(nc2c3ncn2CC)C4CCC(N)CC4
InChi:	InChI=1S/C20H28N6O5P2/c1-2-26-11-22-17-19(24-18(25-20(17)26)13-3-5-14(21)6-4-13)23-15-7-9-16(10-8-15)32(27,28)12-33(29,30)31/h7-11,13-14H,2-6,12,21H2,1H3,(H,27,28)(H,23,24,25)(H2,29,30,31)/t13-,14-
Definition date:	2005-11-02
Last modified:	2011-06-04
Identifier:	{[(R)-(4-{[2-(trans-4-aminocyclohexyl)-9-ethyl-9H-purin-6-yl]amino}phenyl)(hydroxy)phosphoryl]methyl}phosphonic acid

24F

24F
Name:	(2R)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid
Formula:	C23 H30 N2 O7 S2
SMILES:	O=S(=O)(c2sc(c1ccc(OCC)cc1)cc2)NC(C(=O)O)C3CCN(C(=O)OC(C)C)CC3
InChi:	InChI=1S/C23H30N2O7S2/c1-4-31-18-7-5-16(6-8-18)19-9-10-20(33-19)34(29,30)24-21(22(26)27)17-11-13-25(14-12-17)23(28)32-15(2)3/h5-10,15,17,21,24H,4,11-14H2,1-3H3,(H,26,27)/t21-/m1/s1
Definition date:	2008-09-26
Last modified:	2011-06-04
Identifier:	(2R)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid

24H

24H
Name:	{[(1S)-2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid
Formula:	C9 H14 N5 O6 P
SMILES:	O=P(O)(O)COC(CO)Cn1c2N=C(NC(=O)c2nc1)N
InChi:	InChI=1S/C9H14N5O6P/c10-9-12-7-6(8(16)13-9)11-3-14(7)1-5(2-15)20-4-21(17,18)19/h3,5,15H,1-2,4H2,(H2,17,18,19)(H3,10,12,13,16)/t5-/m0/s1
Definition date:	2009-04-15
Last modified:	2011-06-04
Identifier:	{[(1S)-2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid

HA0

HA0
Name:	HETEROARYLALANINE 5-PHENYL OXAZOLE
Formula:	C24 H30 N2 O6
SMILES:	O=C(O)C(CCC)CC3(C(=O)NC(C(=O)O)Cc1ncc(o1)c2ccccc2)CCCC3
InChi:	InChI=1S/C24H30N2O6/c1-2-8-17(21(27)28)14-24(11-6-7-12-24)23(31)26-18(22(29)30)13-20-25-15-19(32-20)16-9-4-3-5-10-16/h3-5,9-10,15,17-18H,2,6-8,11-14H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t17-,18-/m1/s1
Definition date:	2011-03-03
Last modified:	2011-06-04
Identifier:	(2R)-2-[(1-{[(1R)-1-carboxy-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]carbamoyl}cyclopentyl)methyl]pentanoic acid

HA1

HA1
Name:	9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE
Formula:	C10 H14 F2 N5 O4 P
SMILES:	FC(F)(P(=O)(O)O)CCCCn1c2N=C(NC(=O)c2nc1)N
InChi:	InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)
Definition date:	2003-11-17
Last modified:	2011-06-04
Identifier:	[5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-difluoropentyl]phosphonic acid

HA2

HA2
Name:	6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-6-OXOHEXANOIC ACID)
Formula:	C22 H28 N2 O5
SMILES:	O=C(O)CCCCC(=O)N(O)CC(N)Cc2ccc(OCc1ccccc1)cc2
InChi:	InChI=1S/C22H28N2O5/c23-19(15-24(28)21(25)8-4-5-9-22(26)27)14-17-10-12-20(13-11-17)29-16-18-6-2-1-3-7-18/h1-3,6-7,10-13,19,28H,4-5,8-9,14-16,23H2,(H,26,27)/t19-/m0/s1
Definition date:	2007-12-07
Last modified:	2011-06-04
Identifier:	6-[{(2S)-2-amino-3-[4-(benzyloxy)phenyl]propyl}(hydroxy)amino]-6-oxohexanoic acid

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