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C0P

C0P
Name:	4-CHLORO-6-[2,4-DICHLORO-5-(2-MORPHOLIN-4-YLETHOXY)PHENYL]PYRIMIDIN-2-AMINE
Formula:	C16 H17 Cl3 N4 O2
SMILES:	Clc1nc(nc(c1)c3cc(OCCN2CCOCC2)c(Cl)cc3Cl)N
InChi:	InChI=1S/C16H17Cl3N4O2/c17-11-8-12(18)14(25-6-3-23-1-4-24-5-2-23)7-10(11)13-9-15(19)22-16(20)21-13/h7-9H,1-6H2,(H2,20,21,22)
Definition date:	2010-06-21
Last modified:	2011-06-04
Identifier:	4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine

C0Y

C0Y
Name:	(3-TERT-BUTYL-4-HYDROXYPHENYL)MORPHOLIN-4-YL-METHANONE
Formula:	C15 H21 N O3
SMILES:	O=C(c1ccc(O)c(c1)C(C)(C)C)N2CCOCC2
InChi:	InChI=1S/C15H21NO3/c1-15(2,3)12-10-11(4-5-13(12)17)14(18)16-6-8-19-9-7-16/h4-5,10,17H,6-9H2,1-3H3
Definition date:	2010-06-21
Last modified:	2011-06-04
Identifier:	2-tert-butyl-4-(morpholin-4-ylcarbonyl)phenol

C0Z

C0Z
Name:	6-CHLORO-N-[(3S)-1-[(1S)-1-DIMETHYLAMINO-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE
Formula:	C25 H26 Cl N3 O3 S
SMILES:	CN(C)[CH]1CCc2cc(ccc12)N3CC[CH](N[S](=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O
InChi:	InChI=1S/C25H26ClN3O3S/c1-28(2)24-10-5-18-14-20(7-9-22(18)24)29-12-11-23(25(29)30)27-33(31,32)21-8-4-16-13-19(26)6-3-17(16)15-21/h3-4,6-9,13-15,23-24,27H,5,10-12H2,1-2H3/t23-,24-/m0/s1
Definition date:	2011-02-02
Last modified:	2011-06-04
Identifier:	6-chloro-N-[(3S)-1-[(1S)-1-dimethylamino-2,3-dihydro-1H-inden-5-yl]-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide

C10

C10
Name:	HEXAETHYLENE GLYCOL MONODECYL ETHER
Formula:	C22 H46 O7
SMILES:	O(CCOCCCCCCCCCC)CCOCCOCCOCCOCCO
InChi:	InChI=1S/C22H46O7/c1-2-3-4-5-6-7-8-9-11-24-13-15-26-17-19-28-21-22-29-20-18-27-16-14-25-12-10-23/h23H,2-22H2,1H3
Definition date:	2005-01-12
Last modified:	2011-06-04
Identifier:	3,6,9,12,15,18-hexaoxaoctacosan-1-ol

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

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

C14

C14
Name:	TETRADECANE
Formula:	C14 H30
SMILES:	C(CCCCC)CCCCCCCC
InChi:	InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
Definition date:	2004-08-17
Last modified:	2011-06-04
Identifier:	tetradecane

C15

C15
Name:	N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE
Formula:	C17 H38 N O3 S
SMILES:	O=S(=O)(O)CCC[N+](C)(CCCCCCCCCCCC)C
InChi:	InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3/p+1
Definition date:	2002-05-28
Last modified:	2011-06-04
Identifier:	N,N-dimethyl-N-(3-sulfopropyl)dodecan-1-aminium

C16

C16
Name:	4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile
Formula:	C16 H10 N2 O2
SMILES:	N#Cc1ccc(cc1)N3C(=O)c2cccc(c2C3=O)C
InChi:	InChI=1S/C16H10N2O2/c1-10-3-2-4-13-14(10)16(20)18(15(13)19)12-7-5-11(9-17)6-8-12/h2-8H,1H3
Definition date:	2007-12-18
Last modified:	2011-06-04
Identifier:	4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile

C17

C17
Name:	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE
Formula:	C17 H11 Cl O4
SMILES:	Clc1cccc(c1)COc3ccc2c(OC(=O)C=C2C=O)c3
InChi:	InChI=1S/C17H11ClO4/c18-13-3-1-2-11(6-13)10-21-14-4-5-15-12(9-19)7-17(20)22-16(15)8-14/h1-9H,10H2
Definition date:	2007-07-13
Last modified:	2011-06-04
Identifier:	7-[(3-chlorobenzyl)oxy]-2-oxo-2H-chromene-4-carbaldehyde

C18

C18
Name:	7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE
Formula:	C18 H16 Cl N O3
SMILES:	Clc1cccc(c1)COc3ccc2c(OC(=O)C=C2CNC)c3
InChi:	InChI=1S/C18H16ClNO3/c1-20-10-13-8-18(21)23-17-9-15(5-6-16(13)17)22-11-12-3-2-4-14(19)7-12/h2-9,20H,10-11H2,1H3
Definition date:	2007-07-13
Last modified:	2011-06-04
Identifier:	7-[(3-chlorobenzyl)oxy]-4-[(methylamino)methyl]-2H-chromen-2-one

C19

C19
Name:	3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one
Formula:	C24 H23 N5 O
SMILES:	O=C5C(c2cc1cnc(nc1cc2)N)=C(C=CN5c3ccc4c(c3)NCC4(C)C)C
InChi:	InChI=1S/C24H23N5O/c1-14-8-9-29(17-5-6-18-20(11-17)27-13-24(18,2)3)22(30)21(14)15-4-7-19-16(10-15)12-26-23(25)28-19/h4-12,27H,13H2,1-3H3,(H2,25,26,28)
Definition date:	2008-04-01
Last modified:	2011-06-04
Identifier:	3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-4-methylpyridin-2(1H)-one

C1B

C1B
Name:	(2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID
Formula:	C26 H24 N6 O7
SMILES:	O=C(O)CC(C(=O)O)c4cc(c2nc1ccc(cc1n2)C(=[N@H])N)c(O)c(c3cc(ccc3O)CNC(=O)N)c4
InChi:	InChI=1S/C26H24N6O7/c27-23(28)12-2-3-18-19(8-12)32-24(31-18)17-7-13(14(25(37)38)9-21(34)35)6-16(22(17)36)15-5-11(1-4-20(15)33)10-30-26(29)39/h1-8,14,33,36H,9-10H2,(H3,27,28)(H,31,32)(H,34,35)(H,37,38)(H3,29,30,39)/t14-/m1/s1
Definition date:	2005-10-14
Last modified:	2011-06-04
Identifier:	(2R)-2-{5-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5'-[(carbamoylamino)methyl]-2',6-dihydroxybiphenyl-3-yl}butanedioic acid

C1D

C1D
Name:	1-(2-{[(6-AMINO-2-METHYLPYRIDIN-3-YL)METHYL]AMINO}ETHYL)-6-CHLORO-3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL
Formula:	C20 H30 Cl F2 N7 O
SMILES:	FC(F)(c1ncccc1)CNC2=NC=C(Cl)N(C2O)CCNCC3C(NC(N)CC3)C
InChi:	InChI=1S/C20H30ClF2N7O/c1-13-14(5-6-17(24)29-13)10-25-8-9-30-16(21)11-27-18(19(30)31)28-12-20(22,23)15-4-2-3-7-26-15/h2-4,7,11,13-14,17,19,25,29,31H,5-6,8-10,12,24H2,1H3,(H,27,28)/t13?,14?,17-,19?/m1/s1
Definition date:	2005-07-27
Last modified:	2011-06-04
Identifier:	(2S)-1-[2-({[(2R,3S,6R)-6-amino-2-methylpiperidin-3-yl]methyl}amino)ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1,2-dihydropyrazin-2-ol

C1E

C1E
Name:	(2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
Formula:	C12 H9 Cl O4
SMILES:	O=C(C=CC(/Cl)=C(/O)C(=O)O)c1ccccc1
InChi:	InChI=1S/C12H9ClO4/c13-9(11(15)12(16)17)6-7-10(14)8-4-2-1-3-5-8/h1-7,15H,(H,16,17)/b7-6+,11-9-
Definition date:	2007-11-06
Last modified:	2011-06-04
Identifier:	(2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid

C1F

C1F
Name:	3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC
Formula:	C12 H16 O5
SMILES:	O=C(O)CCc1oc(c(c1C(=O)O)C)CCC
InChi:	InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)
Definition date:	2005-07-26
Last modified:	2011-06-04
Identifier:	2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid

C1T

C1T
Name:	S-[(1S,6R)-3,6-dihydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-L-cysteine
Formula:	C10 H13 N O6 S
SMILES:	CC1=C(O)C(=O)[CH](SC[CH](N)C(O)=O)[CH](O)C1=O
InChi:	InChI=1S/C10H13NO6S/c1-3-5(12)7(14)9(8(15)6(3)13)18-2-4(11)10(16)17/h4,7,9,13-14H,2,11H2,1H3,(H,16,17)/t4-,7+,9-/m0/s1
Definition date:	2009-12-07
Last modified:	2011-06-04
Identifier:	(2R)-2-azanyl-3-[(1S,6R)-3,6-dihydroxy-4-methyl-2,5-dioxo-cyclohex-3-en-1-yl]sulfanyl-propanoic acid

NZQ

NZQ
Name:	5,6-DIHYDROXY-NADP
Formula:	C21 H32 N7 O19 P3
SMILES:	NC(=O)C1=CN([CH](O)[CH](O)C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H32N7O19P3/c22-16-11-18(25-5-24-16)28(6-26-11)21-15(46-48(35,36)37)13(31)10(45-21)4-43-50(40,41)47-49(38,39)42-3-9-12(30)14(32)20(44-9)27-2-7(17(23)33)1-8(29)19(27)34/h2,5-6,8-10,12-15,19-21,29-32,34H,1,3-4H2,(H2,23,33)(H,38,39)(H,40,41)(H2,22,24,25)(H2,35,36,37)/t8-,9+,10+,12+,13+,14+,15+,19-,20+,21+/m0/s1
Definition date:	2003-07-03
Last modified:	2011-06-04
Identifier:	[[(2R,3S,4R,5R)-5-[(2S,3S)-5-aminocarbonyl-2,3-dihydroxy-3,4-dihydro-2H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate

NZS

NZS
Name:	6-(1,1-dioxidothiomorpholin-4-yl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C17 H20 N6 O3 S
SMILES:	O=S4(=O)CCN(c2nc(Nc1cccc(OC)c1)c3cnn(c3n2)C)CC4
InChi:	InChI=1S/C17H20N6O3S/c1-22-16-14(11-18-22)15(19-12-4-3-5-13(10-12)26-2)20-17(21-16)23-6-8-27(24,25)9-7-23/h3-5,10-11H,6-9H2,1-2H3,(H,19,20,21)
Definition date:	2010-07-21
Last modified:	2011-06-04
Identifier:	6-(1,1-dioxidothiomorpholin-4-yl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

NZU

NZU
Name:	6-(2H-indazol-4-yl)-1-methyl-N-[3-(methylsulfonyl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C17 H19 N7 O2 S
SMILES:	O=S(=O)(C)CCCNc1nc(nc2c1cnn2C)c3cccc4nncc34
InChi:	InChI=1S/C17H19N7O2S/c1-24-17-13(10-20-24)15(18-7-4-8-27(2,25)26)21-16(22-17)11-5-3-6-14-12(11)9-19-23-14/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,19,23)(H,18,21,22)
Definition date:	2010-07-21
Last modified:	2011-06-04
Identifier:	6-(2H-indazol-4-yl)-1-methyl-N-[3-(methylsulfonyl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C24

C24
Name:	3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-5-CARBONYL}-PYRIDIN-2-YL-AMINO)-PROPIONIC ACID ETHYL ESTER
Formula:	C27 H29 N7 O3
SMILES:	O=C(OCC)CCN(c1ncccc1)C(=O)c4ccc2c(nc(n2C)CNc3ccc(C(=[N@H])N)cc3)c4
InChi:	InChI=1S/C27H29N7O3/c1-3-37-25(35)13-15-34(23-6-4-5-14-30-23)27(36)19-9-12-22-21(16-19)32-24(33(22)2)17-31-20-10-7-18(8-11-20)26(28)29/h4-12,14,16,31H,3,13,15,17H2,1-2H3,(H3,28,29)
Definition date:	2002-01-18
Last modified:	2011-06-04
Identifier:	ethyl N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alaninate

O04

O04
Name:	(E)-4-((tetrahydro-2H-pyran-2-yloxyimino)methyl)benzimidamide
Formula:	C13 H17 N3 O2
SMILES:	N(/OC1OCCCC1)=Cc2ccc(C(=[N@H])N)cc2
InChi:	InChI=1S/C13H17N3O2/c14-13(15)11-6-4-10(5-7-11)9-16-18-12-3-1-2-8-17-12/h4-7,9,12H,1-3,8H2,(H3,14,15)/b16-9+/t12-/m0/s1
Definition date:	2009-10-08
Last modified:	2011-06-04
Identifier:	4-[(E)-{[(2S)-tetrahydro-2H-pyran-2-yloxy]imino}methyl]benzenecarboximidamide

C27

C27
Name:	(6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
Formula:	C21 H25 N3 O2
SMILES:	O=C3N(C(=NC(CCc2cccc(c1cccc(OC)c1)c2)(C3)C)N)C
InChi:	InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/m1/s1
Definition date:	2007-08-30
Last modified:	2011-06-04
Identifier:	(6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one

O09

O09
Name:	(E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid
Formula:	C10 H11 N3 O3
SMILES:	O=C(O)CON=Cc1ccc(C(=[N@H])N)cc1
InChi:	InChI=1S/C10H11N3O3/c11-10(12)8-3-1-7(2-4-8)5-13-16-6-9(14)15/h1-5H,6H2,(H3,11,12)(H,14,15)/b13-5+
Definition date:	2009-10-08
Last modified:	2011-06-04
Identifier:	({[(E)-(4-carbamimidoylphenyl)methylidene]amino}oxy)acetic acid

C2D

C2D
Name:	6-CHLORO-1-(2-{[(5-CHLORO-1-BENZOTHIEN-3-YL)METHYL]AMINO}ETHYL)-3-[(2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL
Formula:	C22 H31 Cl2 N5 O S
SMILES:	ClC1N(C(O)C(=NC1)NCCC2NCCCC2)CCNCc3c4cc(Cl)ccc4sc3
InChi:	InChI=1S/C22H31Cl2N5OS/c23-16-4-5-19-18(11-16)15(14-31-19)12-25-9-10-29-20(24)13-28-21(22(29)30)27-8-6-17-3-1-2-7-26-17/h4-5,11,14,17,20,22,25-26,30H,1-3,6-10,12-13H2,(H,27,28)/t17-,20-,22?/m1/s1
Definition date:	2005-07-27
Last modified:	2011-06-04
Identifier:	(2R,6S)-6-chloro-1-(2-{[(5-chloro-1-benzothiophen-3-yl)methyl]amino}ethyl)-3-({2-[(2R)-piperidin-2-yl]ethyl}amino)-1,2,5,6-tetrahydropyrazin-2-ol

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