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0UM

0UM
Name:	(2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid
Formula:	C18 H29 N7 O5
SMILES:	O=C(O)C(N)CCC(NCCC)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C18H29N7O5/c1-2-5-21-9(3-4-10(19)18(28)29)6-11-13(26)14(27)17(30-11)25-8-24-12-15(20)22-7-23-16(12)25/h7-11,13-14,17,21,26-27H,2-6,19H2,1H3,(H,28,29)(H2,20,22,23)/t9-,10-,11+,13+,14+,17+/m0/s1
Definition date:	2012-06-20
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	(2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid (non-preferred name)

LDZ

LDZ
Name:	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide
Formula:	C26 H41 N3 O5
SMILES:	O=CC(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C
InChi:	InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1
Definition date:	2012-02-13
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide

MQN

MQN
Name:	2-methylquinolin-6-amine
Formula:	C10 H10 N2
SMILES:	n1c(ccc2cc(ccc12)N)C
InChi:	InChI=1S/C10H10N2/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,11H2,1H3
Definition date:	2012-07-23
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	2-methylquinolin-6-amine

16Y

16Y
Name:	16-hydroxyhexadecanoic acid
Formula:	C16 H32 O3
SMILES:	O=C(O)CCCCCCCCCCCCCCCO
InChi:	InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)
Definition date:	2012-08-22
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	16-hydroxyhexadecanoic acid

PK0

PK0
Name:	4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Formula:	C19 H14 F3 N3 O3
SMILES:	FC(F)(F)c3cc(N2C(=O)N(C)C(c1ccc(O)cc1)(C2=O)C)ccc3C#N
InChi:	InChI=1S/C19H14F3N3O3/c1-18(12-4-7-14(26)8-5-12)16(27)25(17(28)24(18)2)13-6-3-11(10-23)15(9-13)19(20,21)22/h3-9,26H,1-2H3/t18-/m1/s1
Definition date:	2011-12-20
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

PK1

PK1
Name:	(5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one
Formula:	C17 H14 Cl2 N2 O2 S
SMILES:	Clc3ccc(N2C(=S)N(C)C(c1ccc(O)cc1)(C2=O)C)cc3Cl
InChi:	InChI=1S/C17H14Cl2N2O2S/c1-17(10-3-6-12(22)7-4-10)15(23)21(16(24)20(17)2)11-5-8-13(18)14(19)9-11/h3-9,22H,1-2H3/t17-/m1/s1
Definition date:	2011-12-20
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	(5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one

PZB

PZB
Name:	4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol
Formula:	C15 H12 N2 O3
SMILES:	Oc3cc(O)c(c2nncc2Oc1ccccc1)cc3
InChi:	InChI=1S/C15H12N2O3/c18-10-6-7-12(13(19)8-10)15-14(9-16-17-15)20-11-4-2-1-3-5-11/h1-9,18-19H,(H,16,17)
Definition date:	2012-07-23
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol

TDH

TDH
Name:	4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol
Formula:	C14 H11 N3 O2
SMILES:	n2nn(c1ccc(O)cc1)c(c2)c3ccc(O)cc3
InChi:	InChI=1S/C14H11N3O2/c18-12-5-1-10(2-6-12)14-9-15-16-17(14)11-3-7-13(19)8-4-11/h1-9,18-19H
Definition date:	2012-07-20
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol

0CG

0CG
Name:	prop-2-yn-1-yl trihydrogen diphosphate
Formula:	C3 H6 O7 P2
SMILES:	O=P(O)(O)OP(=O)(OCC#C)O
InChi:	InChI=1S/C3H6O7P2/c1-2-3-9-12(7,8)10-11(4,5)6/h1H,3H2,(H,7,8)(H2,4,5,6)
Definition date:	2011-12-08
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	prop-2-yn-1-yl trihydrogen diphosphate

0CH

0CH
Name:	4-hydroxybutyl trihydrogen diphosphate
Formula:	C4 H12 O8 P2
SMILES:	O=P(O)(O)OP(=O)(OCCCCO)O
InChi:	InChI=1S/C4H12O8P2/c5-3-1-2-4-11-14(9,10)12-13(6,7)8/h5H,1-4H2,(H,9,10)(H2,6,7,8)
Definition date:	2011-12-08
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	4-hydroxybutyl trihydrogen diphosphate

0CJ

0CJ
Name:	4-oxopentyl trihydrogen diphosphate
Formula:	C5 H12 O8 P2
SMILES:	O=P(O)(O)OP(=O)(OCCCC(=O)C)O
InChi:	InChI=1S/C5H12O8P2/c1-5(6)3-2-4-12-15(10,11)13-14(7,8)9/h2-4H2,1H3,(H,10,11)(H2,7,8,9)
Definition date:	2011-12-08
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	4-oxopentyl trihydrogen diphosphate

0CM

0CM
Name:	but-2-yn-1-yl trihydrogen diphosphate
Formula:	C4 H8 O7 P2
SMILES:	O=P(O)(O)OP(=O)(OCC#CC)O
InChi:	InChI=1S/C4H8O7P2/c1-2-3-4-10-13(8,9)11-12(5,6)7/h4H2,1H3,(H,8,9)(H2,5,6,7)
Definition date:	2011-12-08
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	but-2-yn-1-yl trihydrogen diphosphate

0CN

0CN
Name:	buta-2,3-dien-1-yl trihydrogen diphosphate
Formula:	C4 H8 O7 P2
SMILES:	O=P(O)(O)OP(=O)(OCC=C=C)O
InChi:	InChI=1S/C4H8O7P2/c1-2-3-4-10-13(8,9)11-12(5,6)7/h3H,1,4H2,(H,8,9)(H2,5,6,7)
Definition date:	2011-12-15
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	buta-2,3-dien-1-yl trihydrogen diphosphate

J53

J53
Name:	(2S)-2-{4-butoxy-3-[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic acid
Formula:	C33 H43 N O4
SMILES:	O=C(O)C(CC)Cc1cc(c(OCCCC)cc1)CNC(=O)c2ccc(cc2)C35CC4CC(CC(C3)C4)C5
InChi:	InChI=1S/C33H43NO4/c1-3-5-12-38-30-11-6-22(16-26(4-2)32(36)37)17-28(30)21-34-31(35)27-7-9-29(10-8-27)33-18-23-13-24(19-33)15-25(14-23)20-33/h6-11,17,23-26H,3-5,12-16,18-21H2,1-2H3,(H,34,35)(H,36,37)/t23-,24+,25-,26-,33-/m0/s1
Definition date:	2012-07-24
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	(2S)-2-{4-butoxy-3-[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic acid

UMC

UMC
Name:	2'-deoxy-5'-uridylic acid
Formula:	C9 H15 N2 O8 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)NC(=O)CC1)CC2O
InChi:	InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h5-6,8,12H,1-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Definition date:	2012-08-03
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	2'-deoxy-5'-uridylic acid

0MM

0MM
Name:	[4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-chloropyridin-3-yl)-5-methyl-1,2-oxazol-4-yl]methanone
Formula:	C20 H17 Cl2 N5 O4
SMILES:	[O-][N+](=O)c1ccc(c(Cl)c1)N4CCN(C(=O)c3c(onc3c2c(Cl)nccc2)C)CC4
InChi:	InChI=1S/C20H17Cl2N5O4/c1-12-17(18(24-31-12)14-3-2-6-23-19(14)22)20(28)26-9-7-25(8-10-26)16-5-4-13(27(29)30)11-15(16)21/h2-6,11H,7-10H2,1H3
Definition date:	2011-08-24
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	[4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-chloropyridin-3-yl)-5-methyl-1,2-oxazol-4-yl]methanone

MH9

MH9
Name:	(2E,4E)-DODECA-2,4-DIENOIC ACID
Formula:	C12 H20 O2
SMILES:	O=C(O)C=CC=CCCCCCCC
InChi:	InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,2-7H2,1H3,(H,13,14)/b9-8+,11-10+
Definition date:	2011-03-28
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	(2E,4E)-dodeca-2,4-dienoic acid

0WV

0WV
Name:	2-methyl-5-(prop-1-en-2-yl)phenol
Formula:	C10 H12 O
SMILES:	Oc1cc(C(=C)C)ccc1C
InChi:	InChI=1S/C10H12O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-6,11H,1H2,2-3H3
Definition date:	2012-08-08
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	2-methyl-5-(prop-1-en-2-yl)phenol

0X1

0X1
Name:	(5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate
Formula:	C24 H22 N5 O7 P
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1CNC2=Cc5c(N3C(=O)NN=C23)ccc(Oc4ccccc4)c5)C
InChi:	InChI=1S/C24H22N5O7P/c1-14-22(30)19(16(11-25-14)13-35-37(32,33)34)12-26-20-10-15-9-18(36-17-5-3-2-4-6-17)7-8-21(15)29-23(20)27-28-24(29)31/h2-11,26,30H,12-13H2,1H3,(H,28,31)(H2,32,33,34)
Definition date:	2012-08-16
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	(5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate

14K

14K
Name:	4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
Formula:	C22 H28 F N9 O3 S
SMILES:	O=S(=O)(N4CCN(C(c2cc(c1nc(nc(n1)N)C)c(nc2)Nc3cc(F)c(OC)nc3)C)CC4)C
InChi:	InChI=1S/C22H28FN9O3S/c1-13(31-5-7-32(8-6-31)36(4,33)34)15-9-17(20-27-14(2)28-22(24)30-20)19(25-11-15)29-16-10-18(23)21(35-3)26-12-16/h9-13H,5-8H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m1/s1
Definition date:	2012-06-20
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine

NZF

NZF
Name:	(3S)-N-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide
Formula:	C27 H30 F3 N5 O5
SMILES:	FC(F)(F)Oc1cccc(c1)CNC(=O)C4CCCN(c2nc(ncc2)Nc3cc(OC)c(OC)c(OC)c3)C4
InChi:	InChI=1S/C27H30F3N5O5/c1-37-21-13-19(14-22(38-2)24(21)39-3)33-26-31-10-9-23(34-26)35-11-5-7-18(16-35)25(36)32-15-17-6-4-8-20(12-17)40-27(28,29)30/h4,6,8-10,12-14,18H,5,7,11,15-16H2,1-3H3,(H,32,36)(H,31,33,34)/t18-/m0/s1
Definition date:	2012-06-22
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	(3S)-N-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide

99B

99B
Name:	5-[(2R)-butan-2-ylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide
Formula:	C29 H37 N5 O3
SMILES:	O=C(N)c1c(NC(C)CC)cc(c(c1)C)C(=O)NC5CC4N(c3ncc(C(=O)C2CC2)cc3)C(CC4)C5
InChi:	InChI=1S/C29H37N5O3/c1-4-17(3)32-25-14-23(16(2)11-24(25)28(30)36)29(37)33-20-12-21-8-9-22(13-20)34(21)26-10-7-19(15-31-26)27(35)18-5-6-18/h7,10-11,14-15,17-18,20-22,32H,4-6,8-9,12-13H2,1-3H3,(H2,30,36)(H,33,37)/t17-,20-,21+,22-/m1/s1
Definition date:	2012-06-06
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methyl-5-{[(1R)-1-methylpropyl]amino}benzene-1,4-dicarboxamide

E57

E57
Name:	N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide
Formula:	C22 H26 Cl N5 O3
SMILES:	Clc1cccc(c1)C(NC(=O)c3cc(c2nc(ncc2C)NC(CC)CO)cn3)CO
InChi:	InChI=1S/C22H26ClN5O3/c1-3-17(11-29)26-22-25-9-13(2)20(28-22)15-8-18(24-10-15)21(31)27-19(12-30)14-5-4-6-16(23)7-14/h4-10,17,19,24,29-30H,3,11-12H2,1-2H3,(H,27,31)(H,25,26,28)/t17-,19+/m0/s1
Definition date:	2012-07-09
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide

E63

E63
Name:	6-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3H-indazol-3-one
Formula:	C23 H21 N9 O
SMILES:	O=C2c1ccc(cc1NN2)Nc6nc(Nc3cc(nn3)C4CC4)c(Nc5ccccc5)cn6
InChi:	InChI=1S/C23H21N9O/c33-22-16-9-8-15(10-18(16)30-32-22)26-23-24-12-19(25-14-4-2-1-3-5-14)21(28-23)27-20-11-17(29-31-20)13-6-7-13/h1-5,8-13,25H,6-7H2,(H2,30,32,33)(H3,24,26,27,28,29,31)
Definition date:	2012-07-09
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	6-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3H-indazol-3-one

E71

E71
Name:	3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5-(pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
Formula:	C21 H12 F2 N4 O
SMILES:	Fc1cccc(c1F)c2c(onc2)c5c4cc(c3ccncc3)cnc4nc5
InChi:	InChI=1S/C21H12F2N4O/c22-18-3-1-2-14(19(18)23)17-11-27-28-20(17)16-10-26-21-15(16)8-13(9-25-21)12-4-6-24-7-5-12/h1-11H,(H,25,26)
Definition date:	2012-07-09
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5-(pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

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