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0C9

0C9
Name:	2-({2-[(4-carboxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
Formula:	C18 H14 N4 O4
SMILES:	O=C(O)c1ccccc1Nc2nc(ncc2)Nc3ccc(C(=O)O)cc3
InChi:	InChI=1S/C18H14N4O4/c23-16(24)11-5-7-12(8-6-11)20-18-19-10-9-15(22-18)21-14-4-2-1-3-13(14)17(25)26/h1-10H,(H,23,24)(H,25,26)(H2,19,20,21,22)
Definition date:	2011-12-02
Last modified:	2012-01-20
Identifier:	2-({2-[(4-carboxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid

0CV

0CV
Name:	6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline
Formula:	C17 H21 N5 O
SMILES:	n2c1c(cc(OC)cc1c(c3c2nnc3C)N4CCNCC4)C
InChi:	InChI=1S/C17H21N5O/c1-10-8-12(23-3)9-13-15(10)19-17-14(11(2)20-21-17)16(13)22-6-4-18-5-7-22/h8-9,18H,4-7H2,1-3H3,(H,19,20,21)
Definition date:	2011-12-09
Last modified:	2012-01-20
Identifier:	6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline

TUC

TUC
Name:	(isoquinolin-5-yloxy)acetic acid
Formula:	C11 H9 N O3
SMILES:	O=C(O)COc1cccc2c1ccnc2
InChi:	InChI=1S/C11H9NO3/c13-11(14)7-15-10-3-1-2-8-6-12-5-4-9(8)10/h1-6H,7H2,(H,13,14)
Definition date:	2010-11-11
Last modified:	2012-01-13
Identifier:	(isoquinolin-5-yloxy)acetic acid

ZDV

ZDV
Name:	1-(3-fluorophenyl)methanamine
Formula:	C7 H8 F N
SMILES:	Fc1cc(ccc1)CN
InChi:	InChI=1S/C7H8FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
Definition date:	2010-11-15
Last modified:	2012-01-13
Identifier:	1-(3-fluorophenyl)methanamine

0ML

0ML
Name:	(2S,3S)-3-amino-2-hydroxy-N-(4-iodobenzyl)butanamide
Formula:	C11 H15 I N2 O2
SMILES:	Ic1ccc(cc1)CNC(=O)C(O)C(N)C
InChi:	InChI=1S/C11H15IN2O2/c1-7(13)10(15)11(16)14-6-8-2-4-9(12)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)/t7-,10-/m0/s1
Definition date:	2010-11-02
Last modified:	2012-01-13
Identifier:	(2S,3S)-3-amino-2-hydroxy-N-(4-iodobenzyl)butanamide

KNL

KNL
Name:	(2,6-dichlorophenoxy)acetic acid
Formula:	C8 H6 Cl2 O3
SMILES:	Clc1cccc(Cl)c1OCC(=O)O
InChi:	InChI=1S/C8H6Cl2O3/c9-5-2-1-3-6(10)8(5)13-4-7(11)12/h1-3H,4H2,(H,11,12)
Definition date:	2010-11-11
Last modified:	2012-01-13
Identifier:	(2,6-dichlorophenoxy)acetic acid

KNN

KNN
Name:	1-(2-methylphenyl)methanamine
Formula:	C8 H11 N
SMILES:	NCc1ccccc1C
InChi:	InChI=1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2-5H,6,9H2,1H3
Definition date:	2010-11-11
Last modified:	2012-01-13
Identifier:	1-(2-methylphenyl)methanamine

KNP

KNP
Name:	(2,6-difluorophenoxy)acetic acid
Formula:	C8 H6 F2 O3
SMILES:	O=C(O)COc1c(F)cccc1F
InChi:	InChI=1S/C8H6F2O3/c9-5-2-1-3-6(10)8(5)13-4-7(11)12/h1-3H,4H2,(H,11,12)
Definition date:	2010-11-11
Last modified:	2012-01-13
Identifier:	(2,6-difluorophenoxy)acetic acid

Z0A

Z0A
Name:	(3S)-3-[(2R)-2-amino-5-oxohexyl]pyrrolidin-2-one
Formula:	C10 H18 N2 O2
SMILES:	O=C1NCCC1CC(N)CCC(=O)C
InChi:	InChI=1S/C10H18N2O2/c1-7(13)2-3-9(11)6-8-4-5-12-10(8)14/h8-9H,2-6,11H2,1H3,(H,12,14)/t8-,9+/m0/s1
Definition date:	2010-11-17
Last modified:	2012-01-13
Identifier:	(3S)-3-[(2R)-2-amino-5-oxohexyl]pyrrolidin-2-one

0TH

0TH
Name:	N-(propylsulfonyl)-D-threonine
Formula:	C7 H15 N O5 S
SMILES:	O=S(=O)(NC(C(=O)O)C(O)C)CCC
InChi:	InChI=1S/C7H15NO5S/c1-3-4-14(12,13)8-6(5(2)9)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m0/s1
Definition date:	2011-03-23
Last modified:	2012-01-13
Identifier:	N-(propylsulfonyl)-D-threonine

JHG

JHG
Name:	4-{(3-phenylpropyl)[(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide
Formula:	C28 H31 F3 N4 O3 S
SMILES:	O=S(=O)(N(C2C(NCc1ccc(cc1)C(F)(F)F)CNC2)CCCc3ccccc3)c4ccc(C(=O)N)cc4
InChi:	InChI=1S/C28H31F3N4O3S/c29-28(30,31)23-12-8-21(9-13-23)17-34-25-18-33-19-26(25)35(16-4-7-20-5-2-1-3-6-20)39(37,38)24-14-10-22(11-15-24)27(32)36/h1-3,5-6,8-15,25-26,33-34H,4,7,16-19H2,(H2,32,36)/t25-,26-/m0/s1
Definition date:	2011-02-01
Last modified:	2012-01-13
Identifier:	4-{(3-phenylpropyl)[(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide

K0L

K0L
Name:	(4-amino-2,6-dimethylphenoxy)acetic acid
Formula:	C10 H13 N O3
SMILES:	O=C(O)COc1c(cc(cc1C)N)C
InChi:	InChI=1S/C10H13NO3/c1-6-3-8(11)4-7(2)10(6)14-5-9(12)13/h3-4H,5,11H2,1-2H3,(H,12,13)
Definition date:	2010-11-10
Last modified:	2012-01-13
Identifier:	(4-amino-2,6-dimethylphenoxy)acetic acid

2PS

2PS
Name:	phenyl (3S)-3-amino-5-phenylpentane-1-sulfonate
Formula:	C17 H21 N O3 S
SMILES:	O=S(=O)(Oc1ccccc1)CCC(N)CCc2ccccc2
InChi:	InChI=1S/C17H21NO3S/c18-16(12-11-15-7-3-1-4-8-15)13-14-22(19,20)21-17-9-5-2-6-10-17/h1-10,16H,11-14,18H2/t16-/m0/s1
Definition date:	2011-03-23
Last modified:	2012-01-13
Identifier:	phenyl (3S)-3-amino-5-phenylpentane-1-sulfonate

2UA

2UA
Name:	(3S)-3-[(2R)-2-amino-5-cyclopropyl-5-oxopentyl]pyrrolidin-2-one
Formula:	C12 H20 N2 O2
SMILES:	O=C1NCCC1CC(N)CCC(=O)C2CC2
InChi:	InChI=1S/C12H20N2O2/c13-10(3-4-11(15)8-1-2-8)7-9-5-6-14-12(9)16/h8-10H,1-7,13H2,(H,14,16)/t9-,10+/m0/s1
Definition date:	2010-11-10
Last modified:	2012-01-13
Identifier:	(3S)-3-[(2R)-2-amino-5-cyclopropyl-5-oxopentyl]pyrrolidin-2-one

MI0

MI0
Name:	(3R,4S)-4-azanyl-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-methyl-pentanamide
Formula:	C12 H22 F2 N2 O2
SMILES:	O=C(NC)C(F)(F)C(O)C(N)CC1CCCCC1
InChi:	InChI=1S/C12H22F2N2O2/c1-16-11(18)12(13,14)10(17)9(15)7-8-5-3-2-4-6-8/h8-10,17H,2-7,15H2,1H3,(H,16,18)/t9-,10+/m0/s1
Definition date:	2010-11-09
Last modified:	2012-01-13
Identifier:	(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-methylpentanamide (non-preferred name)

MZH

MZH
Name:	1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione
Formula:	C10 H12 N2 O5
SMILES:	O=C1N(C(=O)CC1)COCN2C(=O)CCC2=O
InChi:	InChI=1S/C10H12N2O5/c13-7-1-2-8(14)11(7)5-17-6-12-9(15)3-4-10(12)16/h1-6H2
Definition date:	2011-02-24
Last modified:	2012-01-13
Identifier:	1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione

44A

44A
Name:	9-beta-D-ribofuranuronosyl-9H-purin-6-amine
Formula:	C10 H11 N5 O5
SMILES:	O=C(O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C10H11N5O5/c11-7-3-8(13-1-12-7)15(2-14-3)9-5(17)4(16)6(20-9)10(18)19/h1-2,4-6,9,16-17H,(H,18,19)(H2,11,12,13)/t4-,5+,6-,9+/m0/s1
Definition date:	2010-05-25
Last modified:	2012-01-13
Identifier:	9-(beta-D-ribofuranuronosyl)-9H-purin-6-amine

OKJ

OKJ
Name:	(2S,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanal
Formula:	C10 H13 N O3
SMILES:	O=CC(O)C(N)Cc1ccc(O)cc1
InChi:	InChI=1S/C10H13NO3/c11-9(10(14)6-12)5-7-1-3-8(13)4-2-7/h1-4,6,9-10,13-14H,5,11H2/t9-,10+/m0/s1
Definition date:	2011-04-19
Last modified:	2012-01-13
Identifier:	(2S,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanal

P0L

P0L
Name:	(2S)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid
Formula:	C14 H22 N O5 P
SMILES:	O=C(O)C(OP(=O)(O)C(N)CC(C)C)Cc1ccccc1
InChi:	InChI=1S/C14H22NO5P/c1-10(2)8-13(15)21(18,19)20-12(14(16)17)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,15H2,1-2H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1
Definition date:	2010-10-28
Last modified:	2012-01-13
Identifier:	(2S)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid

P0Y

P0Y
Name:	(2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-[(pyridin-3-ylmethyl)sulfanyl]piperidine-2-carboxylic acid
Formula:	C22 H29 N3 O3 S
SMILES:	O=C(O)C3N(CC(O)C(N)Cc1ccccc1)CCC(SCc2cccnc2)C3
InChi:	InChI=1S/C22H29N3O3S/c23-19(11-16-5-2-1-3-6-16)21(26)14-25-10-8-18(12-20(25)22(27)28)29-15-17-7-4-9-24-13-17/h1-7,9,13,18-21,26H,8,10-12,14-15,23H2,(H,27,28)/t18-,19+,20+,21-/m1/s1
Definition date:	2010-11-03
Last modified:	2012-01-13
Identifier:	(2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-[(pyridin-3-ylmethyl)sulfanyl]piperidine-2-carboxylic acid

508

508
Name:	(1R,4'S)-3,4-dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone
Formula:	C31 H34 N2 O
SMILES:	O=C(N3C(c1ccccc1)CC(c2ccccc2)CC3)C6C5(c4ccccc4CCC5)CNC6
InChi:	InChI=1S/C31H34N2O/c34-30(28-21-32-22-31(28)18-9-15-24-12-7-8-16-27(24)31)33-19-17-26(23-10-3-1-4-11-23)20-29(33)25-13-5-2-6-14-25/h1-8,10-14,16,26,28-29,32H,9,15,17-22H2/t26-,28+,29+,31+/m1/s1
Definition date:	2011-11-04
Last modified:	2012-01-13
Identifier:	(1R,4'S)-3,4-dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone

PKC

PKC
Name:	(2R,3S)-1,3-diamino-4-phenylbutan-2-ol
Formula:	C10 H16 N2 O
SMILES:	OC(C(N)Cc1ccccc1)CN
InChi:	InChI=1S/C10H16N2O/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,11-12H2/t9-,10+/m0/s1
Definition date:	2008-11-07
Last modified:	2012-01-13
Identifier:	(2R,3S)-1,3-diamino-4-phenylbutan-2-ol

6CF

6CF
Name:	2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine
Formula:	C10 H16 F2 N3 O12 P3
SMILES:	O=P(O)(O)OP(=O)(O)C(F)(F)P(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O
InChi:	InChI=1S/C10H16F2N3O12P3/c11-10(12,29(20,21)27-30(22,23)24)28(18,19)25-4-6-5(16)3-8(26-6)15-2-1-7(13)14-9(15)17/h1-2,5-6,8,16H,3-4H2,(H,18,19)(H,20,21)(H2,13,14,17)(H2,22,23,24)/t5-,6+,8+/m0/s1
Definition date:	2011-04-19
Last modified:	2012-01-13
Identifier:	2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine

Q00

Q00
Name:	N-[(3S)-3-amino-4-phenylbutyl]-L-phenylalanine
Formula:	C19 H24 N2 O2
SMILES:	O=C(O)C(NCCC(N)Cc1ccccc1)Cc2ccccc2
InChi:	InChI=1S/C19H24N2O2/c20-17(13-15-7-3-1-4-8-15)11-12-21-18(19(22)23)14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14,20H2,(H,22,23)/t17-,18+/m1/s1
Definition date:	2010-11-17
Last modified:	2012-01-13
Identifier:	N-[(3S)-3-amino-4-phenylbutyl]-L-phenylalanine

Q24

Q24
Name:	quinazoline-2,4-diamine
Formula:	C8 H8 N4
SMILES:	n2c1c(cccc1)c(nc2N)N
InChi:	InChI=1S/C8H8N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,(H4,9,10,11,12)
Definition date:	2011-04-07
Last modified:	2012-01-13
Identifier:	quinazoline-2,4-diamine

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