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0J5

0J5
Name:	(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid
Formula:	C8 H7 N5 O4
SMILES:	O=C(O)CC1=NNC=2N=C(NC(=O)C=2C1=O)N
InChi:	InChI=1S/C8H7N5O4/c9-8-10-6-4(7(17)11-8)5(16)2(12-13-6)1-3(14)15/h1H2,(H,14,15)(H4,9,10,11,13,16,17)
Definition date:	2012-01-20
Last modified:	2012-03-23
Identifier:	(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid

0J6

0J6
Name:	N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide
Formula:	C15 H11 N7 O
SMILES:	O=C(c2ccc1nncc1c2)Nc3cccc(c3)c4nnnn4
InChi:	InChI=1S/C15H11N7O/c23-15(10-4-5-13-11(6-10)8-16-18-13)17-12-3-1-2-9(7-12)14-19-21-22-20-14/h1-8H,(H,16,18)(H,17,23)(H,19,20,21,22)
Definition date:	2012-01-20
Last modified:	2012-03-23
Identifier:	N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide

0J7

0J7
Name:	3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
Formula:	C18 H13 N7 O
SMILES:	O=C(c2cccc(c1ncccn1)c2)Nc3cccc(c3)c4nnnn4
InChi:	InChI=1S/C18H13N7O/c26-18(14-6-1-4-12(10-14)16-19-8-3-9-20-16)21-15-7-2-5-13(11-15)17-22-24-25-23-17/h1-11H,(H,21,26)(H,22,23,24,25)
Definition date:	2012-01-20
Last modified:	2012-03-23
Identifier:	3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide

0JB

0JB
Name:	N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide
Formula:	C15 H11 N7 O
SMILES:	O=C(c2cccc1ncnc12)Nc3cccc(c3)c4nnnn4
InChi:	InChI=1S/C15H11N7O/c23-15(11-5-2-6-12-13(11)17-8-16-12)18-10-4-1-3-9(7-10)14-19-21-22-20-14/h1-8H,(H,16,17)(H,18,23)(H,19,20,21,22)
Definition date:	2012-01-20
Last modified:	2012-03-23
Identifier:	N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide

0N6

0N6
Name:	(R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
Formula:	C23 H26 N4 O3 S
SMILES:	O=C(N1CCCC1)C(NS(=O)(=O)c2cc3c(cc2)CNCC3)Cc4cccc(C#N)c4
InChi:	InChI=1S/C23H26N4O3S/c24-15-18-5-3-4-17(12-18)13-22(23(28)27-10-1-2-11-27)26-31(29,30)21-7-6-20-16-25-9-8-19(20)14-21/h3-7,12,14,22,25-26H,1-2,8-11,13,16H2/t22-/m1/s1
Definition date:	2012-03-15
Last modified:	2012-03-23
Identifier:	N-[(2R)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide

RC2

RC2
Name:	N-{3-[5-oxo-7-(piperazin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenyl}glycinamide
Formula:	C17 H19 N7 O2 S
SMILES:	O=C(Nc4cccc(C1=NN2C(=O)C=C(N=C2S1)N3CCNCC3)c4)CN
InChi:	InChI=1S/C17H19N7O2S/c18-10-14(25)20-12-3-1-2-11(8-12)16-22-24-15(26)9-13(21-17(24)27-16)23-6-4-19-5-7-23/h1-3,8-9,19H,4-7,10,18H2,(H,20,25)
Definition date:	2011-08-30
Last modified:	2012-03-23
Identifier:	N-{3-[5-oxo-7-(piperazin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenyl}glycinamide

C6A

C6A
Name:	N-[(2S,3R)-4-{[(2R,4S)-2-cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
Formula:	C29 H38 F2 N2 O3
SMILES:	Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)CNC2c4c(OC(C2)C3CC3)ccc(c4)CC(C)(C)C
InChi:	InChI=1S/C29H38F2N2O3/c1-17(34)33-25(12-19-9-21(30)13-22(31)10-19)26(35)16-32-24-14-28(20-6-7-20)36-27-8-5-18(11-23(24)27)15-29(2,3)4/h5,8-11,13,20,24-26,28,32,35H,6-7,12,14-16H2,1-4H3,(H,33,34)/t24-,25-,26+,28+/m0/s1
Definition date:	2011-02-08
Last modified:	2012-03-23
Identifier:	N-[(2S,3R)-4-{[(2R,4S)-2-cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide

BT9

BT9
Name:	3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid
Formula:	C14 H10 F3 N O2
SMILES:	FC(F)(F)c1ccc(cc1)Nc2cc(ccc2)C(=O)O
InChi:	InChI=1S/C14H10F3NO2/c15-14(16,17)10-4-6-11(7-5-10)18-12-3-1-2-9(8-12)13(19)20/h1-8,18H,(H,19,20)
Definition date:	2012-01-19
Last modified:	2012-03-23
Identifier:	3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid

DN3

DN3
Name:	3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
Formula:	C17 H18 N6 O
SMILES:	O=C(c1cccc(c1)CN(C)C)Nc2cccc(c2)c3nnnn3
InChi:	InChI=1S/C17H18N6O/c1-23(2)11-12-5-3-7-14(9-12)17(24)18-15-8-4-6-13(10-15)16-19-21-22-20-16/h3-10H,11H2,1-2H3,(H,18,24)(H,19,20,21,22)
Definition date:	2012-01-20
Last modified:	2012-03-23
Identifier:	3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide

DN6

DN6
Name:	N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
Formula:	C15 H10 F3 N5 O
SMILES:	FC(F)(F)c1cccc(c1)C(=O)Nc2cccc(c2)c3nnnn3
InChi:	InChI=1S/C15H10F3N5O/c16-15(17,18)11-5-1-4-10(7-11)14(24)19-12-6-2-3-9(8-12)13-20-22-23-21-13/h1-8H,(H,19,24)(H,20,21,22,23)
Definition date:	2012-01-20
Last modified:	2012-03-23
Identifier:	N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide

DN8

DN8
Name:	3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
Formula:	C14 H10 Br N5 O
SMILES:	Brc1cccc(c1)C(=O)Nc2cccc(c2)c3nnnn3
InChi:	InChI=1S/C14H10BrN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)
Definition date:	2012-01-20
Last modified:	2012-03-23
Identifier:	3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide

YS4

YS4
Name:	[({4-[4-(propan-2-yloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)
Formula:	C15 H20 N2 O7 P2
SMILES:	O=P(O)(O)C(Nc1nccc(c1)c2ccc(OC(C)C)cc2)P(=O)(O)O
InChi:	InChI=1S/C15H20N2O7P2/c1-10(2)24-13-5-3-11(4-6-13)12-7-8-16-14(9-12)17-15(25(18,19)20)26(21,22)23/h3-10,15H,1-2H3,(H,16,17)(H2,18,19,20)(H2,21,22,23)
Definition date:	2012-01-30
Last modified:	2012-03-16
Identifier:	[({4-[4-(propan-2-yloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)

T4E

T4E
Name:	4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol
Formula:	C15 H11 Cl N4 O
SMILES:	Clc3cc(c1nnc(nc1c2ccccc2)N)ccc3O
InChi:	InChI=1S/C15H11ClN4O/c16-11-8-10(6-7-12(11)21)14-13(18-15(17)20-19-14)9-4-2-1-3-5-9/h1-8,21H,(H2,17,18,20)
Definition date:	2011-12-22
Last modified:	2012-03-16
Identifier:	4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol

T4G

T4G
Name:	6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine
Formula:	C16 H15 N5
SMILES:	n2c(nnc(c1cc(nc(c1)C)C)c2c3ccccc3)N
InChi:	InChI=1S/C16H15N5/c1-10-8-13(9-11(2)18-10)15-14(19-16(17)21-20-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,19,21)
Definition date:	2011-12-22
Last modified:	2012-03-16
Identifier:	6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine

5MZ

5MZ
Name:	3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline
Formula:	C9 H8 Cl N3 O
SMILES:	ClCc1nc(no1)c2cc(ccc2)N
InChi:	InChI=1S/C9H8ClN3O/c10-5-8-12-9(13-14-8)6-2-1-3-7(11)4-6/h1-4H,5,11H2
Definition date:	2011-04-04
Last modified:	2012-03-16
Identifier:	3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline

Q8A

Q8A
Name:	quinolin-8-amine
Formula:	C9 H8 N2
SMILES:	n1cccc2cccc(N)c12
InChi:	InChI=1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2
Definition date:	2011-03-22
Last modified:	2012-03-16
Identifier:	quinolin-8-amine

0F9

0F9
Name:	4-chloro-2-(1H-pyrazol-3-yl)phenol
Formula:	C9 H7 Cl N2 O
SMILES:	Clc2ccc(O)c(c1nncc1)c2
InChi:	InChI=1S/C9H7ClN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
Definition date:	2012-01-04
Last modified:	2012-03-16
Identifier:	4-chloro-2-(1H-pyrazol-3-yl)phenol

0FK

0FK
Name:	8-hydroxyquinoline-2-carboxamide
Formula:	C10 H8 N2 O2
SMILES:	O=C(c1nc2c(O)cccc2cc1)N
InChi:	InChI=1S/C10H8N2O2/c11-10(14)7-5-4-6-2-1-3-8(13)9(6)12-7/h1-5,13H,(H2,11,14)
Definition date:	2012-01-04
Last modified:	2012-03-16
Identifier:	8-hydroxyquinoline-2-carboxamide

0FN

0FN
Name:	1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile
Formula:	C10 H5 N O2
SMILES:	O=C2c1ccccc1C(=O)C2C#N
InChi:	InChI=1S/C10H5NO2/c11-5-8-9(12)6-3-1-2-4-7(6)10(8)13/h1-4,8H
Definition date:	2012-01-04
Last modified:	2012-03-16
Identifier:	1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile

0FO

0FO
Name:	6-bromo-4-hydroxy-2H-chromen-2-one
Formula:	C9 H5 Br O3
SMILES:	Brc2ccc1OC(=O)C=C(O)c1c2
InChi:	InChI=1S/C9H5BrO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H
Definition date:	2012-01-04
Last modified:	2012-03-16
Identifier:	6-bromo-4-hydroxy-2H-chromen-2-one

0FR

0FR
Name:	furan-2-yl(1H-indol-3-yl)methanone
Formula:	C13 H9 N O2
SMILES:	O=C(c1cnc2ccccc12)c3occc3
InChi:	InChI=1S/C13H9NO2/c15-13(12-6-3-7-16-12)10-8-14-11-5-2-1-4-9(10)11/h1-8,14H
Definition date:	2012-01-04
Last modified:	2012-03-16
Identifier:	furan-2-yl(1H-indol-3-yl)methanone

0FS

0FS
Name:	(5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione
Formula:	C11 H6 F3 N O2 S
SMILES:	O=C1C(SC(=O)N1)=Cc2cccc(c2)C(F)(F)F
InChi:	InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)/b8-5-
Definition date:	2012-01-04
Last modified:	2012-03-16
Identifier:	(5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione

0HM

0HM
Name:	2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-hydroxypyridinium
Formula:	C24 H24 N5 O2
SMILES:	O=C(Nc1ccc(cc1)CN)c2c(O)ccc[n+]2Cc3nccn3Cc4ccccc4
InChi:	InChI=1S/C24H23N5O2/c25-15-18-8-10-20(11-9-18)27-24(31)23-21(30)7-4-13-29(23)17-22-26-12-14-28(22)16-19-5-2-1-3-6-19/h1-14H,15-17,25H2,(H-,27,30,31)/p+1
Definition date:	2012-01-19
Last modified:	2012-03-16
Identifier:	2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-hydroxypyridinium

0JQ

0JQ
Name:	2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol
Formula:	C24 H30 N4 O3
SMILES:	n3cc(c1c2cc(OC)c(OC)cc2nnc1)cc(c3N4CCC(CC4)C(O)(C)C)C
InChi:	InChI=1S/C24H30N4O3/c1-15-10-16(13-25-23(15)28-8-6-17(7-9-28)24(2,3)29)19-14-26-27-20-12-22(31-5)21(30-4)11-18(19)20/h10-14,17,29H,6-9H2,1-5H3
Definition date:	2012-01-26
Last modified:	2012-03-16
Identifier:	2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol

0JV

0JV
Name:	methyl N-[(3S,3aR,5R,6aR)-5-[[(2S,3R)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyloxy]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl]carbamate
Formula:	C31 H43 N3 O9 S
SMILES:	O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC(=O)OC3CC2C(OCC2NC(=O)OC)C3)Cc4ccccc4
InChi:	InChI=1S/C31H43N3O9S/c1-20(2)17-34(44(38,39)24-12-10-22(40-3)11-13-24)18-28(35)26(14-21-8-6-5-7-9-21)32-31(37)43-23-15-25-27(33-30(36)41-4)19-42-29(25)16-23/h5-13,20,23,25-29,35H,14-19H2,1-4H3,(H,32,37)(H,33,36)/t23-,25-,26+,27-,28-,29-/m1/s1
Definition date:	2012-01-27
Last modified:	2012-03-16
Identifier:	(3S,3aR,5R,6aR)-3-[(methoxycarbonyl)amino]hexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate (non-preferred name)

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