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EV0

EV0
Name:	2-amino-6-propylpyrimidin-4(3H)-one
Formula:	C7 H11 N3 O
SMILES:	O=C1C=C(N=C(N)N1)CCC
InChi:	InChI=1S/C7H11N3O/c1-2-3-5-4-6(11)10-7(8)9-5/h4H,2-3H2,1H3,(H3,8,9,10,11)
Definition date:	2009-06-18
Last modified:	2011-06-04
Identifier:	2-amino-6-propylpyrimidin-4(3H)-one

EV2

EV2
Name:	3-pyrrolidin-1-ylquinoxalin-2-amine
Formula:	C12 H14 N4
SMILES:	n1c3ccccc3nc(c1N2CCCC2)N
InChi:	InChI=1S/C12H14N4/c13-11-12(16-7-3-4-8-16)15-10-6-2-1-5-9(10)14-11/h1-2,5-6H,3-4,7-8H2,(H2,13,14)
Definition date:	2009-06-18
Last modified:	2011-06-04
Identifier:	3-pyrrolidin-1-ylquinoxalin-2-amine

EV4

EV4
Name:	4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide
Formula:	C18 H25 Cl N4 O
SMILES:	Clc1cc2nc(N)n(c2cc1)CCCC(=O)N(C3CCCCC3)C
InChi:	InChI=1S/C18H25ClN4O/c1-22(14-6-3-2-4-7-14)17(24)8-5-11-23-16-10-9-13(19)12-15(16)21-18(23)20/h9-10,12,14H,2-8,11H2,1H3,(H2,20,21)
Definition date:	2010-05-04
Last modified:	2011-06-04
Identifier:	4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide

EVA

EVA
Name:	(2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid
Formula:	C6 H9 N O6
SMILES:	O=C(O)C1NC(=O)C(O)C(O)C1O
InChi:	InChI=1S/C6H9NO6/c8-2-1(6(12)13)7-5(11)4(10)3(2)9/h1-4,8-10H,(H,7,11)(H,12,13)/t1-,2+,3-,4+/m0/s1
Definition date:	2009-10-08
Last modified:	2011-06-04
Identifier:	(2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid

EWA

EWA
Name:	[(1S)-1-{[(2,6-DIMETHOXYPHENYL)CARBONYL]AMINO}ETHYL]BORONIC ACID
Formula:	C11 H16 B N O5
SMILES:	O=C(c1c(OC)cccc1OC)NC(B(O)O)C
InChi:	InChI=1S/C11H16BNO5/c1-7(12(15)16)13-11(14)10-8(17-2)5-4-6-9(10)18-3/h4-7,15-16H,1-3H3,(H,13,14)/t7-/m1/s1
Definition date:	2010-07-21
Last modified:	2011-06-04
Identifier:	[(1S)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}ethyl]boronic acid

EWB

EWB
Name:	[(1S)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)
Formula:	C16 H19 B N O4
SMILES:	O=C(c1ccccc1Cc2ccccc2)NC([B-](O)(O)O)C
InChi:	InChI=1S/C16H19BNO4/c1-12(17(20,21)22)18-16(19)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12,20-22H,11H2,1H3,(H,18,19)/q-1/t12-/m1/s1
Definition date:	2010-07-07
Last modified:	2011-06-04
Identifier:	[(1S)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)

EZR

EZR
Name:	3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline
Formula:	C26 H27 N7 O
SMILES:	O(c1cc(N)ccc1c2cc3c(cc2)c(nn3)c6nc5c(N4CCN(C)CC4)cccc5n6)C
InChi:	InChI=1S/C26H27N7O/c1-32-10-12-33(13-11-32)22-5-3-4-20-25(22)29-26(28-20)24-19-8-6-16(14-21(19)30-31-24)18-9-7-17(27)15-23(18)34-2/h3-9,14-15H,10-13,27H2,1-2H3,(H,28,29)(H,30,31)
Definition date:	2008-10-24
Last modified:	2011-06-04
Identifier:	3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline

EZT

EZT
Name:	(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL
Formula:	C27 H29 F3 O2
SMILES:	FC(F)(F)c1ccccc1C=CC4(O)CCC5C3C(c2ccc(O)cc2CC3)CCC45C
InChi:	InChI=1S/C27H29F3O2/c1-25-13-11-21-20-9-7-19(31)16-18(20)6-8-22(21)24(25)12-15-26(25,32)14-10-17-4-2-3-5-23(17)27(28,29)30/h2-5,7,9-10,14,16,21-22,24,31-32H,6,8,11-13,15H2,1H3/b14-10+/t21-,22-,24+,25+,26+/m1/s1
Definition date:	2007-03-08
Last modified:	2011-06-04
Identifier:	(14beta,17alpha)-17-{(E)-2-[2-(trifluoromethyl)phenyl]ethenyl}estra-1(10),2,4-triene-3,17-diol

EZV

EZV
Name:	4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline
Formula:	C25 H25 N7
SMILES:	n3nc2cc(c1ccc(N)cc1)ccc2c3c6nc5c(c(N4CCN(C)CC4)ccc5)n6
InChi:	InChI=1S/C25H25N7/c1-31-11-13-32(14-12-31)22-4-2-3-20-24(22)28-25(27-20)23-19-10-7-17(15-21(19)29-30-23)16-5-8-18(26)9-6-16/h2-10,15H,11-14,26H2,1H3,(H,27,28)(H,29,30)
Definition date:	2008-11-04
Last modified:	2011-06-04
Identifier:	4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline

F10

F10
Name:	2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
Formula:	C18 H14 F N3 O
SMILES:	Fc1ccccc1c4nccc(c3cc2C(=O)NCCc2n3)c4
InChi:	InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)
Definition date:	2007-04-18
Last modified:	2011-06-04
Identifier:	2-[2-(2-fluorophenyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one

F13

F13
Name:	3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
Formula:	C14 H10 F N5 O
SMILES:	Fc1cccc(c1)C(=O)Nc2cccc(c2)c3nnnn3
InChi:	InChI=1S/C14H10FN5O/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:	2009-02-03
Last modified:	2011-06-04
Identifier:	3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide

F15

F15
Name:	PENTADECANOIC ACID
Formula:	C15 H30 O2
SMILES:	O=C(O)CCCCCCCCCCCCCC
InChi:	InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
Definition date:	2004-11-16
Last modified:	2011-06-04
Identifier:	pentadecanoic acid

F16

F16
Name:	5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE
Formula:	C9 H7 N O4 S
SMILES:	O=C2C=C(c1cccc(O)c1)S(=O)(=O)N2
InChi:	InChI=1S/C9H7NO4S/c11-7-3-1-2-6(4-7)8-5-9(12)10-15(8,13)14/h1-5,11H,(H,10,12)
Definition date:	2006-05-04
Last modified:	2011-06-04
Identifier:	5-(3-hydroxyphenyl)isothiazol-3(2H)-one 1,1-dioxide

F19

F19
Name:	2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATE
Formula:	C12 H14 N O6 P S
SMILES:	O=P(O)(O)OCCNS(=O)(=O)c2ccc1c(cccc1)c2
InChi:	InChI=1S/C12H14NO6PS/c14-20(15,16)19-8-7-13-21(17,18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H2,14,15,16)
Definition date:	2006-04-27
Last modified:	2011-06-04
Identifier:	2-[(naphthalen-2-ylsulfonyl)amino]ethyl dihydrogen phosphate

F2A

F2A
Name:	2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine
Formula:	C11 H18 N5 O11 P3
SMILES:	O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:	InChI=1S/C11H18N5O11P3/c12-10-9-11(14-3-13-10)16(4-15-9)8-1-6(17)7(26-8)2-25-28(18,19)5-29(20,21)27-30(22,23)24/h3-4,6-8,17H,1-2,5H2,(H,18,19)(H,20,21)(H2,12,13,14)(H2,22,23,24)/t6-,7+,8+/m0/s1
Definition date:	2008-02-04
Last modified:	2011-06-04
Identifier:	2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine

F2B

F2B
Name:	N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
Formula:	C14 H12 F2 N2 O3 S
SMILES:	Fc1c(cccc1F)CNC(=O)c2ccc(cc2)S(=O)(=O)N
InChi:	InChI=1S/C14H12F2N2O3S/c15-12-3-1-2-10(13(12)16)8-18-14(19)9-4-6-11(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
Definition date:	2000-10-27
Last modified:	2011-06-04
Identifier:	N-(2,3-difluorobenzyl)-4-sulfamoylbenzamide

F2I

F2I
Name:	N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
Formula:	C32 H38 F2 I N3 O3
SMILES:	Ic1cc(ccc1)CNCC(O)C(NC(=O)c2cc(cc(C(=O)N(CCC)CCC)c2)C)Cc3cc(F)cc(F)c3
InChi:	InChI=1S/C32H38F2IN3O3/c1-4-9-38(10-5-2)32(41)25-12-21(3)11-24(17-25)31(40)37-29(16-23-13-26(33)18-27(34)14-23)30(39)20-36-19-22-7-6-8-28(35)15-22/h6-8,11-15,17-18,29-30,36,39H,4-5,9-10,16,19-20H2,1-3H3,(H,37,40)/t29-,30+/m0/s1
Definition date:	2006-10-17
Last modified:	2011-06-04
Identifier:	N'-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide

F32

F32
Name:	(5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN-3-ONE 1,1-DIOXIDE
Formula:	C25 H21 N5 O3 S2
SMILES:	O=C6NS(=O)(=O)C(c1ccc(cc1)CC(c2nc3ccccc3n2)Nc4nc5ccccc5s4)C6
InChi:	InChI=1S/C25H21N5O3S2/c31-23-14-22(35(32,33)30-23)16-11-9-15(10-12-16)13-20(24-26-17-5-1-2-6-18(17)27-24)29-25-28-19-7-3-4-8-21(19)34-25/h1-12,20,22H,13-14H2,(H,26,27)(H,28,29)(H,30,31)/t20-,22-/m0/s1
Definition date:	2006-05-21
Last modified:	2011-06-04
Identifier:	(5S)-5-{4-[(2S)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}isothiazolidin-3-one 1,1-dioxide

F34

F34
Name:	N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide
Formula:	C8 H16 N2 O4
SMILES:	O=C(NC1CNCC(O)C(O)C1O)C
InChi:	InChI=1S/C8H16N2O4/c1-4(11)10-5-2-9-3-6(12)8(14)7(5)13/h5-9,12-14H,2-3H2,1H3,(H,10,11)/t5-,6+,7+,8+/m0/s1
Definition date:	2008-12-17
Last modified:	2011-06-04
Identifier:	N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide

F3F

F3F
Name:	S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(PHENYLETHYNYL)FURAN-2-CARBOTHIOATE
Formula:	C16 H8 F3 N3 O2 S
SMILES:	FC(F)(F)c3nnc(SC(=O)c2oc(C#Cc1ccccc1)cc2)n3
InChi:	InChI=1S/C16H8F3N3O2S/c17-16(18,19)14-20-15(22-21-14)25-13(23)12-9-8-11(24-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,20,21,22)
Definition date:	2006-05-16
Last modified:	2011-06-04
Identifier:	S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate

F4C

F4C
Name:	2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide
Formula:	C24 H16 F4 N4 O2
SMILES:	FC(F)(F)c1ccccc1CNC(=O)C=2C(=O)N(N=C(C=2)c3ccncc3)c4ccc(F)cc4
InChi:	InChI=1S/C24H16F4N4O2/c25-17-5-7-18(8-6-17)32-23(34)19(13-21(31-32)15-9-11-29-12-10-15)22(33)30-14-16-3-1-2-4-20(16)24(26,27)28/h1-13H,14H2,(H,30,33)
Definition date:	2009-10-05
Last modified:	2011-06-04
Identifier:	2-(4-fluorophenyl)-3-oxo-6-(pyridin-4-yl)-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide

F4P

F4P
Name:	1-[bis(4-fluorophenyl)methyl]-4-(1H-1,2,4-triazol-1-ylcarbonyl)piperazine
Formula:	C20 H19 F2 N5 O
SMILES:	O=C(N3CCN(C(c1ccc(F)cc1)c2ccc(F)cc2)CC3)n4ncnc4
InChi:	InChI=1S/C20H19F2N5O/c21-17-5-1-15(2-6-17)19(16-3-7-18(22)8-4-16)25-9-11-26(12-10-25)20(28)27-14-23-13-24-27/h1-8,13-14,19H,9-12H2
Definition date:	2009-09-28
Last modified:	2011-06-04
Identifier:	{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}(1H-1,2,4-triazol-1-yl)methanone

F59

F59
Name:	N-[(biphenyl-4-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
Formula:	C20 H22 N2 O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c3ccc(c2ccccc2)cc3
InChi:	InChI=1S/C20H22N2O7/c23-10-14-15(24)16(25)17(26)19(29-14)22-20(28)21-18(27)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-17,19,23-26H,10H2,(H2,21,22,27,28)/t14-,15-,16+,17-,19-/m1/s1
Definition date:	2008-02-12
Last modified:	2011-06-04
Identifier:	N-[(biphenyl-4-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine

F68

F68
Name:	N-{[(4-methylphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
Formula:	C15 H20 N2 O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(cc2)C
InChi:	InChI=1S/C15H20N2O7/c1-7-2-4-8(5-3-7)13(22)16-15(23)17-14-12(21)11(20)10(19)9(6-18)24-14/h2-5,9-12,14,18-21H,6H2,1H3,(H2,16,17,22,23)/t9-,10-,11+,12-,14-/m1/s1
Definition date:	2008-02-12
Last modified:	2011-06-04
Identifier:	N-{[(4-methylphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine

F69

F69
Name:	(2-thiophen-2-ylphenyl)methanol
Formula:	C11 H10 O S
SMILES:	OCc1ccccc1c2sccc2
InChi:	InChI=1S/C11H10OS/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-7,12H,8H2
Definition date:	2010-09-30
Last modified:	2011-06-04
Identifier:	[2-(thiophen-2-yl)phenyl]methanol

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