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040

040
Name:	4-(2-methylphenyl)-2,4-dioxobutanoic acid
Formula:	C11 H10 O4
SMILES:	O=C(c1ccccc1C)CC(=O)C(=O)O
InChi:	InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
Definition date:	2011-06-06
Last modified:	2012-11-02
Release date:	2012-11-02
Identifier:	4-(2-methylphenyl)-2,4-dioxobutanoic acid

043

043
Name:	4-(3-bromophenyl)-2,4-dioxobutanoic acid
Formula:	C10 H7 Br O4
SMILES:	O=C(c1cc(Br)ccc1)CC(=O)C(=O)O
InChi:	InChI=1S/C10H7BrO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
Definition date:	2011-06-06
Last modified:	2012-11-02
Release date:	2012-11-02
Identifier:	4-(3-bromophenyl)-2,4-dioxobutanoic acid

048

048
Name:	N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide
Formula:	C24 H21 F N2 O2
SMILES:	Fc2ccc(cc2NC(=O)c1ccccc1)Nc4cc3c(C(=O)CCCC3)cc4
InChi:	InChI=1S/C24H21FN2O2/c25-21-13-11-19(15-22(21)27-24(29)16-6-2-1-3-7-16)26-18-10-12-20-17(14-18)8-4-5-9-23(20)28/h1-3,6-7,10-15,26H,4-5,8-9H2,(H,27,29)
Definition date:	2011-12-14
Last modified:	2012-11-02
Release date:	2012-11-02
Identifier:	N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide

FRO

FRO
Name:	(5R,6S)-6-[(1R)-1-HYDROXYETHYL]-7-OXO-3-[(2R)-TETRAHYDROFURAN-2-YL]-4-THIA-1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLATE
Formula:	C12 H14 N O5 S
SMILES:	O=C2N1C(=C(SC1C2C(O)C)C3OCCC3)C([O-])=O
InChi:	InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/p-1/t5-,6+,7-,11+/m0/s1
Synonyms:	FAROM
Definition date:	2005-11-15
Last modified:	2012-11-01
Identifier:	(5R,6S)-6-[(1S)-1-hydroxyethyl]-7-oxo-3-[(2R)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

XZ2

XZ2
Name:	2-(3-chloro-4-fluorobenzyl)-6,7-dihydroxy-N,N-dimethyl-1-oxo-2,3-dihydro-1H-isoindole-4-sulfonamide
Formula:	C17 H16 Cl F N2 O5 S
SMILES:	O=S(=O)(c2cc(O)c(O)c1C(=O)N(Cc12)Cc3ccc(F)c(Cl)c3)N(C)C
InChi:	InChI=1S/C17H16ClFN2O5S/c1-20(2)27(25,26)14-6-13(22)16(23)15-10(14)8-21(17(15)24)7-9-3-4-12(19)11(18)5-9/h3-6,22-23H,7-8H2,1-2H3
Definition date:	2012-10-08
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	2-(3-chloro-4-fluorobenzyl)-6,7-dihydroxy-N,N-dimethyl-1-oxo-2,3-dihydro-1H-isoindole-4-sulfonamide

Z31

Z31
Name:	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone
Formula:	C17 H15 N3 O S
SMILES:	O=C(c1sc(nc1N)NC/C=C)c3cc2ccccc2cc3
InChi:	InChI=1S/C17H15N3OS/c1-2-9-19-17-20-16(18)15(22-17)14(21)13-8-7-11-5-3-4-6-12(11)10-13/h2-8,10H,1,9,18H2,(H,19,20)
Definition date:	2011-03-25
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone

Z60

Z60
Name:	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone
Formula:	C11 H10 Cl N3 O S2
SMILES:	Clc1sc(cc1)C(=O)c2sc(nc2N)NCC=C
InChi:	InChI=1S/C11H10ClN3OS2/c1-2-5-14-11-15-10(13)9(18-11)8(16)6-3-4-7(12)17-6/h2-4H,1,5,13H2,(H,14,15)
Definition date:	2011-05-13
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone

Z62

Z62
Name:	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
Formula:	C13 H12 N4 O3 S
SMILES:	[O-][N+](=O)c1cccc(c1)C(=O)c2sc(nc2N)NCC=C
InChi:	InChI=1S/C13H12N4O3S/c1-2-6-15-13-16-12(14)11(21-13)10(18)8-4-3-5-9(7-8)17(19)20/h2-5,7H,1,6,14H2,(H,15,16)
Definition date:	2011-03-25
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone

Z63

Z63
Name:	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone
Formula:	C12 H12 N4 O S
SMILES:	O=C(c1sc(nc1N)NCC=C)c2ccncc2
InChi:	InChI=1S/C12H12N4OS/c1-2-5-15-12-16-11(13)10(18-12)9(17)8-3-6-14-7-4-8/h2-4,6-7H,1,5,13H2,(H,15,16)
Definition date:	2011-03-25
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone

Z67

Z67
Name:	4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
Formula:	C16 H13 F2 N5 O3 S2
SMILES:	Fc1cccc(F)c1NC(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N
InChi:	InChI=1S/C16H13F2N5O3S2/c17-10-2-1-3-11(18)12(10)22-15(24)13-14(19)23-16(27-13)21-8-4-6-9(7-5-8)28(20,25)26/h1-7H,19H2,(H,21,23)(H,22,24)(H2,20,25,26)
Definition date:	2011-03-29
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide

Z68

Z68
Name:	[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
Formula:	C16 H18 N4 O3 S
SMILES:	[O-][N+](=O)c1cccc(c1)C(=O)c2sc(nc2N)NC3CCCCC3
InChi:	InChI=1S/C16H18N4O3S/c17-15-14(13(21)10-5-4-8-12(9-10)20(22)23)24-16(19-15)18-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,17H2,(H,18,19)
Definition date:	2011-03-29
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone

Z71

Z71
Name:	4-amino-N-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
Formula:	C16 H13 F2 N5 O3 S2
SMILES:	Fc1cc(cc(F)c1)NC(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N
InChi:	InChI=1S/C16H13F2N5O3S2/c17-8-5-9(18)7-11(6-8)21-15(24)13-14(19)23-16(27-13)22-10-1-3-12(4-2-10)28(20,25)26/h1-7H,19H2,(H,21,24)(H,22,23)(H2,20,25,26)
Definition date:	2011-03-29
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	4-amino-N-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide

25Z

25Z
Name:	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone
Formula:	C17 H12 F3 N3 O S
SMILES:	FC(F)(F)c1cccc(c1)C(=O)c2sc(nc2N)Nc3ccccc3
InChi:	InChI=1S/C17H12F3N3OS/c18-17(19,20)11-6-4-5-10(9-11)13(24)14-15(21)23-16(25-14)22-12-7-2-1-3-8-12/h1-9H,21H2,(H,22,23)
Definition date:	2011-04-28
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone

26Z

26Z
Name:	4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Formula:	C16 H15 N5 O3 S2
SMILES:	O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2cccc(N)c2)N)cc3
InChi:	InChI=1S/C16H15N5O3S2/c17-10-3-1-2-9(8-10)13(22)14-15(18)21-16(25-14)20-11-4-6-12(7-5-11)26(19,23)24/h1-8H,17-18H2,(H,20,21)(H2,19,23,24)
Definition date:	2011-04-28
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

27Z

27Z
Name:	4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
Formula:	C10 H11 N5 O3 S2
SMILES:	O=S(=O)(N)c2ccc(Nc1nc(c(s1)C(=O)N)N)cc2
InChi:	InChI=1S/C10H11N5O3S2/c11-8-7(9(12)16)19-10(15-8)14-5-1-3-6(4-2-5)20(13,17)18/h1-4H,11H2,(H2,12,16)(H,14,15)(H2,13,17,18)
Definition date:	2011-04-28
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide

X02

X02
Name:	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone
Formula:	C13 H13 N3 O S
SMILES:	O=C(c1sc(nc1N)NC/C=C)c2ccccc2
InChi:	InChI=1S/C13H13N3OS/c1-2-8-15-13-16-12(14)11(18-13)10(17)9-6-4-3-5-7-9/h2-7H,1,8,14H2,(H,15,16)
Definition date:	2011-02-17
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone

X35

X35
Name:	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
Formula:	C12 H12 N4 O S
SMILES:	O=C(c1sc(nc1N)NCC=C)c2cccnc2
InChi:	InChI=1S/C12H12N4OS/c1-2-5-15-12-16-11(13)10(18-12)9(17)8-4-3-6-14-7-8/h2-4,6-7H,1,5,13H2,(H,15,16)
Definition date:	2011-02-25
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone

X36

X36
Name:	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone
Formula:	C16 H13 N3 O S
SMILES:	O=C(c1sc(nc1N)Nc2ccccc2)c3ccccc3
InChi:	InChI=1S/C16H13N3OS/c17-15-14(13(20)11-7-3-1-4-8-11)21-16(19-15)18-12-9-5-2-6-10-12/h1-10H,17H2,(H,18,19)
Definition date:	2011-02-25
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone

X3A

X3A
Name:	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
Formula:	C15 H12 N4 O S
SMILES:	O=C(c1sc(nc1N)Nc2ccccc2)c3cccnc3
InChi:	InChI=1S/C15H12N4OS/c16-14-13(12(20)10-5-4-8-17-9-10)21-15(19-14)18-11-6-2-1-3-7-11/h1-9H,16H2,(H,18,19)
Definition date:	2011-02-25
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone

X40

X40
Name:	4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Formula:	C15 H13 N5 O3 S2
SMILES:	O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2cccnc2)N)cc3
InChi:	InChI=1S/C15H13N5O3S2/c16-14-13(12(21)9-2-1-7-18-8-9)24-15(20-14)19-10-3-5-11(6-4-10)25(17,22)23/h1-8H,16H2,(H,19,20)(H2,17,22,23)
Definition date:	2011-02-25
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

X42

X42
Name:	4-{[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Formula:	C16 H13 F N4 O3 S2
SMILES:	Fc1cccc(c1)C(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N
InChi:	InChI=1S/C16H13FN4O3S2/c17-10-3-1-2-9(8-10)13(22)14-15(18)21-16(25-14)20-11-4-6-12(7-5-11)26(19,23)24/h1-8H,18H2,(H,20,21)(H2,19,23,24)
Definition date:	2011-02-25
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	4-{[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

X43

X43
Name:	4-{[4-amino-5-(3-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Formula:	C16 H13 N5 O5 S2
SMILES:	[O-][N+](=O)c1cccc(c1)C(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N
InChi:	InChI=1S/C16H13N5O5S2/c17-15-14(13(22)9-2-1-3-11(8-9)21(23)24)27-16(20-15)19-10-4-6-12(7-5-10)28(18,25)26/h1-8H,17H2,(H,19,20)(H2,18,25,26)
Definition date:	2011-02-25
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	4-{[4-amino-5-(3-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

X44

X44
Name:	4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Formula:	C16 H15 N5 O5 S3
SMILES:	O=S(=O)(N)c1ccc(cc1)C(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N
InChi:	InChI=1S/C16H15N5O5S3/c17-15-14(13(22)9-1-5-11(6-2-9)28(18,23)24)27-16(21-15)20-10-3-7-12(8-4-10)29(19,25)26/h1-8H,17H2,(H,20,21)(H2,18,23,24)(H2,19,25,26)
Definition date:	2011-02-25
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

X46

X46
Name:	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone
Formula:	C17 H15 N3 O2 S
SMILES:	O=C(c1sc(nc1N)Nc2ccccc2)c3cccc(OC)c3
InChi:	InChI=1S/C17H15N3O2S/c1-22-13-9-5-6-11(10-13)14(21)15-16(18)20-17(23-15)19-12-7-3-2-4-8-12/h2-10H,18H2,1H3,(H,19,20)
Definition date:	2011-02-25
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone

X64

X64
Name:	4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Formula:	C16 H13 N5 O5 S2
SMILES:	[O-][N+](=O)c1ccccc1C(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N
InChi:	InChI=1S/C16H13N5O5S2/c17-15-14(13(22)11-3-1-2-4-12(11)21(23)24)27-16(20-15)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,20)(H2,18,25,26)
Definition date:	2011-03-03
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

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