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4NC

4NC
Name:	4-NITROCATECHOL
Formula:	C6 H5 N O4
SMILES:	[O-][N+](=O)c1cc(O)c(O)cc1
InChi:	InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-nitrobenzene-1,2-diol

4NZ

4NZ
Name:	4-nitrobenzenesulfonamide
Formula:	C6 H6 N2 O4 S
SMILES:	O=S(=O)(N)c1ccc([N+]([O-])=O)cc1
InChi:	InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)
Definition date:	2010-04-01
Last modified:	2011-06-04
Identifier:	4-nitrobenzenesulfonamide

EG3

EG3
Name:	PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE
Formula:	C22 H30 N4 O6 S
SMILES:	O=S(=O)(N)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)C(N)Cc2ccccc2
InChi:	InChI=1S/C22H30N4O6S/c23-20(16-17-4-2-1-3-5-17)22(28)26-11-13-32-15-14-31-12-10-25-21(27)18-6-8-19(9-7-18)33(24,29)30/h1-9,20H,10-16,23H2,(H,25,27)(H,26,28)(H2,24,29,30)/t20-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N-{2-[2-(2-{[(4-sulfamoylphenyl)carbonyl]amino}ethoxy)ethoxy]ethyl}-L-phenylalaninamide

4SP

4SP
Name:	O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE
Formula:	C18 H22 N6 O3 S
SMILES:	O=S(=O)(N)c1ccc(cc1)Nc3nc2c(ncn2)c(n3)OCC4CCCCC4
InChi:	InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)
Definition date:	2002-07-21
Last modified:	2011-06-04
Identifier:	4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benzenesulfonamide

EJT

EJT
Name:	1,3-DI(N-PROPYLOXY-A-MANNOPYRANOSYL)-CARBOMYL 5-METHYAZIDO-BENZENE
Formula:	C27 H41 N5 O14
SMILES:	O=C(NCCCOC1OC(CO)C(O)C(O)C1O)c2cc(cc(c2)C/N=[N+]=[N-])C(=O)NCCCOC3OC(C(O)C(O)C3O)CO
InChi:	InChI=1S/C27H41N5O14/c28-32-31-10-13-7-14(24(41)29-3-1-5-43-26-22(39)20(37)18(35)16(11-33)45-26)9-15(8-13)25(42)30-4-2-6-44-27-23(40)21(38)19(36)17(12-34)46-27/h7-9,16-23,26-27,33-40H,1-6,10-12H2,(H,29,41)(H,30,42)/t16-,17-,18-,19-,20+,21+,22+,23+,26+,27+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5-(azidomethyl)-N,N'-bis[3-(alpha-D-mannopyranosyloxy)propyl]benzene-1,3-dicarboxamide

ESH

ESH
Name:	4- [(1R,3AS,4R,8AS,8BR)- 2- (4-CHLOROBENZYL)- 1- ISOPROPYL- 3- OXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN- 4- YL]BENZENECARBOXIMIDAMIDE
Formula:	C26 H31 Cl N4 O
SMILES:	Clc1ccc(cc1)CN2C(=O)C5C(C2C(C)C)C3N(CCC3)C5c4ccc(C(=[N@H])N)cc4
InChi:	InChI=1S/C26H31ClN4O/c1-15(2)23-21-20-4-3-13-30(20)24(17-7-9-18(10-8-17)25(28)29)22(21)26(32)31(23)14-16-5-11-19(27)12-6-16/h5-12,15,20-24H,3-4,13-14H2,1-2H3,(H3,28,29)/t20-,21-,22-,23+,24-/m0/s1
Definition date:	2006-02-17
Last modified:	2011-06-04
Identifier:	4-[(1R,3aS,4R,8aS,8bR)-2-(4-chlorobenzyl)-1-(1-methylethyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide

ETP

ETP
Name:	3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID
Formula:	C16 H14 B N O6 S3
SMILES:	O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cccc(B(O)O)c2)c3ccccc3
InChi:	InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H
Definition date:	2000-12-07
Last modified:	2011-06-04
Identifier:	[3-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)phenyl]boronic acid

LZ4

LZ4
Name:	4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide
Formula:	C10 H9 Cl N4 O2 S
SMILES:	Clc2nc(Nc1ccc(cc1)S(=O)(=O)N)cnc2
InChi:	InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(15-9)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H,14,15)(H2,12,16,17)
Definition date:	2008-05-15
Last modified:	2011-06-04
Identifier:	4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide

5AF

5AF
Name:	2,5-BIS{[4-(3-PENTYL)DIAMINOMETHYL]PHENYL}FURAN
Formula:	C28 H40 N4 O
SMILES:	o1c(ccc1c2ccc(cc2)C(N)NC(CC)CC)c3ccc(cc3)C(N)NC(CC)CC
InChi:	InChI=1S/C28H40N4O/c1-5-23(6-2)31-27(29)21-13-9-19(10-14-21)25-17-18-26(33-25)20-11-15-22(16-12-20)28(30)32-24(7-3)8-4/h9-18,23-24,27-28,31-32H,5-8,29-30H2,1-4H3/t27-,28-/m0/s1
Definition date:	2006-05-09
Last modified:	2011-06-04
Identifier:	(S,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis[N-(1-ethylpropyl)methanediamine]

5B3

5B3
Name:	4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
Formula:	C17 H20 N4 O2 S
SMILES:	O=S(=O)(NC(C)(C)C)c3ccc(c1cc2c(cc1)nnc2N)cc3
InChi:	InChI=1S/C17H20N4O2S/c1-17(2,3)21-24(22,23)13-7-4-11(5-8-13)12-6-9-15-14(10-12)16(18)20-19-15/h4-10,21H,1-3H3,(H3,18,19,20)
Definition date:	2008-08-19
Last modified:	2011-06-04
Identifier:	4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide

5CL

5CL
Name:	1,2,3,4,5-PENTACHLOROBENZENE
Formula:	C6 H Cl5
SMILES:	Clc1cc(Cl)c(Cl)c(Cl)c1Cl
InChi:	InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
Definition date:	2006-04-26
Last modified:	2011-06-04
Identifier:	1,2,3,4,5-pentachlorobenzene

5FB

5FB
Name:	4-(4-{[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl}-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile
Formula:	C19 H13 F3 N2 O4 S
SMILES:	FC(F)(F)c3cc(C#N)ccc3Oc1c(OC)cc(cc1)CC2SC(=O)NC2=O
InChi:	InChI=1S/C19H13F3N2O4S/c1-27-15-7-10(8-16-17(25)24-18(26)29-16)2-5-14(15)28-13-4-3-11(9-23)6-12(13)19(20,21)22/h2-7,16H,8H2,1H3,(H,24,25,26)/t16-/m1/s1
Definition date:	2009-10-12
Last modified:	2011-06-04
Identifier:	4-(4-{[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl}-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile

M4S

M4S
Name:	4-methoxybenzenesulfonamide
Formula:	C7 H9 N O3 S
SMILES:	COc1ccc(cc1)[S](N)(=O)=O
InChi:	InChI=1S/C7H9NO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
Definition date:	2010-01-28
Last modified:	2011-06-04
Identifier:	4-methoxybenzenesulfonamide

5FW

5FW
Name:	ISOPRENALINE
Formula:	C11 H17 N O3
SMILES:	CC(C)NC[CH](O)c1ccc(O)c(O)c1
InChi:	InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1
Definition date:	2010-11-30
Last modified:	2011-06-04
Identifier:	4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol

5HA

5HA
Name:	N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
Formula:	C31 H38 N4 O5 S
SMILES:	O=S(=O)(N(c2cc(cc(C(=O)NC(c1ccccc1)C)c2)C(=O)NC(C(O)CNC3CC3)Cc4ccccc4)C)C
InChi:	InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1
Definition date:	2005-10-13
Last modified:	2011-06-04
Identifier:	N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide

5H
Name:	5R-(4-BROMOPHENYLMETHYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE
Formula:	C16 H13 Br N2 O3 S3
SMILES:	O=S(=O)(NN1C(=O)C(SC1=S)Cc2ccc(Br)cc2)c3ccccc3
InChi:	InChI=1S/C16H13BrN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(23)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-9,14,18H,10H2/t14-/m1/s1
Definition date:	2005-09-22
Last modified:	2011-06-04
Identifier:	N-[(5R)-5-(4-bromobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzenesulfonamide

DNC

DNC
Name:	3,5-DINITROCATECHOL
Formula:	C6 H4 N2 O6
SMILES:	[O-][N+](=O)c1cc([N+]([O-])=O)cc(O)c1O
InChi:	InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3,5-dinitrobenzene-1,2-diol

DPS

DPS
Name:	3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID
Formula:	C28 H29 N3 O4 S
SMILES:	O=C(O)C(NS(=O)(=O)c1ccc(cc1)N3CCC(c2ccccc2)CC3)Cc5c4ccccc4nc5
InChi:	InChI=1S/C28H29N3O4S/c32-28(33)27(18-22-19-29-26-9-5-4-8-25(22)26)30-36(34,35)24-12-10-23(11-13-24)31-16-14-21(15-17-31)20-6-2-1-3-7-20/h1-13,19,21,27,29-30H,14-18H2,(H,32,33)/t27-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N-{[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyl}-L-tryptophan

DT1

DT1
Name:	4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE
Formula:	C18 H22 N6 O3 S
SMILES:	O=S(=O)(N)c1ccc(cc1)Nc2cc(nc3ncnn23)OCC4CCCCC4
InChi:	InChI=1S/C18H22N6O3S/c19-28(25,26)15-8-6-14(7-9-15)22-16-10-17(23-18-20-12-21-24(16)18)27-11-13-4-2-1-3-5-13/h6-10,12-13,22H,1-5,11H2,(H2,19,25,26)
Definition date:	2005-11-10
Last modified:	2011-06-04
Identifier:	4-{[5-(cyclohexylmethoxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide

DT2

DT2
Name:	4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE
Formula:	C17 H21 N7 O2 S
SMILES:	O=S(=O)(N)c1ccc(cc1)Nc2cc(nc3ncnn23)NC4CCCCC4
InChi:	InChI=1S/C17H21N7O2S/c18-27(25,26)14-8-6-13(7-9-14)22-16-10-15(21-12-4-2-1-3-5-12)23-17-19-11-20-24(16)17/h6-12,22H,1-5H2,(H2,18,25,26)(H,19,20,21,23)
Definition date:	2005-11-10
Last modified:	2011-06-04
Identifier:	4-{[5-(cyclohexylamino)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide

DT4

DT4
Name:	4-({5-[(4-AMINOCYCLOHEXYL)AMINO][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}AMINO)BENZENESULFONAMIDE
Formula:	C17 H22 N8 O2 S
SMILES:	O=S(=O)(N)c1ccc(cc1)Nc2cc(nc3ncnn23)NC4CCC(N)CC4
InChi:	InChI=1S/C17H22N8O2S/c18-11-1-3-12(4-2-11)22-15-9-16(25-17(24-15)20-10-21-25)23-13-5-7-14(8-6-13)28(19,26)27/h5-12,23H,1-4,18H2,(H2,19,26,27)(H,20,21,22,24)/t11-,12-
Definition date:	2005-11-10
Last modified:	2011-06-04
Identifier:	4-({5-[(trans-4-aminocyclohexyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzenesulfonamide

DT5

DT5
Name:	4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE
Formula:	C17 H20 N6 O3 S
SMILES:	O=S(=O)(N)c1ccc(cc1)Nc2cc(nc3ncnn23)OC4CCCCC4
InChi:	InChI=1S/C17H20N6O3S/c18-27(24,25)14-8-6-12(7-9-14)21-15-10-16(22-17-19-11-20-23(15)17)26-13-4-2-1-3-5-13/h6-11,13,21H,1-5H2,(H2,18,24,25)
Definition date:	2005-11-10
Last modified:	2011-06-04
Identifier:	4-{[5-(cyclohexyloxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide

E02

E02
Name:	5-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide
Formula:	C15 H12 Cl N3 O3 S
SMILES:	O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)Cn2c3ccccc3nc2
InChi:	InChI=1S/C15H12ClN3O3S/c16-11-6-5-10(7-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)
Definition date:	2010-03-22
Last modified:	2011-06-04
Identifier:	5-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide

MOB

MOB
Name:	2-((3',5'-DIMETHOXY-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
Formula:	C15 H14 N2 O5
SMILES:	O=C(O)c2ccccc2/N=N/c1cc(OC)c(O)c(OC)c1
InChi:	InChI=1S/C15H14N2O5/c1-21-12-7-9(8-13(22-2)14(12)18)16-17-11-6-4-3-5-10(11)15(19)20/h3-8,18H,1-2H3,(H,19,20)/b17-16+
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)diazenyl]benzoic acid

MPX

MPX
Name:	4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE
Formula:	C12 H19 N5 O2 S2
SMILES:	S=C(NN1CCN(CC1)C)Nc2ccc(cc2)S(=O)(=O)N
InChi:	InChI=1S/C12H19N5O2S2/c1-16-6-8-17(9-7-16)15-12(20)14-10-2-4-11(5-3-10)21(13,18)19/h2-5H,6-9H2,1H3,(H2,13,18,19)(H2,14,15,20)
Definition date:	2005-09-13
Last modified:	2011-06-04
Identifier:	4-{[(4-methylpiperazin-1-yl)carbamothioyl]amino}benzenesulfonamide

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