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7L5

7L5
Name:	2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
Formula:	C21 H28 Cl2 F2 N4 O2 S
SMILES:	Clc1cc(cc(Cl)c1S(=O)(=O)N(c2c(n(nc2C)C)C)C(F)F)CCCC3CCNCC3
InChi:	InChI=1S/C21H28Cl2F2N4O2S/c1-13-19(14(2)28(3)27-13)29(21(24)25)32(30,31)20-17(22)11-16(12-18(20)23)6-4-5-15-7-9-26-10-8-15/h11-12,15,21,26H,4-10H2,1-3H3
Definition date:	2014-08-12
Last modified:	2014-11-28
Release date:	2014-12-03
Identifier:	2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide

WW3

WW3
Name:	4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide
Formula:	C12 H18 N4 O2 S
SMILES:	O=S(=O)(N)c2ccc(/N=N/N1CCCCCC1)cc2
InChi:	InChI=1S/C12H18N4O2S/c13-19(17,18)12-7-5-11(6-8-12)14-15-16-9-3-1-2-4-10-16/h5-8H,1-4,9-10H2,(H2,13,17,18)/b15-14+
Definition date:	2014-04-25
Last modified:	2014-11-21
Release date:	2014-11-26
Identifier:	4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide

KR5

KR5
Name:	4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide
Formula:	C14 H18 N4 O3 S
SMILES:	O=C(n1nc(cc1C)C)CCNc2ccc(cc2)S(=O)(=O)N
InChi:	InChI=1S/C14H18N4O3S/c1-10-9-11(2)18(17-10)14(19)7-8-16-12-3-5-13(6-4-12)22(15,20)21/h3-6,9,16H,7-8H2,1-2H3,(H2,15,20,21)
Definition date:	2014-04-25
Last modified:	2014-11-21
Release date:	2014-11-26
Identifier:	4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide

1WB

1WB
Name:	5-methoxybenzene-1,3-dicarboxylic acid
Formula:	C9 H8 O5
SMILES:	O=C(O)c1cc(OC)cc(C(=O)O)c1
InChi:	InChI=1S/C9H8O5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
Definition date:	2013-06-28
Last modified:	2014-11-21
Release date:	2014-11-26
Identifier:	5-methoxybenzene-1,3-dicarboxylic acid

REV

REV
Name:	2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol
Formula:	C17 H20 O4
SMILES:	O(c1c(O)c(cc(O)c1OC)C(c2ccccc2)CC)C
InChi:	InChI=1S/C17H20O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h5-10,12,18-19H,4H2,1-3H3/t12-/m0/s1
Definition date:	2014-04-25
Last modified:	2014-10-10
Release date:	2014-10-15
Identifier:	2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol

3E4

3E4
Name:	N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide
Formula:	C32 H31 Cl N6 O3 S
SMILES:	Clc1ccccc1S(=O)(=O)Nc6c2c(cccc2)c(Oc5ncccc5c3nc(ncc3)NC4CCC(N)CC4)c(c6)C
InChi:	InChI=1S/C32H31ClN6O3S/c1-20-19-28(39-43(40,41)29-11-5-4-10-26(29)33)23-7-2-3-8-24(23)30(20)42-31-25(9-6-17-35-31)27-16-18-36-32(38-27)37-22-14-12-21(34)13-15-22/h2-11,16-19,21-22,39H,12-15,34H2,1H3,(H,36,37,38)/t21-,22-
Definition date:	2014-07-31
Last modified:	2014-10-03
Release date:	2014-10-08
Identifier:	N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide

3EL

3EL
Name:	N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide
Formula:	C31 H30 N6 O3 S
SMILES:	O=S(=O)(c1ccccc1)Nc6c2c(cccc2)c(Oc5ncccc5c3nc(ncc3)NC4CCC(N)CC4)cc6
InChi:	InChI=1S/C31H30N6O3S/c32-21-12-14-22(15-13-21)35-31-34-20-18-27(36-31)26-11-6-19-33-30(26)40-29-17-16-28(24-9-4-5-10-25(24)29)37-41(38,39)23-7-2-1-3-8-23/h1-11,16-22,37H,12-15,32H2,(H,34,35,36)/t21-,22-
Definition date:	2014-07-31
Last modified:	2014-10-03
Release date:	2014-10-08
Identifier:	N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide

IL3

IL3
Name:	1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene
Formula:	C11 H14 N2 O3 S
SMILES:	CC#CCOc1ccc(CN[S](N)(=O)=O)cc1
InChi:	InChI=1S/C11H14N2O3S/c1-2-3-8-16-11-6-4-10(5-7-11)9-13-17(12,14)15/h4-7,13H,8-9H2,1H3,(H2,12,14,15)
Definition date:	2014-03-03
Last modified:	2014-10-03
Release date:	2014-10-08
Identifier:	1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene

P3U

P3U
Name:	2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,5-DIMETHYL,3-ISOBUTYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE
Formula:	C24 H30 Cl2 N6 O2 S
SMILES:	Clc3cc(c2ccnc(N1CCNCC1)c2)cc(Cl)c3S(=O)(=O)Nc4c(n(nc4CC(C)C)C)C
InChi:	InChI=1S/C24H30Cl2N6O2S/c1-15(2)11-21-23(16(3)31(4)29-21)30-35(33,34)24-19(25)12-18(13-20(24)26)17-5-6-28-22(14-17)32-9-7-27-8-10-32/h5-6,12-15,27,30H,7-11H2,1-4H3
Definition date:	2013-10-09
Last modified:	2014-09-12
Release date:	2014-09-17
Identifier:	2,6-dichloro-N-[1,5-dimethyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]-4-[2-(piperazin-1-yl)pyridin-4-yl]benzenesulfonamide

Z5K

Z5K
Name:	N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
Formula:	C13 H19 F3 N2 O2 S
SMILES:	O=S(=O)(NCCN(CC)CC)c1cc(ccc1)C(F)(F)F
InChi:	InChI=1S/C13H19F3N2O2S/c1-3-18(4-2)9-8-17-21(19,20)12-7-5-6-11(10-12)13(14,15)16/h5-7,10,17H,3-4,8-9H2,1-2H3
Definition date:	2012-08-24
Last modified:	2014-09-05
Release date:	2013-09-04
Identifier:	N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide

Y46

Y46
Name:	N-(6-AMINO-1-BENZYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)BENZENESULFONAMIDE
Formula:	C17 H16 N4 O4 S
SMILES:	O=S(=O)(c1ccccc1)NC2=C(N)N(C(=O)NC2=O)Cc3ccccc3
InChi:	InChI=1S/C17H16N4O4S/c18-15-14(20-26(24,25)13-9-5-2-6-10-13)16(22)19-17(23)21(15)11-12-7-3-1-4-8-12/h1-10,20H,11,18H2,(H,19,22,23)
Definition date:	2012-05-02
Last modified:	2014-09-05
Release date:	2012-10-26
Identifier:	N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzenesulfonamide

VIF

VIF
Name:	Flopristin
Formula:	C28 H38 F N3 O6
SMILES:	O=C2N1CCCC1C(=O)OC(C(C=CC(=O)NCC=CC(=CC(O)CC(F)Cc3nc2co3)C)C)C(C)C
InChi:	InChI=1S/C28H38FN3O6/c1-17(2)26-19(4)9-10-24(34)30-11-5-7-18(3)13-21(33)14-20(29)15-25-31-22(16-37-25)27(35)32-12-6-8-23(32)28(36)38-26/h5,7,9-10,13,16-17,19-21,23,26,33H,6,8,11-12,14-15H2,1-4H3,(H,30,34)/b7-5+,10-9+,18-13+/t19-,20-,21-,23-,26-/m1/s1
Definition date:	2014-06-19
Last modified:	2014-09-05
Release date:	2014-07-30
Identifier:	(3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione

VYR

VYR
Name:	N-[(S)-1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(4-methoxy-piperidin-1-yl)-2-oxo-ethyl]-2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonamide
Formula:	C28 H33 Cl N4 O7 S2
SMILES:	Clc5sc(c1onc(c1)CC(C(=O)N2CCC(OC)CC2)NS(=O)(=O)c4cccc(N3C(=O)COCC3)c4CC)cc5
InChi:	InChI=1S/C28H33ClN4O7S2/c1-3-20-22(33-13-14-39-17-27(33)34)5-4-6-25(20)42(36,37)31-21(28(35)32-11-9-19(38-2)10-12-32)15-18-16-23(40-30-18)24-7-8-26(29)41-24/h4-8,16,19,21,31H,3,9-15,17H2,1-2H3/t21-/m0/s1
Definition date:	2013-06-19
Last modified:	2014-09-05
Release date:	2013-12-18
Identifier:	N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-2-ethyl-3-(3-oxomorpholin-4-yl)benzenesulfonamide

HNR

HNR
Name:	N-(6-AMINO-1-BUTYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-N-METHYL-BENZENESULFONAMIDE
Formula:	C15 H20 N4 O4 S
SMILES:	O=S(=O)(c1ccccc1)N(C2=C(N)N(C(=O)NC2=O)CCCC)C
InChi:	InChI=1S/C15H20N4O4S/c1-3-4-10-19-13(16)12(14(20)17-15(19)21)18(2)24(22,23)11-8-6-5-7-9-11/h5-9H,3-4,10,16H2,1-2H3,(H,17,20,21)
Definition date:	2012-04-26
Last modified:	2014-09-05
Release date:	2012-10-26
Identifier:	N-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide

BBE

BBE
Name:	N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide
Formula:	C19 H20 N4 O4 S
SMILES:	O=S(=O)(c1cc(ccc1)C)N(C2=C(N)N(C(=O)NC2=O)Cc3ccccc3)C
InChi:	InChI=1S/C19H20N4O4S/c1-13-7-6-10-15(11-13)28(26,27)22(2)16-17(20)23(19(25)21-18(16)24)12-14-8-4-3-5-9-14/h3-11H,12,20H2,1-2H3,(H,21,24,25)
Definition date:	2012-08-03
Last modified:	2014-09-05
Release date:	2012-10-26
Identifier:	N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide

T3E

T3E
Name:	3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
Formula:	C16 H15 N7 O2 S2
SMILES:	O=S(=O)(N)c1cccc(c1)Nc2ncc(C#N)c(n2)c3sc(nc3C)NC
InChi:	InChI=1S/C16H15N7O2S2/c1-9-14(26-16(19-2)21-9)13-10(7-17)8-20-15(23-13)22-11-4-3-5-12(6-11)27(18,24)25/h3-6,8H,1-2H3,(H,19,21)(H2,18,24,25)(H,20,22,23)
Definition date:	2012-10-02
Last modified:	2014-09-05
Release date:	2013-01-04
Identifier:	3-({5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl}amino)benzenesulfonamide

TC0

TC0
Name:	4'-[5-[[3-[(CYCLOPROPYLAMINO)METHYL]PHENYL]AMINO]-1H-PYRAZOL-3-YL]-[1,1'-BIPHENYL]-2,4-DIOL
Formula:	C25 H24 N4 O2
SMILES:	Oc1ccc(c(O)c1)c5ccc(c2cc(nn2)Nc3ccc(cc3)CNC4CC4)cc5
InChi:	InChI=1S/C25H24N4O2/c30-21-11-12-22(24(31)13-21)17-3-5-18(6-4-17)23-14-25(29-28-23)27-20-7-1-16(2-8-20)15-26-19-9-10-19/h1-8,11-14,19,26,30-31H,9-10,15H2,(H2,27,28,29)
Definition date:	2012-09-26
Last modified:	2014-09-05
Release date:	2012-10-12
Identifier:	4'-[3-({4-[(cyclopropylamino)methyl]phenyl}amino)-1H-pyrazol-5-yl]biphenyl-2,4-diol

9TH

9TH
Name:	pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride
Formula:	C28 H31 Cl Ir N3 O4 S2
SMILES:	O=S(=O)(N)c1ccc(cc1)c2cc3n(cc2)[Ir+3]9876([Cl-])([N-](C3)S(=O)(=O)c4ccccc4)c5(c9(c8(c7(C)[C-]56C)C)C)C
InChi:	InChI=1S/C18H16N3O4S2.C10H15.ClH.Ir/c19-26(22,23)17-8-6-14(7-9-17)15-10-11-20-16(12-15)13-21-27(24,25)18-4-2-1-3-5-18
Definition date:	2013-02-27
Last modified:	2014-09-05
Release date:	2013-10-30
Identifier:	chloro[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienylato][4-(2-{[(phenylsulfonyl)amino-kappaN]methyl}pyridin-4-yl-kappaN)benzenesulfonamidato]iridium

42M

42M
Name:	{4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzene-1,3-diyl}bis[hydroxy(oxo)ammonium]
Formula:	C14 H14 N2 O7
SMILES:	O=[N+](O)c2ccc(Oc1ccc(cc1OC)CO)c([N+](=O)O)c2
InChi:	InChI=1S/C14H14N2O7/c1-22-14-6-9(8-17)2-4-13(14)23-12-5-3-10(15(18)19)7-11(12)16(20)21/h2-7,17H,8H2,1H3,(H,18,19)(H,20,21)/q+2
Definition date:	2011-12-11
Last modified:	2014-09-05
Release date:	2012-09-21
Identifier:	{4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzene-1,3-diyl}bis[hydroxy(oxo)ammonium]

43F

43F
Name:	2,4-DICHLORO-1-[4-(CHLOROMETHYL)-2-METHOXYPHENOXY]BENZENE
Formula:	C14 H11 Cl3 O2
SMILES:	Clc2cc(Cl)ccc2Oc1ccc(cc1OC)CCl
InChi:	InChI=1S/C14H11Cl3O2/c1-18-14-6-9(8-15)2-4-13(14)19-12-5-3-10(16)7-11(12)17/h2-7H,8H2,1H3
Definition date:	2011-12-12
Last modified:	2014-09-05
Release date:	2012-09-21
Identifier:	2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene (non-preferred name)

A9N

A9N
Name:	N-CYCLOPROP-2-EN-1-YL-5-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-2-METHYL-BENZENESULFONAMIDE
Formula:	C15 H16 N2 O3 S
SMILES:	O=S(=O)(c2cc(c1c(onc1C)C)ccc2C)NC3C=C3
InChi:	InChI=1S/C15H16N2O3S/c1-9-4-5-12(15-10(2)16-20-11(15)3)8-14(9)21(18,19)17-13-6-7-13/h4-8,13,17H,1-3H3
Definition date:	2011-11-26
Last modified:	2014-09-05
Identifier:	N-(cycloprop-2-en-1-yl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide

99A

99A
Name:	N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide
Formula:	C30 H33 N5 O3
SMILES:	O=C(N)c1c(cc(c(c1)C)C(=O)NC5CC4N(c3ncc(C(=O)NCc2ccccc2)cc3)C(CC4)C5)C
InChi:	InChI=1S/C30H33N5O3/c1-18-13-26(19(2)12-25(18)28(31)36)30(38)34-22-14-23-9-10-24(15-22)35(23)27-11-8-21(17-32-27)29(37)33-16-20-6-4-3-5-7-20/h3-8,11-13,17,22-24H,9-10,14-16H2,1-2H3,(H2,31,36)(H,33,37)(H,34,38)/t22-,23+,24-
Definition date:	2012-06-05
Last modified:	2014-09-05
Release date:	2012-08-24
Identifier:	N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide

JWT

JWT
Name:	N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-fluoro-N-methylbenzenesulfonamide
Formula:	C18 H17 F N4 O4 S
SMILES:	Fc1ccc(cc1)S(=O)(=O)N(C2=C(N)N(C(=O)NC2=O)Cc3ccccc3)C
InChi:	InChI=1S/C18H17FN4O4S/c1-22(28(26,27)14-9-7-13(19)8-10-14)15-16(20)23(18(25)21-17(15)24)11-12-5-3-2-4-6-12/h2-10H,11,20H2,1H3,(H,21,24,25)
Definition date:	2012-07-31
Last modified:	2014-09-05
Release date:	2012-10-26
Identifier:	N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-fluoro-N-methylbenzenesulfonamide

2XE

2XE
Name:	4-bromobenzenethiol
Formula:	C6 H5 Br S
SMILES:	Brc1ccc(S)cc1
InChi:	InChI=1S/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H
Definition date:	2014-04-04
Last modified:	2014-09-05
Release date:	2014-09-10
Identifier:	4-bromobenzenethiol

2XG

2XG
Name:	3,4-difluorobenzenethiol
Formula:	C6 H4 F2 S
SMILES:	Fc1ccc(S)cc1F
InChi:	InChI=1S/C6H4F2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
Definition date:	2014-04-04
Last modified:	2014-09-05
Release date:	2014-09-10
Identifier:	3,4-difluorobenzenethiol

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