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0WB

0WB
Name:	3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile
Formula:	C16 H10 F N3 O S
SMILES:	N#Cc3cccc(c1nc(sc1)Nc2c(O)ccc(F)c2)c3
InChi:	InChI=1S/C16H10FN3OS/c17-12-4-5-15(21)13(7-12)19-16-20-14(9-22-16)11-3-1-2-10(6-11)8-18/h1-7,9,21H,(H,19,20)
Definition date:	2012-07-22
Last modified:	2012-08-03
Identifier:	3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile

19K

19K
Name:	N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethyl-2-nitrobenzene-1,4-diamine
Formula:	C17 H18 N6 O2 S
SMILES:	[O-][N+](=O)c1c(N(C)C)ccc(c1)Nc3nc(c2sc(nc2C)C)ccn3
InChi:	InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
Definition date:	2011-08-16
Last modified:	2012-07-27
Identifier:	N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethyl-2-nitrobenzene-1,4-diamine

18K

18K
Name:	N'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N,N-dimethylbenzene-1,4-diamine
Formula:	C16 H18 N6 S
SMILES:	n2c(c1sc(nc1C)N)ccnc2Nc3ccc(N(C)C)cc3
InChi:	InChI=1S/C16H18N6S/c1-10-14(23-15(17)19-10)13-8-9-18-16(21-13)20-11-4-6-12(7-5-11)22(2)3/h4-9H,1-3H3,(H2,17,19)(H,18,20,21)
Definition date:	2011-07-15
Last modified:	2012-07-27
Identifier:	N'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N,N-dimethylbenzene-1,4-diamine

0F3

0F3
Name:	4-(sulfamoylamino)benzenesulfonamide
Formula:	C6 H9 N3 O4 S2
SMILES:	O=S(=O)(N)c1ccc(NS(=O)(=O)N)cc1
InChi:	InChI=1S/C6H9N3O4S2/c7-14(10,11)6-3-1-5(2-4-6)9-15(8,12)13/h1-4,9H,(H2,7,10,11)(H2,8,12,13)
Definition date:	2012-01-03
Last modified:	2012-07-20
Identifier:	4-(sulfamoylamino)benzenesulfonamide

Y0X

Y0X
Name:	6,6'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)di(E)diazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid)
Formula:	C34 H28 N6 O16 S4
SMILES:	O=S(=O)(O)c6c5ccc(/N=N/c1ccc(cc1OC)c4ccc(/N=N/c3ccc2c(cc(c(c2c3O)N)S(=O)(=O)O)S(=O)(=O)O)c(OC)c4)c(O)c5c(N)c(c6)S(=O)(=O)O
InChi:	InChI=1S/C34H28N6O16S4/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b39-37+,40-38+
Definition date:	2011-10-06
Last modified:	2012-07-13
Identifier:	6,6'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)di(E)diazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid)

HQE

HQE
Name:	benzene-1,4-diol
Formula:	C6 H6 O2
SMILES:	Oc1ccc(O)cc1
InChi:	InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
Definition date:	2012-03-14
Last modified:	2012-06-22
Identifier:	benzene-1,4-diol

A09

A09
Name:	N-hydroxybenzenesulfonamide
Formula:	C6 H7 N O3 S
SMILES:	O=S(=O)(NO)c1ccccc1
InChi:	InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
Definition date:	2011-08-02
Last modified:	2012-06-15
Identifier:	N-hydroxybenzenesulfonamide

0NW

0NW
Name:	3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide
Formula:	C29 H33 Cl2 N5 O3 S
SMILES:	O=C(N1CCC(CCN)CC1)C(NS(=O)(=O)c3cc(c2ccc(Cl)cc2Cl)ccc3)Cc4cccc(C(=[N@H])N)c4
InChi:	InChI=1S/C29H33Cl2N5O3S/c30-23-7-8-25(26(31)18-23)21-4-2-6-24(17-21)40(38,39)35-27(16-20-3-1-5-22(15-20)28(33)34)29(37)36-13-10-19(9-12-32)11-14-36/h1-8,15,17-19,27,35H,9-14,16,32H2,(H3,33,34)/t27-/m0/s1
Definition date:	2012-03-27
Last modified:	2012-06-15
Identifier:	3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide

1TL

1TL
Name:	1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-alpha-L-mannofuranosyl}pyrimidine-2,4(1H,3H)-dione
Formula:	C11 H15 N2 O9 P
SMILES:	O=P(O)(O)OCC32OC(N1C(=O)NC(=O)C=C1)C(OC2C)C3O
InChi:	InChI=1S/C11H15N2O9P/c1-5-11(4-20-23(17,18)19)8(15)7(21-5)9(22-11)13-3-2-6(14)12-10(13)16/h2-3,5,7-9,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t5-,7+,8-,9+,11-/m0/s1
Definition date:	2012-01-11
Last modified:	2012-06-15
Identifier:	1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-alpha-L-mannofuranosyl}pyrimidine-2,4(1H,3H)-dione

B09

B09
Name:	N-methoxybenzenesulfonamide
Formula:	C7 H9 N O3 S
SMILES:	O=S(=O)(NOC)c1ccccc1
InChi:	InChI=1S/C7H9NO3S/c1-11-8-12(9,10)7-5-3-2-4-6-7/h2-6,8H,1H3
Definition date:	2011-08-02
Last modified:	2012-06-15
Identifier:	N-methoxybenzenesulfonamide

RCE

RCE
Name:	1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-beta-D-gulofuranosyl}pyrimidine-2,4(1H,3H)-dione
Formula:	C11 H15 N2 O9 P
SMILES:	O=P(O)(O)OCC32OC(N1C(=O)NC(=O)C=C1)C(OC2C)C3O
InChi:	InChI=1S/C11H15N2O9P/c1-5-11(4-20-23(17,18)19)8(15)7(21-5)9(22-11)13-3-2-6(14)12-10(13)16/h2-3,5,7-9,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t5-,7-,8+,9-,11+/m1/s1
Definition date:	2012-01-11
Last modified:	2012-06-15
Identifier:	1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-beta-D-gulofuranosyl}pyrimidine-2,4(1H,3H)-dione

2AB

2AB
Name:	4-(2-AMINOETHYL)BENZENESULFONIC ACID
Formula:	C8 H11 N O2 S
SMILES:	O=S(O)c1ccc(cc1)CCN
InChi:	InChI=1S/C8H11NO2S/c9-6-5-7-1-3-8(4-2-7)12(10)11/h1-4H,5-6,9H2,(H,10,11)
Definition date:	1999-07-08
Last modified:	2012-05-30
Identifier:	4-(2-aminoethyl)benzenesulfinic acid

0QR

0QR
Name:	N-(6-aminopyridin-2-yl)-4-fluorobenzenesulfonamide
Formula:	C11 H10 F N3 O2 S
SMILES:	O=S(=O)(Nc1nc(ccc1)N)c2ccc(F)cc2
InChi:	InChI=1S/C11H10FN3O2S/c12-8-4-6-9(7-5-8)18(16,17)15-11-3-1-2-10(13)14-11/h1-7H,(H3,13,14,15)
Definition date:	2012-04-18
Last modified:	2012-05-18
Identifier:	N-(6-aminopyridin-2-yl)-4-fluorobenzenesulfonamide

LT4

LT4
Name:	Norepinephrine
Formula:	C8 H11 N O3
SMILES:	Oc1ccc(cc1O)C(O)CN
InChi:	InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
Synonyms:	Noradrenaline
Definition date:	2009-05-08
Last modified:	2012-05-16
Identifier:	4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

YI0

YI0
Name:	4-CHLORO-6-[5-(4-METHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]BENZENE-1,3-DIOL
Formula:	C15 H11 Cl N2 O3 S
SMILES:	Clc3c(O)cc(O)c(c1nnsc1c2ccc(OC)cc2)c3
InChi:	InChI=1S/C15H11ClN2O3S/c1-21-9-4-2-8(3-5-9)15-14(17-18-22-15)10-6-11(16)13(20)7-12(10)19/h2-7,19-20H,1H3
Definition date:	2011-05-10
Last modified:	2012-05-11
Identifier:	4-chloro-6-[5-(4-methoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol

YI5

YI5
Name:	4-CHLORO-6-[5-(3,4-DIMETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]BENZENE-1,3-DIOL
Formula:	C16 H13 Cl N2 O4 S
SMILES:	COc1ccc(cc1OC)c2snnc2c3cc(Cl)c(O)cc3O
InChi:	InChI=1S/C16H13ClN2O4S/c1-22-13-4-3-8(5-14(13)23-2)16-15(18-19-24-16)9-6-10(17)12(21)7-11(9)20/h3-7,20-21H,1-2H3
Definition date:	2011-05-10
Last modified:	2012-05-11
Identifier:	4-chloro-6-[5-(3,4-dimethoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol

6QM

6QM
Name:	4-[5-(4-ETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]-6-ETHYLBENZENE-1,3-DIOL
Formula:	C18 H18 N2 O3 S
SMILES:	n1nsc(c1c2c(O)cc(O)c(c2)CC)c3ccc(OCC)cc3
InChi:	InChI=1S/C18H18N2O3S/c1-3-11-9-14(16(22)10-15(11)21)17-18(24-20-19-17)12-5-7-13(8-6-12)23-4-2/h5-10,21-22H,3-4H2,1-2H3
Definition date:	2011-05-10
Last modified:	2012-05-11
Identifier:	4-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl]-6-ethylbenzene-1,3-diol

BZ8

BZ8
Name:	4-CHLORO-6-[5-(4-ETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL BENZENE-1,3-DIOL
Formula:	C16 H13 Cl N2 O3 S
SMILES:	Clc3c(O)cc(O)c(c1nnsc1c2ccc(OCC)cc2)c3
InChi:	InChI=1S/C16H13ClN2O3S/c1-2-22-10-5-3-9(4-6-10)16-15(18-19-23-16)11-7-12(17)14(21)8-13(11)20/h3-8,20-21H,2H2,1H3
Definition date:	2011-05-10
Last modified:	2012-05-11
Identifier:	4-chloro-6-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol

Q23

Q23
Name:	(3R)-1,1-dioxido-2,3-dihydrothiophen-3-yl benzenesulfonate
Formula:	C10 H10 O5 S2
SMILES:	O=S2(=O)C=CC(OS(=O)(=O)c1ccccc1)C2
InChi:	InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2/t9-/m1/s1
Definition date:	2011-04-07
Last modified:	2012-04-20
Identifier:	(3R)-1,1-dioxido-2,3-dihydrothiophen-3-yl benzenesulfonate

0NS

0NS
Name:	2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide
Formula:	C16 H17 N3 O4 S
SMILES:	O=S(=O)(c1ccccc1OC)Nc2ccc3NC(=O)N(Cc3c2)C
InChi:	InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)
Definition date:	2012-03-26
Last modified:	2012-04-13
Identifier:	2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide

E49

E49
Name:	2-chloro-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
Formula:	C14 H14 Cl N3 O3 S2
SMILES:	O=S(=O)(N)c2c(Cl)ccc(C(=O)CSc1nc(cc(n1)C)C)c2
InChi:	InChI=1S/C14H14ClN3O3S2/c1-8-5-9(2)18-14(17-8)22-7-12(19)10-3-4-11(15)13(6-10)23(16,20)21/h3-6H,7H2,1-2H3,(H2,16,20,21)
Definition date:	2011-06-10
Last modified:	2012-04-13
Identifier:	2-chloro-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide

33B

33B
Name:	3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}
Formula:	C16 H14 Cl2 N4 O8 S2
SMILES:	ClCC(=O)Nc2ccc(/N=N/c1cc(c(NC(=O)CCl)cc1)S(=O)(=O)O)cc2S(=O)(=O)O
InChi:	InChI=1S/C16H14Cl2N4O8S2/c17-7-15(23)19-11-3-1-9(5-13(11)31(25,26)27)21-22-10-2-4-12(20-16(24)8-18)14(6-10)32(28,29)30/h1-6H,7-8H2,(H,19,23)(H,20,24)(H,25,26,27)(H,28,29,30)/b22-21+
Definition date:	2012-02-27
Last modified:	2012-04-13
Identifier:	3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}

E2I

E2I
Name:	4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
Formula:	C16 H19 N3 O3 S2
SMILES:	O=S(=O)(N)c2ccc(C(=O)CSc1ncc(cn1)CCCC)cc2
InChi:	InChI=1S/C16H19N3O3S2/c1-2-3-4-12-9-18-16(19-10-12)23-11-15(20)13-5-7-14(8-6-13)24(17,21)22/h5-10H,2-4,11H2,1H3,(H2,17,21,22)
Definition date:	2011-06-10
Last modified:	2012-04-06
Identifier:	4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide

E50

E50
Name:	2-chloro-5-{[(5-ethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
Formula:	C14 H14 Cl N3 O3 S2
SMILES:	O=S(=O)(N)c2c(Cl)ccc(C(=O)CSc1ncc(cn1)CC)c2
InChi:	InChI=1S/C14H14ClN3O3S2/c1-2-9-6-17-14(18-7-9)22-8-12(19)10-3-4-11(15)13(5-10)23(16,20)21/h3-7H,2,8H2,1H3,(H2,16,20,21)
Definition date:	2011-06-10
Last modified:	2012-04-06
Identifier:	2-chloro-5-{[(5-ethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide

E59

E59
Name:	4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
Formula:	C13 H13 N3 O4 S2
SMILES:	O=C2C=C(N=C(SCC(=O)c1ccc(cc1)S(=O)(=O)N)N2)C
InChi:	InChI=1S/C13H13N3O4S2/c1-8-6-12(18)16-13(15-8)21-7-11(17)9-2-4-10(5-3-9)22(14,19)20/h2-6H,7H2,1H3,(H2,14,19,20)(H,15,16,18)
Definition date:	2011-06-08
Last modified:	2012-04-06
Identifier:	4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide

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