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AZB

AZB
Name:	4-{(E)-[4-(propan-2-yl)phenyl]diazenyl}phenol
Formula:	C15 H16 N2 O
SMILES:	N(=N/c1ccc(O)cc1)c2ccc(cc2)C(C)C
InChi:	InChI=1S/C15H16N2O/c1-11(2)12-3-5-13(6-4-12)16-17-14-7-9-15(18)10-8-14/h3-11,18H,1-2H3/b17-16+
Definition date:	2011-03-14
Last modified:	2011-10-14
Identifier:	4-{(E)-[4-(propan-2-yl)phenyl]diazenyl}phenol

670

670
Name:	p-(4-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
Formula:	C18 H8 Fe N4 O2 S
SMILES:	O=S(=O)(c1ccc(cc1)n2nnc(c2)C3%11C%13=C%12C5=C34)N
InChi:	InChI=1S/C13H7N4O2S.C5H.Fe/c14-20(18,19)12-7-5-11(6-8-12)17-9-13(15-16-17)10-3-1-2-4-10
Definition date:	2010-11-08
Last modified:	2011-10-07
Identifier:	[(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]cyclopentadienyl}iron

6PP

6PP
Name:	3-[(2Z)-3-methylpent-2-en-1-yl]benzene-1,2-diol
Formula:	C12 H16 O2
SMILES:	Oc1c(cccc1O)C/C=C(/C)CC
InChi:	InChI=1S/C12H16O2/c1-3-9(2)7-8-10-5-4-6-11(13)12(10)14/h4-7,13-14H,3,8H2,1-2H3/b9-7-
Definition date:	2011-09-21
Last modified:	2011-10-07
Identifier:	3-[(2Z)-3-methylpent-2-en-1-yl]benzene-1,2-diol

067

067
Name:	p-(4-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
Formula:	C18 H8 N4 O2 Ru S
SMILES:	O=S9(=O)N
InChi:	InChI=1S/C13H7N4O2S.C5H.Ru/c14-20(18,19)12-7-5-11(6-8-12)17-9-13(15-16-17)10-3-1-2-4-10
Definition date:	2010-11-05
Last modified:	2011-10-07
Identifier:	[(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]cyclopentadienyl}ruthenium

646

646
Name:	2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
Formula:	C21 H24 Cl2 N6 O2 S
SMILES:	Clc3cc(c2ccnc(N1CCNCC1)c2)cc(Cl)c3S(=O)(=O)Nc4c(n(nc4C)C)C
InChi:	InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-25-19(12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3
Definition date:	2009-09-03
Last modified:	2011-10-03
Identifier:	2,6-dichloro-4-[2-(piperazin-1-yl)pyridin-4-yl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide

84A

84A
Name:	p-(5-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
Formula:	C18 H8 Fe N4 O2 S
SMILES:	O=S(=O)(c1ccc(cc1)n2nncc2C3%11C%13=C%12C5=C34)N
InChi:	InChI=1S/C13H7N4O2S.C5H.Fe/c14-20(18,19)12-7-5-11(6-8-12)17-13(9-15-16-17)10-3-1-2-4-10
Definition date:	2010-11-01
Last modified:	2011-09-23
Identifier:	[(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-5-yl]cyclopentadienyl}iron

498

498
Name:	p-(5-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
Formula:	C18 H8 N4 O2 Ru S
SMILES:	O=S(=O)(c1ccc(cc1)n2nncc2C3%11C%13=C%12C5=C34)N
InChi:	InChI=1S/C13H7N4O2S.C5H.Ru/c14-20(18,19)12-7-5-11(6-8-12)17-13(9-15-16-17)10-3-1-2-4-10
Definition date:	2010-11-01
Last modified:	2011-09-16
Identifier:	[(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-5-yl]cyclopentadienyl}ruthenium

HQN

HQN
Name:	benzene-1,2,4-triol
Formula:	C6 H6 O3
SMILES:	Oc1cc(O)c(O)cc1
InChi:	InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H
Definition date:	2010-08-05
Last modified:	2011-08-12
Identifier:	benzene-1,2,4-triol

BOP

BOP
Name:	1-BROMO-4-METHOXYBENZENE
Formula:	C7 H7 Br O
SMILES:	4-bromophenyl methyl ether
InChi:	InChI=1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
Definition date:	2003-11-24
Last modified:	2011-08-06
Identifier:	1-bromo-4-methoxybenzene

PO0

PO0
Name:	1-BENZYL-(R)-PROPYLAMINE
Formula:	C10 H15 N
SMILES:	NC(Cc1ccccc1)CC
InChi:	InChI=1S/C10H15N/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7,10H,2,8,11H2,1H3/t10-/m1/s1
Definition date:	2001-02-26
Last modified:	2011-08-06
Identifier:	(2R)-1-phenylbutan-2-amine

PTF

PTF
Name:	[(METHYLSULFANYL)METHYL]BENZENE
Formula:	C8 H10 S
SMILES:	benzyl methyl sulfide
InChi:	InChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
Definition date:	2003-11-24
Last modified:	2011-08-06
Identifier:	[(methylsulfanyl)methyl]benzene

3OJ

3OJ
Name:	4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile
Formula:	C15 H9 B N2 O3
SMILES:	N#Cc3cc(Oc2cc1c(B(O)OC1)cc2)ccc3C#N
InChi:	InChI=1S/C15H9BN2O3/c17-7-10-1-2-13(5-11(10)8-18)21-14-3-4-15-12(6-14)9-20-16(15)19/h1-6,19H,9H2
Definition date:	2010-07-21
Last modified:	2011-08-05
Identifier:	4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile

SKE

SKE
Name:	4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide
Formula:	C15 H12 F2 N6 O3 S
SMILES:	O=C(c1c(F)cccc1F)n2nc(nc2N)Nc3ccc(cc3)S(=O)(=O)N
InChi:	InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
Definition date:	2010-08-19
Last modified:	2011-07-29
Identifier:	4-{[5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino}benzenesulfonamide

1ZB

1ZB
Name:	N-[(1S)-1-benzyl-3-diazen-1-iumylidene-2-oxopropyl]glycinamide
Formula:	C12 H14 N4 O2
SMILES:	[N-]=[N+]=CC(=O)C(NC(=O)CN)Cc1ccccc1
InChi:	InChI=1S/C12H14N4O2/c13-7-12(18)16-10(11(17)8-15-14)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7,13H2,(H,16,18)/t10-/m0/s1
Definition date:	2009-03-11
Last modified:	2011-07-13
Identifier:	N-[(2S)-4-diazo-3-oxo-1-phenylbutan-2-yl]glycinamide

QV6

QV6
Name:	3-({4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid
Formula:	C31 H28 N2 O8 S2
SMILES:	O=S(=O)(O)c1cc(c(cc1C)C)Nc4c3C(=O)c2ccccc2C(=O)c3c(cc4)Nc5c(cc(c(c5C)S(=O)(=O)O)C)C
InChi:	InChI=1S/C31H28N2O8S2/c1-15-12-16(2)25(42(36,37)38)14-24(15)32-22-10-11-23(27-26(22)29(34)20-8-6-7-9-21(20)30(27)35)33-28-17(3)13-18(4)31(19(28)5)43(39,40)41/h6-14,32-33H,1-5H3,(H,36,37,38)(H,39,40,41)
Definition date:	2011-03-01
Last modified:	2011-06-24
Identifier:	3-({4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid

PQC

PQC
Name:	3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide
Formula:	C22 H16 N4 O2 S2
SMILES:	O=S(=O)(N)c1cccc(c1)Nc2nc4c(cn2)ccc3sc(cc34)c5ccccc5
InChi:	InChI=1S/C22H16N4O2S2/c23-30(27,28)17-8-4-7-16(11-17)25-22-24-13-15-9-10-19-18(21(15)26-22)12-20(29-19)14-5-2-1-3-6-14/h1-13H,(H2,23,27,28)(H,24,25,26)
Definition date:	2011-05-26
Last modified:	2011-06-17
Identifier:	3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide

L94

L94
Name:	N'-{(Z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-N,N-dimethylpropane-1,3-diaminium
Formula:	C18 H36 N6
SMILES:	C(/c1ccc(C(/N)=[NH+]/CCC[NH+](C)C)cc1)(=[NH+]CCC[NH+](C)C)N
InChi:	InChI=1S/C18H32N6/c1-23(2)13-5-11-21-17(19)15-7-9-16(10-8-15)18(20)22-12-6-14-24(3)4/h7-10H,5-6,11-14H2,1-4H3,(H2,19,21)(H2,20,22)/p+4
Definition date:	2011-02-09
Last modified:	2011-06-10
Identifier:	(Z,Z)-{benzene-1,4-diylbis[(Z)-aminomethylylidene]}bis{[3-(dimethylammonio)propyl]ammonium}

2A7

2A7
Name:	5-METHOXY-BENZENE-1,3-DIOL
Formula:	C7 H8 O3
SMILES:	Oc1cc(O)cc(OC)c1
InChi:	InChI=1S/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H3
Definition date:	2011-03-25
Last modified:	2011-06-10
Identifier:	5-methoxybenzene-1,3-diol

SFP

SFP
Name:	5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-21H,23H-PORPHINE
Formula:	C44 H34 N4 O12 S4
SMILES:	[O-]S(O)(O)c1ccc(cc1)c5c9ccc(c(c7nc(c(c2nc(cc2)c(c3ccc(cc3)S([O-])(O)O)c4nc5C=C4)c6ccc(cc6)S([O-])(O)O)C=C7)c8ccc(cc8)S([O-])(O)O)n9
InChi:	InChI=1S/C44H38N4O12S4/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57/h1-24,45,48-60H/p-4/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
Definition date:	2001-09-19
Last modified:	2011-06-07
Identifier:	{porphyrin-5,10,15,20-tetrayltetrakis[benzene-4,1-diyl(dihydroxy-lambda~4~-sulfanediyl)]}tetraoxidanide

Y00

Y00
Name:	DOBUTAMINE
Formula:	C18 H23 N O3
SMILES:	C[CH](CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2
InChi:	InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3/t13-/m1/s1
Definition date:	2010-11-30
Last modified:	2011-06-04
Identifier:	4-[2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethyl]benzene-1,2-diol

Z00

Z00
Name:	4-[2-[[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]AMINO]ETHYL]-N-(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)BENZENESULFONAMIDE
Formula:	C19 H19 Cl F3 N5 O2 S2
SMILES:	CC(C)c1sc(N[S](=O)(=O)c2ccc(CCNc3ncc(cc3Cl)C(F)(F)F)cc2)nn1
InChi:	InChI=1S/C19H19ClF3N5O2S2/c1-11(2)17-26-27-18(31-17)28-32(29,30)14-5-3-12(4-6-14)7-8-24-16-15(20)9-13(10-25-16)19(21,22)23/h3-6,9-11H,7-8H2,1-2H3,(H,24,25)(H,27,28)
Definition date:	2010-11-19
Last modified:	2011-06-04
Identifier:	4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

Z12

Z12
Name:	2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide
Formula:	C21 H12 Cl4 N2 O3 S
SMILES:	Clc1ccc(c(Cl)c1)S(=O)(=O)Nc4cc(Cl)c(Oc2cc3ccccc3nc2)c(Cl)c4
InChi:	InChI=1S/C21H12Cl4N2O3S/c22-13-5-6-20(16(23)8-13)31(28,29)27-14-9-17(24)21(18(25)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H
Definition date:	2009-01-20
Last modified:	2011-06-04
Identifier:	2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide

Y12

Y12
Name:	4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE
Formula:	C21 H21 N O5
SMILES:	O=C(Oc1cc(ccc1OC(=O)C)C=CC(=O)NCCc2ccccc2)C
InChi:	InChI=1S/C21H21NO5/c1-15(23)26-19-10-8-18(14-20(19)27-16(2)24)9-11-21(25)22-13-12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,22,25)/b11-9+
Definition date:	2005-11-10
Last modified:	2011-06-04
Identifier:	4-{(1E)-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}benzene-1,2-diyl diacetate

Z27

Z27
Name:	2-chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide
Formula:	C20 H10 Cl3 F3 N2 O2 S3
SMILES:	FC(F)(F)c1ccc(c(Cl)c1)S(=O)(=O)Nc4ccc(Sc2nc3cc(Cl)ccc3s2)c(Cl)c4
InChi:	InChI=1S/C20H10Cl3F3N2O2S3/c21-11-2-4-17-15(8-11)27-19(32-17)31-16-5-3-12(9-13(16)22)28-33(29,30)18-6-1-10(7-14(18)23)20(24,25)26/h1-9,28H
Definition date:	2009-10-20
Last modified:	2011-06-04
Identifier:	2-chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide

HAB

HAB
Name:	2-((4'-HYDROXYPHENYL)-AZO)BENZOIC ACID
Formula:	C13 H10 N2 O3
SMILES:	O=C(O)c2ccccc2/N=N/c1ccc(O)cc1
InChi:	InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)/b15-14+
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2-[(E)-(4-hydroxyphenyl)diazenyl]benzoic acid

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