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PMA

PMA
Name:	PYROMELLITIC ACID
Formula:	C10 H6 O8
SMILES:	O=C(O)c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O
InChi:	InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	benzene-1,2,4,5-tetracarboxylic acid

PMB

PMB
Name:	PARA-MERCURY-BENZENESULFONIC ACID
Formula:	C6 H5 Hg O3 S
SMILES:	[Hg]c1ccc(cc1)S(=O)(=O)O
InChi:	InChI=1S/C6H5O3S.Hg/c7-10(8,9)6-4-2-1-3-5-6
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(4-sulfophenyl)mercury

PNT

PNT
Name:	1,5-BIS(4-AMIDINOPHENOXY)PENTANE
Formula:	C19 H24 N4 O2
SMILES:	O(c1ccc(cc1)C(=[N@H])N)CCCCCOc2ccc(C(=[N@H])N)cc2
InChi:	InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide

QN2

QN2
Name:	N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide]
Formula:	C30 H29 I2 N3 O4 S2
SMILES:	O=S(=O)(N(C3C(N(Cc1ccc(I)cc1)S(=O)(=O)c2ccccc2)CNC3)Cc4ccc(I)cc4)c5ccccc5
InChi:	InChI=1S/C30H29I2N3O4S2/c31-25-15-11-23(12-16-25)21-34(40(36,37)27-7-3-1-4-8-27)29-19-33-20-30(29)35(22-24-13-17-26(32)18-14-24)41(38,39)28-9-5-2-6-10-28/h1-18,29-30,33H,19-22H2/t29-,30-/m0/s1
Definition date:	2007-08-03
Last modified:	2011-06-04
Identifier:	N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide]

QN3

QN3
Name:	N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-chlorobenzenesulfonamide)
Formula:	C30 H29 Cl2 N3 O4 S2
SMILES:	O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccccc2Cl)CNC3)Cc4ccccc4)c5ccccc5Cl
InChi:	InChI=1S/C30H29Cl2N3O4S2/c31-25-15-7-9-17-29(25)40(36,37)34(21-23-11-3-1-4-12-23)27-19-33-20-28(27)35(22-24-13-5-2-6-14-24)41(38,39)30-18-10-8-16-26(30)32/h1-18,27-28,33H,19-22H2/t27-,28-/m0/s1
Definition date:	2007-08-03
Last modified:	2011-06-04
Identifier:	N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-chlorobenzenesulfonamide)

D9H

D9H
Name:	4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide
Formula:	C11 H13 Cl N6 O3 S
SMILES:	Clc1nc(nc(n1)NCCO)Nc2ccc(cc2)S(=O)(=O)N
InChi:	InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
Definition date:	2010-04-21
Last modified:	2011-06-04
Identifier:	4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide

DA4

DA4
Name:	3-ethynylbenzenesulfonamide
Formula:	C8 H7 N O2 S
SMILES:	N[S](=O)(=O)c1cccc(c1)C#C
InChi:	InChI=1S/C8H7NO2S/c1-2-7-4-3-5-8(6-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
Definition date:	2009-11-05
Last modified:	2011-06-04
Identifier:	3-ethynylbenzenesulfonamide

DBX

DBX
Name:	2,5-dihydroxybenzenesulfonic acid
Formula:	C6 H6 O5 S
SMILES:	O=S(=O)(O)c1cc(O)ccc1O
InChi:	InChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)
Definition date:	2009-10-01
Last modified:	2011-06-04
Identifier:	2,5-dihydroxybenzenesulfonic acid

DC5

DC5
Name:	2,6-DICHLOROBIPHENYL
Formula:	C12 H8 Cl2
SMILES:	Clc2cccc(Cl)c2c1ccccc1
InChi:	InChI=1S/C12H8Cl2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8H
Definition date:	2010-09-29
Last modified:	2011-06-04
Identifier:	2,6-dichlorobiphenyl

DFT

DFT
Name:	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-5-METHYL-BENZENE-5'MONOPHOSPHATE
Formula:	C12 H15 F2 O6 P
SMILES:	O=P(OCC2OC(c1cc(c(F)cc1F)C)CC2O)(O)O
InChi:	InChI=1S/C12H15F2O6P/c1-6-2-7(9(14)3-8(6)13)11-4-10(15)12(20-11)5-19-21(16,17)18/h2-3,10-12,15H,4-5H2,1H3,(H2,16,17,18)/t10-,11+,12+/m0/s1
Definition date:	1999-09-28
Last modified:	2011-06-04
Identifier:	(1R)-1,4-anhydro-2-deoxy-1-(2,4-difluoro-5-methylphenyl)-5-O-phosphono-D-erythro-pentitol

DID

DID
Name:	4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE
Formula:	C20 H26 N4 O2
SMILES:	O(c1ccc(cc1)C(=[N@H])N)CCCCCCOc2ccc(C(=[N@H])N)cc2
InChi:	InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)
Definition date:	2003-12-17
Last modified:	2011-06-04
Identifier:	4,4'-[hexane-1,6-diylbis(oxy)]dibenzenecarboximidamide

DJZ

DJZ
Name:	3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile
Formula:	C26 H29 N5 O3 S
SMILES:	N#Cc4cc(c(Oc1nc(ncc1)NC3CCN(Cc2ccc(cc2)S(=O)(=O)C)CC3)c(c4)C)C
InChi:	InChI=1S/C26H29N5O3S/c1-18-14-21(16-27)15-19(2)25(18)34-24-8-11-28-26(30-24)29-22-9-12-31(13-10-22)17-20-4-6-23(7-5-20)35(3,32)33/h4-8,11,14-15,22H,9-10,12-13,17H2,1-3H3,(H,28,29,30)
Definition date:	2010-03-19
Last modified:	2011-06-04
Identifier:	3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile

DMB

DMB
Name:	2-((3',5'-DIMETHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
Formula:	C15 H14 N2 O3
SMILES:	O=C(O)c2ccccc2/N=N/c1cc(c(O)c(c1)C)C
InChi:	InChI=1S/C15H14N2O3/c1-9-7-11(8-10(2)14(9)18)16-17-13-6-4-3-5-12(13)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-dimethylphenyl)diazenyl]benzoic acid

R11

R11
Name:	4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-1-YLMETHYL)-1H-BENZOIMIDAZOL-2-YLMETHYL]-AMINO}-BENZAMIDINE
Formula:	C25 H25 N7
SMILES:	[N@H]=C(N)c1ccc(cc1)NCc3nc2cc(ccc2n3C)Cn4c5ccccc5nc4C
InChi:	InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)
Definition date:	2000-11-24
Last modified:	2011-06-04
Identifier:	4-[({1-methyl-5-[(2-methyl-1H-benzimidazol-1-yl)methyl]-1H-benzimidazol-2-yl}methyl)amino]benzenecarboximidamide

R15

R15
Name:	N,N'-(heptane-1,7-diyldicarbamoyl)bis(3-chlorobenzenesulfonamide)
Formula:	C21 H26 Cl2 N4 O6 S2
SMILES:	O=S(=O)(c1cc(Cl)ccc1)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c2cccc(Cl)c2
InChi:	InChI=1S/C21H26Cl2N4O6S2/c22-16-8-6-10-18(14-16)34(30,31)26-20(28)24-12-4-2-1-3-5-13-25-21(29)27-35(32,33)19-11-7-9-17(23)15-19/h6-11,14-15H,1-5,12-13H2,(H2,24,26,28)(H2,25,27,29)
Definition date:	2008-04-09
Last modified:	2011-06-04
Identifier:	N,N'-(heptane-1,7-diyldicarbamoyl)bis(3-chlorobenzenesulfonamide)

IN4

IN4
Name:	+/-METHYL 4-(AMINOIMINOMETHYL)-BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE
Formula:	C20 H24 N4 O2
SMILES:	O=C(OC)CC(c1cc(ccc1)C(=[N@H])N)CCc2ccc(C(=[N@H])N)cc2
InChi:	InChI=1S/C20H24N4O2/c1-26-18(25)12-16(15-3-2-4-17(11-15)20(23)24)10-7-13-5-8-14(9-6-13)19(21)22/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H3,23,24)/t16-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	methyl (3S)-3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)pentanoate

IN7

IN7
Name:	[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID
Formula:	C19 H22 N2 O4 S
SMILES:	O=C(O)CNS(=O)(=O)c1ccc(cc1)N3CCC(c2ccccc2)CC3
InChi:	InChI=1S/C19H22N2O4S/c22-19(23)14-20-26(24,25)18-8-6-17(7-9-18)21-12-10-16(11-13-21)15-4-2-1-3-5-15/h1-9,16,20H,10-14H2,(H,22,23)
Definition date:	1999-10-07
Last modified:	2011-06-04
Identifier:	N-{[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyl}glycine

INK

INK
Name:	(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE
Formula:	C11 H16 Cl O3 P
SMILES:	ClP(=O)(OC(COc1ccccc1)CC)C
InChi:	InChI=1S/C11H16ClO3P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-,16-/m1/s1
Definition date:	2001-01-03
Last modified:	2011-06-04
Identifier:	(1R)-1-(phenoxymethyl)propyl (R)-methylphosphonochloridoate

INU

INU
Name:	N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE
Formula:	C27 H29 N O5 S
SMILES:	O=S(=O)(c1ccccc1)Nc2cccc(c2)C(C3=C(O)C4=C(OC3=O)CCCCCC4)C5CC5
InChi:	InChI=1S/C27H29NO5S/c29-26-22-13-6-1-2-7-14-23(22)33-27(30)25(26)24(18-15-16-18)19-9-8-10-20(17-19)28-34(31,32)21-11-4-3-5-12-21/h3-5,8-12,17-18,24,28-29H,1-2,6-7,13-16H2/t24-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N-{3-[(S)-cyclopropyl(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)methyl]phenyl}benzenesulfonamide

IPH

IPH
Name:	PHENOL
Formula:	C6 H6 O
SMILES:	Oc1ccccc1
InChi:	InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	phenol

IXS

IXS
Name:	N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide
Formula:	C34 H44 F N5 O5 S
SMILES:	O=S(=O)(N(c1cc(cc(c1)C(=O)NC(c2ccc(F)cc2)C)C(=O)NC(Cc3ccccc3)CNC(C(=O)NCC(C)C)C)C)C
InChi:	InChI=1S/C34H44FN5O5S/c1-22(2)20-37-32(41)24(4)36-21-30(16-25-10-8-7-9-11-25)39-34(43)28-17-27(18-31(19-28)40(5)46(6,44)45)33(42)38-23(3)26-12-14-29(35)15-13-26/h7-15,17-19,22-24,30,36H,16,20-21H2,1-6H3,(H,37,41)(H,38,42)(H,39,43)/t23-,24+,30+/m1/s1
Definition date:	2007-08-24
Last modified:	2011-06-04
Identifier:	N-[(1S)-1-benzyl-2-({(1S)-1-methyl-2-[(2-methylpropyl)amino]-2-oxoethyl}amino)ethyl]-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide

REO

REO
Name:	PERRHENATE
Formula:	O4 Re
SMILES:	[O-][Re](=O)(=O)=O
InChi:	InChI=1S/4O.Re/q
Definition date:	2000-12-13
Last modified:	2011-06-04
Identifier:	oxido(trioxo)rhenium

RKA

RKA
Name:	N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-PHENYLENE)DIBENZENECARBOXIMIDAMIDE
Formula:	C30 H25 N5
SMILES:	[N@H]=C(c1ccccc1)Nc5ccc(c4ccc(c3ccc(NC(=[N@H])c2ccccc2)cc3)n4)cc5
InChi:	InChI=1S/C30H25N5/c31-29(23-7-3-1-4-8-23)33-25-15-11-21(12-16-25)27-19-20-28(35-27)22-13-17-26(18-14-22)34-30(32)24-9-5-2-6-10-24/h1-20,35H,(H2,31,33)(H2,32,34)
Definition date:	2006-05-11
Last modified:	2011-06-04
Identifier:	N,N'-(1H-pyrrole-2,5-diyldibenzene-4,1-diyl)dibenzenecarboximidamide

RN8

RN8
Name:	3,3'-benzene-1,4-diylbis(4-cyano-5-ethylthiophene-2-carboxylic acid)
Formula:	C22 H16 N2 O4 S2
SMILES:	N#Cc1c(c(sc1CC)C(=O)O)c3ccc(c2c(C#N)c(sc2C(=O)O)CC)cc3
InChi:	InChI=1S/C22H16N2O4S2/c1-3-15-13(9-23)17(19(29-15)21(25)26)11-5-7-12(8-6-11)18-14(10-24)16(4-2)30-20(18)22(27)28/h5-8H,3-4H2,1-2H3,(H,25,26)(H,27,28)
Definition date:	2011-04-26
Last modified:	2011-06-04
Identifier:	3,3'-benzene-1,4-diylbis(4-cyano-5-ethylthiophene-2-carboxylic acid)

RNN

RNN
Name:	N,N'-(benzene-1,4-diyldiethane-2,1-diyl)dipropane-2-sulfonamide
Formula:	C16 H28 N2 O4 S2
SMILES:	O=S(=O)(NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C)C(C)C
InChi:	InChI=1S/C16H28N2O4S2/c1-13(2)23(19,20)17-11-9-15-5-7-16(8-6-15)10-12-18-24(21,22)14(3)4/h5-8,13-14,17-18H,9-12H2,1-4H3
Definition date:	2011-04-26
Last modified:	2011-06-04
Identifier:	N,N'-(benzene-1,4-diyldiethane-2,1-diyl)dipropane-2-sulfonamide

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