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MR0

MR0
Name:	N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE
Formula:	C33 H40 F2 N4 O5
SMILES:	O=C(N)c1cc(cc(C(=O)N(CCC)CCC)c1)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)CNCc3cc(OC)ccc3
InChi:	InChI=1S/C33H40F2N4O5/c1-4-9-39(10-5-2)33(43)25-16-23(31(36)41)15-24(17-25)32(42)38-29(14-22-11-26(34)18-27(35)12-22)30(40)20-37-19-21-7-6-8-28(13-21)44-3/h6-8,11-13,15-18,29-30,37,40H,4-5,9-10,14,19-20H2,1-3H3,(H2,36,41)(H,38,42)/t29-,30+/m0/s1
Definition date:	2007-03-28
Last modified:	2011-06-04
Identifier:	N~3~-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~,N~1~-dipropylbenzene-1,3,5-tricarboxamide

MSB

MSB
Name:	1-METHYLOXY-4-SULFONE-BENZENE
Formula:	C7 H8 O3 S
SMILES:	4-(dioxidosulfanyl)phenyl methyl ether
InChi:	InChI=1S/C7H8O3S/c1-10-6-2-4-7(5-3-6)11(8)9/h2-5,11H,1H3
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	1-(dioxidosulfanyl)-4-methoxybenzene

3AF

3AF
Name:	2,5-BIS{[4-(2-PENTYL)DIAMINOMETHYL]PHENYL}FURAN
Formula:	C28 H40 N4 O
SMILES:	o1c(ccc1c2ccc(cc2)C(N)NC(C)CCC)c3ccc(cc3)C(N)NC(C)CCC
InChi:	InChI=1S/C28H40N4O/c1-5-7-19(3)31-27(29)23-13-9-21(10-14-23)25-17-18-26(33-25)22-11-15-24(16-12-22)28(30)32-20(4)8-6-2/h9-20,27-28,31-32H,5-8,29-30H2,1-4H3/t19-,20-,27+,28+/m1/s1
Definition date:	2006-05-09
Last modified:	2011-06-04
Identifier:	(S,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis{N-[(1R)-1-methylbutyl]methanediamine}

MSJ

MSJ
Name:	N-{5-[(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methoxy]-2-methylpentan-2-yl}benzenesulfonamide
Formula:	C17 H23 N3 O5 S
SMILES:	O=S(=O)(c1ccccc1)NC(C)(C)CCCOCN2C=CC(=O)NC2=O
InChi:	InChI=1S/C17H23N3O5S/c1-17(2,19-26(23,24)14-7-4-3-5-8-14)10-6-12-25-13-20-11-9-15(21)18-16(20)22/h3-5,7-9,11,19H,6,10,12-13H2,1-2H3,(H,18,21,22)
Definition date:	2010-12-06
Last modified:	2011-06-04
Identifier:	N-{5-[(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methoxy]-2-methylpentan-2-yl}benzenesulfonamide

MTB

MTB
Name:	2-((3'-TERTBUTYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
Formula:	C17 H18 N2 O3
SMILES:	O=C(O)c2ccccc2/N=N/c1ccc(O)c(c1)C(C)(C)C
InChi:	InChI=1S/C17H18N2O3/c1-17(2,3)13-10-11(8-9-15(13)20)18-19-14-7-5-4-6-12(14)16(21)22/h4-10,20H,1-3H3,(H,21,22)/b19-18+
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2-[(E)-(3-tert-butyl-4-hydroxyphenyl)diazenyl]benzoic acid

3CE

3CE
Name:	3-chlorobenzene-1,2-diol
Formula:	C6 H5 Cl O2
SMILES:	Clc1cccc(O)c1O
InChi:	InChI=1S/C6H5ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
Definition date:	2009-07-09
Last modified:	2011-06-04
Identifier:	3-chlorobenzene-1,2-diol

3FZ

3FZ
Name:	3-formylbenzenecarboximidamide
Formula:	C8 H8 N2 O
SMILES:	O=Cc1cccc(C(=[N@H])N)c1
InChi:	InChI=1S/C8H8N2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-5H,(H3,9,10)
Definition date:	2009-10-08
Last modified:	2011-06-04
Identifier:	3-formylbenzenecarboximidamide

MY9

MY9
Name:	N-{(1S,2S)-1-BENZYL-2-HYDROXY-2-[(4S)-1,2,2-TRIMETHYL-5-OXOIMIDAZOLIDIN-4-YL]ETHYL}-N'-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]ISOPHTHALAMIDE
Formula:	C33 H40 F N5 O6 S
SMILES:	O=C1N(C)C(NC1C(O)C(NC(=O)c3cc(N(C)S(=O)(=O)C)cc(C(=O)NC(c2ccc(F)cc2)C)c3)Cc4ccccc4)(C)C
InChi:	InChI=1S/C33H40FN5O6S/c1-20(22-12-14-25(34)15-13-22)35-30(41)23-17-24(19-26(18-23)39(5)46(6,44)45)31(42)36-27(16-21-10-8-7-9-11-21)29(40)28-32(43)38(4)33(2,3)37-28/h7-15,17-20,27-29,37,40H,16H2,1-6H3,(H,35,41)(H,36,42)/t20-,27+,28+,29+/m1/s1
Definition date:	2007-03-28
Last modified:	2011-06-04
Identifier:	N-{(1S,2S)-1-benzyl-2-hydroxy-2-[(4S)-1,2,2-trimethyl-5-oxoimidazolidin-4-yl]ethyl}-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide

3GP

3GP
Name:	GUANOSINE-3'-MONOPHOSPHATE
Formula:	C10 H14 N5 O8 P
SMILES:	O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3O)CO
InChi:	InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3'-guanylic acid

MYP

MYP
Name:	4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE
Formula:	C31 H42 N4 O5 S
SMILES:	O=S(=O)(c1ccccc1)/C=C/C(NC(=O)C(NC(=O)N3CCC(N2CCOCC2)CC3)Cc4ccccc4)CCC
InChi:	InChI=1S/C31H42N4O5S/c1-2-9-26(16-23-41(38,39)28-12-7-4-8-13-28)32-30(36)29(24-25-10-5-3-6-11-25)33-31(37)35-17-14-27(15-18-35)34-19-21-40-22-20-34/h3-8,10-13,16,23,26-27,29H,2,9,14-15,17-22,24H2,1H3,(H,32,36)(H,33,37)/t26-,29-/m0/s1
Definition date:	2002-10-07
Last modified:	2011-06-04
Identifier:	Nalpha-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]-N-{(1S)-1-[(E)-2-(phenylsulfonyl)ethenyl]butyl}-L-phenylalaninamide

NJ8

NJ8
Name:	3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile
Formula:	C16 H14 Cl N O2
SMILES:	Clc2cc(C#N)ccc2Oc1ccc(cc1O)CCC
InChi:	InChI=1S/C16H14ClNO2/c1-2-3-11-4-7-16(14(19)9-11)20-15-6-5-12(10-18)8-13(15)17/h4-9,19H,2-3H2,1H3
Definition date:	2010-06-21
Last modified:	2011-06-04
Identifier:	3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile

3NT

3NT
Name:	3-NITROTOLUENE
Formula:	C7 H7 N O2
SMILES:	O=[N+]([O-])c1cccc(c1)C
InChi:	InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
Definition date:	2005-03-15
Last modified:	2011-06-04
Identifier:	1-methyl-3-nitrobenzene

NP1

NP1
Name:	N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE
Formula:	C10 H15 N3 O2
SMILES:	[O-][N+](=O)c1cc(ccc1NCCCN)C
InChi:	InChI=1S/C10H15N3O2/c1-8-3-4-9(12-6-2-5-11)10(7-8)13(14)15/h3-4,7,12H,2,5-6,11H2,1H3
Definition date:	2005-01-17
Last modified:	2011-06-04
Identifier:	N-(4-methyl-2-nitrophenyl)propane-1,3-diamine

NP2

NP2
Name:	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE
Formula:	C9 H13 N3 O2
SMILES:	[O-][N+](=O)c1ccccc1NCCCN
InChi:	InChI=1S/C9H13N3O2/c10-6-3-7-11-8-4-1-2-5-9(8)12(13)14/h1-2,4-5,11H,3,6-7,10H2
Definition date:	2005-01-17
Last modified:	2011-06-04
Identifier:	N-(2-nitrophenyl)propane-1,3-diamine

NPP

NPP
Name:	N-(2-AMINO-ETHYL)-4,6-DINITRO-N'-(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-4-YL)-BENZENE-1,3-DIAMINE
Formula:	C17 H27 N6 O5
SMILES:	[O-]N2C(CC(Nc1cc(NCCN)c([N+]([O-])=O)cc1[N+]([O-])=O)CC2(C)C)(C)C
InChi:	InChI=1S/C17H27N6O5/c1-16(2)9-11(10-17(3,4)23(16)28)20-13-7-12(19-6-5-18)14(21(24)25)8-15(13)22(26)27/h7-8,11,19-20H,5-6,9-10,18H2,1-4H3/q-1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-({5-[(2-aminoethyl)amino]-2,4-dinitrophenyl}amino)-2,2,6,6-tetramethylpiperidin-1-olate

NR2

NR2
Name:	N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-4-METHYLBENZENESULFONAMIDE
Formula:	C14 H15 N3 O5 S2
SMILES:	O=S(=O)(c1ccc(cc1)C)NC(=O)Nc2ccc(cc2)S(=O)(=O)N
InChi:	InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
Definition date:	2005-09-13
Last modified:	2011-06-04
Identifier:	4-methyl-N-[(4-sulfamoylphenyl)carbamoyl]benzenesulfonamide

730

730
Name:	(S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN-1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)-3-OXOPROPYL)BENZIMIDAMIDE
Formula:	C28 H35 N7 O3 S
SMILES:	O=C(N1CCC(CCNC(=[N@H])N)CC1)C(NS(=O)(=O)c3cc2ccccc2cc3)Cc4cc(C(=[N@H])N)ccc4
InChi:	InChI=1S/C28H35N7O3S/c29-26(30)23-7-3-4-20(16-23)17-25(27(36)35-14-11-19(12-15-35)10-13-33-28(31)32)34-39(37,38)24-9-8-21-5-1-2-6-22(21)18-24/h1-9,16,18-19,25,34H,10-15,17H2,(H3,29,30)(H4,31,32,33)/t25-/m0/s1
Definition date:	2006-05-03
Last modified:	2011-06-04
Identifier:	3-{(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide

74A

74A
Name:	N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
Formula:	C35 H42 F2 N4 O4
SMILES:	CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)[CH]3CN(CCN3)C(=O)c4ccccc4
InChi:	InChI=1S/C35H42F2N4O4/c1-4-12-40(13-5-2)35(45)27-16-23(3)15-26(20-27)33(43)39-30(19-24-17-28(36)21-29(37)18-24)32(42)31-22-41(14-11-38-31)34(44)25-9-7-6-8-10-25/h6-10,15-18,20-21,30-32,38,42H,4-5,11-14,19,22H2,1-3H3,(H,39,43)/t30-,31+,32-/m0/s1
Definition date:	2010-02-11
Last modified:	2011-06-04
Identifier:	N3-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-(phenylcarbonyl)piperazin-2-yl]propan-2-yl]-5-methyl-N1,N1-dipropyl-benzene-1,3-dicarboxamide

757

757
Name:	5-[[(2S)-2-[[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid
Formula:	C42 H45 F2 N5 O12 S
SMILES:	O=C(O)c1cc(cc(C(=O)O)c1)NC(=O)C(NC(=O)CC(O)C(NC(=O)c3cc(N(C)S(=O)(=O)C)cc(C(=O)NC(c2ccccc2)C)c3)COc4cc(F)cc(F)c4)C(C)C
InChi:	InChI=1S/C42H45F2N5O12S/c1-22(2)37(40(54)46-31-13-27(41(55)56)12-28(14-31)42(57)58)48-36(51)20-35(50)34(21-61-33-18-29(43)17-30(44)19-33)47-39(53)26-11-25(15-32(16-26)49(4)62(5,59)60)38(52)45-23(3)24-9-7-6-8-10-24/h6-19,22-23,34-35,37,50H,20-21H2,1-5H3,(H,45,52)(H,46,54)(H,47,53)(H,48,51)(H,55,56)(H,57,58)/t23-,34+,35-,37+/m1/s1
Definition date:	2008-07-03
Last modified:	2011-06-04
Identifier:	5-{[(2S)-2-{[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-{[(3-[methyl(methylsulfonyl)amino]-5-{[(1R)-1-phenylethyl]carbamoyl}phenyl)carbonyl]amino}pentanoyl]amino}-3-methylbutanoyl]amino}benzene-1,3-dicarboxylic acid (non-preferred name)

771

771
Name:	4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE
Formula:	C23 H26 N4 O4 S
SMILES:	O=S(=O)(Nc2cc(OCc1ccccc1)c(OC)cc2CNc3ccc(C(=[N@H])N)cc3)C
InChi:	InChI=1S/C23H26N4O4S/c1-30-21-12-18(14-26-19-10-8-17(9-11-19)23(24)25)20(27-32(2,28)29)13-22(21)31-15-16-6-4-3-5-7-16/h3-13,26-27H,14-15H2,1-2H3,(H3,24,25)
Definition date:	2004-06-15
Last modified:	2011-06-04
Identifier:	4-({4-(benzyloxy)-5-methoxy-2-[(methylsulfonyl)amino]benzyl}amino)benzenecarboximidamide

OBZ

OBZ
Name:	O-benzylhydroxylamine
Formula:	C7 H9 N O
SMILES:	[(aminooxy)methyl]benzene
InChi:	InChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2
Definition date:	2008-07-23
Last modified:	2011-06-04
Identifier:	O-benzylhydroxylamine

2IB

2IB
Name:	2-IODOBENZYL GROUP
Formula:	C7 H7 I
SMILES:	Ic1ccccc1C
InChi:	InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	1-iodo-2-methylbenzene

2NQ

2NQ
Name:	N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide
Formula:	C24 H20 Cl F N4 O3 S
SMILES:	Fc1ccc(cc1)S(=O)(=O)Nc2cc(cnc2Cl)c4cc3c(ccnc3cc4)N5CCOCC5
InChi:	InChI=1S/C24H20ClFN4O3S/c25-24-22(29-34(31,32)19-4-2-18(26)3-5-19)14-17(15-28-24)16-1-6-21-20(13-16)23(7-8-27-21)30-9-11-33-12-10-30/h1-8,13-15,29H,9-12H2
Definition date:	2011-05-19
Last modified:	2011-06-04
Identifier:	N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide

OSA

OSA
Name:	7-amino-4-hydroxy-3-[(E)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
Formula:	C20 H15 N3 O8 S2
SMILES:	O=S(=O)(O)c4cc3cc(/N=N/c2c(O)c1c(cc(cc1)N)cc2S(=O)(=O)O)ccc3c(O)c4
InChi:	InChI=1S/C20H15N3O8S2/c21-12-1-3-16-10(5-12)8-18(33(29,30)31)19(20(16)25)23-22-13-2-4-15-11(6-13)7-14(9-17(15)24)32(26,27)28/h1-9,24-25H,21H2,(H,26,27,28)(H,29,30,31)/b23-22+
Definition date:	2010-06-02
Last modified:	2011-06-04
Identifier:	7-amino-4-hydroxy-3-[(E)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid

OXE

OXE
Name:	ORTHO-XYLENE
Formula:	C8 H10
SMILES:	c1cccc(c1C)C
InChi:	InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	1,2-dimethylbenzene

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