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3A1

3A1
Name:	N~2~-{(2S)-3-[(R)-hydroxy{(1R)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-L-lysyl-D-serine
Formula:	C29 H41 N4 O8 P
SMILES:	O=C(O)C(NC(=O)C(NC(=O)C(C)CP(=O)(O)C(NC(=O)Cc1ccccc1)Cc2ccccc2)CCCCN)CO
InChi:	InChI=1S/C29H41N4O8P/c1-20(27(36)31-23(14-8-9-15-30)28(37)32-24(18-34)29(38)39)19-42(40,41)26(17-22-12-6-3-7-13-22)33-25(35)16-21-10-4-2-5-11-21/h2-7,10-13,20,23-24,26,34H,8-9,14-19,30H2,1H3,(H,31,36)(H,32,37)(H,33,35)(H,38,39)(H,40,41)/t20-,23+,24-,26-/m1/s1
Definition date:	2010-02-05
Last modified:	2011-06-04
Identifier:	N~2~-{(2S)-3-[(R)-hydroxy{(1R)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-L-lysyl-D-serine

3A2

3A2
Name:	1-{3-[(R)-{(1R)-1-[(glycyl-L-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-L-prolyl-D-norleucine
Formula:	C29 H44 N5 O8 P
SMILES:	O=C(NC(Cc1ccccc1)P(=O)(O)CCC(=O)N2C(C(=O)NC(C(=O)O)CCCC)CCC2)C3N(C(=O)CN)CCC3
InChi:	InChI=1S/C29H44N5O8P/c1-2-3-11-21(29(39)40)31-27(37)22-12-7-15-33(22)25(35)14-17-43(41,42)24(18-20-9-5-4-6-10-20)32-28(38)23-13-8-16-34(23)26(36)19-30/h4-6,9-10,21-24H,2-3,7-8,11-19,30H2,1H3,(H,31,37)(H,32,38)(H,39,40)(H,41,42)/t21-,22+,23+,24-/m1/s1
Definition date:	2010-02-05
Last modified:	2011-06-04
Identifier:	1-{3-[(R)-{(1R)-1-[(glycyl-L-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-L-prolyl-D-norleucine

3A3

3A3
Name:	2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID
Formula:	C17 H13 N O7
SMILES:	O=C(O)COc3ccc2c1ccc(OCC(=O)O)cc1/C(=NO)c2c3
InChi:	InChI=1S/C17H13NO7/c19-15(20)7-24-9-1-3-11-12-4-2-10(25-8-16(21)22)6-14(12)17(18-23)13(11)5-9/h1-6,23H,7-8H2,(H,19,20)(H,21,22)
Definition date:	2006-03-09
Last modified:	2011-06-04
Identifier:	2,2'-{[9-(hydroxyimino)-9H-fluorene-2,7-diyl]bis(oxy)}diacetic acid

3AB

3AB
Name:	3-aminobenzamide
Formula:	C7 H8 N2 O
SMILES:	O=C(c1cc(N)ccc1)N
InChi:	InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)
Definition date:	2009-03-24
Last modified:	2011-06-04
Identifier:	3-aminobenzamide

3AD

3AD
Name:	3'-DEOXYADENOSINE
Formula:	C10 H13 N5 O3
SMILES:	n2c1c(ncnc1n(c2)C3OC(CC3O)CO)N
InChi:	InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
Definition date:	2000-08-03
Last modified:	2011-06-04
Identifier:	3'-deoxyadenosine

3AP

3AP
Name:	3-AMINOPYRIDINE
Formula:	C5 H7 N2
SMILES:	Nc1ccc[nH+]c1
InChi:	InChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2/p+1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3-aminopyridinium

RMN

RMN
Name:	(R)-MANDELIC ACID
Formula:	C8 H8 O3
SMILES:	O=C(O)C(O)c1ccccc1
InChi:	InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2R)-hydroxy(phenyl)ethanoic acid

RMP

RMP
Name:	2'-DEOXY-ADENOSINE-5'-RP-MONOMETHYLPHOSPHONATE
Formula:	C11 H16 N5 O5 P
SMILES:	O=P(O)(OCC3OC(n2cnc1c(ncnc12)N)CC3O)C
InChi:	InChI=1S/C11H16N5O5P/c1-22(18,19)20-3-7-6(17)2-8(21-7)16-5-15-9-10(12)13-4-14-11(9)16/h4-8,17H,2-3H2,1H3,(H,18,19)(H2,12,13,14)/t6-,7+,8+/m0/s1
Definition date:	2001-10-09
Last modified:	2011-06-04
Identifier:	2'-deoxy-5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine

3B3

3B3
Name:	(2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL
Formula:	C12 H14 N4 O3
SMILES:	[O-][N+](=O)c1ccc(NCC(O)CN)c2ncccc12
InChi:	InChI=1S/C12H14N4O3/c13-6-8(17)7-15-10-3-4-11(16(18)19)9-2-1-5-14-12(9)10/h1-5,8,15,17H,6-7,13H2/t8-/m0/s1
Definition date:	2006-03-09
Last modified:	2011-06-04
Identifier:	(2S)-1-amino-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol

3B6

3B6
Name:	(2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
Formula:	C18 H14 I N3 O3
SMILES:	N#Cc1ccc(cc1I)NC(=O)C(O)(COc2ccc(C#N)cc2)C
InChi:	InChI=1S/C18H14IN3O3/c1-18(24,11-25-15-6-2-12(9-20)3-7-15)17(23)22-14-5-4-13(10-21)16(19)8-14/h2-8,24H,11H2,1H3,(H,22,23)/t18-/m0/s1
Definition date:	2007-11-28
Last modified:	2011-06-04
Identifier:	(2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide

3BE

3BE
Name:	3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
Formula:	C14 H9 Br3 N2 O3
SMILES:	Brc1cc(c(O)c(Br)c1O)C=NNC(=O)c2cccc(Br)c2
InChi:	InChI=1S/C14H9Br3N2O3/c15-9-3-1-2-7(4-9)14(22)19-18-6-8-5-10(16)13(21)11(17)12(8)20/h1-6,20-21H,(H,19,22)/b18-6+
Definition date:	2008-07-16
Last modified:	2011-06-04
Identifier:	3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide

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)

3BM

3BM
Name:	2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide
Formula:	C16 H14 Cl F2 I N2 O4
SMILES:	Clc2cc(I)ccc2Nc1c(C(=O)NOCC(O)CO)ccc(F)c1F
InChi:	InChI=1S/C16H14ClF2IN2O4/c17-11-5-8(20)1-4-13(11)21-15-10(2-3-12(18)14(15)19)16(25)22-26-7-9(24)6-23/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1
Definition date:	2008-10-09
Last modified:	2011-06-04
Identifier:	2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide

3BP

3BP
Name:	2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE)
Formula:	C30 H36 N6 O5 S
SMILES:	O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=[N@H])N)CCC(=O)N)Cc3ccc(c2ccccc2)cc3)CC
InChi:	InChI=1S/C30H36N6O5S/c1-2-42(40,41)36-26(18-20-8-12-23(13-9-20)22-6-4-3-5-7-22)30(39)35-25(16-17-27(31)37)29(38)34-19-21-10-14-24(15-11-21)28(32)33/h3-15,25-26,36H,2,16-19H2,1H3,(H2,31,37)(H3,32,33)(H,34,38)(H,35,39)/t25-,26+/m0/s1
Definition date:	2004-11-29
Last modified:	2011-06-04
Identifier:	(2S)-2-({(2R)-3-biphenyl-4-yl-2-[(ethylsulfonyl)amino]propanoyl}amino)-N~1~-(4-carbamimidoylbenzyl)pentanediamide (non-preferred name)

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

3BZ

3BZ
Name:	3-chlorobenzoate
Formula:	C7 H5 Cl O2
SMILES:	O=C(O)c1cc(Cl)ccc1
InChi:	InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
Definition date:	2007-10-29
Last modified:	2011-06-04
Identifier:	3-chlorobenzoic acid

3C4

3C4
Name:	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID
Formula:	C8 H7 Cl O3
SMILES:	Clc1cc(ccc1O)CC(=O)O
InChi:	InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
Definition date:	2006-06-02
Last modified:	2011-06-04
Identifier:	(3-chloro-4-hydroxyphenyl)acetic acid

3CA

3CA
Name:	2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID
Formula:	C13 H8 Cl2 O3
SMILES:	Clc2cc(Cl)ccc2c1ccc(O)c(C(=O)O)c1
InChi:	InChI=1S/C13H8Cl2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
Definition date:	2005-10-04
Last modified:	2011-06-04
Identifier:	2',4'-dichloro-4-hydroxybiphenyl-3-carboxylic acid

3CC

3CC
Name:	N-[(2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl]-2-propylpentanamide
Formula:	C17 H26 N2 O3 S
SMILES:	O=S(=O)(c1ccc2c(c1)CC(NC(=O)C(CCC)CCC)C2)N
InChi:	InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)/t15-/m1/s1
Definition date:	2007-09-04
Last modified:	2011-06-04
Identifier:	2-propyl-N-[(2R)-5-sulfamoyl-2,3-dihydro-1H-inden-2-yl]pentanamide

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

RO5

RO5
Name:	N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide
Formula:	C12 H12 Br N3 O3 S2
SMILES:	Brc1sc(nc1)NC(=O)NS(=O)(=O)c2cccc(c2)CC
InChi:	InChI=1S/C12H12BrN3O3S2/c1-2-8-4-3-5-9(6-8)21(18,19)16-11(17)15-12-14-7-10(13)20-12/h3-7H,2H2,1H3,(H2,14,15,16,17)
Definition date:	2009-02-26
Last modified:	2011-06-04
Identifier:	N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide

RO6

RO6
Name:	3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Formula:	C18 H20 Cl N5 O2
SMILES:	Clc1ccccc1N3C(=O)Nc2nc(ncc2C3)NC4CCC(O)CC4
InChi:	InChI=1S/C18H20ClN5O2/c19-14-3-1-2-4-15(14)24-10-11-9-20-17(22-16(11)23-18(24)26)21-12-5-7-13(25)8-6-12/h1-4,9,12-13,25H,5-8,10H2,(H2,20,21,22,23,26)/t12-,13-
Definition date:	2009-01-13
Last modified:	2011-06-04
Identifier:	3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

3CH

3CH
Name:	3-CHLOROPHENOL
Formula:	C6 H5 Cl O
SMILES:	Clc1cc(O)ccc1
InChi:	InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
Definition date:	2002-04-18
Last modified:	2011-06-04
Identifier:	3-chlorophenol

3CP

3CP
Name:	3-CARBOXYPROPYL-COENZYME A
Formula:	C25 H42 N7 O18 P3 S
SMILES:	O=C(O)CCCSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:	InChI=1S/C25H42N7O18P3S/c1-25(2,20(37)23(38)28-6-5-15(33)27-7-9-54-8-3-4-16(34)35)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,36-37H,3-11H2,1-2H3,(H,27,33)(H,28,38)(H,34,35)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)

ROI

ROI
Name:	7,8-DIHYDRO-7,7-DIMETHYL-6-HYDROXYPTERIN
Formula:	C8 H11 N5 O2
SMILES:	O=C1C=2N=C(O)C(NC=2N=C(N1)N)(C)C
InChi:	InChI=1S/C8H11N5O2/c1-8(2)6(15)10-3-4(13-8)11-7(9)12-5(3)14/h1-2H3,(H,10,15)(H4,9,11,12,13,14)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2-amino-6-hydroxy-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one

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