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OFL
OFL
Name:O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID
Formula:C14 H10 F3 N O2
SMILES:FC(F)(F)c2ccccc2Nc1c(C(=O)O)cccc1
InChi:InChI=1S/C14H10F3NO2/c15-14(16,17)10-6-2-4-8-12(10)18-11-7-3-1-5-9(11)13(19)20/h1-8,18H,(H,19,20)
Definition date:2000-01-28
Last modified:2011-06-04
Identifier:2-{[2-(trifluoromethyl)phenyl]amino}benzoic acid
2S3
2S3
Name:(2S)-2-(1H-indol-3-yl)pentanoic acid
Formula:C13 H15 N O2
SMILES:O=C(O)C(c2c1ccccc1nc2)CCC
InChi:InChI=1S/C13H15NO2/c1-2-5-10(13(15)16)11-8-14-12-7-4-3-6-9(11)12/h3-4,6-8,10,14H,2,5H2,1H3,(H,15,16)/t10-/m0/s1
Definition date:2008-02-12
Last modified:2011-06-04
Identifier:(2S)-2-(1H-indol-3-yl)pentanoic acid
OFO
OFO
Name:HYDROXY DIIRON-OXO MOIETY
Formula:Fe2 H O2
SMILES:O[Fe]O[Fe]
InChi:InChI=1S/2Fe.H2O.O/h
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:hydroxyferriooxyiron
2S8
2S8
Name:(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid
Formula:C21 H30 N2 O4
SMILES:O=C(OC(C)(C)C)NCCCCCCC(c2c1ccccc1nc2)C(=O)O
InChi:InChI=1S/C21H30N2O4/c1-21(2,3)27-20(26)22-13-9-5-4-6-11-16(19(24)25)17-14-23-18-12-8-7-10-15(17)18/h7-8,10,12,14,16,23H,4-6,9,11,13H2,1-3H3,(H,22,26)(H,24,25)/t16-/m0/s1
Definition date:2008-02-08
Last modified:2011-06-04
Identifier:(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid
2SC
2SC
Name:(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
Formula:C19 H17 N5 O
SMILES:n1c(cc(n2ncc(c12)CO)NCc3cccnc3)c4ccccc4
InChi:InChI=1S/C19H17N5O/c25-13-16-12-22-24-18(21-11-14-5-4-8-20-10-14)9-17(23-19(16)24)15-6-2-1-3-7-15/h1-10,12,21,25H,11,13H2
Definition date:2007-09-20
Last modified:2011-06-04
Identifier:{5-phenyl-7-[(pyridin-3-ylmethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl}methanol
2SK
2SK
Name:(1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL
Formula:C13 H19 N O3 S
SMILES:OC2C(O)C(NCc1ccccc1)C(SC)C2O
InChi:InChI=1S/C13H19NO3S/c1-18-13-9(10(15)11(16)12(13)17)14-7-8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10+,11+,12+,13+/m0/s1
Definition date:2006-01-24
Last modified:2011-06-04
Identifier:(1R,2R,3R,4S,5R)-4-(benzylamino)-5-(methylsulfanyl)cyclopentane-1,2,3-triol
2SM
2SM
Name:methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
Formula:C14 H14 N4 O5 S
SMILES:O=C(Nc1nc(ccn1)C)NS(=O)(=O)c2ccccc2C(=O)OC
InChi:InChI=1S/C14H14N4O5S/c1-9-7-8-15-13(16-9)17-14(20)18-24(21,22)11-6-4-3-5-10(11)12(19)23-2/h3-8H,1-2H3,(H2,15,16,17,18,20)
Definition date:2008-10-06
Last modified:2011-06-04
Identifier:methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
OGA
OGA
Name:N-OXALYLGLYCINE
Formula:C4 H5 N O5
SMILES:O=C(O)C(=O)NCC(=O)O
InChi:InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
Definition date:2002-08-12
Last modified:2011-06-04
Identifier:N-(carboxycarbonyl)glycine
2ST
2ST
Name:5-METHYL-2'-SE-METHYL-2'-SELENOURIDINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:C11 H17 N2 O8 P Se
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(O)C2[Se]C)COP(=O)(O)O
InChi:InChI=1S/C11H17N2O8PSe/c1-5-3-13(11(16)12-9(5)15)10-8(23-2)7(14)6(21-10)4-20-22(17,18)19/h3,6-8,10,14H,4H2,1-2H3,(H,12,15,16)(H2,17,18,19)/t6-,7-,8-,10-/m1/s1
Definition date:2006-06-16
Last modified:2011-06-04
Identifier:5-methyl-2'-Se-methyl-2'-selenouridine 5'-(dihydrogen phosphate)
OGG
OGG
Name:2-(2-CARBAMOYLMETHOXY-ETHOXY)-ACETAMIDE
Formula:C6 H12 N2 O4
SMILES:O=C(N)COCCOCC(=O)N
InChi:InChI=1S/C6H12N2O4/c7-5(9)3-11-1-2-12-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
Definition date:2004-02-02
Last modified:2011-06-04
Identifier:2,2'-[ethane-1,2-diylbis(oxy)]diacetamide
2T0
2T0
Name:2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate
Formula:C11 H11 N2 O4 P S
SMILES:O=P(O)(O)Oc3ccc2c(c1nc(sc1CC2)N)c3
InChi:InChI=1S/C11H11N2O4PS/c12-11-13-10-8-5-7(17-18(14,15)16)3-1-6(8)2-4-9(10)19-11/h1,3,5H,2,4H2,(H2,12,13)(H2,14,15,16)
Definition date:2009-05-11
Last modified:2011-06-04
Identifier:2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate
2T1
2T1
Name:2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid
Formula:C20 H19 F3 N2 O3
SMILES:O=C(Nc1ccccc1C(=O)O)N3CCC(c2ccccc2C(F)(F)F)CC3
InChi:InChI=1S/C20H19F3N2O3/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(28)24-17-8-4-2-6-15(17)18(26)27/h1-8,13H,9-12H2,(H,24,28)(H,26,27)
Definition date:2009-01-05
Last modified:2011-06-04
Identifier:2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid
2T3
2T3
Name:(2R,3R)-4-ANILINO-2,3-DIHYDROXY-4-OXOBUTANOIC ACID
Formula:C10 H11 N O5
SMILES:O=C(Nc1ccccc1)C(O)C(O)C(=O)O
InChi:InChI=1S/C10H11NO5/c12-7(8(13)10(15)16)9(14)11-6-4-2-1-3-5-6/h1-5,7-8,12-13H,(H,11,14)(H,15,16)/t7-,8-/m1/s1
Definition date:2007-03-14
Last modified:2011-06-04
Identifier:(2R,3R)-2,3-dihydroxy-4-oxo-4-(phenylamino)butanoic acid
2T4
2T4
Name:{[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
Formula:C11 H11 N2 O4 P S
SMILES:O=P(O)(O)COc1c2c(ccc1)Cc3sc(nc23)N
InChi:InChI=1S/C11H11N2O4PS/c12-11-13-10-8(19-11)4-6-2-1-3-7(9(6)10)17-5-18(14,15)16/h1-3H,4-5H2,(H2,12,13)(H2,14,15,16)
Definition date:2009-10-22
Last modified:2011-06-04
Identifier:{[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
2T5
2T5
Name:[(8H-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid
Formula:C11 H10 N O4 P S
SMILES:O=P(O)(O)COc1c2c(ccc1)Cc3scnc23
InChi:InChI=1S/C11H10NO4PS/c13-17(14,15)6-16-8-3-1-2-7-4-9-11(10(7)8)12-5-18-9/h1-3,5H,4,6H2,(H2,13,14,15)
Definition date:2009-10-22
Last modified:2011-06-04
Identifier:[(8H-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid
2T6
2T6
Name:{[(7-carbamoyl-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
Formula:C12 H11 N2 O5 P S
SMILES:O=P(O)(O)COc1c2c(c(C(=O)N)cc1)Cc3scnc23
InChi:InChI=1S/C12H11N2O5PS/c13-12(15)6-1-2-8(19-5-20(16,17)18)10-7(6)3-9-11(10)14-4-21-9/h1-2,4H,3,5H2,(H2,13,15)(H2,16,17,18)
Definition date:2009-10-22
Last modified:2011-06-04
Identifier:{[(7-carbamoyl-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
2TB
2TB
Name:1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANE
Formula:C6 H16 N2 O3
SMILES:OC1C([NH3+])CC(C(O)C1O)[NH3+]
InChi:InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/p+2/t2-,3+,4+,5-,6-
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(1R,3S,4R,5r,6S)-4,5,6-trihydroxycyclohexane-1,3-diaminium
2TH
2TH
Name:2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN-2-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE
Formula:C16 H13 Cl N2 O2 S
SMILES:Clc2sc1nc(cc1c2)C(=O)NC4Cc3ccccc3C4O
InChi:InChI=1S/C16H13ClN2O2S/c17-13-7-9-6-12(19-16(9)22-13)15(21)18-11-5-8-3-1-2-4-10(8)14(11)20/h1-4,6-7,11,14,19-20H,5H2,(H,18,21)/t11-,14-/m1/s1
Definition date:2006-04-07
Last modified:2011-06-04
Identifier:2-chloro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
OHA
OHA
Name:10-oxohexadecanoic acid
Formula:C16 H30 O3
SMILES:O=C(CCCCCC)CCCCCCCCC(=O)O
InChi:InChI=1S/C16H30O3/c1-2-3-4-9-12-15(17)13-10-7-5-6-8-11-14-16(18)19/h2-14H2,1H3,(H,18,19)
Definition date:2007-07-10
Last modified:2011-06-04
Identifier:10-oxohexadecanoic acid
2TP
2TP
Name:2-(3-{[4-(HYDROXYAMINO)-2-METHYLPYRIMIDIN-5-YL]METHYL}-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL)ETHYL TRIHYDROGEN DIPHOSPHATE
Formula:C12 H19 N4 O8 P2 S
SMILES:O=P(O)(O)OP(=O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)NO
InChi:InChI=1S/C12H18N4O8P2S/c1-8-11(3-4-23-26(21,22)24-25(18,19)20)27-7-16(8)6-10-5-13-9(2)14-12(10)15-17/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21,22)/p+1
Definition date:2005-10-12
Last modified:2011-06-04
Identifier:3-{[4-(hydroxyamino)-2-methylpyrimidin-5-yl]methyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
OHH
OHH
Name:2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID
Formula:C40 H35 N2 O6 P
SMILES:O=C(c2cc1ccccc1cc2)N7CCC(N(C(=O)c6cc3ccccc3cc6C(=O)C(c5c4ccccc4ccc5)P(=O)(O)O)C)CC7
InChi:InChI=1S/C40H35N2O6P/c1-41(32-19-21-42(22-20-32)39(44)31-18-17-26-9-2-3-11-28(26)23-31)40(45)36-25-30-13-5-4-12-29(30)24-35(36)37(43)38(49(46,47)48)34-16-8-14-27-10-6-7-15-33(27)34/h2-18,23-25,32,38H,19-22H2,1H3,(H2,46,47,48)/t38-/m1/s1
Definition date:2004-05-06
Last modified:2011-06-04
Identifier:[(1R)-2-(3-{methyl[1-(naphthalen-2-ylcarbonyl)piperidin-4-yl]carbamoyl}naphthalen-2-yl)-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
OHM
OHM
Name:3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE
Formula:C16 H28 N2 O3
SMILES:O=C1NCCC1NC(=O)CC(=O)CCCCCCCCC
InChi:InChI=1S/C16H28N2O3/c1-2-3-4-5-6-7-8-9-13(19)12-15(20)18-14-10-11-17-16(14)21/h14H,2-12H2,1H3,(H,17,21)(H,18,20)/t14-/m0/s1
Definition date:2006-11-10
Last modified:2011-06-04
Identifier:3-oxo-N-[(3S)-2-oxopyrrolidin-3-yl]dodecanamide
OHN
OHN
Name:N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE
Formula:C16 H27 N O4
SMILES:O=C1OCCC1NC(=O)CC(=O)CCCCCCCCC
InChi:InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
Definition date:2007-03-08
Last modified:2011-06-04
Identifier:3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]dodecanamide
OHP
OHP
Name:(2-HYDROXYPHENYL)ACETIC ACID
Formula:C8 H8 O3
SMILES:O=C(O)Cc1ccccc1O
InChi:InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
Definition date:2006-10-10
Last modified:2011-06-04
Identifier:(2-hydroxyphenyl)acetic acid
OHT
OHT
Name:4-HYDROXYTAMOXIFEN
Formula:C26 H29 N O2
SMILES:O(c1ccc(cc1)/C(c2ccc(O)cc2)=C(c3ccccc3)CC)CCN(C)C
InChi:InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol

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