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10C

10C
Name:	4-AMINO-1-{2,5-ANHYDRO-4-[(PHOSPHONOOXY)METHYL]-ALPHA-L-LYXOFURANOSYL}PYRIMIDIN-2(1H)-ONE
Formula:	C10 H14 N3 O8 P
SMILES:	O=C1N=C(N)C=CN1C3OC2(C(O)C3OC2)COP(=O)(O)O
InChi:	InChI=1S/C10H14N3O8P/c11-5-1-2-13(9(15)12-5)8-6-7(14)10(21-8,3-19-6)4-20-22(16,17)18/h1-2,6-8,14H,3-4H2,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8-,10-/m1/s1
Definition date:	2007-02-15
Last modified:	2011-06-04
Identifier:	4-amino-1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}pyrimidin-2(1H)-one

10F

10F
Name:	N-({4-[{[(2R,4S,4aR,6S,8aS)-2-amino-4-hydroxydecahydropteridin-6-yl]methyl}(formyl)amino]phenyl}carbonyl)-D-glutamic acid
Formula:	C20 H29 N7 O7
SMILES:	O=C(O)C(NC(=O)c1ccc(cc1)N(C=O)CC2NC3C(NC2)NC(N)NC3O)CCC(=O)O
InChi:	InChI=1S/C20H29N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,11,13,15-16,18,20,22-23,25-26,32H,5-8,21H2,(H,24,31)(H,29,30)(H,33,34)/t11-,13+,15+,16-,18-,20+/m0/s1
Definition date:	2009-07-02
Last modified:	2011-06-04
Identifier:	N-({4-[{[(2R,4S,4aR,6S,8aS)-2-amino-4-hydroxydecahydropteridin-6-yl]methyl}(formyl)amino]phenyl}carbonyl)-D-glutamic acid

L3L

L3L
Name:	3-oxo-2-piperidin-4-yl-2,3-dihydro-1H-isoindole-4-carboxamide
Formula:	C14 H17 N3 O2
SMILES:	NC(=O)c1cccc2CN(C3CCNCC3)C(=O)c12
InChi:	InChI=1S/C14H17N3O2/c15-13(18)11-3-1-2-9-8-17(14(19)12(9)11)10-4-6-16-7-5-10/h1-3,10,16H,4-8H2,(H2,15,18)
Definition date:	2010-01-21
Last modified:	2011-06-04
Identifier:	3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxamide

112

112
Name:	THIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
Formula:	C12 H19 N6 O13 P3 S
SMILES:	O=P(O)(SCC(=O)N)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C12H19N6O13P3S/c13-6(19)2-35-34(26,27)31-33(24,25)30-32(22,23)28-1-5-8(20)9(21)12(29-5)18-4-17-7-10(14)15-3-16-11(7)18/h3-5,8-9,12,20-21H,1-2H2,(H2,13,19)(H,22,23)(H,24,25)(H,26,27)(H2,14,15,16)/t5-,8-,9-,12-/m1/s1
Definition date:	2000-12-04
Last modified:	2011-06-04
Identifier:	5'-O-[(S)-{[(S)-{[(R)-[(2-amino-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine

11B

11B
Name:	(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-3-OXO-5-PENTYL-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE
Formula:	C23 H31 N4 O7 P
SMILES:	O=C(OCc1ccccc1)NC(CCCCC)P(=O)(O)OC(c2cc(NC(=[N@H])N)ccc2)C(=O)O
InChi:	InChI=1S/C23H31N4O7P/c1-2-3-5-13-19(27-23(30)33-15-16-9-6-4-7-10-16)35(31,32)34-20(21(28)29)17-11-8-12-18(14-17)26-22(24)25/h4,6-12,14,19-20H,2-3,5,13,15H2,1H3,(H,27,30)(H,28,29)(H,31,32)(H4,24,25,26)/t19-,20+/m1/s1
Definition date:	2007-04-20
Last modified:	2011-06-04
Identifier:	(5R,6S,8S)-8-(3-carbamimidamidophenyl)-6-hydroxy-3-oxo-5-pentyl-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide

L47

L47
Name:	3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL
Formula:	C17 H15 Cl N2 O2
SMILES:	O=C(N3N=C(c1ccccc1Cl)CC3c2cc(O)ccc2)C
InChi:	InChI=1S/C17H15ClN2O2/c1-11(21)20-17(12-5-4-6-13(22)9-12)10-16(19-20)14-7-2-3-8-15(14)18/h2-9,17,22H,10H2,1H3/t17-/m0/s1
Definition date:	2005-03-07
Last modified:	2011-06-04
Identifier:	3-[(5S)-1-acetyl-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol

11J

11J
Name:	N-biphenyl-3-yl-2-iodobenzamide
Formula:	C19 H14 I N O
SMILES:	Ic1ccccc1C(=O)Nc2cccc(c2)c3ccccc3
InChi:	InChI=1S/C19H14INO/c20-18-12-5-4-11-17(18)19(22)21-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13H,(H,21,22)
Definition date:	2010-02-23
Last modified:	2011-06-04
Identifier:	2-iodo-N-(3-phenylphenyl)benzamide

11M

11M
Name:	1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine
Formula:	C23 H24 N2 O2 S2
SMILES:	O=C(c1sc(SC)c2ccccc12)N5CCC3(c4cc(ccc4OC3)CN)CC5
InChi:	InChI=1S/C23H24N2O2S2/c1-28-22-17-5-3-2-4-16(17)20(29-22)21(26)25-10-8-23(9-11-25)14-27-19-7-6-15(13-24)12-18(19)23/h2-7,12H,8-11,13-14,24H2,1H3
Definition date:	2008-01-10
Last modified:	2011-06-04
Identifier:	1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine

11N

11N
Name:	1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine
Formula:	C22 H24 N2 O2
SMILES:	O=C(N3CCC1(c2c(OC1)ccc(c2)CN)CC3)C=Cc4ccccc4
InChi:	InChI=1S/C22H24N2O2/c23-15-18-6-8-20-19(14-18)22(16-26-20)10-12-24(13-11-22)21(25)9-7-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16,23H2/b9-7+
Definition date:	2008-01-10
Last modified:	2011-06-04
Identifier:	1-{1'-[(2E)-3-phenylprop-2-enoyl]spiro[1-benzofuran-3,4'-piperidin]-5-yl}methanamine

302

302
Name:	4-[(1E,7E)-8-(2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL)-3,6-DIOXA-2,7-DIAZAOCTA-1,7-DIEN-1-YL]BENZOIC ACID
Formula:	C15 H14 N4 O6
SMILES:	O=C2NC(C=NOCCON=Cc1ccc(C(=O)O)cc1)=CC(=O)N2
InChi:	InChI=1S/C15H14N4O6/c20-13-7-12(18-15(23)19-13)9-17-25-6-5-24-16-8-10-1-3-11(4-2-10)14(21)22/h1-4,7-9H,5-6H2,(H,21,22)(H2,18,19,20,23)/b16-8+,17-9+
Definition date:	2006-08-04
Last modified:	2011-06-04
Identifier:	4-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid

304

304
Name:	N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide
Formula:	C17 H22 N4 O2 S
SMILES:	O=C(NC)c1cc(c(cc1)C)NC(=O)c2sc(nc2)NC(CC)C
InChi:	InChI=1S/C17H22N4O2S/c1-5-11(3)20-17-19-9-14(24-17)16(23)21-13-8-12(15(22)18-4)7-6-10(13)2/h6-9,11H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t11-/m1/s1
Definition date:	2008-02-01
Last modified:	2011-06-04
Identifier:	N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide

11S

11S
Name:	5-chloro-1H-indole
Formula:	C8 H6 Cl N
SMILES:	Clc1cc2c(cc1)ncc2
InChi:	InChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
Definition date:	2009-01-20
Last modified:	2011-06-04
Identifier:	5-chloro-1H-indole

30B

30B
Name:	(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
Formula:	C38 H47 N5 O7 S2
SMILES:	COc1ccc2c(O[CH]3C[CH]4[CH](C3)C(=O)N(C)CCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6CC6)cc(nc2c1C)c7scc(n7)C(C)C
InChi:	InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1
Definition date:	2009-11-06
Last modified:	2011-06-04

120

120
Name:	2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
Formula:	C13 H12 N5 O
SMILES:	O=C3NC=CC=C3c2nc1cc(ccc1n2)C(=[NH2+])N
InChi:	InChI=1S/C13H11N5O/c14-11(15)7-3-4-9-10(6-7)18-12(17-9)8-2-1-5-16-13(8)19/h1-6H,(H3,14,15)(H,16,19)(H,17,18)/p+1
Definition date:	2001-01-25
Last modified:	2011-06-04
Identifier:	amino[2-(2-oxo-1,2-dihydropyridin-3-yl)-1H-benzimidazol-5-yl]methaniminium

121

121
Name:	2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
Formula:	C13 H12 N5 O
SMILES:	Oc3cccnc3c2nc1cc(ccc1n2)C(=[NH2+])N
InChi:	InChI=1S/C13H11N5O/c14-12(15)7-3-4-8-9(6-7)18-13(17-8)11-10(19)2-1-5-16-11/h1-6,19H,(H3,14,15)(H,17,18)/p+1
Definition date:	2001-01-25
Last modified:	2011-06-04
Identifier:	amino[2-(3-hydroxypyridin-2-yl)-1H-benzimidazol-5-yl]methaniminium

122

122
Name:	2-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
Formula:	C14 H13 N4 O
SMILES:	Oc3ccccc3c2nc1ccc(cc1n2)C(=[NH2+])N
InChi:	InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1
Definition date:	2001-01-29
Last modified:	2011-06-04
Identifier:	amino[2-(2-hydroxyphenyl)-1H-benzimidazol-6-yl]methaniminium

124

124
Name:	2-(2-HYDROXY-PHENYL)-1H-INDOLE-5-CARBOXAMIDINE
Formula:	C15 H14 N3 O
SMILES:	Oc3ccccc3c2cc1cc(ccc1n2)C(=[NH2+])N
InChi:	InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)/p+1
Definition date:	2001-01-31
Last modified:	2011-06-04
Identifier:	amino[2-(2-hydroxyphenyl)-1H-indol-5-yl]methaniminium

125

125
Name:	2'-O-FLUOROETHYL-5-METHYL-URIDINE-5'-MONOPHOSPHATE
Formula:	C12 H18 F N2 O9 P
SMILES:	O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCF)COP(=O)(O)O
InChi:	InChI=1S/C12H18FN2O9P/c1-6-4-15(12(18)14-10(6)17)11-9(22-3-2-13)8(16)7(24-11)5-23-25(19,20)21/h4,7-9,11,16H,2-3,5H2,1H3,(H,14,17,18)(H2,19,20,21)/t7-,8-,9-,11-/m1/s1
Definition date:	2001-02-09
Last modified:	2011-06-04
Identifier:	2'-O-(2-fluoroethyl)-5-methyluridine 5'-(dihydrogen phosphate)

126

126
Name:	2'-O-METHYL-[TRI(OXYETHYL)]-5-METHYL-URIDINE-5'-MONOPHOSPHATE
Formula:	C17 H29 N2 O12 P
SMILES:	O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCOCCOCCOC)COP(=O)(O)O
InChi:	InChI=1S/C17H29N2O12P/c1-11-9-19(17(22)18-15(11)21)16-14(13(20)12(31-16)10-30-32(23,24)25)29-8-7-28-6-5-27-4-3-26-2/h9,12-14,16,20H,3-8,10H2,1-2H3,(H,18,21,22)(H2,23,24,25)/t12-,13-,14-,16-/m1/s1
Definition date:	2001-02-09
Last modified:	2011-06-04
Identifier:	2'-O-{2-[2-(2-methoxyethoxy)ethoxy]ethyl}-5-methyluridine 5'-(dihydrogen phosphate)

127

127
Name:	2'-O-AMINOOXY-ETHYL-5-METHYL-URIDINE-5'-MONOPHOSPHATE
Formula:	C12 H20 N3 O10 P
SMILES:	O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCON)COP(=O)(O)O
InChi:	InChI=1S/C12H20N3O10P/c1-6-4-15(12(18)14-10(6)17)11-9(22-2-3-23-13)8(16)7(25-11)5-24-26(19,20)21/h4,7-9,11,16H,2-3,5,13H2,1H3,(H,14,17,18)(H2,19,20,21)/t7-,8-,9-,11-/m1/s1
Definition date:	2001-02-09
Last modified:	2011-06-04
Identifier:	2'-O-[2-(aminooxy)ethyl]-5-methyluridine 5'-(dihydrogen phosphate)

129

129
Name:	[2(FORMYL-HYDROXY-AMINO)-ETHYL]-PHOSPHONIC ACID
Formula:	C3 H8 N O5 P
SMILES:	O=P(O)(O)CCN(O)C=O
InChi:	InChI=1S/C3H8NO5P/c5-3-4(6)1-2-10(7,8)9/h3,6H,1-2H2,(H2,7,8,9)
Definition date:	2001-04-24
Last modified:	2011-06-04
Identifier:	{2-[formyl(hydroxy)amino]ethyl}phosphonic acid

12A

12A
Name:	2-METHYLTHIO-N6-(AMINOCARBONYL-L-THREONYL)-ADENOSINE-5'-MONOPHOSPHATE
Formula:	C16 H23 N6 O11 P S
SMILES:	O=C(O)C(NC(=O)Nc3nc(SC)nc1c3ncn1C2OC(C(O)C2O)COP(=O)(O)O)C(O)C
InChi:	InChI=1S/C16H23N6O11PS/c1-5(23)7(14(26)27)18-15(28)19-11-8-12(21-16(20-11)35-2)22(4-17-8)13-10(25)9(24)6(33-13)3-32-34(29,30)31/h4-7,9-10,13,23-25H,3H2,1-2H3,(H,26,27)(H2,29,30,31)(H2,18,19,20,21,28)/t5-,6-,7+,9-,10-,13-/m1/s1
Definition date:	2000-08-09
Last modified:	2011-06-04
Identifier:	(2S,3R)-2-({[9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2-(methylsulfanyl)-9H-purin-6-yl]carbamoyl}amino)-3-hydroxybutanoic acid (non-preferred name)

12B

12B
Name:	BENZO[CD]INDOL-2(1H)-ONE
Formula:	C11 H7 N O
SMILES:	O=C3c2cccc1cccc(c12)N3
InChi:	InChI=1S/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13)
Definition date:	2005-11-30
Last modified:	2011-06-04
Identifier:	benzo[cd]indol-2(1H)-one

12C

12C
Name:	4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE
Formula:	C23 H22 Cl N5 O
SMILES:	Clc1ccc6c(c1)C(NC3C2CCN(CC2)C3)=C(c4nc5ccccc5n4)C(=O)N6
InChi:	InChI=1S/C23H22ClN5O/c24-14-5-6-16-15(11-14)21(25-19-12-29-9-7-13(19)8-10-29)20(23(30)28-16)22-26-17-3-1-2-4-18(17)27-22/h1-6,11,13,19H,7-10,12H2,(H,26,27)(H2,25,28,30)/t19-/m1/s1
Definition date:	2006-03-27
Last modified:	2011-06-04
Identifier:	4-[(3S)-1-azabicyclo[2.2.2]oct-3-ylamino]-3-(1H-benzimidazol-2-yl)-6-chloroquinolin-2(1H)-one

12D

12D
Name:	2',3'-O-[(1R,6R)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate)
Formula:	C16 H16 N8 O16 P2
SMILES:	[O-][N+](=O)C5=CC([N+]([O-])=O)=CC([N+]([O-])=O)C35OC4C(OC(n1c2ncnc(N)c2nc1)C4O3)COP(=O)(O)OP(=O)(O)O
InChi:	InChI=1S/C16H16N8O16P2/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(37-15)3-36-42(34,35)40-41(31,32)33)38-16(39-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7-8,11-12,15H,3H2,(H,34,35)(H2,17,18,19)(H2,31,32,33)/t7-,8-,11-,12-,15-,16-/m1/s1
Definition date:	2007-11-01
Last modified:	2011-06-04
Identifier:	2',3'-O-[(1R,6R)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate)

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