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N5B

N5B
Name:	N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE
Formula:	C13 H13 N3 O
SMILES:	O=C(Nc1cc(nn1)C2CC2)c3ccccc3
InChi:	InChI=1S/C13H13N3O/c17-13(10-4-2-1-3-5-10)14-12-8-11(15-16-12)9-6-7-9/h1-5,8-9H,6-7H2,(H2,14,15,16,17)
Definition date:	2004-05-07
Last modified:	2011-06-04
Identifier:	N-(3-cyclopropyl-1H-pyrazol-5-yl)benzamide

N5C

N5C
Name:	5-nitrocytidine 5'-(tetrahydrogen triphosphate)
Formula:	C9 H15 N4 O16 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C([N+]([O-])=O)=C1)C(O)C2O
InChi:	InChI=1S/C9H15N4O16P3/c10-7-3(13(17)18)1-12(9(16)11-7)8-6(15)5(14)4(27-8)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h1,4-6,8,14-15H,2H2,(H,22,23)(H,24,25)(H2,10,11,16)(H2,19,20,21)/t4-,5-,6-,8-/m1/s1
Definition date:	2007-12-28
Last modified:	2011-06-04
Identifier:	5-nitrocytidine 5'-(tetrahydrogen triphosphate)

KPA

KPA
Name:	2-OXO-5-PHOSPHONOPENTANOIC ACID
Formula:	C5 H9 O6 P
SMILES:	O=C(C(=O)O)CCCP(=O)(O)O
InChi:	InChI=1S/C5H9O6P/c6-4(5(7)8)2-1-3-12(9,10)11/h1-3H2,(H,7,8)(H2,9,10,11)
Definition date:	2004-02-24
Last modified:	2011-06-04
Identifier:	2-oxo-5-phosphonopentanoic acid

851

851
Name:	N-{(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl}-N~2~-methyl-L-alaninamide
Formula:	C29 H36 N4 O2 S
SMILES:	O=C(NC(C(=O)N4CCCC4c1nc2c(cccc2s1)c3ccccc3)C5CCCCC5)C(NC)C
InChi:	InChI=1S/C29H36N4O2S/c1-19(30-2)27(34)31-25(21-13-7-4-8-14-21)29(35)33-18-10-16-23(33)28-32-26-22(15-9-17-24(26)36-28)20-11-5-3-6-12-20/h3,5-6,9,11-12,15,17,19,21,23,25,30H,4,7-8,10,13-14,16,18H2,1-2H3,(H,31,34)/t19-,23-,25-/m0/s1
Definition date:	2009-04-15
Last modified:	2011-06-04
Identifier:	N-{(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl}-N~2~-methyl-L-alaninamide

SGX

SGX
Name:	O-[(S)-AMINO(METHOXY)PHOSPHORYL]-L-SERINE
Formula:	C4 H11 N2 O5 P
SMILES:	O=P(OC)(OCC(N)C(=O)O)N
InChi:	InChI=1S/C4H11N2O5P/c1-10-12(6,9)11-2-3(5)4(7)8/h3H,2,5H2,1H3,(H2,6,9)(H,7,8)/t3-,12-/m0/s1
Definition date:	2007-02-13
Last modified:	2011-06-04
Identifier:	O-[(S)-amino(methoxy)phosphoryl]-L-serine

KPH

KPH
Name:	[(1R)-1,5-diaminopentyl]phosphonic acid
Formula:	C5 H15 N2 O3 P
SMILES:	O=P(O)(O)C(N)CCCCN
InChi:	InChI=1S/C5H15N2O3P/c6-4-2-1-3-5(7)11(8,9)10/h5H,1-4,6-7H2,(H2,8,9,10)/t5-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	[(1R)-1,5-diaminopentyl]phosphonic acid

855

855
Name:	2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine
Formula:	C19 H15 N5
SMILES:	n2c1c(cccc1)c(nc2c3nc(ccc3)C)Nc4ccncc4
InChi:	InChI=1S/C19H15N5/c1-13-5-4-8-17(21-13)19-23-16-7-3-2-6-15(16)18(24-19)22-14-9-11-20-12-10-14/h2-12H,1H3,(H,20,22,23,24)
Definition date:	2009-04-06
Last modified:	2011-06-04
Identifier:	2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine

QGF

QGF
Name:	N-[(2S,4S)-1-({4-[(2,4-dichlorobenzyl)oxy]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide
Formula:	C23 H29 Cl2 F N4 O5 S
SMILES:	O=S(=O)(N2CCC(OCc1ccc(Cl)cc1Cl)CC2)CC(N(O)C=O)(C)CC(c3ncc(F)cn3)C
InChi:	InChI=1S/C23H29Cl2FN4O5S/c1-16(22-27-11-19(26)12-28-22)10-23(2,30(32)15-31)14-36(33,34)29-7-5-20(6-8-29)35-13-17-3-4-18(24)9-21(17)25/h3-4,9,11-12,15-16,20,32H,5-8,10,13-14H2,1-2H3/t16-,23-/m0/s1
Definition date:	2011-01-07
Last modified:	2011-06-04
Identifier:	N-[(2S,4S)-1-({4-[(2,4-dichlorobenzyl)oxy]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide

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

SH1

SH1
Name:	N-[(2-PHENYLETHYL)SULFONYL]-D-SERYL-N-[(1S)-4-[(DIAMINOMETHYLENE)AMINO]-1-(HYDROXYMETHYL)BUTYL]-L-ALANINAMIDE
Formula:	C20 H34 N6 O6 S
SMILES:	O=C(NC(CCC/N=C(N)N)CO)C(NC(=O)C(NS(=O)(=O)CCc1ccccc1)CO)C
InChi:	InChI=1S/C20H34N6O6S/c1-14(18(29)25-16(12-27)8-5-10-23-20(21)22)24-19(30)17(13-28)26-33(31,32)11-9-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,26-28H,5,8-13H2,1H3,(H,24,30)(H,25,29)(H4,21,22,23)/t14-,16-,17+/m0/s1
Definition date:	2004-06-15
Last modified:	2011-06-04
Identifier:	N-[(2-phenylethyl)sulfonyl]-D-seryl-N-[(1S)-4-[(diaminomethylidene)amino]-1-(hydroxymethyl)butyl]-L-alaninamide

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

N5M

N5M
Name:	5-nitrocytidine 5'-(dihydrogen phosphate)
Formula:	C9 H13 N4 O10 P
SMILES:	[O-][N+](=O)C=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O)N
InChi:	InChI=1S/C9H13N4O10P/c10-7-3(13(17)18)1-12(9(16)11-7)8-6(15)5(14)4(23-8)2-22-24(19,20)21/h1,4-6,8,14-15H,2H2,(H2,10,11,16)(H2,19,20,21)/t4-,5-,6-,8-/m1/s1
Definition date:	2007-12-28
Last modified:	2011-06-04
Identifier:	5-nitrocytidine 5'-(dihydrogen phosphate)

RAI

RAI
Name:	1-(4-CARBOXY-2-GUANIDINOPENTYL)-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE
Formula:	C14 H18 N4 O5
SMILES:	O=C(O)c1cc(c(cc1)N2C(=O)CCC2(CO)CO)NC(=[N@H])N
InChi:	InChI=1S/C14H18N4O5/c15-13(16)17-9-5-8(12(22)23)1-2-10(9)18-11(21)3-4-14(18,6-19)7-20/h1-2,5,19-20H,3-4,6-7H2,(H,22,23)(H4,15,16,17)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-carbamimidamidobenzoic acid

857

857
Name:	4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
Formula:	C26 H26 Cl N5 O4
SMILES:	O=C(NC)c5nccc(Oc1cc2nc(oc2cc1)Nc4ccc(Cl)c(OCC3N(C)CCC3)c4)c5
InChi:	InChI=1S/C26H26ClN5O4/c1-28-25(33)22-14-19(9-10-29-22)35-18-6-8-23-21(13-18)31-26(36-23)30-16-5-7-20(27)24(12-16)34-15-17-4-3-11-32(17)2/h5-10,12-14,17H,3-4,11,15H2,1-2H3,(H,28,33)(H,30,31)/t17-/m0/s1
Definition date:	2007-08-09
Last modified:	2011-06-04
Identifier:	4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide

RAJ

RAJ
Name:	N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE
Formula:	C29 H29 F3 N6 O
SMILES:	FC(F)(F)c1cc(cc(c1)NC(=O)c2cc(c(cc2)C)Nc3ncccc3c4ncncc4)CCCN(C)C
InChi:	InChI=1S/C29H29F3N6O/c1-19-8-9-21(16-26(19)37-27-24(7-4-11-34-27)25-10-12-33-18-35-25)28(39)36-23-15-20(6-5-13-38(2)3)14-22(17-23)29(30,31)32/h4,7-12,14-18H,5-6,13H2,1-3H3,(H,34,37)(H,36,39)
Definition date:	2007-01-31
Last modified:	2011-06-04
Identifier:	N-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide

859

859
Name:	2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE
Formula:	C17 H15 N5 O2
SMILES:	O=C(N)c1ccccc1Nc2nc(ncc2)Nc3cc(O)ccc3
InChi:	InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)
Definition date:	2006-10-26
Last modified:	2011-06-04
Identifier:	2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide

RAL

RAL
Name:	RALOXIFENE
Formula:	C28 H27 N O4 S
SMILES:	O=C(c1c3ccc(O)cc3sc1c2ccc(O)cc2)c5ccc(OCCN4CCCCC4)cc5
InChi:	InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone

RAN

RAN
Name:	PHOSPHORIC ACID MONO-[3,4,6-TRIHYDROXY-5-(1-HYDROXY-ETHYLAMINO)-TETRAHYDRO-PYRAN-2-YLMETHYL] ESTER
Formula:	C8 H18 N O9 P
SMILES:	O=P(O)(O)OCC1OC(O)C(NC(O)C)C(O)C1O
InChi:	InChI=1S/C8H18NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h3-13H,2H2,1H3,(H2,14,15,16)/t3?,4-,5-,6-,7-,8+/m1/s1
Definition date:	1999-11-01
Last modified:	2011-06-04
Identifier:	2-deoxy-2-{[(1R)-1-hydroxyethyl]amino}-6-O-phosphono-alpha-D-glucopyranose

SHA

SHA
Name:	SALICYLHYDROXAMIC ACID
Formula:	C7 H7 N O3
SMILES:	O=C(c1ccccc1O)NO
InChi:	InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N,2-dihydroxybenzamide

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

ROK

ROK
Name:	4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE
Formula:	C9 H13 N3 O3 S2
SMILES:	O=S(=O)(c1ccc(N)cc1)NC(=O)NCCS
InChi:	InChI=1S/C9H13N3O3S2/c10-7-1-3-8(4-2-7)17(14,15)12-9(13)11-5-6-16/h1-4,16H,5-6,10H2,(H2,11,12,13)
Definition date:	2008-05-09
Last modified:	2011-06-04
Identifier:	4-amino-N-[(2-sulfanylethyl)carbamoyl]benzenesulfonamide

ROM

ROM
Name:	C-1027 AROMATIZED CHROMOPHORE
Formula:	C43 H45 Cl N3 O13
SMILES:	O=C2C(Oc1cc(OC)cc(c1N2)C(=O)OC6c8cc7C4=CC=CC4(OC3OC(C(N(C)C)C(O)C3O)(C)C)C(Oc5c(O)cc(cc5Cl)C([NH3+])CC(=O)OC6)c7cc8)=C
InChi:	InChI=1S/C43H44ClN3O13/c1-19-39(52)46-33-25(15-22(54-6)16-30(33)56-19)40(53)57-31-18-55-32(49)17-28(45)21-13-27(44)36(29(48)14-21)58-38-23-10-9-20(31)12-24(23)26-8-7-11-43(26,38)60-41-35(51)34(50)37(47(4)5)42(2,3)59-41/h7-16,28,31,34-35,37-38,41,48,50-51H,1,17-18,45H2,2-6H3,(H,46,52)/p+1/t28-,31-,34-,35+,37-,38+,41-,43+/m0/s1
Definition date:	2001-02-01
Last modified:	2011-06-04
Identifier:	(6S,11R,18aR,18bR)-21-chloro-18a-{[4,6-dideoxy-4-(dimethylamino)-5-methyl-beta-D-allopyranosyl]oxy}-3-hydroxy-11-{[(7-methoxy-2-methylidene-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-5-yl)carbonyl]oxy}-8-oxo-7,8,10,11,18a,18b-hexahydro-6H-2,5-etheno-12,15-(metheno)pentaleno[1,2-b][1,9]dioxacyclohexadecin-6-aminium

SHP

SHP
Name:	(4-HYDROXYMALTOSEPHENYL)GLYCINE
Formula:	C20 H29 N O13
SMILES:	O=C(O)C(N)c3ccc(OC2OC(C(O)C(O)C2OC1OC(CO)C(O)C(O)C1O)CO)cc3
InChi:	InChI=1S/C20H29NO13/c21-11(18(29)30)7-1-3-8(4-2-7)31-20-17(15(27)13(25)10(6-23)33-20)34-19-16(28)14(26)12(24)9(5-22)32-19/h1-4,9-17,19-20,22-28H,5-6,21H2,(H,29,30)/t9-,10-,11+,12-,13-,14+,15+,16+,17+,19-,20+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2S)-amino{4-[(2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranosyl)oxy]phenyl}ethanoic acid

RB1

RB1
Name:	3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)METHYL]PHENOL
Formula:	C16 H19 N5 O
SMILES:	n1c(c2c(nc1)n(nc2Cc3cccc(O)c3)C(C)(C)C)N
InChi:	InChI=1S/C16H19N5O/c1-16(2,3)21-15-13(14(17)18-9-19-15)12(20-21)8-10-5-4-6-11(22)7-10/h4-7,9,22H,8H2,1-3H3,(H2,17,18,19)
Definition date:	2005-11-15
Last modified:	2011-06-04
Identifier:	3-[(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenol

N6C

N6C
Name:	1-nitrohexane
Formula:	C6 H13 N O2
SMILES:	[O-][N+](=O)CCCCCC
InChi:	InChI=1S/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3
Definition date:	2008-05-30
Last modified:	2011-06-04
Identifier:	1-nitrohexane

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