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PMA

PMA
Name:	PYROMELLITIC ACID
Formula:	C10 H6 O8
SMILES:	O=C(O)c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O
InChi:	InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	benzene-1,2,4,5-tetracarboxylic acid

635

635
Name:	1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
Formula:	C32 H38 F N3 O5
SMILES:	CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c3cc(F)ccc23)C(=O)c4ccc(OCCCN5CCOCC5)cc4
InChi:	InChI=1S/C32H38FN3O5/c1-21(2)41-31(38)26-19-36(20-32(3,4)28-25-11-8-23(33)18-27(25)34-29(26)28)30(37)22-6-9-24(10-7-22)40-15-5-12-35-13-16-39-17-14-35/h6-11,18-19,21,34H,5,12-17,20H2,1-4H3
Definition date:	2009-12-17
Last modified:	2011-06-04
Identifier:	propan-2-yl 8-fluoro-1,1-dimethyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

PMC

PMC
Name:	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID
Formula:	C7 H8 N O5 P
SMILES:	O=C(O)c1ncccc1CP(=O)(O)O
InChi:	InChI=1S/C7H8NO5P/c9-7(10)6-5(2-1-3-8-6)4-14(11,12)13/h1-3H,4H2,(H,9,10)(H2,11,12,13)
Definition date:	2001-02-21
Last modified:	2011-06-04
Identifier:	3-(phosphonomethyl)pyridine-2-carboxylic acid

PMD

PMD
Name:	[N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE
Formula:	C21 H17 N7
SMILES:	n1cc(nc2c1nc(nc2N)N)CN5c3ccccc3C=Cc4c5cccc4
InChi:	InChI=1S/C21H17N7/c22-19-18-20(27-21(23)26-19)24-11-15(25-18)12-28-16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)28/h1-11H,12H2,(H4,22,23,24,26,27)
Definition date:	2002-01-08
Last modified:	2011-06-04
Identifier:	6-(5H-dibenzo[b,f]azepin-5-ylmethyl)pteridine-2,4-diamine

637

637
Name:	N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
Formula:	C26 H24 F N5 O6
SMILES:	Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/C5OC(n4cnc3c(ncnc34)C)C(O)C5O
InChi:	InChI=1S/C26H24FN5O6/c1-13-20-24(30-11-29-13)32(12-31-20)26-23(36)22(35)19(38-26)3-2-8-28-25(37)17-9-15(10-18(33)21(17)34)14-4-6-16(27)7-5-14/h2-7,9-12,19,22-23,26,33-36H,8H2,1H3,(H,28,37)/b3-2+/t19-,22-,23-,26-/m1/s1
Definition date:	2010-07-23
Last modified:	2011-06-04
Identifier:	6-methyl-9-[(5E)-5,6,7-trideoxy-7-{[(4'-fluoro-4,5-dihydroxybiphenyl-3-yl)carbonyl]amino}-beta-D-ribo-hept-5-enofuranosyl]-9H-purine

PML

PML
Name:	PIMELIC ACID
Formula:	C7 H12 O4
SMILES:	O=C(O)CCCCCC(=O)O
InChi:	InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)
Definition date:	2001-12-03
Last modified:	2011-06-04
Identifier:	heptanedioic acid

63F

63F
Name:	N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide
Formula:	C28 H26 F6 N6 O6 S
SMILES:	O=S(=O)(c1ccc(OC(F)(F)F)cc1)N5C(C(=O)NCc2ccc(OC(F)(F)F)cc2)CN(c4nnc(C(=O)NC3CC3)cc4)CC5
InChi:	InChI=1S/C28H26F6N6O6S/c29-27(30,31)45-19-5-1-17(2-6-19)15-35-26(42)23-16-39(24-12-11-22(37-38-24)25(41)36-18-3-4-18)13-14-40(23)47(43,44)21-9-7-20(8-10-21)46-28(32,33)34/h1-2,5-12,18,23H,3-4,13-16H2,(H,35,42)(H,36,41)/t23-/m1/s1
Definition date:	2011-02-12
Last modified:	2011-06-04
Identifier:	N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide

63G

63G
Name:	(6S)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
Formula:	C13 H18 N5 O8 P
SMILES:	O=C2c3ncn(c3N=C1NC(O)CCN12)C4OC(C(O)C4)COP(=O)(O)O
InChi:	InChI=1S/C13H18N5O8P/c19-6-3-9(26-7(6)4-25-27(22,23)24)18-5-14-10-11(18)16-13-15-8(20)1-2-17(13)12(10)21/h5-9,19-20H,1-4H2,(H,15,16)(H2,22,23,24)/t6-,7+,8-,9+/m0/s1
Definition date:	2009-01-08
Last modified:	2011-06-04
Identifier:	(6S)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one

63H

63H
Name:	(6R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
Formula:	C13 H18 N5 O8 P
SMILES:	O=C2c3ncn(c3N=C1NC(O)CCN12)C4OC(C(O)C4)COP(=O)(O)O
InChi:	InChI=1S/C13H18N5O8P/c19-6-3-9(26-7(6)4-25-27(22,23)24)18-5-14-10-11(18)16-13-15-8(20)1-2-17(13)12(10)21/h5-9,19-20H,1-4H2,(H,15,16)(H2,22,23,24)/t6-,7+,8+,9+/m0/s1
Definition date:	2009-04-15
Last modified:	2011-06-04
Identifier:	(6R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one

PMS

PMS
Name:	phenylmethanesulfonic acid
Formula:	C7 H8 O3 S
SMILES:	O=S(=O)(O)Cc1ccccc1
InChi:	InChI=1S/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10)
Definition date:	2009-08-24
Last modified:	2011-06-04
Identifier:	phenylmethanesulfonic acid

PN1

PN1
Name:	(2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
Formula:	C16 H19 N3 O4 S
SMILES:	O=C(O)C2N3C(=O)C(NC(=O)C(c1ccccc1)N)C3SC2(C)C
InChi:	InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10+,11-,14+/m0/s1
Definition date:	2003-09-09
Last modified:	2011-06-04
Identifier:	(2S,5R,6R)-6-{[(2S)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

PN3

PN3
Name:	tert-butyl {(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl}carbamate
Formula:	C15 H22 N2 O4
SMILES:	O=CN(O)CC(NC(=O)OC(C)(C)C)Cc1ccccc1
InChi:	InChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-13(10-17(20)11-18)9-12-7-5-4-6-8-12/h4-8,11,13,20H,9-10H2,1-3H3,(H,16,19)/t13-/m0/s1
Definition date:	2010-11-23
Last modified:	2011-06-04
Identifier:	tert-butyl {(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl}carbamate

641

641
Name:	(3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE
Formula:	C17 H20 Cl2 N2 O2
SMILES:	Clc1cc(cc(Cl)c1)NC(=O)C3CC(=O)N(C2CCCCC2)C3
InChi:	InChI=1S/C17H20Cl2N2O2/c18-12-7-13(19)9-14(8-12)20-17(23)11-6-16(22)21(10-11)15-4-2-1-3-5-15/h7-9,11,15H,1-6,10H2,(H,20,23)/t11-/m0/s1
Definition date:	2006-06-14
Last modified:	2011-06-04
Identifier:	(3S)-1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide

642

642
Name:	(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid
Formula:	C29 H24 N2 O4
SMILES:	O=C5NC(c4ccc(OCc2c3ccccc3nc(c1ccccc1)c2)cc4)CC56C(C(=O)O)C6
InChi:	InChI=1S/C29H24N2O4/c32-27(33)23-15-29(23)16-26(31-28(29)34)19-10-12-21(13-11-19)35-17-20-14-25(18-6-2-1-3-7-18)30-24-9-5-4-8-22(20)24/h1-14,23,26H,15-17H2,(H,31,34)(H,32,33)/t23-,26+,29-/m1/s1
Definition date:	2008-10-27
Last modified:	2011-06-04
Identifier:	(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid

PND

PND
Name:	P-NITROPHENYLHYDRAZINE
Formula:	C6 H7 N3 O2
SMILES:	[O-][N+](=O)c1ccc(NN)cc1
InChi:	InChI=1S/C6H7N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,7H2
Definition date:	2001-07-27
Last modified:	2011-06-04
Identifier:	(4-nitrophenyl)hydrazine

PNH

PNH
Name:	pentan-2-one
Formula:	C5 H10 O
SMILES:	O=C(C)CCC
InChi:	InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
Definition date:	2007-11-30
Last modified:	2011-06-04
Identifier:	pentan-2-one

PNQ

PNQ
Name:	P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE
Formula:	C8 H11 Be F3 N2 O9 P2
SMILES:	O[P](=O)(OCCNc1ccc(cc1)[N+]([O-])=O)O[P](O)(=O)O[Be](F)(F)F
InChi:	InChI=1S/C8H12N2O9P2.Be.3FH/c11-10(12)8-3-1-7(2-4-8)9-5-6-18-21(16,17)19-20(13,14)15
Definition date:	1999-09-22
Last modified:	2011-06-04
Identifier:	trifluoro-[hydroxy-[hydroxy-[2-[(4-nitrophenyl)amino]ethoxy]phosphoryl]oxy-phosphoryl]oxy-beryllium

64T

64T
Name:	5-HYDROXY-THYMIDINE-5'-MONOPHOSPHATE
Formula:	C10 H17 N2 O9 P
SMILES:	O=C1N(CC(O)(C(=O)N1)C)C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C10H17N2O9P/c1-10(16)4-12(9(15)11-8(10)14)7-2-5(13)6(21-7)3-20-22(17,18)19/h5-7,13,16H,2-4H2,1H3,(H,11,14,15)(H2,17,18,19)/t5-,6+,7+,10+/m0/s1
Definition date:	2001-11-27
Last modified:	2011-06-04
Identifier:	5-hydroxythymidine 5'-(dihydrogen phosphate)

PNZ

PNZ
Name:	P-NITRO-BENZYLAMINE
Formula:	C7 H8 N2 O2
SMILES:	[O-][N+](=O)c1ccc(cc1)CN
InChi:	InChI=1S/C7H8N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5,8H2
Definition date:	2005-11-17
Last modified:	2011-06-04
Identifier:	1-(4-nitrophenyl)methanamine

651

651
Name:	(3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol
Formula:	C19 H21 N O
SMILES:	O[C]1(CN2CCC1CC2)c3ccc(cc3)c4ccccc4
InChi:	InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2/t19-/m0/s1
Definition date:	2010-01-29
Last modified:	2011-06-04
Identifier:	(3R)-3-(4-phenylphenyl)-1-azabicyclo[2.2.2]octan-3-ol

POB

POB
Name:	2-[(1-AMINO-ETHYL)-PHOSPHATE-PHOSPHINOYLOXY]-BUTYRIC ACID
Formula:	C6 H15 N O8 P2
SMILES:	O=P(O)(OP(=O)(OC(C(=O)O)CC)C(N)C)O
InChi:	InChI=1S/C6H15NO8P2/c1-3-5(6(8)9)14-16(10,4(2)7)15-17(11,12)13/h4-5H,3,7H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5+,16+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2R)-2-{[(R)-[(1S)-1-aminoethyl](phosphonooxy)phosphoryl]oxy}butanoic acid

POO

POO
Name:	3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-3-YL)METHYL]AMINO}-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID
Formula:	C31 H39 N3 O3
SMILES:	O=C(O)c1ccc3c(c1)n(c(c2ccccc2)c3C4CCCCC4)CC(=O)N(CC5CCCN(C)C5)C
InChi:	InChI=1S/C31H39N3O3/c1-32-17-9-10-22(19-32)20-33(2)28(35)21-34-27-18-25(31(36)37)15-16-26(27)29(23-11-5-3-6-12-23)30(34)24-13-7-4-8-14-24/h4,7-8,13-16,18,22-23H,3,5-6,9-12,17,19-21H2,1-2H3,(H,36,37)/t22-/m1/s1
Definition date:	2005-05-06
Last modified:	2011-06-04
Identifier:	3-cyclohexyl-1-[2-(methyl{[(3R)-1-methylpiperidin-3-yl]methyl}amino)-2-oxoethyl]-2-phenyl-1H-indole-6-carboxylic acid

POQ

POQ
Name:	BIS(((3S,4S,5R,6R)-5-(ETHYL(PHOSPHORYLOXY))-3,4,6-TRIHYDROXY-TETRAHYDRO-2H-PYRAN-2-YL)METHYL) HYDROGEN PHOSPHATE
Formula:	C16 H33 O20 P3
SMILES:	O=P(O)(OCC)OC1C(O)C(O)C(OC1O)COP(=O)(O)OCC2OC(O)C(OP(=O)(O)OCC)C(O)C2O
InChi:	InChI=1S/C16H33O20P3/c1-3-29-38(25,26)35-13-11(19)9(17)7(33-15(13)21)5-31-37(23,24)32-6-8-10(18)12(20)14(16(22)34-8)36-39(27,28)30-4-2/h7-22H,3-6H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t7-,8?,9-,10-,11+,12+,13-,14-,15-,16-/m1/s1
Definition date:	2005-08-11
Last modified:	2011-06-04
Identifier:	(2R,3R,4S,5S,6R)-6-({[{[(2S,3S,4S,5R,6R)-5-{[(R)-ethoxy(hydroxy)phosphoryl]oxy}-3,4,6-trihydroxytetrahydro-2H-pyran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}methyl)-2,4,5-trihydroxytetrahydro-2H-pyran-3-yl ethyl hydrogen (S)-phosphate (non-preferred name)

PP2

PP2
Name:	1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
Formula:	C15 H17 Cl N5
SMILES:	Clc3ccc(c1[nH+]n(c2ncnc(c12)N)C(C)(C)C)cc3
InChi:	InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)/p+1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-amino-1-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-2-ium

PP4

PP4
Name:	METHYL (2S)-[1-((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE
Formula:	C28 H32 N2 O7 P
SMILES:	O=CNC(C(=O)NC(Cc2cc1ccccc1cc2)P([O-])(=O)OC(C(=O)OC)Cc3ccccc3)C(C)C
InChi:	InChI=1S/C28H33N2O7P/c1-19(2)26(29-18-31)27(32)30-25(17-21-13-14-22-11-7-8-12-23(22)15-21)38(34,35)37-24(28(33)36-3)16-20-9-5-4-6-10-20/h4-15,18-19,24-26H,16-17H2,1-3H3,(H,29,31)(H,30,32)(H,34,35)/p-1/t24-,25+,26-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N-[(1R)-1-{[(1S)-1-benzyl-2-methoxy-2-oxoethoxy]phosphinato}-2-naphthalen-2-ylethyl]-N~2~-formyl-L-valinamide

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