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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
PN5
PN5
Name:(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate
Formula:C16 H30 N2 O5 S
SMILES:O=C(NCCS)CCNC(=O)C(O)C(C)(C)COC(=O)C(C)(C)C
InChi:InChI=1S/C16H30N2O5S/c1-15(2,3)14(22)23-10-16(4,5)12(20)13(21)18-7-6-11(19)17-8-9-24/h12,20,24H,6-10H2,1-5H3,(H,17,19)(H,18,21)/t12-/m0/s1
Definition date:2008-05-19
Last modified:2011-06-04
Identifier:(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate
PNB
PNB
Name:4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE
Formula:C13 H17 N2 O8 P
SMILES:O=C(O)CNC(=O)CCCP(=O)(OCc1ccc(cc1)[N+]([O-])=O)O
InChi:InChI=1S/C13H17N2O8P/c16-12(14-8-13(17)18)2-1-7-24(21,22)23-9-10-3-5-11(6-4-10)15(19)20/h3-6H,1-2,7-9H2,(H,14,16)(H,17,18)(H,21,22)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-(4-{(S)-hydroxy[(4-nitrobenzyl)oxy]phosphoryl}butanoyl)glycine
PNC
PNC
Name:PARA-NITROBENZYL GLUTARYL GLYCINIC ACID
Formula:C14 H17 N3 O6
SMILES:O=C(O)CNC(=O)CCCC(=O)NCc1ccc(cc1)[N+]([O-])=O
InChi:InChI=1S/C14H17N3O6/c18-12(2-1-3-13(19)16-9-14(20)21)15-8-10-4-6-11(7-5-10)17(22)23/h4-7H,1-3,8-9H2,(H,15,18)(H,16,19)(H,20,21)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-{5-[(4-nitrobenzyl)amino]-5-oxopentanoyl}glycine
PNE
PNE
Name:PARA-NITROPHENYL PHOSPHONOBUTANOYL L-ALANINE
Formula:C13 H17 N2 O8 P
SMILES:O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)NC(C(=O)O)C
InChi:InChI=1S/C13H17N2O8P/c1-9(13(17)18)14-12(16)3-2-8-24(21,22)23-11-6-4-10(5-7-11)15(19)20/h4-7,9H,2-3,8H2,1H3,(H,14,16)(H,17,18)(H,21,22)/t9-/m1/s1
Definition date:2002-01-03
Last modified:2011-06-04
Identifier:N-{4-[(R)-hydroxy(4-nitrophenoxy)phosphoryl]butanoyl}-D-alanine
PNF
PNF
Name:6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
Formula:C16 H23 N2 O8 P
SMILES:O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)NCCCCCC(=O)O
InChi:InChI=1S/C16H23N2O8P/c19-15(17-11-3-1-2-6-16(20)21)5-4-12-27(24,25)26-14-9-7-13(8-10-14)18(22)23/h7-10H,1-6,11-12H2,(H,17,19)(H,20,21)(H,24,25)
Definition date:1999-09-14
Last modified:2011-06-04
Identifier:6-({4-[(R)-hydroxy(4-nitrophenoxy)phosphoryl]butanoyl}amino)hexanoic acid
PNI
PNI
Name:TETRA[N-METHYL-PYRIDYL] PORPHYRIN-NICKEL
Formula:C44 H36 N8 Ni
SMILES:c76/C(c%11n4c(/C(c1n5c(cc1)/C(=C2/C=CN(C=C2)C)c3ccc/9n3[Ni]45n6c(cc7)C9=C8/C=CN(C=C8)C)=C%10/C=CN(C=C%10)C)cc%11)=C%12C=CN(C=C%12)C
InChi:InChI=1S/C44H36N8.Ni/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31
Definition date:2000-03-17
Last modified:2011-06-04
Identifier:[5,10,15,20-tetrakis(1-methylpyridin-4(1H)-ylidene)-5,10,15,20,22,24-hexahydroporphyrinato(4-)-kappa~4~N~21~,N~22~,N~23~,N~24~]nickel
PNN
PNN
Name:PENICILLIN G
Formula:C16 H18 N2 O4 S
SMILES:O=C(O)C2N3C(=O)C(NC(=O)Cc1ccccc1)C3SC2(C)C
InChi:InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
Definition date:2000-09-13
Last modified:2011-06-04
Identifier:(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
PNO
PNO
Name:P-METHYL AMINOPHOSPHINIC ACID
Formula:C H6 N O2 P
SMILES:O=P(O)(N)C
InChi:InChI=1S/CH6NO2P/c1-5(2,3)4/h1H3,(H3,2,3,4)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(R)-P-methylphosphonamidic acid
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
PNT
PNT
Name:1,5-BIS(4-AMIDINOPHENOXY)PENTANE
Formula:C19 H24 N4 O2
SMILES:O(c1ccc(cc1)C(=[N@H])N)CCCCCOc2ccc(C(=[N@H])N)cc2
InChi:InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide
PNU
PNU
Name:6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE
Formula:C13 H11 Cl N4 O S
SMILES:Clc1nc(nc(N)c1)SC(c2ncc3occc3c2)C
InChi:InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1
Definition date:2001-05-22
Last modified:2011-06-04
Identifier:6-chloro-2-{[(1S)-1-furo[2,3-c]pyridin-5-ylethyl]sulfanyl}pyrimidin-4-amine
4RB
4RB
Name:4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid
Formula:C17 H18 N4 O3
SMILES:O=C(O)c3ccc(c1cnc2ccc(nn12)NC(CC)CO)cc3
InChi:InChI=1S/C17H18N4O3/c1-2-13(10-22)19-15-7-8-16-18-9-14(21(16)20-15)11-3-5-12(6-4-11)17(23)24/h3-9,13,22H,2,10H2,1H3,(H,19,20)(H,23,24)/t13-/m1/s1
Definition date:2007-12-26
Last modified:2011-06-04
Identifier:4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid
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
PO1
PO1
Name:(9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE
Formula:C19 H28 N2 O7 S2
SMILES:O=S(=O)(Oc1cc4c(cc1OC)C3CCC2(C(CCC2OS(=O)(=O)N)C3CC4)C)N
InChi:InChI=1S/C19H28N2O7S2/c1-19-8-7-12-13(15(19)5-6-18(19)28-30(21,24)25)4-3-11-9-17(27-29(20,22)23)16(26-2)10-14(11)12/h9-10,12-13,15,18H,3-8H2,1-2H3,(H2,20,22,23)(H2,21,24,25)/t12-,13+,15-,18-,19-/m0/s1
Definition date:2006-04-04
Last modified:2011-06-04
Identifier:(9beta,17beta)-2-methoxyestra-1,3,5(10)-triene-3,17-diyl disulfamate
PO4
PO4
Name:PHOSPHATE ION
Formula:O4 P
SMILES:[O-]P([O-])([O-])=O
InChi:InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:phosphate
PO5
PO5
Name:(2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol
Formula:C25 H30 N8 O3
SMILES:n4n3ncc(c1nc(ncc1)Nc2ccc(OCC(O)CN(C)C)cc2)c3ccc4N5CCOCC5
InChi:InChI=1S/C25H30N8O3/c1-31(2)16-19(34)17-36-20-5-3-18(4-6-20)28-25-26-10-9-22(29-25)21-15-27-33-23(21)7-8-24(30-33)32-11-13-35-14-12-32/h3-10,15,19,34H,11-14,16-17H2,1-2H3,(H,26,28,29)/t19-/m0/s1
Definition date:2008-09-17
Last modified:2011-06-04
Identifier:(2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-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
POF
POF
Name:(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate
Formula:C24 H27 N3 O5 S
SMILES:O=S(=O)(Oc1cc3c(cc1)C2CCC4(C(=O)N(C(=O)CC4C2CC3)Cc5cccnc5)C)N
InChi:InChI=1S/C24H27N3O5S/c1-24-9-8-19-18-7-5-17(32-33(25,30)31)11-16(18)4-6-20(19)21(24)12-22(28)27(23(24)29)14-15-3-2-10-26-13-15/h2-3,5,7,10-11,13,19-21H,4,6,8-9,12,14H2,1H3,(H2,25,30,31)/t19-,20-,21+,24+/m1/s1
Definition date:2008-02-12
Last modified:2011-06-04
Identifier:(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate
POI
POI
Name:N~2~-ACETYL-N~5~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-ORNITHINE
Formula:C15 H24 N3 O8 P
SMILES:O=C(O)C(NC(=O)C)CCCNCc1c(cnc(c1O)C)COP(=O)(O)O
InChi:InChI=1S/C15H24N3O8P/c1-9-14(20)12(11(6-17-9)8-26-27(23,24)25)7-16-5-3-4-13(15(21)22)18-10(2)19/h6,13,16,20H,3-5,7-8H2,1-2H3,(H,18,19)(H,21,22)(H2,23,24,25)/t13-/m0/s1
Definition date:2004-06-21
Last modified:2011-06-04
Identifier:N~2~-acetyl-N~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-ornithine
PON
PON
Name:IMIDO DIPHOSPHATE
Formula:H3 N O6 P2
SMILES:O[P]([O-])(=N)O[P](O)([O-])=O
InChi:InChI=1S/H4NO6P2/c1-8(2,3)7-9(4,5)6/h(H4-,1,2,3,4,5,6)/q-1/p-1
Definition date:2000-08-04
Last modified:2011-06-04
Identifier:(hydroxy-oxido-phosphinimyl) hydrogen phosphate
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)
POX
POX
Name:4-amino-6-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}pyrimidine-5-carbaldehyde O-(2-methoxyethyl)oxime
Formula:C22 H22 F N7 O2
SMILES:Fc1cccc(c1)Cn3ncc2cc(ccc23)Nc4ncnc(N)c4C=NOCCOC
InChi:InChI=1S/C22H22FN7O2/c1-31-7-8-32-28-12-19-21(24)25-14-26-22(19)29-18-5-6-20-16(10-18)11-27-30(20)13-15-3-2-4-17(23)9-15/h2-6,9-12,14H,7-8,13H2,1H3,(H3,24,25,26,29)/b28-12+
Definition date:2007-12-07
Last modified:2011-06-04
Identifier:4-amino-6-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}pyrimidine-5-carbaldehyde O-(2-methoxyethyl)oxime

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