21127297
  -OEChem-04252408502D

 15 13  0     1  0  0  0  0  0999 V2000
    1.4820    0.0000    0.0000 Pb  0  0  0  0  0 15  0  0  0  0  0  0
    3.4641    5.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5981    6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    5.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7320    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9441    3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    4.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3291    5.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
M  CHG  2   2  -1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
21127297

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
122

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiOAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACCjBgAQACABAAAAIAACQCAAAAAAAAAAAAIGAAAACABgAAAAAAAAGEAAAAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H7NO4.Pb/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
GBOOVDDFXCVEFL-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
338.99851

> <PUBCHEM_MOLECULAR_FORMULA>
C4H5NO4Pb-2

> <PUBCHEM_MOLECULAR_WEIGHT>
338

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(C(=O)[O-])N)C(=O)[O-].[Pb]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C(C(=O)[O-])N)C(=O)[O-].[Pb]

> <PUBCHEM_CACTVS_TPSA>
106

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
338.99851

> <PUBCHEM_TOTAL_CHARGE>
-2

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
7  6  3

$$$$