11591
 OpenBabel05082101102D

  5  4  0  0  0  0  0  0  0  0999 V2000
    3.7320   -0.5000    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  3  0  0  0  0
  3  5  3  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
11591

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
85.3

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBDAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
dicyanomercury

>  <PUBCHEM_IUPAC_CAS_NAME>
dicyanomercury

>  <PUBCHEM_IUPAC_NAME_MARKUP>
dicyanomercury

>  <PUBCHEM_IUPAC_NAME>
dicyanomercury

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dicyanomercury

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dicyanomercury

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/2CN.Hg/c2*1-2;

>  <PUBCHEM_IUPAC_INCHIKEY>
FQGYCXFLEQVDJQ-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
253.976792

>  <PUBCHEM_MOLECULAR_FORMULA>
C2HgN2

>  <PUBCHEM_MOLECULAR_WEIGHT>
252.63

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C(#N)[Hg]C#N

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C(#N)[Hg]C#N

>  <PUBCHEM_CACTVS_TPSA>
47.6

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
253.976792

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
5

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
