6336903
  -OEChem-04232415542D

  7  0  0     0  0  0  0  0  0999 V2000
    5.0000    2.5000    0.0000 Ba  0  0  0  0  0 15  0  0  0  0  0  0
    0.0000    0.0000    0.0000 B   0  0  0  0  0 15  0  0  0  0  0  0
    0.0000    2.5000    0.0000 B   0  0  0  0  0 15  0  0  0  0  0  0
    2.5000    0.0000    0.0000 B   0  0  0  0  0 15  0  0  0  0  0  0
    2.5000    2.5000    0.0000 B   0  0  0  0  0 15  0  0  0  0  0  0
    2.5000    5.0000    0.0000 B   0  0  0  0  0 15  0  0  0  0  0  0
    0.0000    5.0000    0.0000 B   0  0  0  0  0 15  0  0  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6336903

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
0

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQOAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/6B.Ba

> <PUBCHEM_IUPAC_INCHIKEY>
DBNPLCUZNLSUCT-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
202.964710

> <PUBCHEM_MOLECULAR_FORMULA>
B6Ba

> <PUBCHEM_MOLECULAR_WEIGHT>
202.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
[B].[B].[B].[B].[B].[B].[Ba]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[B].[B].[B].[B].[B].[B].[Ba]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
203.961078

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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>
7

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$