117560
  -OEChem-05102407082D

  2  1  0     0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 In  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
117560

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
10

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQACAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
nitridoindigane

> <PUBCHEM_IUPAC_CAS_NAME>
nitriloindigane

> <PUBCHEM_IUPAC_NAME_MARKUP>
azanylidyneindigane

> <PUBCHEM_IUPAC_NAME>
azanylidyneindigane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
azanylidyneindigane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
nitriloindigane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/In.N

> <PUBCHEM_IUPAC_INCHIKEY>
NWAIGJYBQQYSPW-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
128.9069528

> <PUBCHEM_MOLECULAR_FORMULA>
InN

> <PUBCHEM_MOLECULAR_WEIGHT>
128.825

> <PUBCHEM_OPENEYE_CAN_SMILES>
N#[In]

> <PUBCHEM_OPENEYE_ISO_SMILES>
N#[In]

> <PUBCHEM_CACTVS_TPSA>
23.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
128.9069528

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
2

> <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

$$$$