-OEChem-10311114422D

  9  9  0     0  0  0  0  0  0999 V2000
    0.8250   -0.2167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.3833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -2.0250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
103225642

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEMBL

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEMBL296348

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEBI:28222
CHEMBL296348

> <PUBCHEM_XREF_EXT_ID>
CHEMBL296348

> <PUBCHEM_EXT_DATASOURCE_URL>
https://www.ebi.ac.uk/chembldb

> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL296348

> <PUBCHEM_CID_ASSOCIATIONS>
13  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$