-OEChem-05171211432D

 10 10  0     0  0  0  0  0  0999 V2000
    8.4446  -12.3549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4487  -15.6560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5902  -13.5829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1621  -13.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4471  -13.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1649  -14.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4489  -14.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7357  -13.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7346  -14.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8746  -13.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7  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>
103529722

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEMBL

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEMBL243186

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEBI:28508
CHEMBL243186

> <PUBCHEM_XREF_EXT_ID>
CHEMBL243186

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL243186

> <PUBCHEM_CID_ASSOCIATIONS>
70949  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$