-OEChem-01131113482D

 10 10  0     1  0  0  0  0  0999 V2000
    7.3792   -5.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -6.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -5.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -6.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -5.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6417   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  8  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
103184310

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEMBL

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEMBL278081

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEBI:16255
CHEMBL278081

> <PUBCHEM_XREF_EXT_ID>
CHEMBL278081

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL278081

> <PUBCHEM_CID_ASSOCIATIONS>
165271  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
8  4  5

$$$$