-OEChem-10281115202D

  7  7  0     0  0  0  0  0  0999 V2000
   -1.2091    0.8796    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1667    1.9182    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0724    1.9190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6218    2.1512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9522    1.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2872    1.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0346    0.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
103513674

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEMBL

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEMBL224633

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEMBL224633

> <PUBCHEM_XREF_EXT_ID>
CHEMBL224633

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL224633

> <PUBCHEM_CID_ASSOCIATIONS>
1201546  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$