-OEChem-04101213352D

  4  3  0     0  0  0  0  0  0999 V2000
    0.0514    3.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4804    3.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7659    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7659    2.6813    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
123080125

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
BindingDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
39817

> <PUBCHEM_SUBSTANCE_SYNONYM>
Boronic Acid

> <PUBCHEM_XREF_EXT_ID>
39817

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.bindingDB.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=39817

> <PUBCHEM_CID_ASSOCIATIONS>
7628  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$