[
  {
    "molid": "mol36716",
    "smiles": "O=C(O)c1cccc2[nH]ccc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1cccc2[nH]ccc12",
        "std_free_energy": -10.036314964294434,
        "relative_population": 0.9999999835401907
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1cccc2[n-]ccc12",
        "std_free_energy": 8.085330963134766,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 16.3899993896484,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]