[
  {
    "molid": "mol33824",
    "smiles": "O=C(O)c1nc(O)nc(O)n1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1nc(O)nc(O)n1",
        "std_free_energy": -9.888590812683105,
        "relative_population": 0.9953246937456678
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])c1nc([O-])nc(O)n1",
        "std_free_energy": -3.8710734844207764,
        "relative_population": 0.9997044994268066
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.09000015258789,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.80000019073486,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]