[
  {
    "molid": "mol33814",
    "smiles": "O=Cc1cccc(C(=O)O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=Cc1cccc(C(=O)O)c1O",
        "std_free_energy": -1.746541976928711,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=Cc1cccc(C(=O)[O-])c1O",
        "std_free_energy": -10.532357215881348,
        "relative_population": 0.9992349683687383
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=Cc1cccc(C(=O)[O-])c1[O-]",
        "std_free_energy": -1.5181665420532227,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.60000038146973,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]