[
  {
    "molid": "mol772",
    "smiles": "C/C(=C\\C(=O)O)c1cc(C)cc(C)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(=C\\C(=O)O)c1cc(C)cc(C)c1O",
        "std_free_energy": -4.315840721130371,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C/C(=C\\C(=O)[O-])c1cc(C)cc(C)c1O",
        "std_free_energy": -9.034419059753418,
        "relative_population": 0.9998194956845352
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.54,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]