[
  {
    "molid": "mol34605",
    "smiles": "COc1ccc(/C(C)=C(/C)C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(/C(C)=C(/C)C(=O)O)cc1",
        "std_free_energy": -3.891993522644043,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(/C(C)=C(/C)C(=O)[O-])cc1",
        "std_free_energy": -8.947183609008789,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.65000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]