[
  {
    "molid": "mol35909",
    "smiles": "CCOc1ccc(/C=C(\\Br)C(=O)C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOc1ccc(/C=C(\\Br)C(=O)C(=O)O)cc1",
        "std_free_energy": -1.1471328735351562,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOc1ccc(/C=C(\\Br)C(=O)C(=O)[O-])cc1",
        "std_free_energy": -12.148765563964844,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.72000002861023,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]