[
  {
    "molid": "mol35977",
    "smiles": "O=C(O)C(=C1CCCCC1)/C(=C/c1ccccc1)C(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C(=C1CCCCC1)/C(=C/c1ccccc1)C(=O)O",
        "std_free_energy": -9.553352355957031,
        "relative_population": 0.5381304919605225
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)C(=C1CCCCC1)/C(=C/c1ccccc1)C(=O)[O-]",
        "std_free_energy": -9.400533676147461,
        "relative_population": 0.4618695080394774
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])C(=C1CCCCC1)/C(=C/c1ccccc1)C(=O)[O-]",
        "std_free_energy": -10.690826416015625,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.03000020980835,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]