[
  {
    "molid": "mol33006",
    "smiles": "O=C(O)COC1CCC2CCCCC2C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CO[C@@H]1CC[C@@H]2CCCC[C@H]2C1",
        "std_free_energy": -3.0769104957580566,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CO[C@@H]1CC[C@@H]2CCCC[C@H]2C1",
        "std_free_energy": -9.814430236816406,
        "relative_population": 0.9999994338334641
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.64,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.64000010490417,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]