[
  {
    "molid": "mol830",
    "smiles": "O=C(O)c1ccc([C@@]23CCCC[C@@H]2C3)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1ccc([C@@]23CCCC[C@@H]2C3)cc1",
        "std_free_energy": -3.592674970626831,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccc([C@@]23CCCC[C@@H]2C3)cc1",
        "std_free_energy": -8.7791748046875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.16,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]