[
  {
    "molid": "mol31122",
    "smiles": "CC1=C(O)C(=O)CCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=C(O)C(=O)CCC1",
        "std_free_energy": -5.986650466918945,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[CH2-]C1=C(O)C(=O)CCC1",
        "std_free_energy": -0.35773223638534546,
        "relative_population": 0.30155514889218316
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "CC1=C([O-])C(=O)CCC1",
        "std_free_energy": -1.1352092027664185,
        "relative_population": 0.6561765480671031
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.23,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]