[
  {
    "molid": "mol31103",
    "smiles": "O=C1CCCC=C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CCCC=C1O",
        "std_free_energy": -5.804592132568359,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1CC[CH-]C=C1O",
        "std_free_energy": -0.014546215534210205,
        "relative_population": 0.15884561923738433
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1CCCC=C1[O-]",
        "std_free_energy": -1.6511510610580444,
        "relative_population": 0.8161005968963957
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]