[
  {
    "molid": "mol31104",
    "smiles": "O=C1CCC/C1=C\\O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CCC/C1=C\\O",
        "std_free_energy": -4.1966657638549805,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1CCC/C1=C\\[O-]",
        "std_free_energy": -3.961580753326416,
        "relative_population": 0.9999919904544677
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.44,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]