[
  {
    "molid": "mol26925",
    "smiles": "O=C1C=C(C2=C(O)CCCC2=O)CCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C=C(C2=C(O)CCCC2=O)CCC1",
        "std_free_energy": -3.7417893409729004,
        "relative_population": 1.0
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "O=C1C=C(C2=C([O-])CCCC2=O)CCC1",
        "std_free_energy": -4.025082111358643,
        "relative_population": 0.995234468448704
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.32,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]