[
  {
    "molid": "mol31154",
    "smiles": "CC1(C)OC(O)OC1(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)OC(O)OC1(C)C",
        "std_free_energy": -6.226381301879883,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)OC([O-])OC1(C)C",
        "std_free_energy": -1.4216694831848145,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.37,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]