[
  {
    "molid": "mol31550",
    "smiles": "CC1CCC(=N/O)/C(=N\\O)C1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@@H]1CCC(=N/O)/C(=N\\O)C1",
        "std_free_energy": -7.783647060394287,
        "relative_population": 0.9999818442222955
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H]1CCC(=N/O)/C(=N\\[O-])C1",
        "std_free_energy": 0.761310338973999,
        "relative_population": 0.48865449003631384
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@H]1CCC(=N/[O-])/C(=N\\O)C1",
        "std_free_energy": 0.7159205079078674,
        "relative_population": 0.5113455099636862
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.54,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]