[
  {
    "molid": "mol31593",
    "smiles": "COc1ccc(O)c(/C(C)=N/O)c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(O)c(/C(C)=N/[O-])c1",
        "std_free_energy": 1.5677367448806763,
        "relative_population": 0.15658728802947913
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc([O-])c(/C(C)=N/O)c1",
        "std_free_energy": -0.1161060631275177,
        "relative_population": 0.8434127119705208
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1ccc([O-])c(/C(C)=N/[O-])c1",
        "std_free_energy": 13.586946487426758,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.92,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]