[
  {
    "molid": "mol31592",
    "smiles": "COc1ccc(/C(C)=N/O)c(O)c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(/C(C)=N/[O-])c(O)c1",
        "std_free_energy": 2.6049463748931885,
        "relative_population": 0.06236278423052868
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc(/C(C)=N/O)c([O-])c1",
        "std_free_energy": -0.10544804483652115,
        "relative_population": 0.9376372157694713
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1ccc(/C(C)=N/[O-])c([O-])c1",
        "std_free_energy": 13.111720085144043,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.81,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]