[
  {
    "molid": "mol25755",
    "smiles": "CN(C)c1cc(O)[n+](C)cn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1cc([O-])[n+](C)cn1",
        "std_free_energy": -6.451849937438965,
        "relative_population": 0.9999812593455707
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1cc(O)[n+](C)cn1",
        "std_free_energy": 2.2682268619537354,
        "relative_population": 0.7875599962775149
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN(C)c1cc([O-])[n+](C)c[nH+]1",
        "std_free_energy": 3.709510326385498,
        "relative_population": 0.18635549054633999
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]