[
  {
    "molid": "mol31492",
    "smiles": "O/N=C/c1ccn[nH]1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O/N=C/c1ccn[nH]1",
        "std_free_energy": -7.776491165161133,
        "relative_population": 0.999999545938153
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]/N=C/c1ccn[nH]1",
        "std_free_energy": -0.06201633810997009,
        "relative_population": 0.9921370898683671
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]