[
  {
    "molid": "mol26366",
    "smiles": "Oc1nccc2[n+]1CCN2",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-]c1nccc2[n+]1CCN2",
        "std_free_energy": -5.220968723297119,
        "relative_population": 0.9999120741186291
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[O-]c1nccc2[n+]1CC[NH2+]2",
        "std_free_energy": 2.1020078659057617,
        "relative_population": 0.06601982161925028
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Oc1nccc2[n+]1CCN2",
        "std_free_energy": -0.5474923253059387,
        "relative_population": 0.9339801783807498
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]