[
  {
    "molid": "mol26192",
    "smiles": "C[n+]1ncc(O)c2ccccc21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[n+]1ncc([O-])c2ccccc21",
        "std_free_energy": -5.370492458343506,
        "relative_population": 0.9999950417192631
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1ncc(O)c2ccccc21",
        "std_free_energy": 7.174548625946045,
        "relative_population": 0.6808249439293509
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[n+]1[nH+]cc([O-])c2ccccc21",
        "std_free_energy": 7.932114124298096,
        "relative_population": 0.31917505607064917
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.91,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]