[
  {
    "molid": "mol12388",
    "smiles": "N[n+]1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N[n+]1ccccc1[O-]",
        "std_free_energy": -5.321927547454834,
        "relative_population": 0.9999718194544044
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N[n+]1ccccc1O",
        "std_free_energy": 8.316678047180176,
        "relative_population": 0.059268926700052744
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+][n+]1ccccc1[O-]",
        "std_free_energy": 5.552105903625488,
        "relative_population": 0.9407310732999472
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.0999999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]