[
  {
    "molid": "mol7776",
    "smiles": "[O-][n+]1cccc2cccc(O)c21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-][n+]1cccc2cccc(O)c21",
        "std_free_energy": -5.555149078369141,
        "relative_population": 0.988049708201793
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1cccc2ccc[n+](O)c12",
        "std_free_energy": 6.263011932373047,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.31,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]