[
  {
    "molid": "mol4476",
    "smiles": "[O-][n+]1c(O)ccc2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-][n+]1c(O)ccc2ccccc21",
        "std_free_energy": -5.556746006011963,
        "relative_population": 0.7176152306879431
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-]c1ccc2ccccc2[n+]1O",
        "std_free_energy": -4.624083042144775,
        "relative_population": 0.2823847693120569
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc2ccccc2[n+]1[O-]",
        "std_free_energy": -5.098823547363281,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.89,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]