[
  {
    "molid": "mol27870",
    "smiles": "O=[N+]([O-])C1C=Cc2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])[C@H]1C=Cc2ccccc21",
        "std_free_energy": -4.42732572555542,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])[c-]1ccc2ccccc21",
        "std_free_energy": -5.238945484161377,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]