[
  {
    "molid": "mol14590",
    "smiles": "O=[N+]([O-])c1cc([N+](=O)[O-])c2nnn(O)c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1cc([N+](=O)[O-])c2nnn(O)c2c1",
        "std_free_energy": 0.057587265968322754,
        "relative_population": 0.9999579867514999
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1cc([N+](=O)[O-])c2nnn([O-])c2c1",
        "std_free_energy": -12.137612342834473,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 1.60000002384186,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]