[
  {
    "molid": "mol13491",
    "smiles": "CCC([N+](=O)[O-])=[N+]([O-])O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC([N+](=O)[O-])=[N+]([O-])O",
        "std_free_energy": -1.768945336341858,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCC([N+](=O)[O-])=[N+]([O-])[O-]",
        "std_free_energy": -7.452467918395996,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.0999999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.09999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]