[
  {
    "molid": "mol35439",
    "smiles": "CCCN(CCN[N+](=O)[O-])C(=O)N[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCN(CCN[N+](=O)[O-])C(=O)N[N+](=O)[O-]",
        "std_free_energy": -4.340737342834473,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCN(CCN[N+](=O)[O-])C(=O)[N-][N+](=O)[O-]",
        "std_free_energy": -8.770843505859375,
        "relative_population": 0.8860246097644351
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCN(CC[N-][N+](=O)[O-])C(=O)N[N+](=O)[O-]",
        "std_free_energy": -6.720081329345703,
        "relative_population": 0.11397539023556498
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.59999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]