[
  {
    "molid": "mol35733",
    "smiles": "O=C(NN(C(=O)c1ccccc1)C([N+](=O)[O-])[N+](=O)[O-])c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NN(C(=O)c1ccccc1)C([N+](=O)[O-])[N+](=O)[O-])c1ccccc1",
        "std_free_energy": -4.054648399353027,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([N-]N(C(=O)c1ccccc1)C([N+](=O)[O-])[N+](=O)[O-])c1ccccc1",
        "std_free_energy": -4.815202236175537,
        "relative_population": 0.3272151791954568
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(NN(C(=O)c1ccccc1)[C-]([N+](=O)[O-])[N+](=O)[O-])c1ccccc1",
        "std_free_energy": -5.536009788513184,
        "relative_population": 0.6727848208045433
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.08999991416931,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]