[
  {
    "molid": "mol35864",
    "smiles": "CCOC(=O)NN(C(=O)OCC)C([N+](=O)[O-])[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)NN(C(=O)OCC)C([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -4.040947914123535,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)NN(C(=O)OCC)[C-]([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -4.696502685546875,
        "relative_population": 0.27517242453783636
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCOC(=O)[N-]N(C(=O)OCC)C([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -5.665038585662842,
        "relative_population": 0.7248275754621636
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.05999994277954,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]