[
  {
    "molid": "mol36605",
    "smiles": "COC(=O)NN(C(=O)OC)C([N+](=O)[O-])[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)NN(C(=O)OC)C([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -3.598052978515625,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)[N-]N(C(=O)OC)C([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -6.215552806854248,
        "relative_population": 0.6936279129041945
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COC(=O)NN(C(=O)OC)[C-]([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -5.3984174728393555,
        "relative_population": 0.3063720870958055
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]