[
  {
    "molid": "mol36603",
    "smiles": "COC(=O)N(NC(=O)Oc1ccccc1)C([N+](=O)[O-])[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)N(NC(=O)Oc1ccccc1)C([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -3.9735636711120605,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)N([N-]C(=O)Oc1ccccc1)C([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -5.55297327041626,
        "relative_population": 0.6674217604810762
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COC(=O)N(NC(=O)Oc1ccccc1)[C-]([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -4.856426239013672,
        "relative_population": 0.3325782395189238
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.73000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]