[
  {
    "molid": "mol36448",
    "smiles": "CN1C(=O)C(CCCc2ccc([N+](=O)[O-])cc2)C(=O)N(C)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1C(=O)C(CCCc2ccc([N+](=O)[O-])cc2)C(=O)N(C)C1=O",
        "std_free_energy": -6.559683799743652,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1c(=O)[c-](CCCc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O",
        "std_free_energy": 3.088402271270752,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.70000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]