[
  {
    "molid": "mol33960",
    "smiles": "O=C(O)CCN(CCN(CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])CC[NH+](CC[NH+](CCC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -11.093023300170898,
        "relative_population": 0.9893515504582424
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CCN(CC[NH+](CCC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -12.543404579162598,
        "relative_population": 0.9865632397740862
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.82999992370606,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]