[
  {
    "molid": "mol34294",
    "smiles": "O=C(O)CN(CCN(CC(=O)O)[N+](=O)[O-])[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O=C([O-])C[NH+](CC[NH+](CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -8.752998352050781,
        "relative_population": 0.9923897152830131
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CN(CC[NH+](CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -12.15432071685791,
        "relative_population": 0.9804184026187343
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.57999992370606,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]