[
  {
    "molid": "mol34441",
    "smiles": "O=C(O)CN(CCCN(CC(=O)O)[N+](=O)[O-])[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O=C([O-])C[NH+](CCC[NH+](CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -10.856644630432129,
        "relative_population": 0.9986205497928264
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CN(CCC[NH+](CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -12.824580192565918,
        "relative_population": 0.9863491753983828
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.51000022888184,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]