[
  {
    "molid": "mol35131",
    "smiles": "C[N+]1(CC(=O)[O-])CC[N+](C)(CC(=O)[O-])CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[N@+]1(CC(=O)[O-])CC[N@@+](C)(CC(=O)[O-])CC1",
        "std_free_energy": -12.94305419921875,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[N@+]1(CC(=O)[O-])CC[N@@+](C)(CC(=O)O)CC1",
        "std_free_energy": -3.2807698249816895,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.09999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]