[
  {
    "molid": "mol38524",
    "smiles": "O=S(=O)(O)CNC1CCCCC1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=S(=O)([O-])C[NH2+][C@H]1CCCC[C@H]1O",
        "std_free_energy": -9.371779441833496,
        "relative_population": 0.9978998593375921
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])CN[C@H]1CCCC[C@H]1O",
        "std_free_energy": -8.538352012634277,
        "relative_population": 0.999999964031702
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.44999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]