[
  {
    "molid": "mol37196",
    "smiles": "O=S(=O)(O)CCCCN1CCOCC1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=S(=O)([O-])CCCC[NH+]1CCOCC1",
        "std_free_energy": -9.179830551147461,
        "relative_population": 0.9973449721014888
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])CCCCN1CCOCC1",
        "std_free_energy": -7.27963924407959,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.82000017166138,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]