[
  {
    "molid": "mol37199",
    "smiles": "O=S(=O)(O)CNC1CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=S(=O)([O-])C[NH2+]C1CCCCC1",
        "std_free_energy": -10.444497108459473,
        "relative_population": 0.9998230723788798
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])CNC1CCCCC1",
        "std_free_energy": -8.92786979675293,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.55000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]