[
  {
    "molid": "mol37198",
    "smiles": "O=S(=O)(O)CCNCc1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=S(=O)([O-])CC[NH2+]Cc1ccccc1",
        "std_free_energy": -10.892007827758789,
        "relative_population": 0.9999364489083136
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])CCNCc1ccccc1",
        "std_free_energy": -8.567713737487793,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.46000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]