[
  {
    "molid": "mol37253",
    "smiles": "C[C@H]([C@H](C)N(C)C)S(=O)(=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]([C@H](C)N(C)C)S(=O)(=O)c1ccccc1",
        "std_free_energy": -4.878693580627441,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@H]([C@H](C)[NH+](C)C)S(=O)(=O)c1ccccc1",
        "std_free_energy": -6.909003734588623,
        "relative_population": 0.9987367130714124
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.90000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]