[
  {
    "molid": "mol16219",
    "smiles": "CC(C)NC1=NS(=O)(=O)c2cc(Cl)ccc2S1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)NC1=NS(=O)(=O)c2cc(Cl)ccc2S1",
        "std_free_energy": -6.579676628112793,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)[N-]C1=NS(=O)(=O)c2cc(Cl)ccc2S1",
        "std_free_energy": 4.081508159637451,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.76,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]