[
  {
    "molid": "mol19935",
    "smiles": "CCN1CNS(=O)(=O)c2cc(Cl)ccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN1CNS(=O)(=O)c2cc(Cl)ccc21",
        "std_free_energy": -7.186761379241943,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCN1C[N-]S(=O)(=O)c2cc(Cl)ccc21",
        "std_free_energy": 1.2303394079208374,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.33,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]