[
  {
    "molid": "mol11819",
    "smiles": "Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1",
        "std_free_energy": -6.655609130859375,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1",
        "std_free_energy": -2.0648536682128906,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.28,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]