[
  {
    "molid": "mol11816",
    "smiles": "Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1",
        "std_free_energy": -5.936443328857422,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1",
        "std_free_energy": -3.0390098094940186,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.54,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]