[
  {
    "molid": "mol20365",
    "smiles": "O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC(F)F)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC(F)F)cc1",
        "std_free_energy": -2.5454704761505127,
        "relative_population": 0.9846858870175319
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC(F)F)cc1",
        "std_free_energy": -11.001626968383789,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]