[
  {
    "molid": "mol37908",
    "smiles": "CN(C)C(=O)c1cc(S(=O)(=O)O)cc(-c2cc(S(=O)(=O)O)cc(C(=O)N(C)C)c2O)c1O",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "CN(C)C(=O)c1cc(S(=O)(=O)[O-])cc(-c2cc(S(=O)(=O)[O-])cc(C(=O)N(C)C)c2[O-])c1[O-]",
        "std_free_energy": 3.8513553142547607,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "CN(C)C(=O)c1cc(S(=O)(=O)[O-])cc(-c2cc(S(=O)(=O)[O-])cc(C(=O)N(C)C)c2O)c1[O-]",
        "std_free_energy": -4.900199890136719,
        "relative_population": 0.998907547896517
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.15999984741211,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]