[
  {
    "molid": "mol37400",
    "smiles": "Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1",
        "std_free_energy": -11.030927658081055,
        "relative_population": 0.9999954774152042
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "Cc1ccc(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])cc1",
        "std_free_energy": 0.6687431335449219,
        "relative_population": 0.9734807049521588
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3999996185303,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]