[
  {
    "molid": "mol37410",
    "smiles": "Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)O)cc1",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cc1",
        "std_free_energy": -10.84030818939209,
        "relative_population": 0.9999969421495336
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1ccc(S(=O)(=O)[N-][C@@H](CCC(N)=O)C(=O)[O-])cc1",
        "std_free_energy": 1.1912384033203125,
        "relative_population": 0.9655799734369249
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.8000001907349,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]