[
  {
    "molid": "mol24938",
    "smiles": "CN(C)c1ccc(/N=N/c2ccccc2S(=O)(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)c1ccc(/N=N/c2ccccc2S(=O)(=O)O)cc1",
        "std_free_energy": -1.6439605951309204,
        "relative_population": 0.17244984296426588
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "C[NH+](C)c1ccc(/N=N/c2ccccc2S(=O)(=O)[O-])cc1",
        "std_free_energy": -3.187152147293091,
        "relative_population": 0.8069792705817561
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)c1ccc(/N=N/c2ccccc2S(=O)(=O)[O-])cc1",
        "std_free_energy": -11.895879745483398,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.47,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]