[
  {
    "molid": "mol37779",
    "smiles": "CN(C)c1ccc(S(N)(=O)=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc(S(N)(=O)=O)cc1",
        "std_free_energy": -8.055940628051758,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)c1ccc(S(N)(=O)=O)cc1",
        "std_free_energy": 1.4420113563537598,
        "relative_population": 0.603798862260506
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1ccc(S([NH3+])(=O)=O)cc1",
        "std_free_energy": 1.8633304834365845,
        "relative_population": 0.3962011377394939
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.5349999666214,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]