[
  {
    "molid": "mol35922",
    "smiles": "O=[N+]([O-])c1ccc(NC(=S)Sc2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(NC(=S)Sc2ccccc2)cc1",
        "std_free_energy": -5.3902387619018555,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc([N-]C(=S)Sc2ccccc2)cc1",
        "std_free_energy": 1.039923906326294,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]