[
  {
    "molid": "mol35739",
    "smiles": "N#Cc1ccc(OS(=O)(=O)c2ccccc2NC(=O)c2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#Cc1ccc(OS(=O)(=O)c2ccccc2NC(=O)c2ccccc2)cc1",
        "std_free_energy": -6.417319297790527,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#Cc1ccc(OS(=O)(=O)c2ccccc2[N-]C(=O)c2ccccc2)cc1",
        "std_free_energy": 1.9493992328643799,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.3500003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]