[
  {
    "molid": "mol35528",
    "smiles": "Nc1ccc(C2(c3ccc(N)cc3)OS(=O)(=O)c3ccccc32)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(C2(c3ccc(N)cc3)OS(=O)(=O)c3ccccc32)cc1",
        "std_free_energy": -6.045459747314453,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ccc(C2(c3ccc([NH3+])cc3)OS(=O)(=O)c3ccccc32)cc1",
        "std_free_energy": -0.707338809967041,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.5900000333786,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]