[
  {
    "molid": "mol38251",
    "smiles": "O=S(=O)(O)c1ccccc1N=C(c1ccccc1)c1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=S(=O)(O)c1ccccc1N=C(c1ccccc1)c1ccccc1O",
        "std_free_energy": -4.669912815093994,
        "relative_population": 0.9838705234056736
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1ccccc1N=C(c1ccccc1)c1ccccc1O",
        "std_free_energy": -8.679278373718262,
        "relative_population": 0.9976405976994261
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]