[
  {
    "molid": "mol34047",
    "smiles": "O=S(=O)(O)c1ccc(N=Nc2ccc(O)cc2O)cc1",
    "microspecies": [
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1ccc(N=Nc2ccc(O)cc2O)cc1",
        "std_free_energy": -7.935127258300781,
        "relative_population": 0.98975581339005
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccc(N=Nc2ccc([O-])cc2O)cc1",
        "std_free_energy": -4.178606033325195,
        "relative_population": 0.5589192449476056
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccc(N=Nc2ccc(O)cc2[O-])cc1",
        "std_free_energy": -3.941514492034912,
        "relative_population": 0.4409420487174003
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.42000007629395,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]