[
  {
    "molid": "mol37935",
    "smiles": "O=C(O)c1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c2c1O",
    "microspecies": [
      {
        "id": "-1_11",
        "charge": -1,
        "smiles": "O=C([O-])c1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c2c1O",
        "std_free_energy": -5.232003211975098,
        "relative_population": 0.907665094480751
      },
      {
        "id": "-2_11",
        "charge": -2,
        "smiles": "O=C([O-])c1ccccc1N=Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)O)cc(O)c2c1O",
        "std_free_energy": -8.761090278625488,
        "relative_population": 0.25204746758400676
      },
      {
        "id": "-2_22",
        "charge": -2,
        "smiles": "O=C([O-])c1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)[O-])cc(O)c2c1O",
        "std_free_energy": -9.830185890197754,
        "relative_population": 0.7341497631376832
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.35999989509583,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]