[
  {
    "molid": "mol37507",
    "smiles": "O=S(=O)(O)c1cc(O)c2c(O)c(N=Nc3nccs3)c(S(=O)(=O)O)cc2c1",
    "microspecies": [
      {
        "id": "0_13",
        "charge": 0,
        "smiles": "O=S(=O)(O)c1cc(O)c2c(O)c(N=Nc3nccs3)c(S(=O)(=O)O)cc2c1",
        "std_free_energy": 0.2642446756362915,
        "relative_population": 0.9995923748788894
      },
      {
        "id": "-1_10",
        "charge": -1,
        "smiles": "O=S(=O)(O)c1cc(O)c2c([O-])c(N=Nc3nccs3)c(S(=O)(=O)O)cc2c1",
        "std_free_energy": -2.4146294593811035,
        "relative_population": 0.11693070386589759
      },
      {
        "id": "-1_13",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cc2cc(S(=O)(=O)O)cc(O)c2c(O)c1N=Nc1nccs1",
        "std_free_energy": -3.8394393920898438,
        "relative_population": 0.4860888457569019
      },
      {
        "id": "-1_26",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cc(O)c2c(O)c(N=Nc3nccs3)c(S(=O)(=O)O)cc2c1",
        "std_free_energy": -3.577610969543457,
        "relative_population": 0.37411490948832
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]