[
  {
    "molid": "mol37941",
    "smiles": "O=S(=O)(O)c1cc(Nc2nc(Cl)nc(Cl)n2)c2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1",
    "microspecies": [
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cc(Nc2nc(Cl)nc(Cl)n2)c2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1",
        "std_free_energy": -5.598863124847412,
        "relative_population": 0.7995154307445902
      },
      {
        "id": "-1_27",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cc2cc(S(=O)(=O)O)cc(Nc3nc(Cl)nc(Cl)n3)c2c(O)c1N=Nc1ccccc1",
        "std_free_energy": -3.8111629486083984,
        "relative_population": 0.13379458236680836
      },
      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc(Nc2nc(Cl)nc(Cl)n2)c2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)[O-])cc2c1",
        "std_free_energy": -9.973044395446777,
        "relative_population": 0.9835718062863293
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.6800000667572,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]