[
  {
    "molid": "mol37520",
    "smiles": "O=S(=O)(O)c1cc(Nc2cc(Br)c(O)c(Br)c2)ccc1O",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cc(Nc2cc(Br)c(O)c(Br)c2)ccc1O",
        "std_free_energy": -9.541908264160156,
        "relative_population": 0.9922787238578423
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc(Nc2cc(Br)c(O)c(Br)c2)ccc1[O-]",
        "std_free_energy": -2.4368631839752197,
        "relative_population": 0.08761823000679499
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc(Nc2cc(Br)c([O-])c(Br)c2)ccc1O",
        "std_free_energy": -4.7798943519592285,
        "relative_population": 0.9123468624276753
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.01000022888184,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]