[
  {
    "molid": "mol38239",
    "smiles": "O=S(=O)(O)c1ccc2c(N=Nc3cccc(Br)c3)c(O)ccc2c1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1ccc2c(N=Nc3cccc(Br)c3)c(O)ccc2c1",
        "std_free_energy": -7.773029327392578,
        "relative_population": 0.9969845009271204
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccc2c(N=Nc3cccc(Br)c3)c([O-])ccc2c1",
        "std_free_energy": -3.6599063873291016,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.2700004577637,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]