[
  {
    "molid": "mol37533",
    "smiles": "O=S(=O)(O)c1ccc2c(O)ccc(/N=N/c3cccc(Cl)c3)c2c1",
    "microspecies": [
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1ccc2c(O)ccc(/N=N/c3cccc(Cl)c3)c2c1",
        "std_free_energy": -7.299344062805176,
        "relative_population": 0.9962609574847203
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccc2c([O-])ccc(/N=N/c3cccc(Cl)c3)c2c1",
        "std_free_energy": -3.780412197113037,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.48999977111816,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]