[
  {
    "molid": "mol37573",
    "smiles": "O=[N+]([O-])c1ccc(O)c(CS(=O)(=O)O)c1",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(O)c(CS(=O)(=O)[O-])c1",
        "std_free_energy": -9.595885276794434,
        "relative_population": 0.9942420984591787
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=[N+]([O-])c1ccc([O-])c(CS(=O)(=O)[O-])c1",
        "std_free_energy": -4.547314643859863,
        "relative_population": 0.1778619599207228
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=[N+]([O-])c1ccc(O)c([CH-]S(=O)(=O)[O-])c1",
        "std_free_energy": -6.064975261688232,
        "relative_population": 0.8113247140312636
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.05000019073486,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]