[
  {
    "molid": "mol10304",
    "smiles": "O=Nc1c(S(=O)(=O)O)cc(O)c2cn[nH]c12",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=Nc1c(S(=O)(=O)[O-])cc(O)c2cn[nH]c12",
        "std_free_energy": -7.043713092803955,
        "relative_population": 0.9570621286414724
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=Nc1c(S(=O)(=O)[O-])cc(O)c2cn[n-]c12",
        "std_free_energy": -3.491469621658325,
        "relative_population": 0.2069168082510488
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=Nc1c(S(=O)(=O)[O-])cc([O-])c2cn[nH]c12",
        "std_free_energy": -4.834895610809326,
        "relative_population": 0.7929362354465687
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.15,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]