[
  {
    "molid": "mol10305",
    "smiles": "O=Nc1c(O)cc(S(=O)(=O)O)c2[nH]ncc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=Nc1c(O)cc(S(=O)(=O)[O-])c2[nH]ncc12",
        "std_free_energy": -6.954679489135742,
        "relative_population": 0.9043810567956645
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=Nc1c(O)cc(S(=O)(=O)O)c2[n-]ncc12",
        "std_free_energy": -4.256295204162598,
        "relative_population": 0.060877674188182705
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=Nc1c([O-])cc(S(=O)(=O)[O-])c2[nH]ncc12",
        "std_free_energy": -4.82001256942749,
        "relative_population": 0.7765338882049636
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=Nc1c(O)cc(S(=O)(=O)[O-])c2[n-]ncc12",
        "std_free_energy": -3.574030637741089,
        "relative_population": 0.2233764248506038
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.75,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]