[
  {
    "molid": "mol11441",
    "smiles": "O=Nc1ccc2cccc(S(=O)(=O)O)c2c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=Nc1ccc2cccc(S(=O)(=O)O)c2c1O",
        "std_free_energy": 1.535190224647522,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=Nc1ccc2cccc(S(=O)(=O)[O-])c2c1O",
        "std_free_energy": -10.11075210571289,
        "relative_population": 0.9960937983761228
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=Nc1ccc2cccc(S(=O)(=O)[O-])c2c1[O-]",
        "std_free_energy": -4.557854652404785,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.19,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.74,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]