[
  {
    "molid": "mol7430",
    "smiles": "Cc1cc(S(=O)(=O)O)nc(C)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(S(=O)(=O)[O-])[nH+]c(C)n1",
        "std_free_energy": -1.472086787223816,
        "relative_population": 0.34231053973166325
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1cc(S(=O)(=O)[O-])nc(C)[nH+]1",
        "std_free_energy": -2.0550765991210938,
        "relative_population": 0.6132104250288398
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(S(=O)(=O)[O-])nc(C)n1",
        "std_free_energy": -11.834762573242188,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.62,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.62000000476837,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]