[
  {
    "molid": "mol34422",
    "smiles": "Cc1cc(C(=O)O)c(O)c(S(=O)(=O)O)c1",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)[O-])c1",
        "std_free_energy": -1.485655665397644,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(C(=O)O)c(O)c(S(=O)(=O)[O-])c1",
        "std_free_energy": -4.89815616607666,
        "relative_population": 0.5522584373044891
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)O)c1",
        "std_free_energy": -4.676624298095703,
        "relative_population": 0.44251937652885315
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[O-])c1",
        "std_free_energy": -14.629545211791992,
        "relative_population": 0.9999499515497843
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.97000002861023,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 14.1499996185303,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]