[
  {
    "molid": "mol31876",
    "smiles": "O=S(=O)(/C=C/c1ccc(O)cc1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=S(=O)(/C=C/c1ccc(O)cc1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl",
        "std_free_energy": -5.322322368621826,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)(/C=C/c1ccc([O-])cc1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl",
        "std_free_energy": -2.411935329437256,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.64,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.6399998664856,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]