[
  {
    "molid": "mol19276",
    "smiles": "Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O",
        "std_free_energy": -2.7990660667419434,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O",
        "std_free_energy": -4.379327774047852,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1[O-]",
        "std_free_energy": 5.028384685516357,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.82000017166138,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]