[
  {
    "molid": "mol1425",
    "smiles": "Oc1c(Cl)cc(Cl)cc1Cc1cc(Cl)cc(Cl)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1c(Cl)cc(Cl)cc1Cc1cc(Cl)cc(Cl)c1O",
        "std_free_energy": -4.363670349121094,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1c(Cl)cc(Cl)cc1Cc1cc(Cl)cc(Cl)c1O",
        "std_free_energy": -3.4999141693115234,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1c(Cl)cc(Cl)cc1Cc1cc(Cl)cc(Cl)c1[O-]",
        "std_free_energy": 6.5804829597473145,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      },
      {
        "pka_value": 5.59999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.65,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.7,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]