[
  {
    "molid": "mol17932",
    "smiles": "Cc1cc(F)ccc1-c1c(Cc2ccc(/C=C/C(=O)O)cc2)c2c(F)cc(O)cc2oc1=O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(F)ccc1-c1c(Cc2ccc(/C=C/C(=O)[O-])cc2)c2c(F)cc(O)cc2oc1=O",
        "std_free_energy": -8.096949577331543,
        "relative_population": 0.9928873118008489
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc(F)ccc1-c1c(Cc2ccc(/C=C/C(=O)[O-])cc2)c2c(F)cc([O-])cc2oc1=O",
        "std_free_energy": -3.3326704502105713,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.2,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]