[
  {
    "molid": "mol17935",
    "smiles": "Cc1cc2c(Cc3ccc(/C=C/C(=O)O)cc3)c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2cc1O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc2c(Cc3ccc(/C=C/C(=O)[O-])cc3)c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2cc1O",
        "std_free_energy": -8.445403099060059,
        "relative_population": 0.9960235529564994
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc2c(Cc3ccc(/C=C/C(=O)[O-])cc3)c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2cc1[O-]",
        "std_free_energy": -2.846432685852051,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.6,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]