[
  {
    "molid": "mol31320",
    "smiles": "OC(c1c(F)c(F)c(F)c(F)c1F)(C(F)(F)F)C(O)(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-][C@](c1c(F)c(F)c(F)c(F)c1F)(C(F)(F)F)[C@](O)(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F",
        "std_free_energy": -1.1775896549224854,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-][C@](c1c(F)c(F)c(F)c(F)c1F)(C(F)(F)F)[C@]([O-])(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F",
        "std_free_energy": 1.8629108667373657,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.85,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]