[
  {
    "molid": "mol20715",
    "smiles": "Cc1cc(=O)oc2c(F)c(O)c(F)c(F)c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(=O)oc2c(F)c(O)c(F)c(F)c12",
        "std_free_energy": -2.316171407699585,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(=O)oc2c(F)c([O-])c(F)c(F)c12",
        "std_free_energy": -5.642641544342041,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]