[
  {
    "molid": "mol14089",
    "smiles": "Fc1cc(F)c(F)c(S)c1F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Fc1cc(F)c(F)c(S)c1F",
        "std_free_energy": -1.477527141571045,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Fc1cc(F)c(F)c([S-])c1F",
        "std_free_energy": -10.238388061523438,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.75,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]