[
  {
    "molid": "mol28944",
    "smiles": "OP(O)(=S)Cc1ccccc1",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 6.41,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]