[
  {
    "molid": "mol9927",
    "smiles": "CCCCOP(O)(=S)CC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCO[P@](O)(=S)CC",
        "std_free_energy": -2.6329641342163086,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.21,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]