[
  {
    "molid": "mol28184",
    "smiles": "O=C(O)CCCS",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CCCS",
        "std_free_energy": -9.040772438049316,
        "relative_population": 0.9998497831365885
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CCC[S-]",
        "std_free_energy": -0.2881205081939697,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.06,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]