[
  {
    "molid": "mol14093",
    "smiles": "O=C(O)[C@@H]1CC[C@H](C(=O)O)S1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@@H]1CC[C@H](C(=O)O)S1",
        "std_free_energy": -0.7176045775413513,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)[C@@H]1CC[C@H](C(=O)[O-])S1",
        "std_free_energy": -8.508875846862793,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.34,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]