[
  {
    "molid": "mol29327",
    "smiles": "C=CC(NC(C)=S)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=C[C@H](NC(C)=S)C(=O)O",
        "std_free_energy": -2.6487679481506348,
        "relative_population": 0.9988142853890644
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C=C[C@H](NC(C)=S)C(=O)[O-]",
        "std_free_energy": -11.418781280517578,
        "relative_population": 0.9999886301092018
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.84,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]