[
  {
    "molid": "mol29372",
    "smiles": "O=C(O)C1CSC(c2ccccc2O)N1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])[C@@H]1CS[C@@H](c2ccccc2O)[NH2+]1",
        "std_free_energy": -8.747035026550293,
        "relative_population": 0.994163842113656
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]1CS[C@@H](c2ccccc2O)N1",
        "std_free_energy": -10.439966201782227,
        "relative_population": 0.9993630659800149
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.67,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]