[
  {
    "molid": "mol17410",
    "smiles": "c1ccc(CSc2ncc[nH]2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(CSc2ncc[nH]2)cc1",
        "std_free_energy": -5.816479682922363,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "c1ccc(CSc2ncc[n-]2)cc1",
        "std_free_energy": 6.290056228637695,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]