[
  {
    "molid": "mol13810",
    "smiles": "Cc1ccc(SC2CC(=O)N2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(S[C@H]2CC(=O)N2)cc1",
        "std_free_energy": -7.061381816864014,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(S[C@H]2CC(=O)[N-]2)cc1",
        "std_free_energy": 8.958791732788086,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.3999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]