[
  {
    "molid": "mol34341",
    "smiles": "O=C(NCCCO)C(=S)NCCCO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NCCCO)C(=S)NCCCO",
        "std_free_energy": -7.485435485839844,
        "relative_population": 0.9999999924575186
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C(NCCCO)C(=S)[N-]CCCO",
        "std_free_energy": 2.611633062362671,
        "relative_population": 0.8653408177703709
      },
      {
        "id": "-1_7",
        "charge": -1,
        "smiles": "O=C([N-]CCCO)C(=S)NCCCO",
        "std_free_energy": 4.546781539916992,
        "relative_population": 0.1249576601044352
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.6999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.7299995422363,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]