[
  {
    "molid": "mol34340",
    "smiles": "O=C(NCCO)C(=S)NCCO",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C(NCCO)C(=S)NCCO",
        "std_free_energy": -7.357509136199951,
        "relative_population": 0.9999999913763281
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(NCCO)C(=S)[N-]CCO",
        "std_free_energy": 1.8412684202194214,
        "relative_population": 0.9012592324137385
      },
      {
        "id": "-1_7",
        "charge": -1,
        "smiles": "O=C([N-]CCO)C(=S)NCCO",
        "std_free_energy": 4.102248668670654,
        "relative_population": 0.09395469369442484
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.3800001144409,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]