[
  {
    "molid": "mol13647",
    "smiles": "Cc1ncsc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ncsc1C(=O)O",
        "std_free_energy": -3.7948660850524902,
        "relative_population": 0.9921217755936313
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ncsc1C(=O)[O-]",
        "std_free_energy": -11.132895469665527,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.54,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.50999999046326,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.5699999332428,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.57,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]