[
  {
    "molid": "mol33873",
    "smiles": "N=C(N)SCC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "NC(=[NH2+])SCC(=O)[O-]",
        "std_free_energy": -10.935027122497559,
        "relative_population": 0.9999548734505523
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "NC(=[NH2+])SCC(=O)O",
        "std_free_energy": -3.05686092376709,
        "relative_population": 0.9983170350085532
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.29999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]