[
  {
    "molid": "mol38201",
    "smiles": "CSCC(N)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CSC[C@H]([NH3+])C(=O)[O-]",
        "std_free_energy": -11.220824241638184,
        "relative_population": 0.9999290153823346
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CSC[C@H]([NH3+])C(=O)O",
        "std_free_energy": -1.515661358833313,
        "relative_population": 0.9997503566656435
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.71000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 1.94000005722046,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]