[
  {
    "molid": "mol32297",
    "smiles": "CCNC(=O)C=C(S)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCNC(=O)C=C(S)c1ccccc1",
        "std_free_energy": -4.1522932052612305,
        "relative_population": 0.999969686216545
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCNC(=[OH+])C=C(S)c1ccccc1",
        "std_free_energy": 9.178781509399414,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.73,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]