[
  {
    "molid": "mol38076",
    "smiles": "C#CC(C)(C)NCC(O)CON=C(C1CC1)C1CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C#CC(C)(C)NC[C@@H](O)CON=C(C1CC1)C1CC1",
        "std_free_energy": -4.861470699310303,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C#CC(C)(C)NC[C@@H]([O-])CON=C(C1CC1)C1CC1",
        "std_free_energy": 10.811311721801758,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.3000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]