[
  {
    "molid": "mol34965",
    "smiles": "CC1C(=O)NCN1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1C(=O)NCN1C",
        "std_free_energy": -6.673192977905273,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H]1C(=O)NC[NH+]1C",
        "std_free_energy": -4.7243852615356445,
        "relative_population": 0.99172636360819
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.65999984741211,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]