[
  {
    "molid": "mol16756",
    "smiles": "CN(C)Cc1no[n+]([O-])c1C#N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)Cc1no[n+]([O-])c1C#N",
        "std_free_energy": -6.50020170211792,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[NH+](C)Cc1no[n+]([O-])c1C#N",
        "std_free_energy": -3.057086944580078,
        "relative_population": 0.980090474154846
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.82,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]