[
  {
    "molid": "mol38455",
    "smiles": "NCC1CC(O)=NO1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]C[C@H]1CC([O-])=NO1",
        "std_free_energy": -6.9120073318481445,
        "relative_population": 0.9658297871566854
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]C[C@H]1CC(O)=NO1",
        "std_free_energy": -4.9434661865234375,
        "relative_population": 0.9687873715875659
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]