[
  {
    "molid": "mol13112",
    "smiles": "CCN(CC)CC(C)=NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(CC)CC(C)=NO",
        "std_free_energy": -4.387688159942627,
        "relative_population": 0.6200420670161442
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC[NH+](CC)CC(C)=N[O-]",
        "std_free_energy": -3.897961378097534,
        "relative_population": 0.37995793298385583
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCN(CC)CC(C)=N[O-]",
        "std_free_energy": 5.649115562438965,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.98,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.9799995422363,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]