[
  {
    "molid": "mol12469",
    "smiles": "CC(CN(C)C)=NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(CN(C)C)=NO",
        "std_free_energy": -4.904936790466309,
        "relative_population": 0.8476088078333757
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C[NH+](C)C)=N[O-]",
        "std_free_energy": -3.1889684200286865,
        "relative_population": 0.15239119216662428
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(CN(C)C)=N[O-]",
        "std_free_energy": 5.09346342086792,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.8999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]