[
  {
    "molid": "mol13494",
    "smiles": "CC(CCN(C)C)=NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(CC[NH+](C)C)=N[O-]",
        "std_free_energy": -2.00496244430542,
        "relative_population": 0.12954066487152804
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(CCN(C)C)=NO",
        "std_free_energy": -3.9099886417388916,
        "relative_population": 0.870459335128472
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(CCN(C)C)=N[O-]",
        "std_free_energy": 6.700221061706543,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 11.1999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]