[
  {
    "molid": "mol35836",
    "smiles": "CCOC(=N)CCP(=O)(OCC)OCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=N)CCP(=O)(OCC)OCC",
        "std_free_energy": -4.378507614135742,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOC(=N)CCP(=[OH+])(OCC)OCC",
        "std_free_energy": -1.8827950954437256,
        "relative_population": 0.06803121377984328
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOC(=[NH2+])CCP(=O)(OCC)OCC",
        "std_free_energy": -4.500127792358398,
        "relative_population": 0.9319687862201568
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.73000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]