[
  {
    "molid": "mol35837",
    "smiles": "CCOC(=N)CP(=O)(OCC)OCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=N)CP(=O)(OCC)OCC",
        "std_free_energy": -4.493053913116455,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOC(=N)CP(=[OH+])(OCC)OCC",
        "std_free_energy": -2.362990140914917,
        "relative_population": 0.12428774971659719
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOC(=[NH2+])CP(=O)(OCC)OCC",
        "std_free_energy": -4.315428256988525,
        "relative_population": 0.8757122502834028
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.92000007629395,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]