[
  {
    "molid": "mol34028",
    "smiles": "NCC(=O)NCCP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]CC(=O)NCCP(=O)([O-])O",
        "std_free_energy": -10.589028358459473,
        "relative_population": 0.9999421311184616
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH3+]CC(=O)NCCP(=O)([O-])[O-]",
        "std_free_energy": -13.20538330078125,
        "relative_population": 0.9855924634582363
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.84000015258789,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]