[
  {
    "molid": "mol33919",
    "smiles": "O=P(O)(O)CN(CCO)CP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P([O-])(O)C[NH+](CCO)CP(=O)(O)O",
        "std_free_energy": -5.955050468444824,
        "relative_population": 0.9744695975360901
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=P([O-])(O)C[NH+](CCO)CP(=O)([O-])O",
        "std_free_energy": -10.948163986206055,
        "relative_population": 0.35495709260688096
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=P([O-])(O)CN(CCO)CP(=O)(O)O",
        "std_free_energy": -11.260488510131836,
        "relative_population": 0.48508369361285336
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "O=P([O-])([O-])C[NH+](CCO)CP(=O)(O)O",
        "std_free_energy": -10.150921821594238,
        "relative_population": 0.15993296387578648
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.02999997138977,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]