[
  {
    "molid": "mol34286",
    "smiles": "CCN(CP(=O)(O)O)CP(=O)(O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[NH+](CP(=O)([O-])O)CP(=O)([O-])O",
        "std_free_energy": -11.063292503356934,
        "relative_population": 0.6408580067464081
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC[NH+](CP(=O)([O-])[O-])CP(=O)(O)O",
        "std_free_energy": -9.854509353637695,
        "relative_population": 0.1913347983160588
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "CCN(CP(=O)([O-])O)CP(=O)(O)O",
        "std_free_energy": -9.723260879516602,
        "relative_population": 0.16780058665870137
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "CC[NH+](CP(=O)([O-])[O-])CP(=O)([O-])O",
        "std_free_energy": -13.567769050598145,
        "relative_population": 0.9744290693193093
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.67999982833862,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]