[
  {
    "molid": "mol37152",
    "smiles": "O=P(O)(O)CCN1CCN(CCP(=O)(O)O)CCN(CCP(=O)(O)O)CCN(CCP(=O)(O)O)CC1",
    "microspecies": [
      {
        "id": "3_5",
        "charge": 3,
        "smiles": "O=P([O-])(O)CC[NH+]1CC[NH+](CCP(=O)(O)O)CC[NH+](CCP(=O)(O)O)CC[NH+](CCP(=O)(O)O)CC1",
        "std_free_energy": -0.885114848613739,
        "relative_population": 0.9972593253737063
      },
      {
        "id": "4_10",
        "charge": 4,
        "smiles": "O=P(O)(O)CC[NH+]1CC[NH+](CCP(=O)(O)O)CC[NH+](CCP(=O)(O)O)CC[NH+](CCP(=O)(O)O)CC1",
        "std_free_energy": 6.585837364196777,
        "relative_population": 0.9999921509336599
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 4,
        "charge_state_post": 3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]