[
  {
    "molid": "mol37119",
    "smiles": "O=C(NCCCCNC(=O)c1ccccc1C(=O)OO)c1ccccc1C(=O)OO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NCCCCNC(=O)c1ccccc1C(=O)OO)c1ccccc1C(=O)OO",
        "std_free_energy": -2.884944438934326,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(NCCCCNC(=O)c1ccccc1C(=O)OO)c1ccccc1C(=O)O[O-]",
        "std_free_energy": -2.7569072246551514,
        "relative_population": 0.9194169950294359
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([N-]CCCCNC(=O)c1ccccc1C(=O)OO)c1ccccc1C(=O)OO",
        "std_free_energy": -0.3224552273750305,
        "relative_population": 0.08058300497056416
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.53000020980835,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]