[
  {
    "molid": "mol35648",
    "smiles": "CCN(CC)Cc1c(O)c(O)c(CN(CC)CC)c2ccccc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCN(CC)Cc1c([O-])c(O)c(CN(CC)CC)c2ccccc12",
        "std_free_energy": 4.180299758911133,
        "relative_population": 0.9327754506901161
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCN(CC)Cc1c([O-])c([O-])c(C[NH+](CC)CC)c2ccccc12",
        "std_free_energy": 6.810425758361816,
        "relative_population": 0.06722454930988382
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCN(CC)Cc1c([O-])c([O-])c(CN(CC)CC)c2ccccc12",
        "std_free_energy": 14.815242767333984,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.039999961853,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]