[
  {
    "molid": "mol34150",
    "smiles": "CNCC(=O)NCC(=O)NCC(=O)NCC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH2+]CC(=O)NCC(=O)NCC(=O)NCC(=O)[O-]",
        "std_free_energy": -11.352415084838867,
        "relative_population": 0.9999372092270045
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH2+]CC(=O)NCC(=O)NCC(=O)NCC(=O)O",
        "std_free_energy": -2.7710559368133545,
        "relative_population": 0.9910647535866322
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.33999991416931,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]