[
  {
    "molid": "mol33946",
    "smiles": "NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)[O-]",
        "std_free_energy": -11.025236129760742,
        "relative_population": 0.9998832052631288
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "[NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O",
        "std_free_energy": -2.3287529945373535,
        "relative_population": 0.9893585029901797
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)[O-]",
        "std_free_energy": -8.57091999053955,
        "relative_population": 0.9996268188388464
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.02000045776367,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.09999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]