[
  {
    "molid": "mol37792",
    "smiles": "NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "NCC(=O)N1CCC[C@H]1C(=O)[N-]CC(=O)N1CCC[C@H]1C(=O)[N-]CC(=O)[O-]",
        "std_free_energy": 9.562728881835938,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]CC(=O)[O-]",
        "std_free_energy": 3.035416841506958,
        "relative_population": 0.6929958579026287
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "NCC(=O)N1CCC[C@H]1C(=O)[N-]CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]",
        "std_free_energy": 3.8526711463928223,
        "relative_population": 0.30605649749107106
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.6700000762939,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]