[
  {
    "molid": "mol37411",
    "smiles": "NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "NCC(=O)N1CCC[C@H]1C(=O)[N-]CC(=O)N1CCC[C@H]1C(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-]",
        "std_free_energy": 10.093235969543457,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-]",
        "std_free_energy": 2.7985382080078125,
        "relative_population": 0.5895893845456107
      },
      {
        "id": "-3_3",
        "charge": -3,
        "smiles": "NCC(=O)N1CCC[C@H]1C(=O)[N-]CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]",
        "std_free_energy": 3.1937334537506104,
        "relative_population": 0.39711705673696
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.9300003051758,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]