[
  {
    "molid": "mol35076",
    "smiles": "NC(CO)C(=O)NCC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@H](CO)C(=O)NCC(=O)[O-]",
        "std_free_energy": -10.76026439666748,
        "relative_population": 0.9997707750167454
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+][C@H](CO)C(=O)NCC(=O)O",
        "std_free_energy": -2.2149858474731445,
        "relative_population": 0.988711041692473
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N[C@H](CO)C(=O)NCC(=O)[O-]",
        "std_free_energy": -9.016613960266113,
        "relative_population": 0.9999693193483481
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.32999992370606,
        "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"
      }
    ]
  }
]