[
  {
    "molid": "mol37394",
    "smiles": "CNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1",
        "std_free_energy": -6.7512688636779785,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[N-]C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1",
        "std_free_energy": 6.63349723815918,
        "relative_population": 0.33339097971621107
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CNC(=O)[C@H](CC(=O)OCc1ccccc1)[N-]C(=O)OCc1ccccc1",
        "std_free_energy": 5.940609455108643,
        "relative_population": 0.666609020283789
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.3999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]