[
  {
    "molid": "mol17003",
    "smiles": "CCOC(=O)c1ccccc1NC(=O)C1CN(C)C(=O)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)c1ccccc1NC(=O)[C@@H]1CN(C)C(=O)C1=O",
        "std_free_energy": -6.165925025939941,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)c1ccccc1NC(=O)[C-]1CN(C)C(=O)C1=O",
        "std_free_energy": 1.2395216226577759,
        "relative_population": 0.9346766229079172
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCOC(=O)c1ccccc1[N-]C(=O)[C@@H]1CN(C)C(=O)C1=O",
        "std_free_energy": 3.900372266769409,
        "relative_population": 0.06532337709208273
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.49,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]