[
  {
    "molid": "mol25123",
    "smiles": "Cc1cc(O)c(O)c(C(=O)NCCO)[n+]1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc([O-])c(O)c(C(=O)NCCO)[n+]1C",
        "std_free_energy": -3.5443265438079834,
        "relative_population": 0.6112906546845205
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc(O)c([O-])c(C(=O)NCCO)[n+]1C",
        "std_free_energy": -3.091585874557495,
        "relative_population": 0.38870934531547946
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(O)c(O)c(C(=O)NCCO)[n+]1C",
        "std_free_energy": 3.757995367050171,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.67,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]