[
  {
    "molid": "mol13921",
    "smiles": "CCNCC(=O)c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[NH2+]CC(=O)c1ccc([O-])cc1",
        "std_free_energy": -3.8199563026428223,
        "relative_population": 0.5908373045892131
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCNCC(=O)c1ccc(O)cc1",
        "std_free_energy": -3.452528476715088,
        "relative_population": 0.40916269541078687
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCNCC(=O)c1ccc([O-])cc1",
        "std_free_energy": 2.4277899265289307,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.77,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]