[
  {
    "molid": "mol32506",
    "smiles": "CN(C)C(=O)C=C(O)c1ccncc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)C(=O)C=C(O)c1ccncc1",
        "std_free_energy": -3.2409300804138184,
        "relative_population": 0.6216986014253373
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)C(=O)C=C([O-])c1cc[nH+]cc1",
        "std_free_energy": -2.7441658973693848,
        "relative_population": 0.3783013985746627
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)C(=O)C=C([O-])c1ccncc1",
        "std_free_energy": -1.9992072582244873,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.3200002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.32000017166138,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]