[
  {
    "molid": "mol36432",
    "smiles": "CN(CCC(=O)O)c1ccncc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(CCC(=O)[O-])c1cc[nH+]cc1",
        "std_free_energy": -11.893362045288086,
        "relative_population": 0.8849866307449995
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](CCC(=O)[O-])c1ccncc1",
        "std_free_energy": -9.851293563842773,
        "relative_population": 0.11483588899598783
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(CCC(=O)[O-])c1ccncc1",
        "std_free_energy": -5.492422103881836,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]