[
  {
    "molid": "mol35442",
    "smiles": "CCCNC(=O)c1ccccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCNC(=O)c1ccccn1",
        "std_free_energy": -7.676473617553711,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCNC(=[OH+])c1ccccn1",
        "std_free_energy": 3.830296039581299,
        "relative_population": 0.10818653920743178
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCNC(=O)c1cccc[nH+]1",
        "std_free_energy": 1.7208960056304932,
        "relative_population": 0.8918134607925683
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.92999994754791,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]