[
  {
    "molid": "mol38183",
    "smiles": "CN1C(=O)CN=C(c2ccccc2)c2cc(N)ccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1C(=O)CN=C(c2ccccc2)c2cc(N)ccc21",
        "std_free_energy": -6.2198357582092285,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN1C(=O)C[NH+]=C(c2ccccc2)c2cc(N)ccc21",
        "std_free_energy": -2.6801085472106934,
        "relative_population": 0.720308760486654
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN1C(=O)CN=C(c2ccccc2)c2cc([NH3+])ccc21",
        "std_free_energy": -1.6373752355575562,
        "relative_population": 0.2539015624375013
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.23999977111816,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]