[
  {
    "molid": "mol399",
    "smiles": "Cc1ccc(/C(=C\\CN2CCCC2)c2ccccn2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(/C(=C\\CN2CCCC2)c2ccccn2)cc1",
        "std_free_energy": -3.384014844894409,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(/C(=C\\C[NH+]2CCCC2)c2ccccn2)cc1",
        "std_free_energy": -8.608465194702148,
        "relative_population": 0.9781539348075817
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.69,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]