[
  {
    "molid": "mol35396",
    "smiles": "CCCCNC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCNC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1",
        "std_free_energy": -1.8136111497879028,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCC[NH2+]C(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1",
        "std_free_energy": -8.46914291381836,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.69999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]