[
  {
    "molid": "mol35206",
    "smiles": "CCCCCCCCCCCCN(C)Cc1cccc(C)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCCCCCCN(C)Cc1cccc(C)n1",
        "std_free_energy": -4.553970813751221,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCCCCCCCCCN(C)Cc1cccc(C)[nH+]1",
        "std_free_energy": -4.7537102699279785,
        "relative_population": 0.05523538121994575
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCCCCCCCCCC[NH+](C)Cc1cccc(C)n1",
        "std_free_energy": -7.593042373657227,
        "relative_population": 0.9447646187800542
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.30999994277954,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]