[
  {
    "molid": "mol37054",
    "smiles": "c1cc(CC[N+]23CCC(CC2)CC3)ccn1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1cc(CC[N+]23CCC(CC2)CC3)ccn1",
        "std_free_energy": -7.469503402709961,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "c1cc(CC[N+]23CCC(CC2)CC3)cc[nH+]1",
        "std_free_energy": -2.5178897380828857,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.84999990463257,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]