[
  {
    "molid": "mol387",
    "smiles": "c1cnc(N2CCN(C3CC4CCC3C4)CC2)nc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1cnc(N2CCN([C@@H]3C[C@@H]4CC[C@H]3C4)CC2)nc1",
        "std_free_energy": -3.9184794425964355,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1cnc(N2CC[NH+]([C@@H]3C[C@@H]4CC[C@H]3C4)CC2)nc1",
        "std_free_energy": -9.066778182983398,
        "relative_population": 0.9287225149292839
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "c1cnc([NH+]2CCN([C@@H]3C[C@@H]4CC[C@H]3C4)CC2)nc1",
        "std_free_energy": -6.362339973449707,
        "relative_population": 0.06213887456031604
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]