[
  {
    "molid": "mol397",
    "smiles": "Cc1ccc(C)c(N2CCN(C3CCCC(C)C3)CC2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(C)c(N2CCN([C@H]3CCC[C@@H](C)C3)CC2)c1",
        "std_free_energy": -3.6731390953063965,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc(C)c(N2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c1",
        "std_free_energy": -8.518999099731445,
        "relative_population": 0.985174752896288
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.163,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.16,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AvLiLuMoVe"
      }
    ]
  }
]