[
  {
    "molid": "mol33618",
    "smiles": "CN(C)CCc1nc2ccccc2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)CCc1nc2ccccc2[nH]1",
        "std_free_energy": -4.188605308532715,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)CCc1[nH]c2ccccc2[nH+]1",
        "std_free_energy": -7.441938877105713,
        "relative_population": 0.16580834199557262
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)CCc1nc2ccccc2[nH]1",
        "std_free_energy": -9.05756950378418,
        "relative_population": 0.8341916580044274
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]