[
  {
    "molid": "mol18461",
    "smiles": "Cc1ccc(N2CCc3ccccc3C2)nc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(N2CCc3ccccc3C2)nc1",
        "std_free_energy": -4.691234588623047,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc([NH+]2CCc3ccccc3C2)nc1",
        "std_free_energy": -4.170764923095703,
        "relative_population": 0.3998190782538413
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc(N2CCc3ccccc3C2)[nH+]c1",
        "std_free_energy": -4.57698392868042,
        "relative_population": 0.6001809217461587
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]