[
  {
    "molid": "mol16753",
    "smiles": "Cc1c(OCCN)no[n+]1[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c(OCCN)no[n+]1[O-]",
        "std_free_energy": -3.3175947666168213,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1c(OCC[NH3+])no[n+]1[O-]",
        "std_free_energy": -7.780490875244141,
        "relative_population": 0.994580268765706
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]