[
  {
    "molid": "mol18961",
    "smiles": "CCCC(C)OC[n+]1ccn(C)c1/C=N/O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC[C@@H](C)OC[n+]1ccn(C)c1/C=N/[O-]",
        "std_free_energy": -3.5593042373657227,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC[C@@H](C)OC[n+]1ccn(C)c1/C=N/O",
        "std_free_energy": -5.622239112854004,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.02,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]