[
  {
    "molid": "mol14397",
    "smiles": "Cc1c(Cc2c(C)n(C)[n+](-c3ccccc3)c2O)c(=O)n(-c2ccccc2)n1C",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1c(Cc2c(C)n(C)[n+](-c3ccccc3)c2O)c(=O)n(-c2ccccc2)n1C",
        "std_free_energy": 5.32355260848999,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1c(Cc2c(C)n(C)[n+](-c3ccccc3)c2O)c(=[OH+])n(-c2ccccc2)n1C",
        "std_free_energy": 13.894393920898438,
        "relative_population": 0.22953976691442013
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "Cc1c(Cc2c(C)n(C)[n+](-c3ccccc3)c2[OH2+])c(=O)n(-c2ccccc2)n1C",
        "std_free_energy": 12.68348217010498,
        "relative_population": 0.7704602330855799
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.51,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]