[
  {
    "molid": "mol25548",
    "smiles": "Cc1c(N(C)C)c(O)n(-c2ccccc2)[n+]1C",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1c([NH+](C)C)c([O-])n(-c2ccccc2)[n+]1C",
        "std_free_energy": -0.3672281801700592,
        "relative_population": 0.8360974160383756
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1c(N(C)C)c(O)n(-c2ccccc2)[n+]1C",
        "std_free_energy": 1.262244701385498,
        "relative_population": 0.16390258396162433
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1c([NH+](C)C)c(O)n(-c2ccccc2)[n+]1C",
        "std_free_energy": 8.896642684936523,
        "relative_population": 0.9978199509453852
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.22,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]