[
  {
    "molid": "mol15430",
    "smiles": "Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)O)cc2)n1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)O)cc2)n1",
        "std_free_energy": -4.806069374084473,
        "relative_population": 0.9998768779847432
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)O)cc2)[nH+]1",
        "std_free_energy": 6.369542121887207,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.59,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]