[
  {
    "molid": "mol13400",
    "smiles": "Cc1nn(C)c(O)c1-c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nn(C)c(O)c1-c1ccccc1",
        "std_free_energy": -7.1652607917785645,
        "relative_population": 0.9999996150564614
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nn(C)c([O-])c1-c1ccccc1",
        "std_free_energy": 3.7282137870788574,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]