[
  {
    "molid": "mol14477",
    "smiles": "CN(C)Cc1ccc(NC(=O)/C=N/O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH+](C)Cc1ccc(NC(=O)/C=N/[O-])cc1",
        "std_free_energy": -3.941640615463257,
        "relative_population": 0.4701637278459568
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)Cc1ccc(NC(=O)/C=N/O)cc1",
        "std_free_energy": -4.061127662658691,
        "relative_population": 0.5298362721540433
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)Cc1ccc(NC(=O)/C=N/O)cc1",
        "std_free_energy": -9.283563613891602,
        "relative_population": 0.9817535911582904
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)Cc1ccc(NC(=O)/C=N/[O-])cc1",
        "std_free_energy": 1.9171862602233887,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.56,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.43,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]