[
  {
    "molid": "mol13867",
    "smiles": "NC(=O)c1c(CC(=O)O)n[nH]c1N",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "NC(=O)c1c(CC(=O)[O-])n[nH]c1[NH3+]",
        "std_free_energy": -2.4249839782714844,
        "relative_population": 0.18735008658290694
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "NC(=O)c1c(CC(=O)O)n[nH]c1N",
        "std_free_energy": -3.8483774662017822,
        "relative_population": 0.7777245987399931
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=O)c1c(CC(=O)[O-])n[nH]c1N",
        "std_free_energy": -11.271801948547363,
        "relative_population": 0.9998747774076036
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]