[
  {
    "molid": "mol14260",
    "smiles": "O=Cc1cccnc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=Cc1cccnc1C(=O)O",
        "std_free_energy": -4.18738317489624,
        "relative_population": 0.9211861810702265
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=Cc1ccc[nH+]c1C(=O)[O-]",
        "std_free_energy": -1.7288093566894531,
        "relative_population": 0.07881381892977339
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=Cc1cccnc1C(=O)[O-]",
        "std_free_energy": -11.250091552734375,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]