[
  {
    "molid": "mol12588",
    "smiles": "NC(=O)/C=C(\\O)c1cccnc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)/C=C(\\[O-])c1ccc[nH+]c1",
        "std_free_energy": -0.1137307733297348,
        "relative_population": 0.589090756345328
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "NC(=O)/C=C(\\O)c1cccnc1",
        "std_free_energy": 0.24647711217403412,
        "relative_population": 0.410909243654672
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=O)/C=C(\\[O-])c1cccnc1",
        "std_free_energy": 0.279055118560791,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.01,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]