[
  {
    "molid": "mol7537",
    "smiles": "CC(=O)Nc1nc(O)c(NC(C)=O)c(NC(C)=O)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)Nc1nc(O)c(NC(C)=O)c(NC(C)=O)n1",
        "std_free_energy": -7.230206489562988,
        "relative_population": 0.9999995668065518
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(=O)Nc1nc(O)c(NC(C)=O)c(NC(C)=O)[nH+]1",
        "std_free_energy": 6.63576078414917,
        "relative_population": 0.46475519500813284
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(=O)Nc1nc(NC(C)=O)c(NC(C)=O)c(O)[nH+]1",
        "std_free_energy": 6.494547367095947,
        "relative_population": 0.5352448049918672
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CC(=O)Nc1[nH+]c(O)c(NC(C)=O)c(NC(C)=O)[nH+]1",
        "std_free_energy": 19.852596282958984,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)Nc1nc([O-])c(NC(C)=O)c(NC(C)=O)n1",
        "std_free_energy": -1.9441239833831787,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.65,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": -0.12,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]