[
  {
    "molid": "mol34950",
    "smiles": "CC1=NN(c2nc(C)c(C)c(O)n2)C(=O)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=NN(c2nc(C)c(C)c(O)n2)C(=O)C1",
        "std_free_energy": -6.910906791687012,
        "relative_population": 0.9998762096787656
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1=NN(c2nc(C)c(C)c([O-])n2)C(=O)C1",
        "std_free_energy": -1.4021073579788208,
        "relative_population": 0.823273550101745
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1[cH-]c(=O)n(-c2nc(C)c(C)c(O)n2)n1",
        "std_free_energy": 0.13657811284065247,
        "relative_population": 0.17672644989825495
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.48000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]