[
  {
    "molid": "mol25787",
    "smiles": "CNc1nc(C)c(C)nc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNc1nc(C)c(C)nc1C(=O)O",
        "std_free_energy": -5.919144630432129,
        "relative_population": 0.15299231311008982
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CNc1[nH+]c(C)c(C)nc1C(=O)[O-]",
        "std_free_energy": -5.321319580078125,
        "relative_population": 0.08414677779233018
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C[NH2+]c1nc(C)c(C)nc1C(=O)[O-]",
        "std_free_energy": -7.509099006652832,
        "relative_population": 0.7502016636398887
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CNc1nc(C)c(C)nc1C(=O)[O-]",
        "std_free_energy": -11.126773834228516,
        "relative_population": 0.9999890051110029
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.82,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]