[
  {
    "molid": "mol25934",
    "smiles": "COc1ccc(-c2nnnn2C)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(-c2nnnn2C)cc1",
        "std_free_energy": -6.828579902648926,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc(-c2n[nH+]nn2C)cc1",
        "std_free_energy": 12.477005004882812,
        "relative_population": 0.18161782748197183
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1ccc(-c2nn[nH+]n2C)cc1",
        "std_free_energy": 13.000020027160645,
        "relative_population": 0.10765047196170632
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "COc1ccc(-c2[nH+]nnn2C)cc1",
        "std_free_energy": 11.112614631652832,
        "relative_population": 0.7107317005563218
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -1.98,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]