[
  {
    "molid": "mol34494",
    "smiles": "COc1ccc(-c2cnc(-c3cc(C)nc(C)c3)o2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(-c2cnc(-c3cc(C)nc(C)c3)o2)cc1",
        "std_free_energy": -5.939304351806641,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc(-c2cnc(-c3cc(C)[nH+]c(C)c3)o2)cc1",
        "std_free_energy": -2.433565616607666,
        "relative_population": 0.8133154701280673
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1ccc(-c2c[nH+]c(-c3cc(C)nc(C)c3)o2)cc1",
        "std_free_energy": -0.9618667364120483,
        "relative_population": 0.18668452987193276
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.69999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]