[
  {
    "molid": "mol26486",
    "smiles": "COC(=O)Nc1nc2ccccc2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)Nc1nc2ccccc2[nH]1",
        "std_free_energy": -7.193231582641602,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COC(=O)Nc1[nH]c2ccccc2[nH+]1",
        "std_free_energy": 0.8714017271995544,
        "relative_population": 0.9963295232358396
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]