[
  {
    "molid": "mol26678",
    "smiles": "CC(=O)Nc1c2ccccc2nc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)Nc1c2ccccc2nc2ccccc12",
        "std_free_energy": -6.705744743347168,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(=[OH+])Nc1c2ccccc2nc2ccccc12",
        "std_free_energy": -0.13925492763519287,
        "relative_population": 0.22183437540914372
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(=O)Nc1c2ccccc2[nH+]c2ccccc12",
        "std_free_energy": -1.3942632675170898,
        "relative_population": 0.7781656245908563
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]