[
  {
    "molid": "euroSAMPL-05",
    "smiles": "NCc1ccc(C(N)=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCc1ccc(C(N)=O)cc1",
        "std_free_energy": -3.6934103965759277,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NC(=O)c1ccc(C[NH3+])cc1",
        "std_free_energy": -9.120725631713867,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.99,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "euroSAMPL1"
      }
    ]
  }
]