[
  {
    "molid": "euroSAMPL-35",
    "smiles": "Nc1ccc(-c2ccccc2)cn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(-c2ccccc2)cn1",
        "std_free_energy": -5.276652812957764,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ccc(-c2ccccc2)c[nH+]1",
        "std_free_energy": -4.53875732421875,
        "relative_population": 0.7060201370616441
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1ccc(-c2ccccc2)cn1",
        "std_free_energy": -3.6626248359680176,
        "relative_population": 0.29397986293835576
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "euroSAMPL1"
      }
    ]
  }
]