[
  {
    "molid": "euroSAMPL-07",
    "smiles": "Br.Cc1ccc(-c2csc(N)n2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Br.Cc1ccc(-c2csc(N)n2)cc1",
        "std_free_energy": -6.15653133392334,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Br.Cc1ccc(-c2csc(N)[nH+]2)cc1",
        "std_free_energy": 1.259133219718933,
        "relative_population": 0.31813583526890393
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Br.Cc1ccc(-c2csc([NH3+])n2)cc1",
        "std_free_energy": 0.49678120017051697,
        "relative_population": 0.681864164731096
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.58,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "euroSAMPL1"
      }
    ]
  }
]