[
  {
    "molid": "euroSAMPL-29",
    "smiles": "Cc1ccc(-n2nnc(C(=O)O)c2C2CC2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(-n2nnc(C(=O)O)c2C2CC2)cc1",
        "std_free_energy": -3.5898499488830566,
        "relative_population": 0.9999956362115258
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(-n2nnc(C(=O)[O-])c2C2CC2)cc1",
        "std_free_energy": -11.331811904907227,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.28,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "euroSAMPL1"
      }
    ]
  }
]