[
  {
    "molid": "euroSAMPL-12",
    "smiles": "CC(=O)Nc1cc(C(=O)O)ccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)Nc1cc(C(=O)O)ccn1",
        "std_free_energy": -4.766022682189941,
        "relative_population": 0.21800507273218575
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(=O)Nc1cc(C(=O)[O-])cc[nH+]1",
        "std_free_energy": -6.0433526039123535,
        "relative_population": 0.7819949272678143
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)Nc1cc(C(=O)[O-])ccn1",
        "std_free_energy": -11.676523208618164,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.67,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "euroSAMPL1"
      }
    ]
  }
]