[
  {
    "molid": "mol17812",
    "smiles": "N#Cc1ccc(O)c(-c2ccc(/C=C3\\SC(=O)NC3=O)o2)c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#Cc1ccc([O-])c(-c2ccc(/C=C3\\SC(=O)NC3=O)o2)c1",
        "std_free_energy": -3.8127999305725098,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "N#Cc1ccc([O-])c(-c2ccc(/C=C3\\SC(=O)[N-]C3=O)o2)c1",
        "std_free_energy": 3.9107115268707275,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]