[
  {
    "molid": "mol11823",
    "smiles": "O=C(c1cccc(O)c1)c1ccc(O)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(c1cccc(O)c1)c1ccc(O)cc1O",
        "std_free_energy": -5.3547563552856445,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C(c1cccc([O-])c1)c1ccc([O-])cc1[O-]",
        "std_free_energy": 8.717982292175293,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(c1cccc([O-])c1)c1ccc(O)cc1O",
        "std_free_energy": -1.5110489130020142,
        "relative_population": 0.1064158293628169
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(c1cccc(O)c1)c1ccc([O-])cc1O",
        "std_free_energy": -3.3002941608428955,
        "relative_population": 0.6368916748240504
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(c1cccc(O)c1)c1ccc(O)cc1[O-]",
        "std_free_energy": -2.391573429107666,
        "relative_population": 0.25669249581313264
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C(c1cccc([O-])c1)c1ccc(O)cc1[O-]",
        "std_free_energy": 2.7402217388153076,
        "relative_population": 0.39613910147782105
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C(c1cccc(O)c1)c1ccc([O-])cc1[O-]",
        "std_free_energy": 4.2797441482543945,
        "relative_population": 0.08496530583273704
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C(c1cccc([O-])c1)c1ccc([O-])cc1O",
        "std_free_energy": 2.4702844619750977,
        "relative_population": 0.518895592689442
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.02,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.2,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.24,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]