[
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    "molid": "mol31936",
    "smiles": "Oc1nc2cccc(CCNCCCCCCNCCc3ccc(O)c4nc(O)sc34)c2s1",
    "microspecies": [
      {
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        "charge": 1,
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        "std_free_energy": -6.480827808380127,
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        "id": "1_14",
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        "std_free_energy": -5.73035192489624,
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      {
        "id": "1_18",
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        "smiles": "Oc1nc2cccc(CCNCCCCCC[NH2+]CCc3ccc(O)c4nc(O)sc34)c2s1",
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      {
        "id": "2_18",
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        "smiles": "Oc1nc2cccc(CC[NH2+]CCCCCC[NH2+]CCc3ccc(O)c4nc(O)sc34)c2s1",
        "std_free_energy": -7.462541103363037,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]