2-Dimensional structure of drugs proposed as therapeutic agents to treat COVID-19 during several drug repurposing studies. The SDF file for these molecules can be found in ESI.
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| Carprofen | Celecoxib | Lopinavir | Carfilzomib |
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| Eravacycline | Valrubicin | Elbasvir | Ritonavir |
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| Caffeine | Linagliptin | Indinavir | Ceftin |
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| Ivermectin | Neomycin | Vasopressin-tennate | Amikacin |
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| Remdesivir | Saquinavir | Darunavir | Flavone |
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| Coumarin | Quercetin-3-O-rhamnoside | Thearubigin | Ergotamine |
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| Dihydroergotamine | Bromocriptine | Dutasteride | Conivaptan |
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| Paliperidone | Tipranavir | Remdesivir derivative | IN-6 |
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| IN-17 | Alectinib | Simeprevir | Paritaprevir |
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| Sarsasapogenin | Ursolic acid | Folic acid | Telmisartan |
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| Methotrexate | Bosentan | Lapatinib | Gefitinib |
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| Ketoconazole | Carvedilol | Glyburide | Avanafil |
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| Lumacaftor | Cepharanthine | Edoxudine | Esculin |
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| Acarbose | Glycyrrhizic acid | Galangin | Gingerenone A |
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| Shogaol | GR 127935 | GNF5 | RS504393 |
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| TNP | Eptifibatide acetate | KT203 | BMS195614 |
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| GSK1838705A | Metronidazole | Tolnaftate | Benzocaine |
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| Halcinonide | Lansoprazole | Ebselen | Sulfamonomethoxine |
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| Lidocaine | Histone deacetylase butyrate (phenylbutyric acid) | HSP 90 inhibitor (radicicol) | Emetine |
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| Ouabain | Digoxin | Niclosamide | Homoharringtonine |
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| Mefloquine | Perhexiline | Thioridazine | Thapsigargin |
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| Azithromycin |