The small-molecule library screened across every project. Import more with a CSV containing name, smiles, and an optional source column.
| # | Name | SMILES | Source |
|---|---|---|---|
| 1 | Acetazolamide | CC(=O)Nc1nnc(s1)S(N)(=O)=O | demo |
| 2 | Dorzolamide | CCNC1CC(C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O | demo |
| 3 | Methazolamide | CC(=O)N=C1SC(=NN1C)S(N)(=O)=O | demo |
| 4 | Ethoxzolamide | CCOc1ccc2nc(sc2c1)S(N)(=O)=O | demo |
| 5 | Sulfanilamide | Nc1ccc(cc1)S(N)(=O)=O | demo |
| 6 | Benzenesulfonamide | NS(=O)(=O)c1ccccc1 | demo |
| 7 | Furosemide | OC(=O)c1cc(ccc1NCc1ccco1)S(N)(=O)=O | demo |
| 8 | Hydrochlorothiazide | NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O | demo |
| 9 | Aspirin | CC(=O)OC1=CC=CC=C1C(=O)O | demo |
| 10 | Ibuprofen | CC(C)CC1=CC=C(C=C1)C(C)C(=O)O | demo |
| 11 | Paracetamol | CC(=O)NC1=CC=C(C=C1)O | demo |
| 12 | Caffeine | CN1C=NC2=C1C(=O)N(C(=O)N2C)C | demo |
| 13 | Naproxen | COC1=CC2=CC=C(C=C2C=C1)C(C)C(=O)O | demo |
| 14 | Celecoxib | CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F | demo |
| 15 | Imatinib | CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 | demo |
| 16 | Gefitinib | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 | demo |