These compounds are known NOT to form
aggregates:
| Name | Smile string | Reference |
|---|
| Pnu0030510 | O=c1n(sc2ccccc12)c3ccccc3 | Seidler et. al., 2003 | | Pnu0026311a | CCOc1ccc2nc3cc(N)ccc3c(N)c2c1 | Seidler et. al., 2003 | | Pnu0019542e | CN1CCc2cccc3c2C1Cc4ccc(O)c(O)c43 | Seidler et. al., 2003 | | Pd98059 | COc1cccc(c1N)c2cc(=O)c3ccccc3o2 | Seidler et. al., 2003 | | Ha-1077 | O=S(=O)(N1CCCNCC1)c2cccc3cnccc23 | Seidler et. al., 2003 | | Guanabenz | NC(=[NH2+])NN=Cc1c(Cl)cccc1Cl | Seidler et. al., 2003 | | Ans | [O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12 | Seidler et. al., 2003 | | Tripelennamine | CN(C)CCN(Cc1ccccc1)c2ccccn2 | Seidler et. al., 2003 | | Trimethoprim | COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC | Seidler et. al., 2003 | | Triamterene | Nc1nc(N)c2nc(c(N)nc2n1)c3ccccc3 | Seidler et. al., 2003 | | Torasemide | CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(C)c2 | Seidler et. al., 2003 | | Thalidomide | O=C1N(C2CCC(=O)NC2=O)C(=O)c3ccccc13 | Seidler et. al., 2003 | | Tetraethylene_pentamine | NCCNCCNCCNCCN | Seidler et. al., 2003 | | Tacrine | Nc1c2CCCCc2nc3ccccc13 | Seidler et. al., 2003 | | Sulfinpyrazone | O=C1C(CCS(=O)c2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4 | Seidler et. al., 2003 | | Sulfadiazine | Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2 | Seidler et. al., 2003 | | Riluzole | Nc1nc2ccc(OC(F)(F)F)cc2s1 | Seidler et. al., 2003 | | Riboflavin | Cc1cc2nc3c(=O)[nH]c(=O)nc3n(C(O)CC(O)C(O)CO)c2cc1C | Seidler et. al., 2003 | | Propantheline_bromide | [Br-].CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C( )C | Seidler et. al., 2003 | | Primidone | CCC1(C(=O)NCNC1=O)c2ccccc2 | Seidler et. al., 2003 | | Prazocin | COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4ccco4 | Seidler et. al., 2003 | | Phenazopyridine | Nc1ccc(N=Nc2ccccc2)c(N)n1 | Seidler et. al., 2003 | | Ondansetron | Cc1nccn1CC2CCc3c(C2=O)c4ccccc4n3C | Seidler et. al., 2003 | | Omeprazole | COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(C)c(OC)c3C | Seidler et. al., 2003 | | Nitrofurantoin | O.[O-][N+](=C)c1ccc(C=NN2CC(=O)NC2=O)o1 | Seidler et. al., 2003 | | Mebendazole | COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccccc3 | Seidler et. al., 2003 | | Lidocaine | CCN(CC)CC(=O)Nc1c(C)cccc1C | Seidler et. al., 2003 | | Leflunomide | Cc1oncc1C(=O)Nc2ccc(cc2)C(F)(F)F | Seidler et. al., 2003 | | Lansoprazole | Cc1c(CS(=O)c2nc3ccccc3[nH]2)nccc1OCC(F)(F)F | Seidler et. al., 2003 | | Lamotrigine | Nc1nnc(c(N)n1)c2cccc(Cl)c2Cl | Seidler et. al., 2003 | | Imidazole | c1c[nH]cn1 | Seidler et. al., 2003 | | Guaifenesin | COc1ccccc1OCC(O)CO | Seidler et. al., 2003 | | Furosemide | NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl | Seidler et. al., 2003 | | Flutamide | CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(c1)C(F)(F)F | Seidler et. al., 2003 | | Fluconazole | OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F | Seidler et. al., 2003 | | Etodolac | CCc1cccc2c3CCOC(CC)(CC(=O)O)c3[nH]c12 | Seidler et. al., 2003 | | Diphenhydramine | CN(C)CCOC(c1ccccc1)c2ccccc2 | Seidler et. al., 2003 | | Cinoxacin | CCn1nc(C(=O)O)c(=O)c2cc3OCOc3cc12 | Seidler et. al., 2003 | | Chlorthalidone | NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc32 | Seidler et. al., 2003 | | Chlorambucil | OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl | Seidler et. al., 2003 | | Carisoprodol | CCCC(C)(COC(=O)N)COC(=O)NC(C)C | Seidler et. al., 2003 | | Carbamazepine | NC(=O)N1c2ccccc2C=Cc3ccccc13 | Seidler et. al., 2003 | | Azelaic_acid | OC(=O)CCCCCCCC(=O)O | Seidler et. al., 2003 | | Amrinone | Nc1cc(c[nH]c1=O)c2ccncc2 | Seidler et. al., 2003 | | 5-aminosalicylic_acid | Nc1ccc(O)c(c1)C(=O)O | Seidler et. al., 2003 | | 4-aminophenyl_sulfone | Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2 | Seidler et. al., 2003 | | Sb203580 | CS(=O)c1ccc(cc1)c2nc(c([nH]2)c3ccncc3)c4ccc(F)cc4 | Seidler et. al., 2003 | | Indomethacin | COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)O)c2c1 | Seidler et. al., 2003 | | Gemfibrozil | Cc1ccc(C)c(OCCCC(C)(C)CC(=O)O)c1 | Seidler et. al., 2003 | | Diflunisal | OC(=O)c1cc(ccc1O)c2cc(F)cc(F)c2 | Seidler et. al., 2003 | | Protriptyline | CNCCCC1c2ccccc2C=Cc3ccccc13 | Seidler et. al., 2003 | | Pnu0099279e | Cc1ccc(cc1)c2cc3c(nc(nc3n2CCN4CCNCC4)N5CCCC5)N6CCC 6 | Seidler et. al., 2003 | | Pnu0081440e | COc1c(CCCCN2CCN(CC2)c3ncccn3)ccc4ccccc14 | Seidler et. al., 2003 | | Pnu0057285b | Fc1ccc(OCCCN2CCCC(C2)c3ccc(F)cc3)cc1 | Seidler et. al., 2003 | | Pnu0007216 | CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F | Seidler et. al., 2003 | | Ketoconazole | CC(=O)N1CCN(CC1)c2ccc(OCC3COC(Cn4ccnc4)(O3)c5ccc(C )cc5Cl)cc2 | Seidler et. al., 2003 | | Pnu0038178a | [O-][N+](=O)c1ccc(cc1)C(=O)CCN2CCOCC2 | Seidler et. al., 2003 | | Rp1 | OC(=O)c1sccc1S(=O)(=O)Nc2ccccc2 | Seidler et. al., 2003 | | Rp2 | OS(=O)(=O)CCCSc1nc2ccccc2s1 | Seidler et. al., 2003 | | Rp3 | OC(=O)CCSc1nc2ccccc2s1 | Seidler et. al., 2003 | | Sc68376 | Cc1nc(c(o1)c2ccncc2)c3ccccc3 | Seidler et. al., 2003 | | Wortmannin | COCC1OC(=O)c2coc3C(=O)C4=C(C(C[C@]5(C)[C@@H]4CCC5= )OC(=O)C)C1(C)c23 | Seidler et. al., 2003 | | Y27632 | CC(N)C1CCC(CC1)C(=O)Nc2ccncc2 | Seidler et. al., 2003 |
Download table as txt-file
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