0 B16R1.608 CC(C)CCCC(=O)NCc1cccnc1 AIFCHEM-6238931173 [0,0,0,0,0,0|3,0,1]=4 1 B16R1.608 CC(C)CCNC(=O)C#Cc1ccccn1 AIFCHEM-94557228049 [0,0,0,0,0,0|2,0,2]=4 2 B16R1.608 CC(C)CCNC(=O)CCc1ccccn1 AIFCHEM-6098877906 [0,0,0,0,0,0|2,0,2]=4 3 B16R1.608 CC(C)CCNC(=O)CCc1cccnc1 AIFCHEM-6184262660 [0,0,0,0,0,0|2,0,2]=4 4 B16R1.608 CC(C)CCNC(=O)CCc1ccncc1 AIFCHEM-6098597245 [0,0,0,0,0,0|2,0,2]=4 5 B17R1.675 CC(C)CCNC(=O)CC(C)c1ccccc1 AIFCHEM-6094682594 [0,1,0,0,0,0|1,0,2]=4 6 B17R1.675 CC(C)CCNC(=O)CN(C)c1ccccc1 AIFCHEM-6184237076 [0,1,0,0,0,0|2,0,1]=4 7 B17R1.675 CC(C)CCNC(=O)C[C@H](C)c1ccccc1 AIFCHEM-94574433901 [0,1,0,0,0,0|1,0,2]=4 8 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)Cl AIFCHEM-6020837251 [0,1,0,0,0,0|2,0,1]=4 9 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)I AIFCHEM-94602444985 [0,1,0,0,0,0|2,0,1]=4 10 B17R1.1079 Cc1ccc(cc1)OCC(=O)NCCC(C)C AIFCHEM-6133136241 [0,1,0,0,0,0|2,0,1]=4 11 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1Br AIFCHEM-5834333728 [0,1,0,0,0,0|2,0,1]=4 12 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1O AIFCHEM-94592073464 [0,1,0,0,0,0|2,0,1]=4 13 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1Cl AIFCHEM-6132698167 [0,1,0,0,0,0|2,0,1]=4 14 B17R1.9289 CC(C)CCCC(=O)N(C)Cc1ccccc1 AIFCHEM-94536107611 [0,1,0,0,0,0|2,0,1]=4 15 B17R1.9289 CC(C)CCNC(=O)C(C)Cc1ccccc1 AIFCHEM-6094306034 [0,1,0,0,0,0|1,0,2]=4 16 B17R1.9289 CC(C)CCNC(=O)C(O)Cc1ccccc1 AIFCHEM-94573435135 [0,1,0,0,0,0|1,0,2]=4 17 B17R1.9289 CC(C)CCNC(=O)[C@@H](O)Cc1ccccc1 AIFCHEM-6135836356 [0,1,0,0,0,0|1,0,2]=4 18 B17R1.9289 CC(C)CCNC(=O)[C@H](O)Cc1ccccc1 AIFCHEM-6121510047 [0,1,0,0,0,0|1,0,2]=4 19 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)Cl AIFCHEM-6230785593 [0,1,0,0,0,0|2,0,1]=4 20 B17R1.40529 CC(C)(C)CCNC(=O)CSc1ccccc1 AIFCHEM-6194044427 [0,1,0,0,0,0|2,0,1]=4 21 B17R2.3231 CC1CCN(C1)C(=O)COc2ccccc2 AIFCHEM-5628910853 [0,0,0,1,0,0|2,0,1]=4 22 B17R2.3231 CC1CCN(C1)C(=O)CSc2ccccc2 AIFCHEM-5652920112 [0,0,0,1,0,0|2,0,1]=4 23 B17R2.3231 C[C@@H]1CCN(C1)C(=O)COc2ccccc2 AIFCHEM-5868256988 [0,0,0,1,0,0|2,0,1]=4 24 B17R2.3231 C[C@@H]1CCN(C1)C(=O)CSc2ccccc2 AIFCHEM-5792279065 [0,0,0,1,0,0|2,0,1]=4 25 B17R2.3231 C[C@H]1CCN(C1)C(=O)COc2ccccc2 AIFCHEM-5610235942 [0,0,0,1,0,0|2,0,1]=4 26 B17R2.3231 C[C@H]1CCN(C1)C(=O)CSc2ccccc2 AIFCHEM-5633123763 [0,0,0,1,0,0|2,0,1]=4 27 B17R2.3919 C[C@@H]1C[C@H]1CNC(=O)CCc2ccccc2 AIFCHEM-94599426389 [0,0,0,1,0,0|1,0,2]=4 28 B17R2.3919 C[C@@H]1C[C@H]1CNC(=O)COc2ccccc2 AIFCHEM-94599421167 [0,0,0,1,0,0|2,0,1]=4 29 B17R2.5233 CC1CC(C1)NC(=O)COc2ccccc2 AIFCHEM-6142113643 [0,0,0,1,0,0|2,0,1]=4 30 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 AIFCHEM-94572978032 [0,0,0,1,0,0|3,0,0]=4 31 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 AIFCHEM-94552042751 [0,0,0,0,1,0|3,0,0]=4 32 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 AIFCHEM-94563731673 [0,0,0,0,1,0|1,0,2]=4 33 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 AIFCHEM-94554639947 [0,0,0,0,1,0|2,0,1]=4 34 B15R1.5919 CC(C)SCC(=O)NCc1ccccc1 AIFCHEM-5794768640 [0,0,0,0,1,0|2,0,1]=4 35 B17R1.1324 CC(C)CCCCC(=O)NCc1ccccc1 AIFCHEM-5855381323 [0,0,0,0,0,1|2,0,1]=4 36 B17R1.1324 CC(C)OCCNC(=O)CSc1ccccc1 AIFCHEM-6255430357 [0,0,0,0,0,1|2,0,1]=4 37 B17R1.16611 CC(C)CCNC(=O)C/C=C/c1cccnc1 AIFCHEM-94572200334 [0,0,0,0,0,1|2,0,0]=3 38 B16R1.613 CC(C)CCNC(=O)[C@@H](C)c1ccccc1 AIFCHEM-6098753438 [0,1,0,0,1,0|1,0,1]=4 39 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)F AIFCHEM-94540074441 [0,1,0,0,1,0|2,0,0]=4 40 B16R1.1067 Cc1ccc(cc1)NC(=O)CCCC(C)C AIFCHEM-94584238487 [0,1,0,0,1,0|2,0,0]=4 41 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1I AIFCHEM-5899673340 [0,1,0,0,1,0|2,0,0]=4 42 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1F AIFCHEM-6098415413 [0,1,0,0,1,0|1,0,1]=4 43 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1I AIFCHEM-6132347021 [0,1,0,0,1,0|1,0,1]=4 44 B16R1.7414 Cc1ccccc1NC(=O)CCCC(C)C AIFCHEM-5945722048 [0,1,0,0,1,0|2,0,0]=4 45 B16R1.400 CC(C)CCC(=O)NCc1ccccc1O AIFCHEM-94592073601 [0,1,0,0,1,0|1,0,1]=4 46 B18R1.10622 CC(C)CCNC(=O)CNC(=O)c1ccccc1 AIFCHEM-94554085093 [0,1,0,0,0,1|1,0,1]=4 47 B18R1.36849 CC(CN(C)C)NC(=O)C/C=C/c1ccccc1 AIFCHEM-6085078549 [0,1,0,0,0,1|2,0,0]=4 48 B18R1.36867 CC(C)CCN(C)C(=O)C/C=C/c1ccccc1 AIFCHEM-6149829868 [0,1,0,0,0,1|1,0,0]=3 49 B18R2.6573 CC(C)CNCc1c(ccc2c1cccc2)O AIFCHEM-94563724052 [0,0,0,1,0,1|1,0,1]=4 50 B18R2.7182 CC(C)CCNC(=O)c1c[nH]c2c1ccnc2 AIFCHEM-6184188225 [0,0,0,1,0,1|2,0,0]=4 51 B18R2.7182 CC(C)CCNC(=O)c1onc2c1cccc2 AIFCHEM-6132333102 [0,0,0,1,0,1|2,0,0]=4 52 B18R2.7182 CN(C)CCNC(=O)c1coc2c1cccc2 AIFCHEM-5915723565 [0,0,0,1,0,1|2,0,0]=4 53 B18R2.41521 CC1CC(C1)NC(=O)C/C=C/c2ccccc2 AIFCHEM-94592677461 [0,0,0,1,0,1|1,0,0]=3 54 B18R2.71602 CC(C)CCNC(=O)c1cc2ccccc2o1 AIFCHEM-6121775515 [0,1,0,1,0,0|1,0,0]=3 55 B18R2.71602 CC(C)CCNC(=O)c1cc2ccccn2c1 AIFCHEM-6135947714 [0,1,0,1,0,0|2,0,0]=4 56 B14R1.420 CC(C)CCNC(=O)c1ccncc1 AIFCHEM-6135956601 [0,0,0,0,2,0|2,0,0]=4 57 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 AIFCHEM-94552045876 [0,0,0,0,2,0|1,0,0]=3 58 B18R1.20927 CC(C)CCCNC(=O)C/C=C/c1ccccc1 AIFCHEM-94592665999 [0,0,0,0,0,2|1,0,0]=3