0 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 AIFCHEM-94563731673 [0,0,0,0,0,0|1,0,2]=3 1 B15R1.5919 CC(C)CNC(=O)CCc1ccncc1 AIFCHEM-6144403566 [0,0,0,0,0,0|2,0,2]=4 2 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 AIFCHEM-94554639947 [0,0,0,0,0,0|3,0,1]=4 3 B15R1.5919 CC(C)SCC(=O)NCc1ccccc1 AIFCHEM-5794768640 [0,0,0,0,0,0|3,0,1]=4 4 B14R1.156 CCCNC(=O)CSc1ccccc1 AIFCHEM-94521372545 [1,0,0,0,0,0|2,0,1]=4 5 B16R1.400 CC(C)CCC(=O)NCc1ccccc1O AIFCHEM-94592073601 [0,1,0,0,0,0|2,0,1]=4 6 B16R1.400 Cc1ccccc1C#CC(=O)NCC(C)C AIFCHEM-6162937157 [0,1,0,0,0,0|1,0,2]=4 7 B16R1.1061 CC(C)CNC(=O)C#Cc1ccc(cc1)Cl AIFCHEM-6144580322 [0,1,0,0,0,0|1,0,2]=4 8 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)I AIFCHEM-94563728047 [0,1,0,0,0,0|1,0,2]=4 9 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)O AIFCHEM-94590261360 [0,1,0,0,0,0|2,0,1]=4 10 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)Cl AIFCHEM-6145055981 [0,1,0,0,0,0|2,0,1]=4 11 B16R1.1343 CCC(C)CNC(=O)COc1ccccc1 AIFCHEM-94534477427 [0,1,0,0,0,0|2,0,1]=4 12 B16R1.4122 CC(C)[C@@H](C)NC(=O)C#Cc1ccccc1 AIFCHEM-94576831262 [0,1,0,0,0,0|1,0,2]=4 13 B16R1.7611 CC(C)CNC(=O)CC(C)c1ccccc1 AIFCHEM-94563731432 [0,1,0,0,0,0|1,0,2]=4 14 B16R1.7611 CC(C)CNC(=O)CC(O)c1ccccc1 AIFCHEM-94563730690 [0,1,0,0,0,0|1,0,2]=4 15 B16R1.7611 CC(C)CNC(=O)C[C@@H](C)c1ccccc1 AIFCHEM-6123763368 [0,1,0,0,0,0|1,0,2]=4 16 B16R1.7611 CC(C)CNC(=O)C[C@H](C)c1ccccc1 AIFCHEM-94574436096 [0,1,0,0,0,0|1,0,2]=4 17 B16R1.11227 CC(C)CNC(=O)C#Cc1cccc(c1)Cl AIFCHEM-94563733319 [0,1,0,0,0,0|1,0,2]=4 18 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)F AIFCHEM-94563731151 [0,1,0,0,0,0|2,0,1]=4 19 B16R1.11227 Cc1cccc(c1)OCC(=O)NCC(C)C AIFCHEM-6123199358 [0,1,0,0,0,0|2,0,1]=4 20 B16R1.22556 CC(C)(C)CNC(=O)COc1ccccc1 AIFCHEM-5928031193 [0,1,0,0,0,0|2,0,1]=4 21 B16R1.22556 CC(C)(C)CNC(=O)CSc1ccccc1 AIFCHEM-94570503050 [0,1,0,0,0,0|2,0,1]=4 22 B16R1.22556 CC(C)(F)CNC(=O)CSc1ccccc1 AIFCHEM-5771069887 [0,1,0,0,0,0|2,0,1]=4 23 B16R2.477 CC(C)CNc1ccc2cccnc2c1 AIFCHEM-94572982475 [0,0,0,1,0,0|3,0,0]=4 24 B16R2.3193 C[C@@H]1C[C@H]1NC(=O)COc2ccccc2 AIFCHEM-94559013093 [0,0,0,1,0,0|2,0,1]=4 25 B16R2.44153 O=C(CCC1CC1)NCc2ccccc2 AIFCHEM-94554641547 [0,0,0,1,0,0|2,0,1]=4 26 B16R2.44153 O=C(CSc1ccccc1)NCC2CC2 AIFCHEM-5944563426 [0,0,0,1,0,0|2,0,1]=4 27 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 AIFCHEM-94552045876 [0,0,0,0,1,0|2,0,0]=3 28 B14R1.423 CC(C)CNC(=O)Cc1ccccn1 AIFCHEM-94576235871 [0,0,0,0,1,0|2,0,1]=4 29 B14R1.818 CC(C)CC(=O)NCc1cccnc1 AIFCHEM-6239813416 [0,0,0,0,1,0|2,0,1]=4 30 B14R1.818 CC(C)NC(=O)C#Cc1ccccc1 AIFCHEM-94520550380 [0,0,0,0,1,0|1,0,2]=4 31 B14R1.818 CC(O)CC(=O)NCc1ccccc1 AIFCHEM-94554639641 [0,0,0,0,1,0|2,0,1]=4 32 B14R1.818 C[C@@H](O)CC(=O)NCc1ccccc1 AIFCHEM-94539158680 [0,0,0,0,1,0|2,0,1]=4 33 B14R1.818 C[C@H](O)CC(=O)NCc1ccccc1 AIFCHEM-94539158619 [0,0,0,0,1,0|2,0,1]=4 34 B16R1.608 CC(C)COCC(=O)NCc1ccccn1 AIFCHEM-5686871956 [0,0,0,0,0,1|2,0,1]=4 35 B15R1.78 CCCOCC(=O)NCc1ccccc1 AIFCHEM-5876740065 [1,1,0,0,0,0|1,0,1]=4 36 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 AIFCHEM-94552042751 [1,1,0,0,0,0|1,0,1]=4 37 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)Cl AIFCHEM-94563728617 [0,1,0,0,1,0|1,0,1]=4 38 B15R1.111 Cc1ccc(cc1)NC(=O)CCC(C)C AIFCHEM-94584238624 [0,1,0,0,1,0|2,0,0]=4 39 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)Br AIFCHEM-94552712941 [0,1,0,0,1,0|2,0,0]=4 40 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)Cl AIFCHEM-94523501308 [0,1,0,0,1,0|2,0,0]=4 41 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)O AIFCHEM-6179570320 [0,1,0,0,1,0|1,0,1]=4 42 B15R1.1078 CC(C)CCC(=O)N(C)c1ccccc1 AIFCHEM-94545189378 [0,1,0,0,1,0|2,0,0]=4 43 B15R1.130 CC(C)CC(=O)NCc1ccccc1O AIFCHEM-94592072496 [0,1,0,0,1,0|1,0,1]=4 44 B15R1.130 Cc1ccccc1CNC(=O)CC(C)C AIFCHEM-6159457016 [0,1,0,0,1,0|1,0,1]=4 45 B15R1.3465 CC(C)(C)CC(=O)NCc1ccccc1 AIFCHEM-94554635070 [0,1,0,0,1,0|1,0,1]=4 46 B15R1.3465 CC(C)(O)CC(=O)NCc1ccccc1 AIFCHEM-94539158678 [0,1,0,0,1,0|1,0,1]=4 47 B15R1.3678 CC(C)C(C)C(=O)NCc1ccccc1 AIFCHEM-94554636791 [0,1,0,0,1,0|1,0,1]=4 48 B15R1.3678 CC(C)C(O)C(=O)NCc1ccccc1 AIFCHEM-5834471916 [0,1,0,0,1,0|1,0,1]=4 49 B15R1.3678 CC(C)[C@@H](O)C(=O)NCc1ccccc1 AIFCHEM-94554637630 [0,1,0,0,1,0|1,0,1]=4 50 B15R1.3678 CC(C)[C@H](O)C(=O)NCc1ccccc1 AIFCHEM-5867993911 [0,1,0,0,1,0|1,0,1]=4 51 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)I AIFCHEM-94549226814 [0,1,0,0,0,1|1,0,1]=4 52 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1I AIFCHEM-6099606017 [0,1,0,0,0,1|1,0,1]=4 53 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1O AIFCHEM-94592070476 [0,1,0,0,0,1|1,0,1]=4 54 B17R1.9289 CC(C)COCC(=O)N(C)Cc1ccccc1 AIFCHEM-6227477643 [0,1,0,0,0,1|1,0,1]=4 55 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)Cl AIFCHEM-6230396819 [0,1,0,0,0,1|1,0,1]=4 56 B17R1.5005 CC(C)CNC(=O)CC(=O)Oc1ccccc1 AIFCHEM-6146081299 [0,1,0,0,0,1|1,0,1]=4 57 B17R1.16303 CC(C)C(C)NC(=O)C/C=C/c1cccnc1 AIFCHEM-94572200900 [0,1,0,0,0,1|2,0,0]=4 58 B17R1.16303 CC(C)[C@@H](C)NC(=O)C/C=C/c1cccnc1 AIFCHEM-94576830888 [0,1,0,0,0,1|2,0,0]=4 59 B17R1.16318 CC(C)CN(C)C(=O)C/C=C/c1ccccc1 AIFCHEM-94592675008 [0,1,0,0,0,1|1,0,0]=3 60 B17R1.26833 CCC(F)CNC(=O)C/C=C/c1ccccc1 AIFCHEM-5801760957 [0,1,0,0,0,1|2,0,0]=4 61 B17R1.26833 COC(C)CNC(=O)C/C=C/c1ccccc1 AIFCHEM-5789352858 [0,1,0,0,0,1|1,0,0]=3 62 B17R1.26833 CO[C@@H](C)CNC(=O)C/C=C/c1ccccc1 AIFCHEM-94592677621 [0,1,0,0,0,1|1,0,0]=3 63 B17R1.26833 CO[C@H](C)CNC(=O)C/C=C/c1ccccc1 AIFCHEM-94592677622 [0,1,0,0,0,1|1,0,0]=3 64 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 AIFCHEM-94572978032 [0,0,0,1,0,1|2,0,0]=4 65 B17R2.877 CC(C)CNC(=O)c1c[nH]c2c1ccnc2 AIFCHEM-6145190670 [0,0,0,1,0,1|2,0,0]=4 66 B17R2.877 CC(C)CNC(=O)c1cnn2c1cccc2 AIFCHEM-6179597386 [0,0,0,1,0,1|2,0,0]=4 67 B17R2.877 CC(C)CNC(=O)c1noc2c1cccc2 AIFCHEM-6123462368 [0,0,0,1,0,1|2,0,0]=4 68 B17R2.877 CC(C)CNC(=O)c1onc2c1cccc2 AIFCHEM-6144428349 [0,0,0,1,0,1|2,0,0]=4 69 B17R2.3543 CC(C)CNc1ccc(s1)c2ccccc2 AIFCHEM-94572975051 [0,0,0,1,0,1|1,1,0]=4 70 B17R2.3926 C[C@@H]1C[C@H]1NC(=O)C/C=C/c2ccccc2 AIFCHEM-94592678308 [0,0,0,1,0,1|1,0,0]=3 71 B17R2.10110 CC(C)CNC(=O)c1cc2ccccc2o1 AIFCHEM-94563731600 [0,1,0,1,0,0|1,0,0]=3 72 B17R2.10110 CC(C)CNC(=O)c1cc2cccnc2s1 AIFCHEM-6145060121 [0,1,0,1,0,0|2,0,0]=4 73 B17R2.37485 CC(C)CNc1ccc2c(cccc2n1)Br AIFCHEM-94572979881 [0,1,0,1,0,0|2,0,0]=4 74 B17R2.40403 CC(C)CNc1cc(c2ccccc2c1)Br AIFCHEM-94572984420 [0,1,0,1,0,0|2,0,0]=4 75 B17R2.252072 CC(C)CNc1ccc2cccc(c2n1)Br AIFCHEM-94572971422 [0,1,0,1,0,0|2,0,0]=4 76 B13R1.45 CC(C)CNC(=O)c1cccnc1 AIFCHEM-6179646778 [0,0,0,0,2,0|2,0,0]=4 77 B13R1.348 CC(C)CC(=O)Nc1ccccn1 AIFCHEM-5962320555 [0,0,0,0,2,0|2,0,0]=4 78 B17R1.16611 CC(C)CCNC(=O)C/C=C/c1cccnc1 AIFCHEM-94572200334 [0,0,0,0,0,2|2,0,0]=4