0 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 CSC000002920 [0,0,0,0,0,0|1,0,2]=3 1 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 CSC000248057 [0,0,0,0,0,0|2,0,1]=3 2 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 CSC042013121 [0,0,0,0,0,0|2,0,1]=3 3 B16R1.608 CC(N)CCNC(=O)CCc1ccccc1 CSC005735236 [0,0,0,0,0,0|2,0,2]=4 4 B16R1.608 CC(N)CCNC(=O)CNc1ccccc1 CSC057066510 [0,0,0,0,0,0|3,0,1]=4 5 B16R1.608 CC(N)CCNC(=O)COc1ccccc1 CSC005735164 [0,0,0,0,0,0|3,0,1]=4 6 B16R1.608 CC(N)CCNC(=O)CSc1ccccc1 CSC005735174 [0,0,0,0,0,0|3,0,1]=4 7 B16R1.608 CN(C)CCNC(=O)CCc1ccccc1 CSC039236855 [0,0,0,0,0,0|2,0,2]=4 8 B16R1.608 CN(C)CCNC(=O)CNc1ccccc1 CSC000378475 [0,0,0,0,0,0|3,0,1]=4 9 B16R1.608 CN(C)CCNC(=O)COc1ccccc1 CSC048405705 [0,0,0,0,0,0|3,0,1]=4 10 B15R1.78 CCCCCC(=O)NCc1ccccc1 CSC000153166 [1,0,0,0,0,0|2,0,1]=4 11 B15R1.78 CCCCNC(=O)CCc1ccccc1 CSC000002837 [1,0,0,0,0,0|1,0,2]=4 12 B15R1.78 CCCCNC(=O)COc1ccccc1 CSC000150563 [1,0,0,0,0,0|2,0,1]=4 13 B15R1.504 CC(C)CCNCC=Cc1ccccc1 CSC011192284 [1,0,0,0,0,0|1,0,1]=3 14 B17R1.675 CC(C)CCNC(=O)CC(N)c1ccccc1 CSC000521030 [0,1,0,0,0,0|1,0,2]=4 15 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)Cl CSC046799708 [0,1,0,0,0,0|1,0,2]=4 16 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)F CSC047621937 [0,1,0,0,0,0|1,0,2]=4 17 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)C CSC000381954 [0,1,0,0,0,0|2,0,1]=4 18 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)Cl CSC000381929 [0,1,0,0,0,0|2,0,1]=4 19 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)F CSC000577038 [0,1,0,0,0,0|2,0,1]=4 20 B17R1.1079 CC(C)CCNC(=O)CSc1ccc(cc1)C CSC046242039 [0,1,0,0,0,0|2,0,1]=4 21 B17R1.1079 CC(C)CCNC(=O)CSc1ccc(cc1)Cl CSC046878470 [0,1,0,0,0,0|2,0,1]=4 22 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1F CSC048903635 [0,1,0,0,0,0|1,0,2]=4 23 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1N CSC000548865 [0,1,0,0,0,0|1,0,2]=4 24 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1C CSC000480482 [0,1,0,0,0,0|2,0,1]=4 25 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1Cl CSC000576901 [0,1,0,0,0,0|2,0,1]=4 26 B17R1.9289 CC(C)CCNC(=O)C(=O)Nc1ccccc1 CSC046103692 [0,1,0,0,0,0|2,0,0]=3 27 B17R1.9289 CC(C)CCNC(=O)C(=O)Nc1cccnc1 CSC047347956 [0,1,0,0,0,0|3,0,0]=4 28 B17R1.9289 CC(C)CCNC(=O)C(N)Cc1ccccc1 CSC000641923 [0,1,0,0,0,0|1,0,2]=4 29 B17R1.16524 CC(C)CC(C)NC(=O)COc1ccccc1 CSC047526755 [0,1,0,0,0,0|2,0,1]=4 30 B17R1.40529 CC(C)(C)CCNC(=O)CNc1ccccc1 CSC003949376 [0,1,0,0,0,0|2,0,1]=4 31 B17R2.3231 CC1CCN(C1)C(=O)CNc2ccccc2 CSC005503668 [0,0,0,1,0,0|2,0,1]=4 32 B17R2.3919 CC1CC1CNC(=O)CNc2ccccc2 CSC006140425 [0,0,0,1,0,0|2,0,1]=4 33 B17R2.5233 CC1CC(C1)NC(=O)CNc2ccccc2 CSC006361523 [0,0,0,1,0,0|2,0,1]=4 34 B17R2.5669 CC(C)NCCc1ccc2ccccc2c1 CSC000324771 [0,0,0,1,0,0|3,0,0]=4 35 B15R1.1081 CC(C)CCNC(=O)Nc1ccccn1 CSC061633145 [0,0,0,0,1,0|3,0,0]=4 36 B15R1.1081 CC(C)CCNC(=O)Nc1cccnc1 CSC061183493 [0,0,0,0,1,0|3,0,0]=4 37 B15R1.1081 CC(C)NCCC(=O)Nc1ccccc1 CSC000240315 [0,0,0,0,1,0|3,0,0]=4 38 B15R1.5919 CC(C)CNC(=O)CNc1ccccc1 CSC000176359 [0,0,0,0,1,0|2,0,1]=4 39 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 CSC000150567 [0,0,0,0,1,0|2,0,1]=4 40 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 CSC000150706 [0,0,0,0,1,0|2,0,1]=4 41 B15R1.5919 CC(C)COC(=O)COc1ccccc1 CSC000005853 [0,0,0,0,1,0|1,0,1]=3 42 B17R1.1324 CC(C)OCCNC(=O)CNc1ccccc1 CSC004301294 [0,0,0,0,0,1|2,0,1]=4 43 B17R1.1324 CN(C)CCCOC(=O)CCc1ccccc1 CSC046260678 [0,0,0,0,0,1|1,0,2]=4 44 B17R1.1324 CN(C)CCCOC(=O)COc1ccccc1 CSC047885343 [0,0,0,0,0,1|2,0,1]=4 45 B17R1.16611 CC(C)CCNC(=O)CCSc1ccccc1 CSC046157872 [0,0,0,0,0,1|1,0,2]=4 46 B14R1.156 CCCCC(=O)OCc1ccccc1 CSC000000752 [2,0,0,0,0,0|1,0,1]=4 47 B14R1.156 O=C(OCC#N)C=Cc1ccccc1 CSC043593763 [2,0,0,0,0,0|1,0,1]=4 48 B16R1.1216 CCCCNC(=O)C(=O)Nc1ccccc1 CSC000013096 [1,1,0,0,0,0|2,0,0]=4 49 B16R1.613 CC(C)CCOC(=O)C(O)c1ccccc1 CSC000035775 [0,1,0,0,1,0|0,0,1]=3 50 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)Br CSC035631472 [0,1,0,0,1,0|1,0,1]=4 51 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)C CSC048090987 [0,1,0,0,1,0|1,0,1]=4 52 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)Cl CSC033269519 [0,1,0,0,1,0|1,0,1]=4 53 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)F CSC049088880 [0,1,0,0,1,0|1,0,1]=4 54 B16R1.1067 CC(C)CCNC(=O)Nc1ccc(cc1)Cl CSC032732226 [0,1,0,0,1,0|2,0,0]=4 55 B16R1.6940 CC(C)CC(C)NC(=O)Nc1ccccc1 CSC000051809 [0,1,0,0,1,0|2,0,0]=4 56 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Cl CSC043019006 [0,1,0,0,1,0|1,0,1]=4 57 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1F CSC047220615 [0,1,0,0,1,0|1,0,1]=4 58 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Br CSC047877144 [0,1,0,0,1,0|1,0,1]=4 59 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Cl CSC047990349 [0,1,0,0,1,0|1,0,1]=4 60 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)F CSC026428482 [0,1,0,0,1,0|1,0,1]=4 61 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)Cl CSC029631202 [0,1,0,0,1,0|2,0,0]=4 62 B16R1.6944 CC(C)C[C@H](N)C(=O)NCc1ccccc1 CSC005495875 [0,1,0,0,1,0|1,0,1]=4 63 B18R1.9307 CC(C)CCNC(=O)C(=O)Nc1ccc(cc1)Br CSC046392369 [0,2,0,0,0,0|2,0,0]=4 64 B18R1.9307 CC(C)CCNC(=O)C(=O)Nc1ccc(cc1)C CSC046120725 [0,2,0,0,0,0|2,0,0]=4 65 B18R1.9307 CC(C)CCNC(=O)C(=O)Nc1ccc(cc1)Cl CSC047962638 [0,2,0,0,0,0|2,0,0]=4 66 B18R1.9307 CC(C)CCNC(=O)C(=O)Nc1ccc(cc1)F CSC046149857 [0,2,0,0,0,0|2,0,0]=4 67 B18R1.13972 CC(C)CCNC(=O)C(=O)Nc1ccccc1Br CSC048560924 [0,2,0,0,0,0|2,0,0]=4 68 B18R1.13972 CC(C)CCNC(=O)C(=O)Nc1ccccc1C CSC046144343 [0,2,0,0,0,0|2,0,0]=4 69 B18R1.13972 CC(C)CCNC(=O)C(=O)Nc1ccccc1Cl CSC046181429 [0,2,0,0,0,0|2,0,0]=4 70 B18R1.13972 CC(C)CCNC(=O)C(=O)Nc1ccccc1F CSC046233467 [0,2,0,0,0,0|2,0,0]=4 71 B18R1.9960 CC(C)CCNC(=O)C(=O)Nc1cccc(c1)Br CSC046327885 [0,2,0,0,0,0|2,0,0]=4 72 B18R1.9960 CC(C)CCNC(=O)C(=O)Nc1cccc(c1)Cl CSC046225869 [0,2,0,0,0,0|2,0,0]=4 73 B18R1.9960 CC(C)CCNC(=O)C(=O)Nc1cccc(c1)F CSC046216615 [0,2,0,0,0,0|2,0,0]=4 74 B16R2.2441 CCCCOc1ccc2ccccc2c1 CSC000014088 [1,0,0,1,0,0|1,0,0]=3 75 B16R2.179941 CC(C)NCc1cccc2c1cccc2 CSC000195758 [1,0,0,1,0,0|2,0,0]=4 76 B18R2.7182 CC(C)CCNC(=O)c1n[nH]c2c1cccc2 CSC026434560 [0,0,0,1,0,1|2,0,0]=4 77 B18R2.7182 CC(N)CCNC(=O)c1coc2c1cccc2 CSC008172676 [0,0,0,1,0,1|2,0,0]=4 78 B18R2.7182 CC(N)CCNC(=O)c1csc2c1cccc2 CSC008081842 [0,0,0,1,0,1|2,0,0]=4 79 B18R2.7182 CN(C)CCNC(=O)c1csc2c1cccc2 CSC046183569 [0,0,0,1,0,1|2,0,0]=4 80 B18R2.253 CC1CCN(CC1)C(=O)C=Cc2ccccc2 CSC046377885 [0,1,0,1,0,0|1,0,0]=3 81 B18R2.71602 CC(C)CCNC(=O)c1cn2ccccc2n1 CSC046254386 [0,1,0,1,0,0|2,0,0]=4 82 B18R2.71602 CC(N)CCNC(=O)c1cc2ccccc2o1 CSC003391108 [0,1,0,1,0,0|2,0,0]=4 83 B18R2.71602 CC(N)CCNC(=O)c1cc2ccccc2s1 CSC003391071 [0,1,0,1,0,0|2,0,0]=4 84 B18R2.71602 CN(C)CCNC(=O)c1cc2ccccc2[nH]1 CSC000609305 [0,1,0,1,0,0|2,0,0]=4 85 B18R2.71602 CN(C)CCNC(=O)c1cc2ccccc2o1 CSC047460823 [0,1,0,1,0,0|2,0,0]=4 86 B14R1.158 CCCCCC(=O)Oc1ccccc1 CSC000001948 [1,0,0,0,1,0|2,0,0]=4 87 B14R1.420 CC(C)CCNC(=O)c1ccccc1 CSC000159404 [0,0,0,0,2,0|1,0,0]=3 88 B14R1.420 CC(C)CCNC(=O)c1cccnc1 CSC000002913 [0,0,0,0,2,0|2,0,0]=4 89 B14R1.420 CC(C)CCNC(=O)c1ccncc1 CSC046966015 [0,0,0,0,2,0|2,0,0]=4 90 B14R1.420 CC(C)CCOC(=O)c1ccccc1 CSC000024467 [0,0,0,0,2,0|0,0,0]=2 91 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 CSC011237169 [0,0,0,0,2,0|2,0,0]=4 92 B14R1.818 CC(C)CC(=O)NCc1ccccc1 CSC000153161 [0,0,0,0,2,0|1,0,1]=4