0 B11R1.279 COc1ccc(c(c1)C)C#N CSC011934301 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.279 COc1ccc(c(c1)Cl)C#N CSC011218975 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.279 COc1ccc(c(c1)F)C#N CSC000687259 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.3 COc1ccc(cc1)SC CSC000007070 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.3 CSc1ccc(cc1)C#N CSC000188601 [1,0,0,0,0,0|1,1,1]=4 5 B10R1.25 COc1ccc(cc1Br)C CSC000186399 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.25 COc1ccc(cc1Cl)C CSC011933932 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.25 COc1ccc(cc1I)C CSC011263220 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.25 CSc1ccc(cc1C)C CSC000001076 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.176 CNc1ccc(c(c1)Cl)C CSC000220120 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.176 CNc1ccc(c(c1)Cl)Cl CSC000219944 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.176 CNc1ccc(c(c1)F)Br CSC012285320 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.176 COc1ccc(=O)n(n1)C CSC009892526 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.176 COc1ccc(c(c1)Br)C CSC012349166 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.176 COc1ccc(c(c1)Br)Cl CSC011290771 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.176 COc1ccc(c(c1)Br)I CSC012349170 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.176 COc1ccc(c(c1)C)Br CSC000759875 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.176 COc1ccc(c(c1)C)Cl CSC000170508 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.176 COc1ccc(c(c1)C)F CSC011217415 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.176 COc1ccc(c(c1)Cl)Br CSC000730603 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.176 COc1ccc(c(c1)Cl)C CSC000021920 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.176 COc1ccc(c(c1)Cl)Cl CSC000170311 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.176 COc1ccc(c(c1)Cl)F CSC000006738 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.176 COc1ccc(c(c1)F)Br CSC000753793 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.176 COc1ccc(c(c1)F)C CSC011218487 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.176 COc1ccc(c(c1)F)Cl CSC011215935 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.176 COc1ccc(c(c1)F)F CSC000038840 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.176 CSc1ccc(c(c1)C)C CSC000001060 [1,0,0,0,0,0|1,1,1]=4 28 B10R1.176 CSc1ccc(c(c1)Cl)Cl CSC000116842 [1,0,0,0,0,0|2,1,0]=4 29 B10R1.176 CSc1ccc(c(c1)Cl)F CSC000021471 [1,0,0,0,0,0|2,1,0]=4 30 B12R1.78 CCc1ccc(c(c1)OC)OC CSC000076490 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.78 COc1ccc(c(c1)OC)C#N CSC000188243 [0,1,0,0,0,0|1,0,1]=3 32 B12R1.78 COc1ccc(c(c1)OC)OC CSC000036765 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.288 CCOc1ccc(c(c1)F)C#N CSC011935577 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.288 CNCc1ccc(c(c1)O)OC CSC000188468 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.452 COc1ccc(c(c1)Br)C(=O)N CSC009815664 [0,1,0,0,0,0|1,0,0]=2 36 B12R1.452 COc1ccc(c(c1)C)C(=O)N CSC009868328 [0,1,0,0,0,0|1,0,0]=2 37 B12R1.452 COc1ccc(c(c1)F)C(=O)C CSC000211433 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.452 COc1ccc(c(c1)F)C(=O)N CSC000198184 [0,1,0,0,0,0|1,0,0]=2 39 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] CSC011299423 [0,1,0,0,0,0|2,0,0]=3 40 B12R2.44 COc1ccc2c(c1)OCO2 CSC000005814 [0,0,0,1,0,0|2,0,0]=3 41 B9R1.1 CNc1ccc(cc1)Br CSC000219623 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.1 CNc1ccc(cc1)Cl CSC000220157 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.1 COc1ccc(cc1)Br CSC000169945 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.1 COc1ccc(cc1)Cl CSC000169959 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.1 COc1ccc(cc1)I CSC000171711 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.1 CSc1ccc(cc1)Br CSC000149455 [2,0,0,0,0,0|1,1,0]=4 47 B9R1.1 CSc1ccc(cc1)Cl CSC000150468 [2,0,0,0,0,0|1,1,0]=4 48 B9R1.1 CSc1ccc(cc1)F CSC000000078 [2,0,0,0,0,0|1,1,0]=4 49 B9R1.1 CSc1ccc(cc1)O CSC000211864 [2,0,0,0,0,0|0,1,1]=4 50 B9R1.15 CSc1ccccc1O CSC011216402 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.2 CNc1cccc(c1)Cl CSC000220044 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.2 CNc1cccc(c1)I CSC000221217 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.2 COc1cccc(c1)Br CSC000170001 [2,0,0,0,0,0|1,0,0]=3 54 B9R1.2 COc1cccc(c1)Cl CSC000170018 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.2 COc1cccc(c1)I CSC000171673 [2,0,0,0,0,0|1,0,0]=3 56 B9R1.2 CSc1cccc(c1)Br CSC011215954 [2,0,0,0,0,0|1,1,0]=4 57 B9R1.2 CSc1cccc(c1)Cl CSC000033908 [2,0,0,0,0,0|1,1,0]=4 58 B9R1.2 CSc1cccc(c1)F CSC000067534 [2,0,0,0,0,0|1,1,0]=4 59 B11R1.3 CCc1ccc(cc1)C(=O)N CSC000162293 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.3 CNc1ccc(cc1)C(=O)N CSC000220534 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.3 COc1ccc(cc1)C(=C)C CSC011935109 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.3 COc1ccc(cc1)C(C)C CSC000174001 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.3 COc1ccc(cc1)[C@@H](C)O CSC000744170 [1,1,0,0,0,0|0,0,2]=4 64 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] CSC000156026 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.3 COc1ccc(cn1)C(=O)N CSC000234233 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] CSC000039800 [1,1,0,0,0,0|1,1,0]=4 67 B11R1.3 NC(=O)c1ccc(cc1)C=C CSC000123571 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.83 CCCc1ccc(cc1)OC CSC000034192 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.83 CCOc1ccc(cc1)CN CSC000185588 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.83 CCOc1ccc(cc1)CO CSC000173027 [1,1,0,0,0,0|0,0,2]=4 71 B11R1.83 CCOc1ccc(cc1)SC CSC000021790 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.83 CCSc1ccc(cc1)OC CSC000021481 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.83 COCc1ccc(cc1)SC CSC010272925 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.83 COc1ccc(cc1)CCO CSC011219623 [1,1,0,0,0,0|0,0,2]=4 75 B11R1.37 COc1ccc(cc1OC)C CSC000171720 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.166 Cc1cc(ccc1C(=O)N)Br CSC011327924 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.166 Cc1cc(ccc1C(=O)N)F CSC011997080 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.166 Cc1ccc(c(c1)C)C(=O)N CSC000162304 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)N CSC012178794 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.166 Cc1ccc(c(c1)F)C(=O)N CSC000686557 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.166 NC(=O)c1ccc(cc1Br)Br CSC012769498 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.166 NC(=O)c1ccc(cc1Br)Cl CSC012347284 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.166 NC(=O)c1ccc(cc1Cl)Cl CSC000162194 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.166 NC(=O)c1ccc(cc1Cl)F CSC000162332 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.166 NC(=O)c1ccc(cc1Cl)I CSC000060398 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.166 NC(=O)c1ccc(cc1F)Br CSC000216903 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.166 NC(=O)c1ccc(cc1F)Cl CSC000216909 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.166 NC(=O)c1ccc(cc1F)F CSC000162284 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.166 NC(=O)c1ccc(cc1O)Cl CSC000192836 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.166 NC(=O)c1ccc(cc1O)O CSC011933943 [1,1,0,0,0,0|0,0,0]=2 91 B11R1.14 COc1cc(c(c(c1)C)Br)C CSC012160682 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.192 CCOc1ccc(c(c1)C)Br CSC012344538 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.192 CCOc1ccc(c(c1)Cl)Br CSC010081125 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.192 CCOc1ccc(c(c1)Cl)F CSC000006682 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.192 CCOc1ccc(c(c1)F)Cl CSC011216938 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.192 CCOc1ccc(c(c1)F)F CSC000024517 [1,1,0,0,0,0|2,0,0]=4 97 B13R1.652 COc1cc(c(cc1Cl)[N+](=O)[O-])C CSC000729718 [0,2,0,0,0,0|2,0,0]=4 98 B13R1.3088 COC(=O)c1ccc(c(c1)O)OC CSC011215032 [0,2,0,0,0,0|2,0,0]=4 99 B13R1.3096 COc1ccc(c(c1F)F)[N+](=O)[O-] CSC000068569 [0,2,0,0,0,0|2,0,0]=4 100 B13R1.99 COc1ccc(c(c1)OC)[N+](=O)[O-] CSC000707660 [0,2,0,0,0,0|1,0,0]=3 101 B13R1.95 COC(=O)c1ccc(cc1Br)OC CSC009815674 [0,2,0,0,0,0|1,0,0]=3 102 B13R1.95 COC(=O)c1ccc(cc1C)OC CSC011997376 [0,2,0,0,0,0|1,0,0]=3 103 B13R1.95 COC(=O)c1ccc(cc1F)OC CSC000198241 [0,2,0,0,0,0|1,0,0]=3 104 B13R1.95 COc1ccc(c(c1)O)C(=O)NN CSC000188385 [0,2,0,0,0,0|0,0,0]=2 105 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C CSC009815704 [0,2,0,0,0,0|1,0,0]=3 106 B13R1.653 COc1ccc(c(c1)O)NC(=O)C CSC000059749 [0,2,0,0,0,0|0,0,0]=2 107 B13R1.96 COc1ccc(c(c1)Br)S(=O)(=O)N CSC010254767 [0,2,0,0,0,0|2,0,0]=4 108 B13R2.57 COc1ccc2c(c1)OCCO2 CSC009884742 [0,1,0,1,0,0|1,0,1]=4 109 B13R2.57 COc1ccc2nccnc2c1 CSC000041819 [0,1,0,1,0,0|2,0,0]=4 110 B13R2.2121 COc1ccc2c(c1)CC(=O)N2 CSC011996518 [0,1,0,1,0,0|1,0,0]=3