0 B11R1.167 Cc1ccc(c(c1)C(=O)N)C CSC000162255 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.167 Cc1ccc(c(c1)C(=O)N)F CSC011692772 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.167 Cc1ccc(c(c1)C(=O)N)O CSC000192840 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.167 Cc1ccc(cc1C(=O)N)F CSC000242012 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.167 NC(=O)c1cc(ccc1Br)Br CSC012339728 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.167 NC(=O)c1cc(ccc1Br)Cl CSC011227832 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.167 NC(=O)c1cc(ccc1Br)F CSC000206434 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.167 NC(=O)c1cc(ccc1Br)I CSC012352765 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.167 NC(=O)c1cc(ccc1Cl)Br CSC000162282 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.167 NC(=O)c1cc(ccc1Cl)Cl CSC000162246 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.167 NC(=O)c1cc(ccc1Cl)F CSC000034536 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.167 NC(=O)c1cc(ccc1Cl)I CSC009997440 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.167 NC(=O)c1cc(ccc1F)Br CSC000162119 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.167 NC(=O)c1cc(ccc1F)Cl CSC000216908 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.167 NC(=O)c1cc(ccc1I)Br CSC000162314 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.167 NC(=O)c1cc(ccc1I)Cl CSC000239382 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.167 NC(=O)c1cc(ccc1I)I CSC000060115 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.30 COc1cc(ccc1Br)C CSC010200004 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.30 COc1cc(ccc1Cl)C CSC000170852 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.30 COc1cc(ccc1F)C CSC011217910 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.30 CSc1cc(ccc1C)C CSC000001074 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.61 CS(=O)c1ccccc1F CSC011216808 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.61 NC(=O)c1ccccc1Br CSC000162158 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.61 NC(=O)c1ccccc1Cl CSC000162159 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.61 NC(=O)c1ccccc1I CSC000162227 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.113 NC(=O)c1cccc(c1)Br CSC000162208 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.113 NC(=O)c1cccc(c1)I CSC000162231 [1,0,0,0,0,0|3,0,0]=4 27 B12R1.46 CNc1ccc(cc1[N+](=O)[O-])Br CSC000752019 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.46 CNc1ncc(cc1[N+](=O)[O-])Cl CSC012178550 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.46 COc1ccc(cc1C(=O)C)Br CSC000173343 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.46 COc1ccc(cc1C(=O)N)Br CSC000215694 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.46 COc1ccc(cc1C(=O)N)Cl CSC000162310 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br CSC000176053 [0,1,0,0,0,0|1,0,0]=2 33 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C CSC000016935 [0,1,0,0,0,0|0,0,0]=1 34 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl CSC000156018 [0,1,0,0,0,0|1,0,0]=2 35 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F CSC000002536 [0,1,0,0,0,0|1,0,0]=2 36 B12R1.46 COc1ccc(cc1[N+](=O)[O-])I CSC011290888 [0,1,0,0,0,0|1,0,0]=2 37 B12R1.46 COc1ncc(cc1[N+](=O)[O-])C CSC000069800 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.128 Cc1ccc(c(c1)S(=O)(=O)C)C CSC000048138 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.128 Cc1ccc(c(c1)S(=O)(=O)N)F CSC000730503 [0,1,0,0,0,0|2,0,1]=4 40 B12R1.354 CNC(=O)c1cc(ccc1C)C CSC000159876 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.354 COC(=O)c1cc(ccc1Br)C CSC012339458 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.354 COC(=O)c1cc(ccc1C)C CSC000148939 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.354 COC(=O)c1cc(ccc1F)C CSC000703722 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.354 COC(=O)c1cc(ccc1N)C CSC000216452 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.354 COC(=O)c1cc(ccc1O)C CSC000216618 [0,1,0,0,0,0|1,0,1]=3 46 B12R1.354 COC(=O)c1cc(ccc1O)F CSC011219540 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.354 COC(=O)c1cc(ccc1O)I CSC000149868 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.354 COC(=O)c1cc(ccc1O)O CSC011203519 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.354 Cc1ccc(c(c1)C(=O)NN)C CSC000189821 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.354 Cc1ccc(c(c1)C(=O)NN)O CSC000193374 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.354 NNC(=O)c1cc(ccc1O)Br CSC000193350 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.453 COc1ccc(c(c1)C(=O)N)Br CSC000162014 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C CSC000042805 [0,1,0,0,0,0|1,0,0]=2 54 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl CSC000181342 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.511 Cn1cc(cc(c1=O)[N+](=O)[O-])Br CSC010209652 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.894 Cc1ccc(c(c1F)C(=O)N)F CSC011216796 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.59 Cc1cn(nc1[N+](=O)[O-])C CSC010270920 [0,0,0,0,1,0|3,0,0]=4 58 B10R1.59 Cc1nn(cc1[N+](=O)[O-])C CSC000014260 [0,0,0,0,1,0|3,0,0]=4 59 B12R1.127 CC(=O)Nc1cc(ccc1C)C CSC000152684 [0,0,0,0,0,1|3,0,0]=4 60 B12R1.127 CC(=O)Nc1cc(ccc1O)Br CSC010005742 [0,0,0,0,0,1|3,0,0]=4 61 B12R1.127 CC(=O)Nc1cc(ccc1O)C CSC000035807 [0,0,0,0,0,1|2,0,0]=3 62 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl CSC000012038 [0,0,0,0,0,1|3,0,0]=4 63 B12R1.127 CC(=O)Oc1cc(ccc1C)C CSC000002421 [0,0,0,0,0,1|3,0,0]=4 64 B12R1.127 Cc1ccc(c(c1)CC(=O)N)C CSC011694954 [0,0,0,0,0,1|3,0,0]=4 65 B9R1.15 CSc1ccccc1O CSC011216402 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.6 CS(=O)c1ccccc1 CSC000038873 [2,0,0,0,0,0|2,0,0]=4 67 B11R1.37 CNc1cc(ccc1OC)C CSC000220787 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.37 COc1ccc(cc1OC)C CSC000171720 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.53 CNc1cccnc1[N+](=O)[O-] CSC011381840 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.53 CNc1ncccc1[N+](=O)[O-] CSC000197359 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.53 COc1ccccc1C(=O)N CSC000162176 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.53 COc1cccnc1[N+](=O)[O-] CSC000006493 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.156 NC(=O)c1c(cccc1O)O CSC011218739 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.159 Cn1cccc(c1=O)[N+](=O)[O-] CSC000059228 [1,1,0,0,0,0|1,0,1]=4 75 B11R1.166 NC(=O)c1ccc(cc1O)Cl CSC000192836 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.166 NC(=O)c1ccc(cc1O)O CSC011933943 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.222 CNC(=O)c1ccccc1O CSC000185920 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.222 NNC(=O)c1ccccc1O CSC000186518 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.21 Cc1cc(ccc1Br)C(=O)N CSC011218126 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.21 Cc1cc(ccc1F)C(=O)N CSC011217366 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.21 Cc1ccc(cc1C)C(=O)N CSC000162321 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.23 CNC(=O)c1cccc(c1)C CSC000159928 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.23 COC(=O)c1cccc(c1)C CSC000149472 [1,1,0,0,0,0|1,0,1]=4 84 B11R1.23 Cc1cccc(c1)C(=O)NN CSC000189845 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.74 Cc1cc(cc(c1)C(=O)N)C CSC000162256 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.74 Cc1cc(cc(c1)C(=O)N)F CSC011217717 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.266 COc1cccc(c1)[N+](=O)[O-] CSC000006736 [1,1,0,0,0,0|0,0,0]=2 88 B11R1.266 CSc1cccc(c1)[N+](=O)[O-] CSC000061305 [1,1,0,0,0,0|0,0,0]=2 89 B13R1.97 COc1ccc(c(c1)NC(=O)C)O CSC009876672 [0,1,0,0,0,1|2,0,0]=4 90 B13R1.894 Cc1ccc(c(c1)NS(=O)(=O)C)O CSC011374127 [0,1,0,0,0,1|1,0,1]=4 91 B13R1.3089 COc1ccc(cc1NC(=O)C)C CSC000155816 [0,1,0,0,0,1|2,0,0]=4 92 B13R1.3089 COc1ccc(cc1NC(=O)N)C CSC000238959 [0,1,0,0,0,1|2,0,0]=4 93 B13R1.141 CCNc1ccc(cc1[N+](=O)[O-])Br CSC000176076 [0,2,0,0,0,0|2,0,0]=4 94 B13R1.141 CCNc1ccc(cc1[N+](=O)[O-])Cl CSC000156560 [0,2,0,0,0,0|2,0,0]=4 95 B13R1.141 CCNc1ccc(cc1[N+](=O)[O-])F CSC000156590 [0,2,0,0,0,0|2,0,0]=4 96 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])Br CSC011465498 [0,2,0,0,0,0|1,0,0]=3 97 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])C CSC000016936 [0,2,0,0,0,0|0,0,0]=2 98 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])F CSC000059350 [0,2,0,0,0,0|1,0,0]=3 99 B13R1.165 NC(=O)c1ccc(cc1[N+](=O)[O-])Br CSC012349628 [0,2,0,0,0,0|1,0,1]=4 100 B13R1.165 NC(=O)c1ccc(cc1[N+](=O)[O-])Cl CSC000162190 [0,2,0,0,0,0|1,0,1]=4 101 B13R1.2430 CNc1ccc(cc1[N+](=O)[O-])C#N CSC000204782 [0,2,0,0,0,0|1,0,1]=4 102 B13R1.2430 COc1ccc(c(c1)C(=O)N)OC CSC000175735 [0,2,0,0,0,0|2,0,0]=4 103 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])OC CSC000002532 [0,2,0,0,0,0|0,0,0]=2 104 B13R1.652 COc1cc(c(cc1Cl)[N+](=O)[O-])C CSC000729718 [0,2,0,0,0,0|2,0,0]=4 105 B13R1.446 CCOC(=O)c1cc(ccc1O)C CSC011212139 [0,2,0,0,0,0|1,0,1]=4 106 B13R1.2431 COC(=O)c1cc(ccc1O)OC CSC000151008 [0,2,0,0,0,0|1,0,1]=4 107 B13R1.2431 COc1ccc(c(c1)C(=O)NN)O CSC011196067 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.13 Cc1ccc(cc1[N+](=O)[O-])C(=O)N CSC000162010 [0,2,0,0,0,0|1,0,1]=4 109 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])Cl CSC012344476 [0,2,0,0,0,0|1,0,0]=3 110 B11R1.157 CC(=O)Nc1cccc(c1)C CSC000153650 [1,0,0,0,0,1|2,0,0]=4 111 B11R1.157 CC(=O)Oc1cccc(c1)C CSC000001900 [1,0,0,0,0,1|2,0,0]=4 112 B11R1.157 Cc1cccc(c1)NC(=O)N CSC000181699 [1,0,0,0,0,1|2,0,0]=4