0 B11R1.41 CCNc1ccccc1CC CSC000221538 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.41 CCNc1ccccc1OC CSC000219754 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.41 CCNc1ncccc1OC CSC011290862 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.41 CCOc1ccccc1CO CSC000708577 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.41 CCOc1ccccc1OC CSC000005897 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.41 CCOc1ccccc1SC CSC010366423 [0,0,0,0,0,0|2,1,0]=3 6 B11R1.41 CCSc1ccccc1OC CSC000055740 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.41 COc1ccccc1CCO CSC011218620 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.41 COc1ccccc1CSC CSC000053060 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.4 CCNc1ccccc1Cl CSC000219383 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.4 CCOc1ccccc1Cl CSC000169953 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.4 CCOc1ccccc1F CSC000172994 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.4 CCSc1ccccc1C CSC000053911 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.4 CCSc1ccccc1Cl CSC000006683 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.4 CSCc1ccccc1Br CSC000148299 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.4 CSCc1ccccc1Cl CSC000051354 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.20 COc1ccccc1SC CSC000037525 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.20 CSc1ccccc1C#N CSC011217975 [1,0,0,0,0,0|0,1,2]=4 18 B12R1.75 CCc1ccccc1NC(=O)N CSC011196910 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.75 COc1ccccc1CC(=O)N CSC000162009 [0,1,0,0,0,0|0,0,1]=2 20 B12R1.75 COc1ccccc1OC(=O)C CSC000002000 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.75 COc1ccccc1SC(C)C CSC000055741 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.77 CNC(=O)c1ccccc1OC CSC000159813 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.77 CNc1ccccc1C(=O)NN CSC000019922 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.77 COC(=O)c1ccccc1OC CSC000150339 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.77 COc1ccccc1C(=O)NN CSC000189102 [0,1,0,0,0,0|1,0,1]=3 26 B12R1.112 CCNc1ccc(cc1CC)Br CSC011290881 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.112 CCOc1ccc(cc1OC)Br CSC012344064 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.112 CCOc1ccc(cc1OC)C CSC000006307 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.121 CCCOc1ccccc1C#N CSC000170523 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.121 CCCOc1ccccc1CN CSC000185556 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.121 CCCOc1ccccc1CO CSC011232767 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.121 CCCOc1ccccc1SC CSC010368029 [0,1,0,0,0,0|1,1,0]=3 33 B12R1.121 CCCSc1ccccc1OC CSC000055745 [0,1,0,0,0,0|1,0,0]=2 34 B12R1.121 CCNCc1ccccc1OC CSC000186928 [0,1,0,0,0,0|1,0,0]=2 35 B12R1.121 CCSCc1ccccc1OC CSC000044553 [0,1,0,0,0,0|1,0,0]=2 36 B12R1.121 CCc1ccccc1NCCO CSC011233141 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.121 COc1ccccc1OCC=C CSC000006401 [0,1,0,0,0,0|1,0,1]=3 38 B12R1.121 COc1ccccc1OCCO CSC011305853 [0,1,0,0,0,0|1,0,0]=2 39 B12R1.121 COc1ccccc1SCC#N CSC011448407 [0,1,0,0,0,0|0,0,2]=3 40 B12R1.121 COc1ccccc1SCC=C CSC000055742 [0,1,0,0,0,0|1,0,1]=3 41 B12R1.121 COc1ccccc1SCCO CSC011448452 [0,1,0,0,0,0|1,0,0]=2 42 B12R1.121 OCCOc1ccccc1C#N CSC000193251 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.169 CCNc1ccccc1OCC CSC000221050 [0,1,0,0,0,0|2,0,0]=3 44 B12R1.169 CCOc1ccccc1CC=C CSC011198606 [0,1,0,0,0,0|1,0,1]=3 45 B12R1.169 CCOc1ccccc1CCO CSC011754905 [0,1,0,0,0,0|1,0,0]=2 46 B12R1.169 CCOc1ccccc1OCC CSC000170581 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.268 CCNc1cc(ccc1OC)C CSC000220794 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.268 CCNc1cc(ccc1OC)Cl CSC000220280 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.268 CCOc1cc(ccc1OC)Br CSC010219349 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.15 CNc1ccccc1Cl CSC000219374 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.15 COc1ccccc1Br CSC000174000 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.15 COc1ccccc1Cl CSC000169952 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.15 COc1ccccc1I CSC000210334 [2,0,0,0,0,0|1,0,0]=3 54 B9R1.15 CSc1ccccc1Br CSC000230855 [2,0,0,0,0,0|1,1,0]=4 55 B9R1.15 CSc1ccccc1Cl CSC000000335 [2,0,0,0,0,0|1,1,0]=4 56 B9R1.15 CSc1ccccc1F CSC000000233 [2,0,0,0,0,0|1,1,0]=4 57 B9R1.15 CSc1ccccc1O CSC011216402 [2,0,0,0,0,0|1,0,0]=3 58 B11R1.13 CCOc1cccc(c1C)Cl CSC010783795 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.17 CCCOc1ccccc1Br CSC000174042 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.17 CCCOc1ccccc1C CSC000169983 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.17 CCCOc1ccccc1F CSC000173322 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.17 CCCSc1ccccc1Br CSC000230854 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.17 CCCSc1ccccc1Cl CSC000006739 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.17 CCNCc1ccccc1F CSC000201217 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.17 CCSCc1ccccc1Cl CSC000044547 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.17 Cc1ccccc1NCC=C CSC011613358 [1,1,0,0,0,0|1,0,1]=4 67 B11R1.17 Cc1ccccc1NCCO CSC011233185 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.17 Cc1ccccc1OCC=C CSC000172067 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.17 Cc1ccccc1OCCO CSC011305843 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.17 Cc1cnccc1NCCN CSC011934644 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.17 FCCSc1ccccc1Br CSC010198681 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.17 NCCNc1ccncc1Br CSC013404666 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.17 NCCNc1ncccc1Br CSC011464841 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.17 OCCNc1ccccc1Br CSC011233104 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.17 OCCOc1ccccc1Cl CSC000230518 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.17 OCCOc1ccccc1F CSC000756447 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.17 OCCSc1ccccc1Br CSC000230852 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.17 OCCSc1ccccc1Cl CSC000230572 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.17 OCCSc1ccccc1F CSC000230732 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.81 CCNc1ccc(cc1C)Cl CSC000220351 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.81 CCOc1ccc(cc1C)Br CSC011308936 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.81 CCOc1ccc(cc1C)C CSC000174096 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.81 CCSc1ccc(cc1C)C CSC000006292 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.86 Cc1ccccc1NC(=O)N CSC000181700 [1,1,0,0,0,0|1,0,1]=4 85 B11R1.86 NC(=O)Cc1ccccc1Cl CSC000162363 [1,1,0,0,0,0|1,0,1]=4 86 B11R1.86 NC(=O)Cc1ccccc1F CSC000162305 [1,1,0,0,0,0|1,0,1]=4 87 B11R1.182 CCNc1cc(ccc1C)Cl CSC000221448 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.182 CCOc1cc(ccc1C)Br CSC012361169 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.182 CCSc1cc(ccc1C)C CSC000006290 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.222 NNC(=O)c1ccccc1O CSC000186518 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.605 CCNc1c(cccc1C)C CSC011645467 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.605 CCOc1c(cccc1C)C CSC011198585 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.37 CNc1cc(ccc1OC)C CSC000220787 [1,1,0,0,0,0|1,0,0]=3 94 B11R1.37 COc1cc(ccc1C#N)Br CSC000694671 [1,1,0,0,0,0|0,0,2]=4 95 B11R1.37 COc1ccc(cc1C#N)Br CSC000188252 [1,1,0,0,0,0|0,0,2]=4 96 B11R1.37 COc1ccc(cc1OC)C CSC000171720 [1,1,0,0,0,0|1,0,0]=3 97 B11R1.37 COc1ccc(cc1OC)Cl CSC000739261 [1,1,0,0,0,0|1,0,0]=3 98 B11R1.53 COc1ccccc1C(=O)N CSC000162176 [1,1,0,0,0,0|0,0,1]=3 99 B11R1.53 CSc1ccccc1C(=O)N CSC000162018 [1,1,0,0,0,0|0,1,1]=4 100 B13R1.91 CCC(=O)Nc1ccccc1OC CSC000153685 [0,2,0,0,0,0|1,0,1]=4 101 B13R1.91 COC(=O)Cc1ccccc1OC CSC000171725 [0,2,0,0,0,0|1,0,1]=4 102 B13R1.91 COc1ccccc1CC(=O)NN CSC000189968 [0,2,0,0,0,0|0,0,1]=3 103 B13R1.91 COc1ccccc1NC(=O)CN CSC000168439 [0,2,0,0,0,0|0,0,1]=3 104 B13R1.380 CC(=O)Oc1ccccc1CC=C CSC000051687 [0,2,0,0,0,0|1,0,1]=4 105 B13R1.380 CCCc1ccccc1NC(=O)C CSC011253081 [0,2,0,0,0,0|2,0,0]=4 106 B13R1.380 CCOc1ccccc1NC(=O)N CSC000238960 [0,2,0,0,0,0|1,0,1]=4 107 B13R1.622 COc1ccccc1OC(F)(F)F CSC000037442 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.3089 COc1ccc(cc1NC(=O)N)C CSC000238959 [0,2,0,0,0,0|1,0,1]=4 109 B13R1.3089 COc1ccc(cc1NC(=O)N)Cl CSC011208896 [0,2,0,0,0,0|1,0,1]=4 110 B13R1.382 CCOc1ccccc1C(=O)NN CSC000189797 [0,2,0,0,0,0|1,0,1]=4 111 B13R1.382 CCOc1ccccc1C(=O)OC CSC000148976 [0,2,0,0,0,0|2,0,0]=4 112 B13R1.382 COC(=O)c1ccccc1CC#N CSC000151593 [0,2,0,0,0,0|0,0,2]=4 113 B13R1.464 CCNC(=O)c1ccccc1OC CSC000160101 [0,2,0,0,0,0|1,0,1]=4 114 B13R1.464 CCNC(C)c1ccccc1OC CSC000229086 [0,2,0,0,0,0|1,0,0]=3 115 B13R1.464 CCOC(=O)c1ccccc1OC CSC000169928 [0,2,0,0,0,0|1,0,1]=4 116 B13R1.2209 CCC(=O)c1cc(ccc1OC)Cl CSC000757941 [0,2,0,0,0,0|1,0,1]=4 117 B13R1.2209 COc1ccc(cc1C(=O)NN)Br CSC011203042 [0,2,0,0,0,0|1,0,1]=4 118 B13R1.73 CCCOc1ccc(cc1OC)Br CSC012344558 [0,2,0,0,0,0|1,0,0]=3 119 B13R1.73 COc1cc(ccc1OCC=C)Br CSC013996622 [0,2,0,0,0,0|1,0,1]=4 120 B13R1.84 CCCCOc1ccccc1SC CSC010368021 [0,2,0,0,0,0|1,1,0]=4 121 B13R1.84 CCCNCc1ccccc1OC CSC000189378 [0,2,0,0,0,0|1,0,0]=3 122 B13R1.84 COc1ccccc1SCCCO CSC011448454 [0,2,0,0,0,0|1,0,0]=3 123 B13R1.90 COc1ccccc1CNC(=O)C CSC000152208 [0,2,0,0,0,0|1,0,1]=4 124 B13R1.90 COc1ccccc1CNC(C)C CSC000195791 [0,2,0,0,0,0|1,0,0]=3 125 B13R1.90 CSc1ccccc1OCC(C)C CSC010368025 [0,2,0,0,0,0|1,1,0]=4 126 B13R1.485 CCCOc1ccccc1CC=C CSC000186537 [0,2,0,0,0,0|1,0,1]=4 127 B13R1.485 CCCOc1ccccc1CCO CSC012184286 [0,2,0,0,0,0|1,0,0]=3 128 B13R1.485 CCNCc1ccccc1OCC CSC000186936 [0,2,0,0,0,0|1,0,0]=3 129 B13R1.556 CCCOc1cc(ccc1OC)Br CSC011005684 [0,2,0,0,0,0|1,0,0]=3 130 B13R1.556 CCNCc1cc(ccc1OC)Br CSC000185655 [0,2,0,0,0,0|1,0,0]=3 131 B13R1.556 CCNCc1cc(ccc1OC)Br CSC000185655 [0,2,0,0,0,0|1,0,0]=3 132 B13R1.572 CCCOc1ccccc1C(=O)C CSC000173325 [0,2,0,0,0,0|2,0,0]=4 133 B13R1.3516 CCNCc1cccc(c1OC)Br CSC011470282 [0,2,0,0,0,0|1,0,0]=3 134 B13R1.355 CCOc1cc(ccc1OC)C#N CSC000188254 [0,2,0,0,0,0|2,0,0]=4 135 B13R2.582 COc1cccc2c1C(=O)CC2 CSC000068676 [0,1,0,1,0,0|1,0,1]=4 136 B13R2.1613 CCN1CCCc2c1cccc2 CSC000014527 [0,1,0,1,0,0|2,0,0]=4 137 B13R2.1613 COc1cccc2c1CCCC2 CSC010363777 [0,1,0,1,0,0|1,0,0]=3 138 B13R2.1 NCCN1CCc2c1cccc2 CSC000746702 [0,1,0,1,0,0|1,0,0]=3 139 B13R2.57 CCN1CCc2ccccc2C1 CSC046083894 [0,1,0,1,0,0|2,0,0]=4