0 B10R1.4 c1cc(c(nc1)CCO)Br FS010556 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.4 c1ccc(c(c1)CCO)Br FS000614 [0,0,0,0,0,0|1,1,0]=2 2 B9R1.8 c1ccnc(c1)CCO FS011369 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.8 c1cnc(nc1)CCO FS010751 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.8 c1cnccc1CON FS009092 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 c1cncnc1CCO FS010754 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.8 c1cnncc1CCN FS009167 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.15 CCc1ccncc1Br FS007509 [1,0,0,0,0,0|1,1,0]=3 8 B9R1.15 CCc1ccncc1N FS009315 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.15 COc1cccnc1S FS007350 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.15 Cc1ccccc1[Zn]Br FS430172 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.15 Cc1ccccc1[Zn]Br FS430671 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.15 c1cc(c(nc1)F)[Zn]Br FS430383 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.15 c1cc(c(nc1)F)[Zn]Br FS430880 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.15 c1cc(c(nc1)[Zn]Br)F FS430370 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.15 c1cc(c(nc1)[Zn]Br)F FS430873 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.15 c1ccc(c(c1)C#N)I FS011377 [1,0,0,0,0,0|0,1,2]=4 17 B9R1.15 c1ccc(c(c1)CN)Br FS000826 [1,0,0,0,0,0|0,1,0]=2 18 B9R1.15 c1ccc(c(c1)[Mg]Br)Cl FS410177 [1,0,0,0,0,0|2,1,0]=4 19 B9R1.15 c1ccc(c(c1)[Mg]Br)Cl FS420172 [1,0,0,0,0,0|2,1,0]=4 20 B9R1.15 c1cncc(c1Cl)CO FS001091 [1,0,0,0,0,0|2,1,0]=4 21 B11R1.13 Cc1cccc(c1F)C[Mg]Br FS410046 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.13 Cc1cccc(c1F)C[Mg]Br FS420042 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.13 Cc1cccc(c1F)C[Zn]Br FS430104 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.13 Cc1cccc(c1F)C[Zn]Br FS430604 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.13 c1cc(c(c(c1)Cl)F)C[Zn]Br FS430014 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.13 c1cc(c(c(c1)Cl)F)C[Zn]Br FS430520 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.13 c1cc(c(c(c1)F)F)C[Zn]Br FS430051 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.13 c1cc(c(c(c1)F)F)C[Zn]Br FS430557 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.17 Cc1ccccc1OCC=O FS024107 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.17 c1ccc(c(c1)CCON)F FS009700 [0,1,0,0,0,0|0,0,0]=1 31 B11R1.17 c1ccc(c(c1)CC[Zn]Br)Cl FS430537 [0,1,0,0,0,0|1,1,0]=3 32 B11R1.17 c1ccc(c(c1)CC[Zn]Br)F FS430115 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.17 c1ccc(c(c1)CC[Zn]Br)F FS430615 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.17 c1ccc(c(c1)CC[Zn]Cl)Cl FS430030 [0,1,0,0,0,0|1,1,0]=3 35 B11R1.17 c1ccc(c(c1)OCC=O)Br FS024104 [0,1,0,0,0,0|1,1,1]=4 36 B11R1.17 c1ccc(c(c1)OCC=O)F FS024110 [0,1,0,0,0,0|1,0,1]=3 37 B11R1.41 CCOc1ccccc1[Zn]Br FS430282 [0,1,0,0,0,0|2,1,0]=4 38 B11R1.41 CCOc1ccccc1[Zn]Br FS430786 [0,1,0,0,0,0|2,1,0]=4 39 B11R1.41 COCc1ccccc1[Zn]Br FS430493 [0,1,0,0,0,0|2,1,0]=4 40 B11R1.41 COCc1ccccc1[Zn]Br FS430977 [0,1,0,0,0,0|2,1,0]=4 41 B11R1.81 Cc1ccc(c(c1)C)C[Zn]Cl FS430072 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.81 c1cc(c(cc1Cl)F)C[Zn]Br FS430017 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.81 c1cc(c(cc1Cl)F)C[Zn]Br FS430523 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.81 c1cc(c(cc1F)Cl)C[Zn]Cl FS430020 [0,1,0,0,0,0|2,1,0]=4 45 B11R1.81 c1cc(c(cc1F)Cl)C[Zn]Cl FS430526 [0,1,0,0,0,0|2,1,0]=4 46 B11R1.81 c1cc(c(cc1F)F)C[Mg]Cl FS410351 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.86 C[C@@H](Cc1ccccc1O)O FS024562 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.86 C[C@H](Cc1ccccc1O)O FS024561 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.86 c1ccc(c(c1)O)OC(F)F FS010307 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.182 Cc1ccc(cc1C[Mg]Br)F FS410047 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.182 Cc1ccc(cc1C[Mg]Br)F FS420043 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.182 Cc1ccc(cc1C[Zn]Br)F FS430107 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.182 Cc1ccc(cc1C[Zn]Br)F FS430607 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.182 c1cc(c(cc1Cl)C[Zn]Br)F FS430019 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.182 c1cc(c(cc1Cl)C[Zn]Br)F FS430525 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.182 c1cc(c(cc1Cl)C[Zn]Cl)Cl FS430046 [0,1,0,0,0,0|2,1,0]=4 57 B11R1.182 c1cc(c(cc1F)C[Mg]Br)Cl FS410013 [0,1,0,0,0,0|2,1,0]=4 58 B11R1.182 c1cc(c(cc1F)C[Mg]Cl)F FS410026 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.182 c1cc(c(cc1F)C[Zn]Br)Cl FS430013 [0,1,0,0,0,0|2,1,0]=4 60 B11R1.182 c1cc(c(cc1F)C[Zn]Br)Cl FS430519 [0,1,0,0,0,0|2,1,0]=4 61 B11R1.182 c1cc(c(cc1F)C[Zn]Br)F FS430386 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.222 c1ccc(c(c1)C(=O)CBr)Br FS000057 [0,1,0,0,0,0|1,1,1]=4 63 B11R1.605 CCOc1c(cccc1Br)F FS007641 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.605 Cc1cccc(c1C[Zn]Cl)C FS430073 [0,1,0,0,0,0|3,0,0]=4 65 B11R2.106 c1cc2c([n+](c1)[O-])CCC2 FS007519 [0,0,0,1,0,0|3,0,0]=4 66 B11R2.106 c1cc2c(c(c1)O)OCC2 FS010290 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.2 c1cc(cnc1)CO FS011361 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 c1cnccc1CBr FS000895 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.2 c1cnncc1CN FS009169 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.5 c1cc(c(nc1)F)Br FS001113 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.5 c1cncc(c1N)I FS002088 [2,0,0,0,0,0|1,1,0]=4 72 B10R1.1 c1cc(ccc1CCN)Br FS000610 [1,1,0,0,0,0|0,0,0]=2 73 B10R1.1 c1cc(ccc1CCO)Br FS000612 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.1 c1cc(ccc1CON)F FS001336 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.1 c1cc(ccc1C[Zn]Cl)Br FS430385 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.1 c1cc(ccc1C[Zn]Cl)Br FS430881 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.10 c1cc(cc(c1)F)CON FS001338 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.15 CC(CO)c1ccccn1 FS010750 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.15 CC(c1ccccc1)[Zn]Cl FS430376 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.15 CC(c1ccccc1)[Zn]Cl FS430876 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.17 C=COCc1ccccc1 FS010248 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.17 CNCCc1ccccn1 FS000818 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.17 c1ccc(cc1)C#CCO FS000843 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.17 c1ccc(cc1)CCCBr FS410094 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.17 c1ccc(cc1)CCON FS001332 [1,1,0,0,0,0|0,0,0]=2 86 B10R1.17 c1ccnc(c1)CCON FS009095 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.2 COc1cccc(c1Br)F FS008005 [1,1,0,0,0,0|1,1,0]=4 88 B10R1.2 COc1cccc(c1F)Br FS007289 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.2 c1cc(c(c(c1)[Zn]Br)F)F FS430381 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.2 c1cc(c(c(c1)[Zn]Br)F)F FS430878 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.2 c1cnc(c(c1CCl)F)Br FS023204 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.20 CCc1ccccc1[Zn]Br FS430096 [1,1,0,0,0,0|0,1,0]=3 93 B10R1.20 CCc1ccccc1[Zn]Br FS430597 [1,1,0,0,0,0|0,1,0]=3 94 B10R1.20 COc1ccccc1[Zn]Br FS430141 [1,1,0,0,0,0|1,1,0]=4 95 B10R1.20 COc1ccccc1[Zn]Br FS430641 [1,1,0,0,0,0|1,1,0]=4 96 B10R1.20 CSc1ccccc1[Zn]Br FS430182 [1,1,0,0,0,0|1,1,0]=4 97 B10R1.20 CSc1ccccc1[Zn]Br FS430681 [1,1,0,0,0,0|1,1,0]=4 98 B10R1.25 Cc1ccc(c(c1)F)[Zn]Br FS430379 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.61 B(c1ccccc1F)(O)O FS000050 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.61 CC(C)c1ccccc1I FS011362 [1,1,0,0,0,0|0,1,0]=3 101 B10R1.61 c1ccc(c(c1)C(=O)N)Br FS000820 [1,1,0,0,0,0|0,1,1]=4 102 B10R1.61 c1ccc(c(c1)C(F)F)Br FS410157 [1,1,0,0,0,0|1,1,0]=4 103 B10R1.61 c1ccc(c(c1)C(F)F)O FS010306 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.245 Cc1cccc(c1OC)O FS010289 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.24 CC(c1cccc(c1F)Br)OC FS008029 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.24 c1cc(c(c(c1)Br)F)C(=O)CBr FS009805 [0,2,0,0,0,0|1,0,1]=4 107 B12R1.25 C=CCOc1cccc(c1F)Br FS010127 [0,2,0,0,0,0|1,0,1]=4 108 B12R1.40 CCOc1cc(cc(c1F)F)Br FS007031 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.40 c1c(cc(c(c1C[Zn]Br)F)F)F FS430208 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.40 c1c(cc(c(c1C[Zn]Br)F)F)F FS430709 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.224 c1cc(c(c(c1)Br)F)CC(=O)O FS007290 [0,2,0,0,0,0|1,0,1]=4 112 B12R1.497 Cc1ccc(c(c1F)C[Mg]Br)Cl FS410015 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.497 Cc1ccc(c(c1F)C[Zn]Br)F FS430057 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.497 Cc1ccc(c(c1F)C[Zn]Br)F FS430563 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.497 c1cc(c(c(c1F)C[Zn]Br)F)F FS430209 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.497 c1cc(c(c(c1F)C[Zn]Br)F)F FS430710 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.544 Cc1ccc(c(c1F)F)C[Mg]Br FS410028 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.544 Cc1ccc(c(c1F)F)C[Zn]Br FS430056 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.544 Cc1ccc(c(c1F)F)C[Zn]Br FS430562 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.544 c1cc(c(c(c1C[Zn]Br)F)F)F FS430207 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.544 c1cc(c(c(c1C[Zn]Br)F)F)F FS430708 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.121 CCCOc1ccccc1[Zn]Br FS430286 [0,2,0,0,0,0|1,1,0]=4 123 B12R1.121 CCCOc1ccccc1[Zn]Br FS430790 [0,2,0,0,0,0|1,1,0]=4 124 B12R1.121 CCCSc1ccccc1[Zn]Br FS430287 [0,2,0,0,0,0|1,1,0]=4 125 B12R1.121 CCCSc1ccccc1[Zn]Br FS430791 [0,2,0,0,0,0|1,1,0]=4 126 B12R1.121 CCOCc1ccccc1[Zn]Br FS430496 [0,2,0,0,0,0|1,1,0]=4 127 B12R1.121 CCOCc1ccccc1[Zn]Br FS430980 [0,2,0,0,0,0|1,1,0]=4 128 B12R1.121 COc1ccccc1CCON FS009706 [0,2,0,0,0,0|1,0,0]=3 129 B12R1.121 COc1ccccc1CC[Zn]Br FS430138 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.121 COc1ccccc1CC[Zn]Br FS430638 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.121 COc1ccccc1OCCN FS011323 [0,2,0,0,0,0|1,0,0]=3 132 B12R1.125 c1ccc(c(c1)OCC(F)F)Br FS007271 [0,2,0,0,0,0|1,1,0]=4 133 B12R1.125 c1ccc(c(c1)SCC(F)F)Br FS007972 [0,2,0,0,0,0|1,1,0]=4 134 B12R1.267 c1ccc(c(c1)OCCCF)Br FS007269 [0,2,0,0,0,0|1,1,0]=4 135 B12R1.1631 C=CCOc1c(cccc1Br)F FS007665 [0,2,0,0,0,0|1,0,1]=4 136 B12R1.1631 CCCOc1c(cccc1Br)F FS007642 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.1631 CCCOc1c(cccc1Br)O FS007921 [0,2,0,0,0,0|1,1,0]=4 138 B12R1.1631 c1cc(c(c(c1)Br)OCCBr)F FS009155 [0,2,0,0,0,0|1,0,0]=3 139 B12R1.1112 CCOc1c(cccc1[Mg]Br)F FS410268 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.1112 CCOc1c(cccc1[Mg]Br)F FS420263 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.1112 CCOc1c(cccc1[Zn]Br)F FS430338 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.1112 CCOc1c(cccc1[Zn]Br)F FS430842 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.114 CCOc1ccc(cc1F)[Zn]Br FS430302 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.114 CCOc1ccc(cc1F)[Zn]Br FS430806 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.233 c1cc(c(cc1Br)F)OC(F)F FS007107 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.233 c1cc(c(cc1O)F)OC(F)F FS010321 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.1095 c1c(cc(c(c1F)C[Zn]Br)F)F FS430211 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.1095 c1c(cc(c(c1F)C[Zn]Br)F)F FS430711 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.1123 c1c(c(cc(c1F)F)F)C[Mg]Cl FS410145 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.1123 c1c(c(cc(c1F)F)F)C[Mg]Cl FS420140 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.1123 c1c(c(cc(c1F)F)F)C[Zn]Br FS430210 [0,2,0,0,0,0|2,0,0]=4 152 B12R1.1123 c1c(c(cc(c1F)F)F)C[Zn]Cl FS430246 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.1123 c1c(c(cc(c1F)F)F)C[Zn]Cl FS430749 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.127 c1cc(c(cc1Br)OC(F)F)F FS007108 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.1009 c1cc(c(c(c1)Br)OC(F)F)F FS007114 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.270 CCOc1cc(ccc1F)[Zn]Br FS430340 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.270 CCOc1cc(ccc1F)[Zn]Br FS430844 [0,2,0,0,0,0|2,0,0]=4 158 B12R2.1081 c1c2c(c(cn1)Br)NCCN2 FS022220 [0,1,0,1,0,0|1,1,0]=4 159 B8R1.8 c1cc(sc1)CCO FS011370 [1,0,0,0,1,0|2,0,0]=4