0 B10R1.4 c1cc(c(nc1)CCO)Br FS010556 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.4 c1ccc(c(c1)CCO)Br FS000614 [0,0,0,0,0,0|2,0,0]=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|2,0,0]=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|2,1,0]=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 c1ccc(c(c1)C#N)I FS011377 [1,0,0,0,0,0|1,0,2]=4 13 B9R1.15 c1ccc(c(c1)CN)Br FS000826 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.15 c1ccc(c(c1)[Mg]Br)Cl FS410177 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.15 c1ccc(c(c1)[Mg]Br)Cl FS420172 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.15 c1cncc(c1Cl)CO FS001091 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.13 Cc1cccc(c1F)C[Mg]Br FS410046 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.13 Cc1cccc(c1F)C[Mg]Br FS420042 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.13 Cc1cccc(c1F)C[Zn]Br FS430104 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.13 Cc1cccc(c1F)C[Zn]Br FS430604 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.13 c1cc(c(c(c1)Cl)F)C[Zn]Br FS430014 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.13 c1cc(c(c(c1)Cl)F)C[Zn]Br FS430520 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.13 c1cc(c(c(c1)F)F)C[Zn]Br FS430051 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.13 c1cc(c(c(c1)F)F)C[Zn]Br FS430557 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.17 Cc1ccccc1OCC=O FS024107 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.17 c1ccc(c(c1)CCON)F FS009700 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.17 c1ccc(c(c1)CC[Zn]Br)Cl FS430537 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.17 c1ccc(c(c1)CC[Zn]Br)F FS430115 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.17 c1ccc(c(c1)CC[Zn]Br)F FS430615 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.17 c1ccc(c(c1)CC[Zn]Cl)Cl FS430030 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.17 c1ccc(c(c1)OCC=O)Br FS024104 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.17 c1ccc(c(c1)OCC=O)F FS024110 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.41 CCOc1ccccc1[Zn]Br FS430282 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.41 CCOc1ccccc1[Zn]Br FS430786 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.41 COCc1ccccc1[Zn]Br FS430493 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.41 COCc1ccccc1[Zn]Br FS430977 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.81 Cc1ccc(c(c1)C)C[Zn]Cl FS430072 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.81 c1cc(c(cc1Cl)F)C[Zn]Br FS430017 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.81 c1cc(c(cc1Cl)F)C[Zn]Br FS430523 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.81 c1cc(c(cc1F)Cl)C[Zn]Cl FS430020 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.81 c1cc(c(cc1F)Cl)C[Zn]Cl FS430526 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.81 c1cc(c(cc1F)F)C[Mg]Cl FS410351 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.86 C[C@@H](Cc1ccccc1O)O FS024562 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.86 C[C@H](Cc1ccccc1O)O FS024561 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.86 c1ccc(c(c1)O)OC(F)F FS010307 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.182 Cc1ccc(cc1C[Mg]Br)F FS410047 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.182 Cc1ccc(cc1C[Mg]Br)F FS420043 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.182 Cc1ccc(cc1C[Zn]Br)F FS430107 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.182 Cc1ccc(cc1C[Zn]Br)F FS430607 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.182 c1cc(c(cc1Cl)C[Zn]Br)F FS430019 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.182 c1cc(c(cc1Cl)C[Zn]Br)F FS430525 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.182 c1cc(c(cc1Cl)C[Zn]Cl)Cl FS430046 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.182 c1cc(c(cc1F)C[Mg]Br)Cl FS410013 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.182 c1cc(c(cc1F)C[Mg]Cl)F FS410026 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.182 c1cc(c(cc1F)C[Zn]Br)Cl FS430013 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.182 c1cc(c(cc1F)C[Zn]Br)Cl FS430519 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.182 c1cc(c(cc1F)C[Zn]Br)F FS430386 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.222 c1ccc(c(c1)C(=O)CBr)Br FS000057 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.605 CCOc1c(cccc1Br)F FS007641 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.605 Cc1cccc(c1C[Zn]Cl)C FS430073 [0,1,0,0,0,0|3,0,0]=4 61 B11R2.106 c1cc2c([n+](c1)[O-])CCC2 FS007519 [0,0,0,1,0,0|2,0,1]=4 62 B11R2.106 c1cc2c(c(c1)O)OCC2 FS010290 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.2 c1cc(cnc1)CO FS011361 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.2 c1cnccc1CBr FS000895 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.2 c1cnncc1CN FS009169 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.5 Cc1ccnnc1O FS009161 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.5 c1cc(c(nc1)S)O FS007365 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.5 c1cncc(c1N)I FS002088 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.1 c1cc(ccc1CCN)Br FS000610 [1,1,0,0,0,0|0,0,0]=2 70 B10R1.1 c1cc(ccc1CCO)Br FS000612 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.1 c1cc(ccc1CON)F FS001336 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.1 c1cc(ccc1C[Zn]Cl)Br FS430385 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.1 c1cc(ccc1C[Zn]Cl)Br FS430881 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.10 c1cc(cc(c1)F)CON FS001338 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.15 CC(CO)c1ccccn1 FS010750 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.15 CC(c1ccccc1)[Zn]Cl FS430376 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.15 CC(c1ccccc1)[Zn]Cl FS430876 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.17 C=COCc1ccccc1 FS010248 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.17 CNCCc1ccccn1 FS000818 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.17 c1ccc(cc1)C#CCO FS000843 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.17 c1ccc(cc1)CCCBr FS410094 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.17 c1ccc(cc1)CCON FS001332 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.17 c1ccnc(c1)CCON FS009095 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.2 COc1cccc(c1Br)F FS008005 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.2 COc1cccc(c1F)Br FS007289 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.20 CCc1ccccc1[Zn]Br FS430096 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.20 CCc1ccccc1[Zn]Br FS430597 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.20 COc1ccccc1[Zn]Br FS430141 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.20 COc1ccccc1[Zn]Br FS430641 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.20 CSc1ccccc1[Zn]Br FS430182 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.20 CSc1ccccc1[Zn]Br FS430681 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.25 c1cc(c(cc1Br)O)C=O FS000352 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.61 CC(C)c1ccccc1I FS011362 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.61 c1ccc(c(c1)C(=O)N)Br FS000820 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.61 c1ccc(c(c1)C(F)F)Br FS410157 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.61 c1ccc(c(c1)C(F)F)O FS010306 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.245 Cc1cccc(c1OC)O FS010289 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.245 c1cc(c(c(c1)Br)C#N)O FS008057 [1,1,0,0,0,0|0,0,2]=4 99 B12R1.497 CCOc1c(ccc(c1O)F)Br FS008061 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.121 CCCOc1ccccc1[Zn]Br FS430286 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.121 CCCOc1ccccc1[Zn]Br FS430790 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.121 CCCSc1ccccc1[Zn]Br FS430287 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.121 CCCSc1ccccc1[Zn]Br FS430791 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.121 CCOCc1ccccc1[Zn]Br FS430496 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.121 CCOCc1ccccc1[Zn]Br FS430980 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.121 COc1ccccc1CCON FS009706 [0,2,0,0,0,0|0,0,0]=2 107 B12R1.121 COc1ccccc1CC[Zn]Br FS430138 [0,2,0,0,0,0|1,0,0]=3 108 B12R1.121 COc1ccccc1CC[Zn]Br FS430638 [0,2,0,0,0,0|1,0,0]=3 109 B12R1.121 COc1ccccc1OCCN FS011323 [0,2,0,0,0,0|0,0,0]=2 110 B12R1.125 c1ccc(c(c1)OCC(F)F)Br FS007271 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.125 c1ccc(c(c1)SCC(F)F)Br FS007972 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.267 c1ccc(c(c1)OCCCF)Br FS007269 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.1631 CCCOc1c(cccc1Br)F FS007642 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.1631 CCCOc1c(cccc1Br)O FS007921 [0,2,0,0,0,0|1,0,0]=3 115 B12R1.1631 c1cc(c(c(c1)Br)OCCBr)F FS009155 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.268 COc1ccc(cc1C[Mg]Br)F FS410149 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.268 COc1ccc(cc1C[Mg]Br)F FS420144 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.268 COc1ccc(cc1C[Zn]Br)F FS430249 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.268 COc1ccc(cc1C[Zn]Br)F FS430752 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.1095 CCOc1c(cc(cc1Br)C)O FS007924 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.1095 CCOc1c(cc(cc1Br)F)O FS007925 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.1009 CC(C)Oc1c(cccc1Br)O FS007918 [0,2,0,0,0,0|2,0,0]=4 123 B12R2.1081 c1c2c(c(cn1)Br)NCCN2 FS022220 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.8 c1cc(sc1)CCO FS011370 [1,0,0,0,1,0|2,0,0]=4