0 B10R1.1 C#CCc1ccc(cc1)Br AB61388 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.1 C#CCc1ccc(cc1)Cl AB61380 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.1 C#CCc1ccc(cc1)F AB61384 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.1 C#CCc1ccc(cc1)I AB73225 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.1 C#CCc1ccc(cn1)Br AB73237 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.1 C#CCc1ccc(cn1)Cl AB73238 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.1 C#CCc1ccc(cn1)F AB73236 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.1 C#CCc1ccc(nc1)Br AB69172 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.1 C#CCc1ccc(nc1)Cl AB69169 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.1 CNCc1ccc(cn1)Br AB49704 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.1 CNCc1ccc(cn1)Cl AB67610 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.1 CNCc1ccc(cn1)F AB67668 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.1 CNCc1ccc(cn1)N AB67748 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.1 CNCc1ccc(nc1)Br AB67269 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.1 CNCc1ccc(nc1)Cl AB52618 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.1 Cc1ccc(cc1)\C=C\Br AB73509 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.1 Cc1ccc(cn1)CCN AB55173 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.1 Cc1ccc(cn1)CNC AB63786 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.1 Cc1ccc(nc1)CCN AB31467 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.1 Cc1ccc(nc1)CNC AB67504 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.1 c1c(cnc(n1)CC=O)Cl AB59163 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.1 c1cc(ccc1CC#N)F AB00175 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.1 c1cc(ccc1CC=O)F AB11805 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.1 c1cc(ccc1CC=O)N AB27688 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.1 c1cc(ccc1CCBr)N MB02970 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.1 c1cc(ccc1CCN)Br AB00934 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.1 c1cc(ccc1CCN)F AB03730 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.1 c1cc(ccc1CCN)N AB00936 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.1 c1cc(ccc1CCO)Br AB00280 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.1 c1cc(ccc1CNN)Br PB32548 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.1 c1cc(ccc1CNN)F PB20964 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.1 c1cc(ccc1N=[N+]=[N-])Br AB50568 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.1 c1cc(ccc1\C=C\Br)Br AB32162 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.1 c1cc(ccc1\C=C\Br)Cl AB32165 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.1 c1cc(ccc1\C=C\Br)F AB66443 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.1 c1cc(ccc1\C=N\O)Br AB06151 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.1 c1cc(ncc1Br)CC#N PB27797 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.1 c1cc(ncc1Br)CCN PB20258 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.1 c1cc(ncc1Br)CCO PB14792 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.1 c1cc(ncc1CC#N)Cl AB17555 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.1 c1cc(ncc1CCN)Br AB45460 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.1 c1cc(ncc1CCN)N AB76809 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.1 c1cc(ncc1Cl)CC#N AB55145 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.1 c1cc(ncc1F)CCN AB45484 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.1 c1cc(ncc1N)CCN AB67762 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.1 c1cc(ncc1O)CCN AB67805 [0,0,0,0,0,0|2,0,1]=3 55 B9R1.1 C#Cc1ccc(cc1)Cl PB21668 [1,0,0,0,0,0|1,0,2]=4 56 B9R1.1 C#Cc1ccc(nc1)O AB69001 [1,0,0,0,0,0|1,0,2]=4 57 B9R1.1 C=Cc1cnc(nc1)N MB09950 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.1 CCc1ccc(cn1)N AB63590 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.1 CCc1ccc(cn1)O MB03842 [1,0,0,0,0,0|1,0,1]=3 60 B9R1.1 CCc1ccc(nc1)Br MB10294 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.1 CNc1ccc(cn1)O AB69733 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.1 COc1ccc(cn1)O CB10969 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.1 CSc1ccc(cn1)O MB25590 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.1 Cc1ccc(cn1)C=C PB17233 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.1 Cc1ccc(cn1)C=O PB17503 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.1 Cc1ccc(cn1)CCl AB59938 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.1 Cc1ccc(cn1)CN PB20145 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.1 Cc1ccc(nc1)C=O AB31466 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.1 Cc1ccc(nc1)CCl AB59994 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.1 Cc1ccc(nc1)CN AB48926 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl MB03556 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.1 c1c(cnc(n1)C=O)O AB59744 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.1 c1c(cnc(n1)O)C=O AB58472 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.1 c1c(cnc(n1)O)CN AB58547 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.1 c1c(cnc(n1)O)CO AB63514 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.1 c1cc(ccc1CBr)Br AB00113 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.1 c1cc(ccc1CI)O MB06957 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.1 c1cc(ccc1CN)O AB11678 [1,0,0,0,0,0|1,0,0]=2 80 B9R1.1 c1cc(ncc1Br)C=O PB30785 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.1 c1cc(ncc1Br)CCl AB60010 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.1 c1cc(ncc1Br)CN AB23456 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.1 c1cc(ncc1Br)CO AB66533 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.1 c1cc(ncc1Br)CO PB18645 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.1 c1cc(ncc1C#N)O PB17354 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.1 c1cc(ncc1C=O)Br PB27654 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.1 c1cc(ncc1C=O)Cl PB18586 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.1 c1cc(ncc1C=O)F PB23560 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.1 c1cc(ncc1C=O)N PB19003 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.1 c1cc(ncc1CBr)F PB28287 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.1 c1cc(ncc1CCl)Br AB59933 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.1 c1cc(ncc1CCl)Cl AB03513 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.1 c1cc(ncc1CCl)Cl AB59950 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.1 c1cc(ncc1CCl)F PB13291 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.1 c1cc(ncc1CCl)N AB59930 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.1 c1cc(ncc1CN)Br AB27793 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.1 c1cc(ncc1CN)Cl PB17175 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.1 c1cc(ncc1CN)F PB19133 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.1 c1cc(ncc1CO)Br PB14409 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.1 c1cc(ncc1CO)Cl PB17199 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.1 c1cc(ncc1CO)F PB14327 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.1 c1cc(ncc1CO)N PB26211 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.1 c1cc(ncc1Cl)CN AB60187 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.1 c1cc(ncc1Cl)CO AB56068 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.1 c1cc(ncc1F)C=O AB42648 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.1 c1cc(ncc1F)CCl AB62501 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.1 c1cc(ncc1F)CN AB60189 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.1 c1cc(ncc1F)CO PB22210 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.1 c1cc(ncc1N)C=O AB67740 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.1 c1cc(ncc1N)CN AB23447 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.1 c1cc(ncc1N)CO AB31872 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.1 c1cc(ncc1O)C#N PB12442 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.1 c1cc(ncc1O)C=O AB59867 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.1 c1cc(ncc1O)CN MB14856 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.8 C#CCc1ccccn1 AB73234 [1,0,0,0,0,0|1,0,2]=4 118 B9R1.8 C#CCc1cccnc1 AB61408 [1,0,0,0,0,0|1,0,2]=4 119 B9R1.8 CNCc1ccccn1 AB10674 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.8 CNCc1cccnc1 AB01384 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.8 CNCc1ccncc1 AB02721 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.8 c1c(cncn1)CC=O AB57639 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.8 c1cc(cnc1)CCN AB04606 [1,0,0,0,0,0|2,0,1]=4 124 B9R1.8 c1cc(cnc1)CNN PB16271 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.8 c1ccc(cc1)NC#N MB01061 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,0,0,0,0,0|1,0,1]=3 127 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.8 c1ccnc(c1)CC#N AB00727 [1,0,0,0,0,0|2,0,1]=4 129 B9R1.8 c1ccnc(c1)CC=O AB61426 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.8 c1ccnc(c1)CCN AB00732 [1,0,0,0,0,0|2,0,1]=4 131 B9R1.8 c1ccnc(c1)CNN PB19014 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.8 c1cnc(cn1)CC=O AB57650 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.8 c1cnc(nc1)CC=O AB57641 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.8 c1cnccc1CCN AB01702 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.8 c1cnccc1CNN PB10342 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.8 c1cncnc1CC=O AB57648 [1,0,0,0,0,0|3,0,0]=4 137 B11R1.1 C=CCNc1ncc(cn1)Br AB15640 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [0,1,0,0,0,0|1,0,2]=4 139 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [0,1,0,0,0,0|1,0,2]=4 140 B11R1.1 CNCCc1ccc(cc1)F AB27731 [0,1,0,0,0,0|1,0,2]=4 141 B11R1.1 CNCCc1ccc(cc1)N AB27726 [0,1,0,0,0,0|1,0,2]=4 142 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [0,1,0,0,0,0|1,0,1]=3 143 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [0,1,0,0,0,0|1,0,2]=4 144 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [0,1,0,0,0,0|1,0,2]=4 145 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [0,1,0,0,0,0|1,0,1]=3 146 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [0,1,0,0,0,0|1,0,1]=3 147 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [0,1,0,0,0,0|1,0,1]=3 148 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [0,1,0,0,0,0|0,0,1]=2 149 B11R1.1 c1cc(ccc1CCCN)Br AB23350 [0,1,0,0,0,0|1,0,2]=4 150 B11R1.1 c1cc(ccc1CCCN)Cl AB23351 [0,1,0,0,0,0|1,0,2]=4 151 B11R1.1 c1cc(ccc1CCCN)F AB38689 [0,1,0,0,0,0|1,0,2]=4 152 B11R1.1 c1cc(ccc1CCCN)F AB66835 [0,1,0,0,0,0|1,0,2]=4 153 B11R1.1 c1cc(ccc1CCCN)N AB51238 [0,1,0,0,0,0|1,0,2]=4 154 B11R1.1 c1cc(ccc1CCCN)O AB07598 [0,1,0,0,0,0|0,0,2]=3 155 B11R1.1 c1cc(ccc1CCCO)Br CB11205 [0,1,0,0,0,0|1,0,2]=4 156 B11R1.1 c1cc(ccc1OCC#N)Cl PB28971 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.1 c1cc(ccc1OCCCl)Cl AB13874 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AB06566 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [0,1,0,0,0,0|1,0,2]=4 160 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [0,1,0,0,0,0|1,0,2]=4 161 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [0,1,0,0,0,0|1,0,2]=4 162 B11R1.20 CN(C)Cc1ccc(cc1)Br AB01531 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.20 CN(C)Cc1ccc(cc1)N AB01571 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [0,1,0,0,0,0|1,0,2]=4 165 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [0,1,0,0,0,0|1,0,2]=4 166 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [0,1,0,0,0,0|1,0,2]=4 167 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [0,1,0,0,0,0|1,0,2]=4 168 B11R1.20 Cc1ccc(cc1)CC(=N)N AB29086 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [0,1,0,0,0,0|1,0,2]=4 170 B11R1.20 Cc1ccc(cn1)CC(=O)O AB04515 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.20 Cc1ccc(nc1)CC(=O)O AB55198 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.20 c1cc(ccc1CC(=N)N)Br AB48908 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.20 c1cc(ccc1CC(=N)N)Cl AB29080 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.20 c1cc(ccc1CC(=N)N)F AB29082 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.20 c1cc(ccc1CC(=O)O)Br AB00367 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.20 c1cc(ccc1N=C(N)N)Cl AB04678 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.20 c1cc(ncc1Br)CC(=O)O PB31471 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.20 c1cc(ncc1CC(=O)O)Br AB71018 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.20 c1cc(ncc1CC(=O)O)Cl AB10318 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.20 c1cc(ncc1CC(=O)O)F AB55206 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.20 c1cc(ncc1F)CC(=O)O AB55200 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.20 c1cc(ncc1I)CC(=O)O PB21451 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [0,1,0,0,0,0|1,0,2]=4 184 B11R1.22 COC(=N)c1ccc(cc1)O AB01949 [0,1,0,0,0,0|1,0,2]=4 185 B11R1.22 C[C@@H](CN)c1ccc(cc1)Br AB85104 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.22 C[C@H](CN)c1ccc(cc1)Br AB85095 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.22 C[C@H](CN)c1ccc(cc1)F AB85098 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05249 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05288 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB07939 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB49987 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.22 c1cc(ccc1C(=O)C=O)Cl AB44429 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.22 c1cc(ccc1C(=O)C=O)F AB09010 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.22 c1cc(ccc1C(=O)C=O)O AB02263 [0,1,0,0,0,0|1,0,1]=3 195 B11R1.81 CNCc1ccc(cc1Cl)Cl PB15788 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.81 c1cc(c(cc1Cl)Cl)CNN PB13051 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.81 c1cc(c(cc1F)Cl)CNN PB17475 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.81 c1cc(c(cc1N)Cl)CC#N AB44259 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.83 C#CCc1ccc(cc1)C#N AB73218 [0,1,0,0,0,0|1,0,2]=4 200 B11R1.83 C#CCc1ccc(cc1)C=O AB61406 [0,1,0,0,0,0|0,0,3]=4 201 B11R1.83 CCCc1ccc(cc1)NN AB23596 [0,1,0,0,0,0|1,0,2]=4 202 B11R1.83 CNCc1ccc(cn1)OC AB67556 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.83 CNCc1ccc(nc1)OC AB67058 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.83 COc1ccc(cc1)CC#C AB61379 [0,1,0,0,0,0|0,0,2]=3 205 B11R1.83 COc1ccc(cc1)CC=O AB11810 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.83 COc1ccc(cc1)CCO AB00284 [0,1,0,0,0,0|1,0,1]=3 207 B11R1.83 COc1ccc(cc1)CNN PB19937 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.83 COc1ccc(cc1)\C=C\Br AB06149 [0,1,0,0,0,0|1,0,1]=3 209 B11R1.83 COc1ccc(cn1)CC#C AB69167 [0,1,0,0,0,0|1,0,2]=4 210 B11R1.83 COc1ccc(cn1)CCBr AB72327 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.83 COc1ccc(cn1)CCN AB45430 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.83 COc1ccc(nc1)CC#C AB73241 [0,1,0,0,0,0|1,0,2]=4 213 B11R1.83 COc1ccc(nc1)CC#N AB65289 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.83 COc1ccc(nc1)CCBr AB73197 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.83 COc1ccc(nc1)CCN AB65488 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.83 c1cc(ccc1CCN)CO AB30409 [0,1,0,0,0,0|1,0,1]=3 217 B11R1.83 c1cc(ccc1CCO)C#N CB10174 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.192 c1c(cnc(c1Cl)O)CCN AB84072 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.192 c1c(ncc(c1Cl)O)CCN AB84016 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.192 c1cc(c(nc1CCN)Cl)O AB84098 [0,1,0,0,0,0|2,0,1]=4 221 B11R2.36 C1C=C(C=C2C1=NC=C2)Br AB00482 [0,0,0,1,0,0|2,0,1]=4 222 B11R2.36 C1C=C(C=C2C1=NC=C2)Cl AB00485 [0,0,0,1,0,0|2,0,1]=4 223 B11R2.36 C1C=C(C=C2C1=NC=C2)F AB00483 [0,0,0,1,0,0|2,0,1]=4 224 B11R2.36 C1C=C(C=C2C1=NC=C2)I AB04939 [0,0,0,1,0,0|2,0,1]=4 225 B11R2.36 C1C=C(C=C2C1=NC=C2)O AB00494 [0,0,0,1,0,0|1,0,1]=3 226 B11R2.36 C1C=C(C=C2C1=NN=C2)O PB14272 [0,0,0,1,0,0|2,0,1]=4 227 B11R2.36 C1C=C2C(=CC=N2)N=C1O AB63944 [0,0,0,1,0,0|2,0,1]=4 228 B11R2.36 C1C=C2C=CN=C2C=C1O AB04037 [0,0,0,1,0,0|1,0,2]=4 229 B11R2.36 CC1=CC2C=CN=C2C=C1 PB24528 [0,0,0,1,0,0|2,0,1]=4 230 B11R2.36 Cc1ccc2c(c1)CNC2 AB49687 [0,0,0,1,0,0|2,0,1]=4 231 B11R2.36 Cc1ccc2c(c1)N=CC2 PB25888 [0,0,0,1,0,0|2,0,0]=3 232 B11R2.36 Cc1ccc2c(c1)N=NC2 MB04939 [0,0,0,1,0,0|3,0,0]=4 233 B11R2.36 Cc1ccc2c(c1)NCC2 MB04575 [0,0,0,1,0,0|2,0,1]=4 234 B11R2.36 Cc1ccc2c(c1)cco2 MB00739 [0,0,0,1,0,0|2,0,0]=3 235 B11R2.36 Cc1ccc2c(c1)scn2 AB09070 [0,0,0,1,0,0|3,0,0]=4 236 B11R2.36 Cc1ccc2c(n1)N=CC2 AB26035 [0,0,0,1,0,0|3,0,0]=4 237 B11R2.36 c1c(cnc2=NCC=c21)O PB25038 [0,0,0,1,0,0|2,0,1]=4 238 B11R2.36 c1cc(cc2c1cco2)Br PB12534 [0,0,0,1,0,0|2,0,1]=4 239 B11R2.36 c1cc(cc2c1cco2)N MB09331 [0,0,0,1,0,0|2,0,1]=4 240 B11R2.36 c1cc(cc2c1cco2)O MB06436 [0,0,0,1,0,0|1,0,1]=3 241 B11R2.36 c1cc(cc2c1ccs2)Br MB09702 [0,0,0,1,0,0|2,0,1]=4 242 B11R2.36 c1cc(nc2c1scc2)Cl PB25245 [0,0,0,1,0,0|3,0,0]=4 243 B11R2.36 c1cc2c(cc1Br)CCC2 MB07871 [0,0,0,1,0,0|1,0,2]=4 244 B11R2.36 c1cc2c(cc1Br)CNC2 PB29483 [0,0,0,1,0,0|2,0,1]=4 245 B11R2.36 c1cc2c(cc1Br)NCC2 MB04573 [0,0,0,1,0,0|2,0,1]=4 246 B11R2.36 c1cc2c(cc1Br)OCC2 MB06567 [0,0,0,1,0,0|2,0,1]=4 247 B11R2.36 c1cc2c(cc1Br)cno2 AB26012 [0,0,0,1,0,0|3,0,0]=4 248 B11R2.36 c1cc2c(cc1Br)con2 MB19408 [0,0,0,1,0,0|3,0,0]=4 249 B11R2.36 c1cc2c(cc1Br)nco2 AB13423 [0,0,0,1,0,0|3,0,0]=4 250 B11R2.36 c1cc2c(cc1Br)ncs2 AB12828 [0,0,0,1,0,0|3,0,0]=4 251 B11R2.36 c1cc2c(cc1Br)ocn2 AB13141 [0,0,0,1,0,0|3,0,0]=4 252 B11R2.36 c1cc2c(cc1Br)scn2 AB19945 [0,0,0,1,0,0|3,0,0]=4 253 B11R2.36 c1cc2c(cc1Cl)CNC2 MB09657 [0,0,0,1,0,0|2,0,1]=4 254 B11R2.36 c1cc2c(cc1Cl)cns2 MB19427 [0,0,0,1,0,0|3,0,0]=4 255 B11R2.36 c1cc2c(cc1Cl)con2 MB03067 [0,0,0,1,0,0|3,0,0]=4 256 B11R2.36 c1cc2c(cc1Cl)ncs2 AB04988 [0,0,0,1,0,0|3,0,0]=4 257 B11R2.36 c1cc2c(cc1Cl)ocn2 AB49155 [0,0,0,1,0,0|3,0,0]=4 258 B11R2.36 c1cc2c(cc1Cl)scn2 AB09074 [0,0,0,1,0,0|3,0,0]=4 259 B11R2.36 c1cc2c(cc1F)CNC2 MB03627 [0,0,0,1,0,0|2,0,1]=4 260 B11R2.36 c1cc2c(cc1F)NCC2 AB01334 [0,0,0,1,0,0|2,0,1]=4 261 B11R2.36 c1cc2c(cc1F)nco2 AB45629 [0,0,0,1,0,0|3,0,0]=4 262 B11R2.36 c1cc2c(cc1F)ncs2 AB26031 [0,0,0,1,0,0|3,0,0]=4 263 B11R2.36 c1cc2c(cc1F)scn2 AB26019 [0,0,0,1,0,0|3,0,0]=4 264 B11R2.36 c1cc2c(cc1I)CNC2 MB11263 [0,0,0,1,0,0|2,0,1]=4 265 B11R2.36 c1cc2c(cc1I)ncs2 AB26029 [0,0,0,1,0,0|3,0,0]=4 266 B11R2.36 c1cc2c(cc1I)scn2 AB26022 [0,0,0,1,0,0|3,0,0]=4 267 B11R2.36 c1cc2c(cc1N)CCC2 CB10015 [0,0,0,1,0,0|1,0,2]=4 268 B11R2.36 c1cc2c(cc1N)CNC2 AB50244 [0,0,0,1,0,0|2,0,1]=4 269 B11R2.36 c1cc2c(cc1N)NCC2 MB00375 [0,0,0,1,0,0|2,0,1]=4 270 B11R2.36 c1cc2c(cc1N)cno2 AB70278 [0,0,0,1,0,0|3,0,0]=4 271 B11R2.36 c1cc2c(cc1N)nco2 AB21693 [0,0,0,1,0,0|3,0,0]=4 272 B11R2.36 c1cc2c(cc1N)ncs2 AB19860 [0,0,0,1,0,0|3,0,0]=4 273 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [0,0,0,1,0,0|2,0,0]=3 274 B11R2.36 c1cc2c(cco2)cc1Br MB02701 [0,0,0,1,0,0|2,0,0]=3 275 B11R2.36 c1cc2c(cco2)cc1Cl AB62579 [0,0,0,1,0,0|2,0,0]=3 276 B11R2.36 c1cc2c(cco2)cc1F AB43937 [0,0,0,1,0,0|2,0,0]=3 277 B11R2.36 c1cc2c(cco2)cc1N AB20798 [0,0,0,1,0,0|2,0,0]=3 278 B11R2.36 c1cc2c(cco2)cc1O MB08821 [0,0,0,1,0,0|1,0,0]=2 279 B11R2.36 c1cc2c(ccs2)cc1Br PB18576 [0,0,0,1,0,0|2,0,0]=3 280 B11R2.36 c1cc2nccn2cc1Br PB20174 [0,0,0,1,0,0|3,0,0]=4 281 B11R2.36 c1cc2nccn2cc1Cl AB21919 [0,0,0,1,0,0|3,0,0]=4 282 B11R2.36 c1cc2nccn2cc1N PB12399 [0,0,0,1,0,0|3,0,0]=4 283 B11R2.36 c1cc2nccn2cc1O AB28902 [0,0,0,1,0,0|2,0,0]=3 284 B11R2.36 c1cnn2c1cc(cc2)Br PB11898 [0,0,0,1,0,0|3,0,0]=4 285 B11R2.36 c1cnn2c1cc(cc2)O AB44250 [0,0,0,1,0,0|2,0,0]=3 286 B11R2.36 c1cnn2c1nc(cc2)O AB16973 [0,0,0,1,0,0|3,0,0]=4 287 B11R2.36 c1coc2c1cc(cn2)N PB28491 [0,0,0,1,0,0|3,0,0]=4 288 B11R2.36 c1csc2c1cc(cn2)N PB15184 [0,0,0,1,0,0|3,0,0]=4 289 B11R2.36 c1csc2c1cc(nc2)Cl PB13799 [0,0,0,1,0,0|3,0,0]=4 290 B8R1.2 c1cc(cnc1)C=O AB00744 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.2 c1cc(cnc1)CCl AB01984 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.2 c1cc(cnc1)CN AB00752 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.2 c1ccnc(c1)C=O AB00680 [2,0,0,0,0,0|2,0,0]=4 294 B8R1.2 c1ccnc(c1)CBr MB02148 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.2 c1ccnc(c1)CCl AB22495 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.2 c1ccnc(c1)CN AB00731 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.2 c1cnccc1C=O AB00754 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.2 c1cnccc1CCl AB15539 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.2 c1cnccc1CN AB00767 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.3 Cc1ccc(cn1)Br AB06624 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.3 Cc1ccc(cn1)Cl AB17956 [2,0,0,0,0,0|2,0,0]=4 302 B8R1.3 Cc1ccc(cn1)F PB18589 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.3 Cc1ccc(cn1)N PB32227 [2,0,0,0,0,0|2,0,0]=4 304 B8R1.3 Cc1ccc(cn1)O PB30543 [2,0,0,0,0,0|1,0,0]=3 305 B8R1.3 Cc1ccc(nc1)Br PB17145 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.3 Cc1ccc(nc1)Cl AB07104 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.3 Cc1ccc(nc1)F AB01857 [2,0,0,0,0,0|2,0,0]=4 308 B8R1.3 Cc1ccc(nc1)N AB17938 [2,0,0,0,0,0|2,0,0]=4 309 B8R1.3 Cc1ccc(nc1)O AB13138 [2,0,0,0,0,0|1,0,0]=3 310 B8R1.3 Cc1ncc(cn1)O AB54467 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.3 c1cc(ncc1Br)O AB05097 [2,0,0,0,0,0|2,0,0]=4 312 B8R1.3 c1cc(ncc1I)O AB05112 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.3 c1cc(ncc1N)O AB15078 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.3 c1cc(ncc1O)Br PB15771 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.3 c1cc(ncc1O)Cl PB32188 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.3 c1cc(ncc1O)F AB08123 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.3 c1cc(ncc1O)I AB50021 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.3 c1cc(ncc1O)N AB15563 [2,0,0,0,0,0|2,0,0]=4 319 B10R1.3 C#Cc1ccc(cc1)C=O AB22364 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.3 CCc1ccc(cc1)NN AB10141 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.3 COc1ccc(cc1)C#N AB00162 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.3 COc1ccc(cc1)NN AB11940 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.3 COc1ccc(cn1)CCl AB59942 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.3 COc1ccc(cn1)CCl AB59945 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.3 COc1ccc(cn1)CN PB34107 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.3 COc1ccc(cn1)CO PB17339 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.3 COc1ccc(nc1)C=O PB17495 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.3 COc1ccc(nc1)CCl AB59864 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.3 COc1ccc(nc1)CCl PB31547 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.3 COc1ccc(nc1)CN AB59858 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.3 COc1ccc(nc1)CO PB32580 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.3 CSc1ccc(cc1)CCl AB05549 [1,1,0,0,0,0|1,1,0]=4 333 B10R1.3 CSc1ccc(cc1)CO AB00982 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.3 c1cc(ccc1CN)CO AB23442 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.3 c1cc(ncc1CO)CN AB63417 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.3 c1cc(ncc1CO)CO AB14995 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.13 B(c1ccc(cc1)O)(O)O AB08076 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [1,1,0,0,0,0|0,0,0]=2 339 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.13 CC(C)c1ccc(cn1)O MB08432 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.13 c1cc(ncc1O)C(F)F AB74785 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.25 CCc1ccc(cc1Br)O MB23966 [1,1,0,0,0,0|0,0,1]=3 362 B10R1.25 CCc1ccc(cc1C)O MB23913 [1,1,0,0,0,0|0,0,1]=3 363 B10R1.25 CCc1ccc(cc1Cl)O MB23969 [1,1,0,0,0,0|0,0,1]=3 364 B10R1.25 CCc1ccc(cc1F)O MB14963 [1,1,0,0,0,0|0,0,1]=3 365 B10R1.25 CCc1ccc(cc1I)O MB23946 [1,1,0,0,0,0|0,0,1]=3 366 B10R1.25 CCc1ccc(cc1N)O MB23949 [1,1,0,0,0,0|0,0,1]=3 367 B10R1.25 CCc1ccc(cc1O)Br MB23992 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.25 CCc1ccc(cc1O)F MB23841 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.25 CCc1ccc(cc1O)I MB23846 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.25 CCc1ccc(cc1O)N MB23852 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.25 CNc1ccc(cc1F)O MB31256 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.25 CNc1ccc(cc1I)O MB37121 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.25 CNc1ccc(cc1N)O MB30558 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.25 COc1ccc(cc1Cl)O MB13556 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.25 COc1ccc(cc1I)O MB26647 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.25 COc1ccc(cc1N)O MB34521 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.25 CSc1ccc(cc1Br)O MB25524 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.25 CSc1ccc(cc1Cl)O MB38487 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.25 CSc1ccc(cc1F)O MB25544 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.25 CSc1ccc(cc1N)O MB34593 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.25 Cc1cc(ccc1C#N)O MB23389 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.25 Cc1cc(ccc1NC)O MB05083 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.25 Cc1cc(ccc1OC)O MB07842 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.25 Cc1ccc(c(c1)N)C=O AB58436 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.25 c1c(c(cnc1O)C=O)O AB69704 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.25 c1cc(c(cc1Br)Br)C=O AB66752 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.25 c1cc(c(cc1Br)N)C=O AB45657 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.25 c1cc(c(cc1Br)N)CO AB42495 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.25 c1cc(c(cc1Br)O)C=O AB23661 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.25 c1cc(c(cc1Br)O)CN MB08429 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.25 c1cc(c(cc1Cl)Br)C=O MB06997 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.25 c1cc(c(cc1Cl)Br)CO MB06939 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.25 c1cc(c(cc1Cl)N)C=O AB58432 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.25 c1cc(c(cc1Cl)O)C=O AB23660 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.25 c1cc(c(cc1Cl)O)CN MB26819 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.25 c1cc(c(cc1F)Br)C=O AB06851 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.25 c1cc(c(cc1F)Br)CO AB06857 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.25 c1cc(c(cc1F)N)C=O AB55874 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.25 c1cc(c(cc1F)N)CN AB50268 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.25 c1cc(c(cc1F)O)CN MB14866 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.25 c1cc(c(cc1I)O)C=O MB06220 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.25 c1cc(c(cc1I)O)CN MB10252 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.25 c1cc(c(cc1N)F)CBr AB56061 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.25 c1cc(c(cc1N)F)CN AB50282 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.25 c1cc(c(cc1N)O)C=O MB09039 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.25 c1cc(c(cc1N)O)CN MB10253 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.25 c1cc(c(cc1O)Br)C#N MB14756 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.25 c1cc(c(cc1O)Br)C=O MB25584 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.25 c1cc(c(cc1O)Cl)CN MB02722 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.25 c1cc(c(cc1O)F)C#N AB04647 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.25 c1cc(c(cc1O)F)CN MB02723 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.25 c1cc(c(cc1O)I)C#N MB14759 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.25 c1cc(c(cc1O)I)C=O MB25658 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.25 c1cc(c(cc1O)N)C#N MB14762 [1,1,0,0,0,0|1,0,1]=4 417 B10R1.25 c1cc(c(cc1O)N)C=O MB38477 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.25 c1cc(c(cc1O)N)CN MB29325 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [1,1,0,0,0,0|0,0,1]=3 420 B10R1.176 CCc1ccc(c(c1)Cl)O MB23911 [1,1,0,0,0,0|0,0,1]=3 421 B10R1.176 CCc1ccc(c(c1)F)O MB23895 [1,1,0,0,0,0|0,0,1]=3 422 B10R1.176 CCc1ccc(c(c1)I)O MB23898 [1,1,0,0,0,0|0,0,1]=3 423 B10R1.176 CCc1ccc(c(c1)N)O MB00456 [1,1,0,0,0,0|0,0,1]=3 424 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.176 CNc1ccc(c(c1)Br)O MB30977 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.176 CNc1ccc(c(c1)Cl)O MB15061 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.176 CNc1ccc(c(c1)F)O MB33460 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.176 CNc1ccc(c(c1)I)O MB28237 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.176 CNc1ccc(c(c1)N)O MB27818 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.176 COc1ccc(c(c1)Br)O AB10935 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.176 COc1ccc(c(c1)I)O MB07821 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.176 COc1ccc(c(c1)N)O AB25358 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.176 CSc1ccc(c(c1)Br)O MB09158 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.176 CSc1ccc(c(c1)Cl)O MB31036 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.176 CSc1ccc(c(c1)F)O MB25631 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.176 CSc1ccc(c(c1)I)O MB38361 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.176 CSc1ccc(c(c1)N)O MB34167 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.176 Cc1cc(ccc1Br)C=O AB42951 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.176 Cc1cc(ccc1Br)CO AB50387 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.176 Cc1cc(ccc1Cl)C=O AB11800 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.176 Cc1cc(ccc1O)C#N MB10144 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.176 Cc1cc(ccc1O)CN MB05062 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.176 Cc1cc(ccc1O)NC MB07546 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.176 Cc1ccc(cc1O)C=O MB01933 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.176 c1c(cnc(c1Cl)O)C=O AB20957 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.176 c1c(cnc(c1Cl)O)CCl AB70975 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.176 c1c(cnc(c1Cl)O)CN AB84069 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.176 c1c(ncc(c1Cl)O)C=O AB67780 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.176 c1c(ncc(c1Cl)O)CCl AB84011 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.176 c1c(ncc(c1Cl)O)CN AB84014 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.176 c1cc(c(cc1C#N)I)O MB09222 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.176 c1cc(c(cc1C=O)Cl)Br AB43050 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.176 c1cc(c(cc1C=O)I)F AB44172 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.176 c1cc(c(cc1C=O)I)O MB00259 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.176 c1cc(c(cc1C=O)N)O MB13575 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.176 c1cc(c(cc1C=O)O)Br MB09255 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.176 c1cc(c(cc1C=O)O)Cl MB25536 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.176 c1cc(c(cc1C=O)O)F MB09319 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.176 c1cc(c(cc1C=O)O)N MB34962 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.176 c1cc(c(cc1CBr)I)F AB44169 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.176 c1cc(c(cc1CN)Br)O MB02719 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.176 c1cc(c(cc1CN)Cl)O MB03734 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.176 c1cc(c(cc1CN)F)N AB50278 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.176 c1cc(c(cc1CN)F)O MB03723 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.176 c1cc(c(cc1CN)I)O MB27028 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.176 c1cc(c(cc1CN)N)O MB37291 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.176 c1cc(c(cc1CN)O)Br MB27292 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.176 c1cc(c(cc1CN)O)Cl MB25545 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.176 c1cc(c(cc1CN)O)F MB35973 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.176 c1cc(c(cc1CN)O)I MB25685 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.176 c1cc(c(cc1CN)O)N MB29053 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.176 c1cc(c(cc1CO)F)Br AB44195 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.176 c1cc(c(nc1C=O)Cl)O AB74848 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.176 c1cc(c(nc1CCl)Cl)O AB76573 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.176 c1cc(c(nc1CN)Cl)O AB84096 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.4 Cc1ccccc1CC=O AB11813 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.4 c1ccc(c(c1)CC#N)Br AB00169 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.4 c1ccc(c(c1)CC#N)F AB00172 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.10 C#CCc1cccc(c1)Br AB61399 [1,1,0,0,0,0|0,0,2]=4 489 B10R1.10 C#CCc1cccc(c1)Cl AB61396 [1,1,0,0,0,0|0,0,2]=4 490 B10R1.10 C#CCc1cccc(c1)I AB73228 [1,1,0,0,0,0|0,0,2]=4 491 B10R1.10 Cc1cccc(c1)CC=O AB11815 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.10 c1cc(cc(c1)Br)CC#N AB00173 [1,1,0,0,0,0|1,0,1]=4 493 B10R1.10 c1cc(cc(c1)Br)CC=O AB11787 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.10 c1cc(cc(c1)Br)CNN PB10474 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.10 c1cc(cc(c1)Br)\C=C\Br AB73510 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.10 c1cc(cc(c1)Cl)CNN PB23504 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.10 c1cc(cc(c1)F)CC=O AB11802 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.10 c1cc(cc(c1)F)CNN PB22082 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.10 c1cc(cc(c1)N)CC#N AB13852 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [1,1,0,0,0,0|1,0,1]=4 504 B10R1.10 c1cc(cc(c1)O)CC#N AB13855 [1,1,0,0,0,0|1,0,1]=4 505 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.17 c1cc(cnc1)CCC=O AB57626 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.17 c1ccc(cc1)CCC=O AB00823 [1,1,0,0,0,0|0,0,1]=3 511 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,1,0,0,0,0|0,0,2]=4 512 B10R1.17 c1ccnc(c1)CCC=O AB57635 [1,1,0,0,0,0|1,0,1]=4 513 B10R1.17 c1cnccc1CCC=O AB49299 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [1,1,0,0,0,0|1,0,1]=4 516 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [1,1,0,0,0,0|1,0,1]=4 517 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [1,1,0,0,0,0|0,0,2]=4 519 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [1,1,0,0,0,0|0,0,2]=4 520 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [1,1,0,0,0,0|1,0,0]=3 522 B12R1.1 COCCOc1ccc(cc1)O AB19320 [0,2,0,0,0,0|0,0,2]=4 523 B12R1.1 c1cc(ccc1CCCCN)O AB07609 [0,2,0,0,0,0|0,0,2]=4 524 B12R1.21 CC(=O)COc1ccc(cc1)Br AB26100 [0,2,0,0,0,0|1,0,1]=4 525 B12R1.21 CC(=O)COc1ccc(cc1)Cl AB26096 [0,2,0,0,0,0|1,0,1]=4 526 B12R1.21 CC(=O)COc1ccc(cc1)F AB26104 [0,2,0,0,0,0|1,0,1]=4 527 B12R1.21 CC(=O)COc1ccc(cc1)I AB26107 [0,2,0,0,0,0|1,0,1]=4 528 B12R1.21 Cc1ccc(cc1)CCC(=O)O AB01198 [0,2,0,0,0,0|1,0,1]=4 529 B12R1.21 Cc1ccc(cc1)OCC(=O)C AB26110 [0,2,0,0,0,0|1,0,1]=4 530 B12R1.21 c1cc(ccc1CCC(=O)O)Br AB08447 [0,2,0,0,0,0|1,0,1]=4 531 B12R1.21 c1cc(ccc1CCC(=O)O)Cl AB01196 [0,2,0,0,0,0|1,0,1]=4 532 B12R1.21 c1cc(ccc1CCC(=O)O)F AB02388 [0,2,0,0,0,0|1,0,1]=4 533 B12R1.21 c1cc(ccc1CCC(=O)O)N AB01235 [0,2,0,0,0,0|1,0,1]=4 534 B12R1.21 c1cc(ccc1CCC(=O)O)O AB00269 [0,2,0,0,0,0|0,0,1]=3 535 B12R1.21 c1cc(ccc1CNC(=N)N)N AB48587 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.21 c1cc(ccc1OCC(=N)N)F AB08309 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.21 c1cc(ccc1OCC(=O)O)Cl AB00355 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br AB00374 [0,2,0,0,0,0|1,0,1]=4 539 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl AB00377 [0,2,0,0,0,0|1,0,1]=4 540 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F AB00375 [0,2,0,0,0,0|1,0,1]=4 541 B12R1.49 COC(=N)Cc1ccc(cc1)Br AB60928 [0,2,0,0,0,0|1,0,1]=4 542 B12R1.49 COC(=N)Cc1ccc(cc1)Cl AB60925 [0,2,0,0,0,0|1,0,1]=4 543 B12R1.49 COC(=N)Cc1ccc(cc1)F AB60924 [0,2,0,0,0,0|1,0,1]=4 544 B12R1.49 COC(=O)Cc1ccc(cc1)Br PB24610 [0,2,0,0,0,0|1,0,1]=4 545 B12R1.49 Cc1ccc(cc1)CC(=N)OC AB60933 [0,2,0,0,0,0|1,0,1]=4 546 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O MB00396 [0,2,0,0,0,0|0,0,2]=4 547 B12R1.71 CNCCc1ccc(cc1)OC AB07595 [0,2,0,0,0,0|0,0,2]=4 548 B12R1.71 COc1ccc(cc1)CCC=O AB06888 [0,2,0,0,0,0|0,0,1]=3 549 B12R1.71 COc1ccc(cc1)CCCN AB07604 [0,2,0,0,0,0|0,0,2]=4 550 B12R1.71 COc1ccc(cc1)CCCO AB00287 [0,2,0,0,0,0|0,0,2]=4 551 B12R1.4 CC(=O)Cc1ccc(cc1)OC AB00957 [0,2,0,0,0,0|0,0,1]=3 552 B12R1.4 CC(Cc1ccc(cc1)OC)N MB01555 [0,2,0,0,0,0|0,0,2]=4 553 B12R1.4 COc1ccc(cc1)CC(=N)N AB09931 [0,2,0,0,0,0|1,0,0]=3 554 B12R1.4 COc1ccc(cn1)CC(=O)O AB55204 [0,2,0,0,0,0|2,0,0]=4 555 B12R1.4 C[C@@H](Cc1ccc(cc1)OC)N AB70588 [0,2,0,0,0,0|0,0,2]=4 556 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N AB51426 [0,2,0,0,0,0|0,0,2]=4 557 B12R1.4 c1cc(ccc1CC(=O)O)CN AB17066 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.20 C[C@H]([C@H](c1ccc(cc1)O)O)N MB00597 [0,2,0,0,0,0|0,0,2]=4 559 B12R1.20 Cc1ccc(cc1)C(C(=O)O)N AB06684 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.20 Cc1ccc(cc1)[C@H](C(=O)O)N AB32672 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br AB02090 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br AB20158 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.20 c1cc(ccc1C(C(=O)O)N)Cl AB02094 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.20 c1cc(ccc1C(C(=O)O)N)F AB02694 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.20 c1cc(ccc1C(C(=O)O)N)F AB24574 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.20 c1cc(ccc1C(C(=O)O)N)O AB02671 [0,2,0,0,0,0|1,0,0]=3 567 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)Cl AB15770 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F AB04848 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)Br AB32807 [0,2,0,0,0,0|2,0,0]=4 570 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)Cl AB16238 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)F AB01939 [0,2,0,0,0,0|2,0,0]=4 572 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O AB00341 [0,2,0,0,0,0|1,0,0]=3 573 B12R1.106 CC(C)(C)Cc1ccc(cc1)O AB16670 [0,2,0,0,0,0|0,0,2]=4 574 B12R1.106 CC(C)(Cc1ccc(cc1)O)N AB07591 [0,2,0,0,0,0|0,0,2]=4 575 B12R1.106 c1cc(ccc1CC(F)(F)F)O AB60686 [0,2,0,0,0,0|1,0,1]=4 576 B12R1.5 COc1ccc(cc1)C(=O)C=O AB05250 [0,2,0,0,0,0|1,0,1]=4 577 B12R1.5 COc1ccc(cc1)C(=O)C=O AB05286 [0,2,0,0,0,0|1,0,1]=4 578 B12R1.5 C[C@H](CN)c1ccc(cc1)OC AB85099 [0,2,0,0,0,0|1,0,1]=4 579 B12R1.544 c1cc(c(c(c1CC=O)F)F)Br AB31764 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.544 c1cc(c(c(c1CC=O)F)F)Cl AB31767 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.544 c1cc(c(c(c1CC=O)F)F)F AB24856 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.544 c1cc(c(c(c1CC=O)F)F)I AB31760 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.544 c1cc(c(c(c1CC=O)F)F)N AB31770 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.113 B(c1ccc(cc1)CC#C)(O)O AB73221 [0,2,0,0,0,0|0,0,2]=4 585 B12R1.113 B(c1ccc(cc1)CC#N)(O)O PB17220 [0,2,0,0,0,0|1,0,1]=4 586 B12R1.113 B(c1ccc(cc1)CCC)(O)O AB07462 [0,2,0,0,0,0|0,0,2]=4 587 B12R1.113 B(c1ccc(cc1)COC)(O)O AB16006 [0,2,0,0,0,0|1,0,1]=4 588 B12R1.113 CN(C)c1ccc(cc1)CC=O AB48491 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.113 c1cc(ccc1CC=O)[N+](=O)[O-] AB27687 [0,2,0,0,0,0|1,0,1]=4 590 B12R1.288 CNCc1ccc(c(c1)Cl)OC AB55520 [0,2,0,0,0,0|1,0,1]=4 591 B12R1.286 COc1cc(ccc1O)CC=O CB11185 [0,2,0,0,0,0|1,0,0]=3 592 B10R2.7 c1cc2c(cco2)nc1 PB26741 [1,0,0,1,0,0|2,0,0]=4 593 B10R2.7 c1cc2c(ccs2)nc1 PB25371 [1,0,0,1,0,0|2,0,0]=4 594 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [1,0,0,1,0,0|1,0,1]=4 595 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [1,0,0,1,0,0|2,0,0]=4 596 B10R2.7 c1ccn2c(c1)ccn2 AB48944 [1,0,0,1,0,0|2,0,0]=4 597 B10R2.7 c1ccn2cccc2c1 AB01491 [1,0,0,1,0,0|1,0,1]=4 598 B10R2.7 c1cncc2c1ccs2 MB02036 [1,0,0,1,0,0|2,0,0]=4 599 B12R2.24 c1cc(cc2c1ccnc2)Br PB34202 [0,1,0,1,0,0|1,0,1]=4 600 B12R2.24 c1cc(cc2c1ccnc2)Cl MB00648 [0,1,0,1,0,0|1,0,1]=4 601 B12R2.24 c1cc(cc2c1ccnc2)F MB09751 [0,1,0,1,0,0|1,0,1]=4 602 B12R2.24 c1cc(cc2c1ccnc2)I MB09748 [0,1,0,1,0,0|1,0,1]=4 603 B12R2.24 c1cc(cc2c1ccnc2)N MB06457 [0,1,0,1,0,0|1,0,1]=4 604 B12R2.24 c1cc(cc2c1ccnc2)O MB01177 [0,1,0,1,0,0|0,0,1]=3 605 B12R2.24 c1cc2c(cc1Br)C=CCO2 AB56471 [0,1,0,1,0,0|1,0,0]=3 606 B12R2.24 c1cc2c(cc1Br)cncn2 PB12515 [0,1,0,1,0,0|2,0,0]=4 607 B12R2.24 c1cc2c(cc1Br)nccn2 AB07430 [0,1,0,1,0,0|2,0,0]=4 608 B12R2.24 c1cc2c(cc1Cl)cncn2 MB09911 [0,1,0,1,0,0|2,0,0]=4 609 B12R2.24 c1cc2c(cc1I)cncn2 MB07778 [0,1,0,1,0,0|2,0,0]=4 610 B12R2.24 c1cc2c(cc1N)C=NCC2 AB44239 [0,1,0,1,0,0|1,0,1]=4 611 B12R2.24 c1cc2c(cc1N)cncn2 AB60729 [0,1,0,1,0,0|2,0,0]=4 612 B12R2.24 c1cc2c(cc1N)nccn2 AB06131 [0,1,0,1,0,0|2,0,0]=4 613 B12R2.24 c1cc2c(cc1O)CCNC2 AB09835 [0,1,0,1,0,0|0,0,2]=4 614 B12R2.24 c1cc2c(cc1O)CNCC2 MB05747 [0,1,0,1,0,0|0,0,2]=4 615 B12R2.24 c1cc2c(cc1O)NCCO2 AB06521 [0,1,0,1,0,0|1,0,1]=4 616 B12R2.24 c1cc2c(cc1O)NCCO2 MB00965 [0,1,0,1,0,0|1,0,1]=4 617 B12R2.24 c1cc2c(cc1O)OCCN2 MB09266 [0,1,0,1,0,0|1,0,1]=4 618 B12R2.24 c1cc2c(cc1O)cncn2 MB01173 [0,1,0,1,0,0|1,0,0]=3 619 B12R2.24 c1cc2cc(ccc2nc1)Br AB01417 [0,1,0,1,0,0|1,0,1]=4 620 B12R2.24 c1cc2ccc(cc2nc1)Br AB15717 [0,1,0,1,0,0|1,0,1]=4 621 B12R2.24 c1cc2cnccc2cc1Br PB29336 [0,1,0,1,0,0|1,0,1]=4 622 B12R2.24 c1cc2cnccc2cc1Cl MB08350 [0,1,0,1,0,0|1,0,1]=4 623 B12R2.24 c1cc2cnccc2cc1F MB09677 [0,1,0,1,0,0|1,0,1]=4 624 B12R2.24 c1cc2cnccc2cc1I MB09307 [0,1,0,1,0,0|1,0,1]=4 625 B12R2.24 c1cc2cnccc2cc1N AB19123 [0,1,0,1,0,0|1,0,1]=4 626 B12R2.24 c1cc2cnccc2cc1O AB19117 [0,1,0,1,0,0|0,0,1]=3 627 B12R2.24 c1cc2cncnc2cc1O AB60737 [0,1,0,1,0,0|1,0,1]=4 628 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [0,1,0,1,0,0|1,0,1]=4 629 B12R2.132 CC1=c2cc(ccc2=NC1)Br AB17162 [0,1,0,1,0,0|1,0,1]=4 630 B12R2.132 Cc1ccc2c(c1)C(=O)NC2 AB49680 [0,1,0,1,0,0|2,0,0]=4 631 B12R2.132 Cc1coc2c1cc(cc2)Br MB07839 [0,1,0,1,0,0|2,0,0]=4 632 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 PB34016 [0,1,0,1,0,0|1,0,1]=4 633 B12R2.132 c1cc2c(cc1Br)C(=O)CN2 AB27760 [0,1,0,1,0,0|2,0,0]=4 634 B12R2.132 c1cc2c(cc1Br)C(=O)NC2 PB29879 [0,1,0,1,0,0|2,0,0]=4 635 B12R2.132 c1cc2c(cc1Br)C(=O)OC2 PB15748 [0,1,0,1,0,0|2,0,0]=4 636 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 PB14192 [0,1,0,1,0,0|1,0,1]=4 637 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AB03274 [0,1,0,1,0,0|2,0,0]=4 638 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 MB05675 [0,1,0,1,0,0|2,0,0]=4 639 B12R2.132 c1cc2c(cc1Cl)c(co2)Br AB65773 [0,1,0,1,0,0|2,0,0]=4 640 B12R2.132 c1cc2c(cc1Cl)c(cs2)Br MB14444 [0,1,0,1,0,0|2,0,0]=4 641 B12R2.132 c1cc2c(cc1F)C(=O)CC2 AB08649 [0,1,0,1,0,0|1,0,1]=4 642 B12R2.132 c1cc2c(cc1F)C(=O)NC2 AB51004 [0,1,0,1,0,0|2,0,0]=4 643 B12R2.132 c1cc2c(cc1I)C(=O)OC2 PB34159 [0,1,0,1,0,0|2,0,0]=4 644 B12R2.132 c1cc2c(cc1N)C(=O)NC2 PB34386 [0,1,0,1,0,0|2,0,0]=4 645 B12R2.132 c1cc2c(cc1N)C(=O)OC2 PB15617 [0,1,0,1,0,0|2,0,0]=4 646 B12R2.132 c1cc2c(cc1O)C(=O)NC2 MB06080 [0,1,0,1,0,0|1,0,0]=3 647 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N PB30817 [0,1,0,1,0,0|0,0,2]=4 648 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N PB32707 [0,1,0,1,0,0|0,0,2]=4 649 B12R2.294 c1cc(ccc1O)OC2CC2 MB20165 [0,1,0,1,0,0|0,0,2]=4 650 B12R2.606 Cc1cc2cc(ccc2o1)I AB08838 [0,1,0,1,0,0|2,0,0]=4 651 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 AB42440 [0,1,0,1,0,0|1,0,1]=4 652 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 PB24760 [0,1,0,1,0,0|2,0,0]=4 653 B12R2.606 c1cc2c(cc1Br)cc(s2)N PB15286 [0,1,0,1,0,0|2,0,0]=4 654 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 AB04797 [0,1,0,1,0,0|2,0,0]=4 655 B12R2.606 c1cc2c(cc1F)NC(=O)C2 AB02036 [0,1,0,1,0,0|2,0,0]=4 656 B12R2.606 c1cc2c(cc1N)NC(=O)C2 PB17556 [0,1,0,1,0,0|2,0,0]=4 657 B12R2.606 c1cc2c(cc1O)NC(=O)C2 AB21813 [0,1,0,1,0,0|1,0,0]=3 658 B12R2.612 Cn1ccc2c1ncc(c2)O AB48843 [0,1,0,1,0,0|2,0,0]=4 659 B12R2.612 c1cc2c(cc1O)CC[C@H]2N AB43048 [0,1,0,1,0,0|0,0,2]=4 660 B12R2.246 Cc1cc(c2c(c1)N=CC2)C AB31499 [0,1,0,1,0,0|2,0,0]=4 661 B12R2.246 Cc1cc(cc2c1occ2)Br MB10399 [0,1,0,1,0,0|2,0,0]=4 662 B12R2.246 Cc1cc2ccoc2c(c1)Br MB10395 [0,1,0,1,0,0|2,0,0]=4 663 B12R2.246 c1coc2c1cc(cc2Br)Br MB10026 [0,1,0,1,0,0|2,0,0]=4 664 B12R2.246 c1coc2c1cc(cc2Br)Cl MB06992 [0,1,0,1,0,0|2,0,0]=4 665 B12R2.246 c1coc2c1cc(cc2Br)F MB06968 [0,1,0,1,0,0|2,0,0]=4 666 B12R2.246 c1coc2c1cc(cc2Br)O MB10400 [0,1,0,1,0,0|1,0,0]=3 667 B12R2.246 c1coc2c1cc(cc2Cl)Br MB10408 [0,1,0,1,0,0|2,0,0]=4 668 B12R2.246 c1coc2c1cc(cc2F)Br MB06987 [0,1,0,1,0,0|2,0,0]=4 669 B12R2.246 c1coc2c1cc(cc2N)Br MB10410 [0,1,0,1,0,0|2,0,0]=4 670 B12R2.246 c1coc2c1cc(cc2O)F AB31653 [0,1,0,1,0,0|2,0,0]=4 671 B12R2.246 c1csc2c1nc(cc2O)O AB43121 [0,1,0,1,0,0|2,0,0]=4 672 B12R2.44 C1C=C(C=C2C1=NC=C2)CO AB11366 [0,1,0,1,0,0|1,0,1]=4 673 B12R2.44 COC1=CC2C=CN=C2C=C1 AB00488 [0,1,0,1,0,0|1,0,1]=4 674 B12R2.44 COc1ccc2c(c1)CNC2 AB30381 [0,1,0,1,0,0|1,0,1]=4 675 B12R2.44 COc1ccc2c(c1)N=CC2 AB01327 [0,1,0,1,0,0|1,0,0]=3 676 B12R2.44 COc1ccc2c(c1)N=NC2 PB23628 [0,1,0,1,0,0|2,0,0]=4 677 B12R2.44 COc1ccc2c(c1)NCC2 AB32628 [0,1,0,1,0,0|1,0,1]=4 678 B12R2.44 COc1ccc2c(c1)scn2 AB10586 [0,1,0,1,0,0|2,0,0]=4 679 B12R2.44 COc1ccc2c(n1)N=CC2 PB18740 [0,1,0,1,0,0|2,0,0]=4 680 B12R2.44 c1cc2c(cc1CO)CNC2 MB09741 [0,1,0,1,0,0|1,0,1]=4 681 B12R2.44 c1cc2c(cco2)cc1C#N MB03560 [0,1,0,1,0,0|2,0,0]=4 682 B12R2.44 c1cc2c(cco2)cc1C=O MB02725 [0,1,0,1,0,0|1,0,1]=4 683 B12R2.44 c1cc2c(cco2)cc1CO MB03310 [0,1,0,1,0,0|1,0,0]=3 684 B12R2.44 c1cc2c(ccs2)cc1C#N MB03564 [0,1,0,1,0,0|2,0,0]=4 685 B12R2.44 c1cc2c(ccs2)cc1C=O MB03492 [0,1,0,1,0,0|1,0,1]=4 686 B12R2.44 c1cc2nccn2cc1CO PB13061 [0,1,0,1,0,0|2,0,0]=4 687 B12R2.82 C1C=C2C(=CC=N2)C(=C1O)F AB31790 [0,1,0,1,0,0|1,0,1]=4 688 B12R2.100 c1c2=CCN=c2cc(c1O)Br PB28586 [0,1,0,1,0,0|1,0,1]=4 689 B12R2.100 c1c2=CCN=c2cc(c1O)Cl PB21381 [0,1,0,1,0,0|1,0,1]=4 690 B12R2.100 c1c2c(cc(c1Br)O)N=NC2 MB15046 [0,1,0,1,0,0|2,0,0]=4 691 B12R2.100 c1c2c(cc(c1Cl)O)N=NC2 MB15043 [0,1,0,1,0,0|2,0,0]=4 692 B12R2.100 c1c2c(cc(c1F)O)N=NC2 MB09014 [0,1,0,1,0,0|2,0,0]=4 693 B12R2.100 c1c2c(cc(c1I)O)N=NC2 MB15048 [0,1,0,1,0,0|2,0,0]=4