0 B10R1.1 C#CCc1ccc(cc1)Br AB61388 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.1 C#CCc1ccc(cc1)Cl AB61380 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.1 C#CCc1ccc(cc1)F AB61384 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.1 C#CCc1ccc(cc1)I AB73225 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.1 C#CCc1ccc(cn1)Br AB73237 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.1 C#CCc1ccc(cn1)Cl AB73238 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.1 C#CCc1ccc(cn1)F AB73236 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.1 C#CCc1ccc(nc1)Br AB69172 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.1 C#CCc1ccc(nc1)Cl AB69169 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.1 CCCc1ncc(cn1)Cl AB59170 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.1 CCNc1ccc(cn1)Br AB51199 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.1 CCOc1ccc(cn1)Br AB05210 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.1 CCOc1ccc(cn1)N AB09602 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.1 CNCc1ccc(cn1)Br AB49704 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.1 CNCc1ccc(cn1)Cl AB67610 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.1 CNCc1ccc(cn1)F AB67668 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.1 CNCc1ccc(cn1)N AB67748 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.1 CNCc1ccc(nc1)Br AB67269 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.1 CNCc1ccc(nc1)Cl AB52618 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.1 Cc1ccc(cc1)\C=C\Br AB73509 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.1 Cc1ccc(cn1)CCN AB55173 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.1 Cc1ccc(cn1)CNC AB63786 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.1 Cc1ccc(nc1)CCN AB31467 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.1 Cc1ccc(nc1)CNC AB67504 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.1 Cc1cnc(cn1)CCN AB69468 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.1 Cc1cnc(nc1)CCN AB59260 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.1 Cc1ncc(cn1)CCN AB59372 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.1 c1c(cnc(n1)CCN)Cl AB58674 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.1 c1c(cnc(n1)CCN)F AB59267 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.1 c1c(cnc(n1)CCO)Cl AB59166 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.1 c1c(cnc(n1)Cl)CCN AB59374 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.1 c1c(ncc(n1)Cl)CCBr AB69919 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.1 c1c(ncc(n1)Cl)CCN AB69471 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.1 c1cc(ccc1CC#N)F AB00175 [0,0,0,0,0,0|1,0,2]=3 35 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [0,0,0,0,0,0|2,0,1]=3 36 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [0,0,0,0,0,0|2,0,1]=3 37 B10R1.1 c1cc(ccc1CC=O)F AB11805 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.1 c1cc(ccc1CC=O)N AB27688 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.1 c1cc(ccc1CCBr)N MB02970 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.1 c1cc(ccc1CCN)Br AB00934 [0,0,0,0,0,0|1,0,0]=1 41 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [0,0,0,0,0,0|1,0,0]=1 42 B10R1.1 c1cc(ccc1CCN)F AB03730 [0,0,0,0,0,0|1,0,0]=1 43 B10R1.1 c1cc(ccc1CCN)N AB00936 [0,0,0,0,0,0|1,0,0]=1 44 B10R1.1 c1cc(ccc1CCO)Br AB00280 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.1 c1cc(ccc1CNN)Br PB32548 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.1 c1cc(ccc1CNN)F PB20964 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.1 c1cc(ccc1N=[N+]=[N-])Br AB50568 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.1 c1cc(ccc1\C=C\Br)Br AB32162 [0,0,0,0,0,0|2,0,2]=4 50 B10R1.1 c1cc(ccc1\C=C\Br)Cl AB32165 [0,0,0,0,0,0|2,0,2]=4 51 B10R1.1 c1cc(ccc1\C=C\Br)F AB66443 [0,0,0,0,0,0|2,0,2]=4 52 B10R1.1 c1cc(ccc1\C=N\O)Br AB06151 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.1 c1cc(ncc1Br)CC#N PB27797 [0,0,0,0,0,0|2,0,2]=4 54 B10R1.1 c1cc(ncc1Br)CCN PB20258 [0,0,0,0,0,0|2,0,0]=2 55 B10R1.1 c1cc(ncc1Br)CCO PB14792 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.1 c1cc(ncc1CC#N)Cl AB17555 [0,0,0,0,0,0|2,0,2]=4 57 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [0,0,0,0,0,0|3,0,0]=3 58 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [0,0,0,0,0,0|3,0,0]=3 59 B10R1.1 c1cc(ncc1CCN)Br AB45460 [0,0,0,0,0,0|2,0,0]=2 60 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [0,0,0,0,0,0|2,0,0]=2 61 B10R1.1 c1cc(ncc1CCN)N AB76809 [0,0,0,0,0,0|2,0,0]=2 62 B10R1.1 c1cc(ncc1Cl)CC#N AB55145 [0,0,0,0,0,0|2,0,2]=4 63 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [0,0,0,0,0,0|2,0,0]=2 64 B10R1.1 c1cc(ncc1F)CCN AB45484 [0,0,0,0,0,0|2,0,0]=2 65 B10R1.1 c1cc(ncc1N)CCN AB67762 [0,0,0,0,0,0|2,0,0]=2 66 B10R1.1 c1cc(ncc1O)CCN AB67805 [0,0,0,0,0,0|1,0,0]=1 67 B9R1.1 C#Cc1ccc(cc1)Cl PB21668 [1,0,0,0,0,0|1,0,2]=4 68 B9R1.1 C#Cc1ccc(nc1)O AB69001 [1,0,0,0,0,0|1,0,2]=4 69 B9R1.1 C1C=C(C=NC1=O)CN PB26360 [1,0,0,0,0,0|1,0,2]=4 70 B9R1.1 CCc1ccc(cn1)N AB63590 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.1 CCc1ccc(cn1)O MB03842 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.1 CCc1ccc(nc1)Br MB10294 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.1 CCc1cnc(cn1)Br AB64001 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.1 CCc1cnc(cn1)Cl AB73111 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.1 CCc1cnc(cn1)N AB60527 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.1 CCc1cnc(nc1)Cl PB27514 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.1 CCc1cnc(nc1)N AB51220 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.1 CCc1ncc(cn1)N PB12017 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.1 CNc1ccc(cn1)Br AB44353 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.1 CNc1ccc(cn1)Cl AB07756 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.1 CNc1ccc(cn1)O AB69733 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.1 CNc1ccc(nc1)Br MB01005 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.1 CNc1ccc(nc1)Cl AB60605 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.1 COc1cc[n+](cc1)[O-] AB00619 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.1 COc1ccc(cn1)Br AB08771 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.1 COc1ccc(cn1)Cl AB23682 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.1 COc1ccc(cn1)F AB13611 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.1 COc1ccc(cn1)N PB27370 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.1 COc1ccc(cn1)O CB10969 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.1 COc1ccc(nc1)Br PB22062 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.1 COc1ccc(nc1)Cl AB25956 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.1 COc1ccc(nc1)F AB66773 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.1 COc1ccc(nc1)I AB11726 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.1 COc1ccc(nc1)N PB14487 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.1 COc1ncc(cn1)O AB58606 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.1 CSc1ccc(cn1)Br AB14151 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.1 CSc1ccc(cn1)O MB25590 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.1 CSc1ccc(nc1)Br MB03440 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.1 CSc1ncc(cn1)O AB04983 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.1 Cc1ccc(cn1)CCl AB59938 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.1 Cc1ccc(cn1)CN PB20145 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.1 Cc1ccc(cn1)NN PB15841 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.1 Cc1ccc(cn1)OC AB52739 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.1 Cc1ccc(nc1)CCl AB59994 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.1 Cc1ccc(nc1)CN AB48926 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.1 Cc1ccc(nn1)CN PB19500 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.1 Cc1cnc(cn1)CN PB33936 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.1 Cc1cnc(nc1)CN PB22419 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.1 Cc1ncc(cn1)CN PB14812 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl MB03556 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.1 c1c(cnc(n1)CN)Br PB19414 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.1 c1c(cnc(n1)CN)Cl PB32874 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.1 c1c(cnc(n1)CN)F PB31702 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.1 c1c(cnc(n1)Cl)CN PB34524 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.1 c1c(cnc(n1)N)CN AB58502 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.1 c1c(cnc(n1)O)CN AB58547 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.1 c1c(cnc(n1)O)CO AB63514 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.1 c1c(ncc(n1)Cl)CN AB62419 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.1 c1c[n+](ccc1ON)[O-] AB31589 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.1 c1cc(ccc1CBr)Br AB00113 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.1 c1cc(ccc1CI)O MB06957 [1,0,0,0,0,0|1,0,0]=2 123 B9R1.1 c1cc(ccc1CN)O AB11678 [1,0,0,0,0,0|0,0,0]=1 124 B9R1.1 c1cc(ncc1Br)CCl AB60010 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.1 c1cc(ncc1Br)CN AB23456 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.1 c1cc(ncc1Br)CO AB66533 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.1 c1cc(ncc1Br)CO PB18645 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 c1cc(ncc1C#N)O PB17354 [1,0,0,0,0,0|1,0,2]=4 129 B9R1.1 c1cc(ncc1CBr)F PB28287 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.1 c1cc(ncc1CCl)Br AB59933 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.1 c1cc(ncc1CCl)Cl AB03513 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.1 c1cc(ncc1CCl)Cl AB59950 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.1 c1cc(ncc1CCl)F PB13291 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.1 c1cc(ncc1CCl)N AB59930 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.1 c1cc(ncc1CN)Br AB27793 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.1 c1cc(ncc1CN)Cl PB17175 [1,0,0,0,0,0|2,0,0]=3 137 B9R1.1 c1cc(ncc1CN)F PB19133 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.1 c1cc(ncc1CO)Br PB14409 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.1 c1cc(ncc1CO)Cl PB17199 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.1 c1cc(ncc1CO)F PB14327 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.1 c1cc(ncc1CO)N PB26211 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.1 c1cc(ncc1Cl)CN AB60187 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.1 c1cc(ncc1Cl)CO AB56068 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.1 c1cc(ncc1F)CCl AB62501 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.1 c1cc(ncc1F)CN AB60189 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.1 c1cc(ncc1F)CO PB22210 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.1 c1cc(ncc1N)CN AB23447 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.1 c1cc(ncc1N)CO AB31872 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.1 c1cc(ncc1O)C#N PB12442 [1,0,0,0,0,0|1,0,2]=4 151 B9R1.1 c1cc(ncc1O)C=O AB59867 [1,0,0,0,0,0|2,0,1]=4 152 B9R1.1 c1cc(ncc1O)CN MB14856 [1,0,0,0,0,0|1,0,0]=2 153 B9R1.1 c1cc(nnc1CN)Cl AB61132 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.8 C#CCc1ccccn1 AB73234 [1,0,0,0,0,0|2,0,1]=4 155 B9R1.8 C#CCc1cccnc1 AB61408 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.8 CNCc1ccccn1 AB10674 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.8 CNCc1cccnc1 AB01384 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.8 CNCc1ccncc1 AB02721 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.8 c1c(cncn1)CCN AB45406 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.8 c1c(cncn1)CNN PB19654 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.8 c1cc(cnc1)CCN AB04606 [1,0,0,0,0,0|1,0,0]=2 162 B9R1.8 c1cc(cnc1)CNN PB16271 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.8 c1cc(nnc1)CCN AB61130 [1,0,0,0,0,0|2,0,0]=3 164 B9R1.8 c1cc(nnc1)CNN PB37174 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.8 c1ccc(cc1)NC#N MB01061 [1,0,0,0,0,0|1,0,2]=4 166 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,0,0,0,0,0|1,0,2]=4 167 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,0,0,0,0,0|2,0,1]=4 168 B9R1.8 c1ccnc(c1)CC#N AB00727 [1,0,0,0,0,0|1,0,2]=4 169 B9R1.8 c1ccnc(c1)CC=O AB61426 [1,0,0,0,0,0|2,0,1]=4 170 B9R1.8 c1ccnc(c1)CCN AB00732 [1,0,0,0,0,0|1,0,0]=2 171 B9R1.8 c1ccnc(c1)CNN PB19014 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.8 c1cnc(cn1)CCN AB22666 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.8 c1cnc(cn1)CNN PB20222 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.8 c1cnc(nc1)CCN AB55156 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.8 c1cnc(nc1)CNN PB21406 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.8 c1cnccc1CCN AB01702 [1,0,0,0,0,0|1,0,0]=2 177 B9R1.8 c1cnccc1CNN PB10342 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.8 c1cncnc1CCN PB14818 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.8 c1cnncc1CCN AB62610 [1,0,0,0,0,0|2,0,0]=3 180 B9R1.8 c1cnncc1CNN PB35490 [1,0,0,0,0,0|3,0,0]=4 181 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [0,1,0,0,0,0|1,0,0]=2 183 B11R1.1 CNCCc1ccc(cc1)F AB27731 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.1 CNCCc1ccc(cc1)N AB27726 [0,1,0,0,0,0|1,0,0]=2 185 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [0,1,0,0,0,0|1,0,0]=2 188 B11R1.1 Cc1ccc(cn1)CCCN AB66947 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.1 Cc1cnc(cn1)CCCN AB69908 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.1 c1c(ncc(n1)Cl)CCCN AB69913 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [0,1,0,0,0,0|1,0,0]=2 195 B11R1.1 c1cc(ccc1CCCN)Br AB23350 [0,1,0,0,0,0|1,0,0]=2 196 B11R1.1 c1cc(ccc1CCCN)Cl AB23351 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.1 c1cc(ccc1CCCN)F AB38689 [0,1,0,0,0,0|1,0,0]=2 198 B11R1.1 c1cc(ccc1CCCN)F AB66835 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.1 c1cc(ccc1CCCN)N AB51238 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.1 c1cc(ccc1CCCN)O AB07598 [0,1,0,0,0,0|0,0,0]=1 201 B11R1.1 c1cc(ccc1CCCO)Br CB11205 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.1 c1cc(ccc1OCC#N)Cl PB28971 [0,1,0,0,0,0|1,0,2]=4 203 B11R1.1 c1cc(ccc1OCCCl)Cl AB13874 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.1 c1cc(ncc1CCCN)Br AB55119 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.1 c1cc(ncc1CCCN)Cl AB55114 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.20 CC(C)Oc1ccc(cn1)O MB23136 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.20 CN(C)Cc1ccc(cc1)Br AB01531 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.20 CN(C)Cc1ccc(cc1)N AB01571 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [0,1,0,0,0,0|1,0,0]=2 215 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [0,1,0,0,0,0|1,0,0]=2 216 B11R1.20 Cc1ccc(cc1)CC(=N)N AB29086 [0,1,0,0,0,0|1,0,1]=3 217 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.20 c1cc(ccc1CC(=N)N)Br AB48908 [0,1,0,0,0,0|1,0,1]=3 219 B11R1.20 c1cc(ccc1CC(=N)N)Cl AB29080 [0,1,0,0,0,0|1,0,1]=3 220 B11R1.20 c1cc(ccc1CC(=N)N)F AB29082 [0,1,0,0,0,0|1,0,1]=3 221 B11R1.20 c1cc(ccc1CC(=O)O)Br AB00367 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.20 c1cc(ccc1N=C(N)N)Cl AB04678 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.22 COC(=N)c1ccc(cc1)O AB01949 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.22 C[C@@H](CN)c1ccc(cc1)Br AB85104 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.22 C[C@H](CN)c1ccc(cc1)Br AB85095 [0,1,0,0,0,0|1,0,0]=2 227 B11R1.22 C[C@H](CN)c1ccc(cc1)F AB85098 [0,1,0,0,0,0|1,0,0]=2 228 B11R1.22 c1cc(ccc1C(=O)C=O)O AB02263 [0,1,0,0,0,0|1,0,2]=4 229 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [0,1,0,0,0,0|1,0,1]=3 230 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.81 CNCc1ccc(cc1Cl)Cl PB15788 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.81 Cc1c(ccc(n1)Cl)CCN AB85389 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.81 Cc1cc(c(cn1)CCN)Cl AB83329 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.81 Cc1cc(c(cn1)CCN)F AB83049 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.81 Cc1cc(c(nc1)CCN)C AB65484 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.81 Cc1cc(c(nc1)CCN)Cl AB83243 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.81 Cc1cc(c(nc1)CCN)F AB76359 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.81 Cc1cc(cnc1CCN)Cl AB83241 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.81 Cc1cc(cnc1CCN)F AB82903 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.81 Cc1cc(ncc1CCN)C AB82577 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.81 Cc1cc(ncc1CCN)Cl AB83351 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.81 Cc1cc(ncc1CCN)F AB83069 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.81 c1c(c(cnc1F)CCN)Cl AB83191 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.81 c1c(cnc(c1Cl)CCN)F AB83122 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.81 c1c(cnc(c1F)CCN)Cl AB83116 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.81 c1cc(c(cc1Cl)Cl)CNN PB13051 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.81 c1cc(c(cc1F)Cl)CNN PB17475 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.81 c1cc(c(cc1N)Cl)CC#N AB44259 [0,1,0,0,0,0|1,0,2]=4 249 B11R1.83 C#CCc1ccc(cc1)C#N AB73218 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.83 C#CCc1ccc(cc1)C=O AB61406 [0,1,0,0,0,0|1,0,2]=4 251 B11R1.83 CCCc1ccc(cc1)NN AB23596 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.83 CCCc1ccc(cn1)C#N AB28605 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.83 CNCc1ccc(cn1)OC AB67556 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.83 CNCc1ccc(nc1)OC AB67058 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.83 COc1ccc(cc1)CC#C AB61379 [0,1,0,0,0,0|1,0,1]=3 256 B11R1.83 COc1ccc(cc1)CC=O AB11810 [0,1,0,0,0,0|1,0,1]=3 257 B11R1.83 COc1ccc(cc1)CCO AB00284 [0,1,0,0,0,0|1,0,0]=2 258 B11R1.83 COc1ccc(cc1)CNN PB19937 [0,1,0,0,0,0|1,0,0]=2 259 B11R1.83 COc1ccc(cc1)\C=C\Br AB06149 [0,1,0,0,0,0|1,0,2]=4 260 B11R1.83 COc1ccc(cn1)CC#C AB69167 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.83 COc1ccc(cn1)CCBr AB72327 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.83 COc1ccc(cn1)CCN AB45430 [0,1,0,0,0,0|1,0,0]=2 263 B11R1.83 COc1ccc(nc1)CC#C AB73241 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.83 COc1ccc(nc1)CC#N AB65289 [0,1,0,0,0,0|1,0,2]=4 265 B11R1.83 COc1ccc(nc1)CCBr AB73197 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.83 COc1ccc(nc1)CCN AB65488 [0,1,0,0,0,0|1,0,0]=2 267 B11R1.83 COc1cnc(cn1)CCBr AB69891 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.83 COc1cnc(cn1)CCN AB69885 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.83 COc1cnc(nc1)CCN AB59266 [0,1,0,0,0,0|2,0,0]=3 270 B11R1.83 COc1ncc(cn1)CCN AB63247 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.83 CSc1ncc(cn1)CCN AB59369 [0,1,0,0,0,0|2,1,0]=4 272 B11R1.83 c1c(cnc(n1)CCN)C=O AB63291 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.83 c1cc(ccc1CCN)CO AB30409 [0,1,0,0,0,0|0,0,0]=1 274 B11R1.83 c1cc(ccc1CCO)C#N CB10174 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.83 c1cc(ncc1C#N)CCN AB67733 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.83 c1cc(ncc1CCN)C#N AB67410 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.192 CCOc1ccc(c(c1)F)N AB09444 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.192 Cc1c(cc(cn1)CCN)Cl AB83313 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.192 Cc1c(cc(cn1)CCN)F AB83027 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.192 Cc1c(ccc(n1)CCN)Cl AB83323 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.192 Cc1c(ccc(n1)CCN)F AB55176 [0,1,0,0,0,0|2,0,0]=3 282 B11R1.192 Cc1cc(cnc1C)CCN AB82569 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.192 Cc1cc(cnc1Cl)CCN AB83362 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.192 Cc1cc(cnc1F)CCN AB55181 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.192 Cc1cc(ncc1Br)CCN AB41181 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.192 Cc1cc(ncc1C)CCN AB65480 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.192 Cc1cc(ncc1Cl)CCN AB41187 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.192 Cc1ccc(nc1C)CCN AB65477 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.192 Cc1ccc(nc1Cl)CCN AB83357 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.192 Cc1ccc(nc1F)CCN AB83081 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.192 Cc1cnc(cc1Cl)CCN AB83280 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.192 Cc1cnc(cc1F)CCN AB82959 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.192 Cc1cnc(nc1Cl)CCN AB63272 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.192 c1c(cnc(c1Cl)F)CCN AB83170 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.192 c1c(cnc(c1Cl)O)CCN AB84072 [0,1,0,0,0,0|1,0,0]=2 296 B11R1.192 c1c(cnc(c1F)Cl)CCN AB83221 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.192 c1c(cnc(c1O)Cl)CCN AB84106 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.192 c1c(ncc(c1Cl)Cl)CCN AB70219 [0,1,0,0,0,0|2,0,0]=3 299 B11R1.192 c1c(ncc(c1Cl)F)CCN AB83159 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.192 c1c(ncc(c1Cl)O)CCN AB84016 [0,1,0,0,0,0|1,0,0]=2 301 B11R1.192 c1c(ncc(c1F)Cl)CCN AB82991 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.192 c1c(ncc(c1N)Cl)CCN AB83920 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.192 c1c(ncc(c1O)Cl)CCN AB84047 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.192 c1cc(c(nc1CCN)Cl)F AB83216 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.192 c1cc(c(nc1CCN)Cl)O AB84098 [0,1,0,0,0,0|1,0,0]=2 306 B11R1.192 c1cc(c(nc1CCN)F)Cl AB83176 [0,1,0,0,0,0|2,0,0]=3 307 B11R1.192 c1cc(c(nc1CCN)O)Cl AB84087 [0,1,0,0,0,0|2,0,0]=3 308 B11R2.34 c1cc(ncc1Br)C2CC2 AB65328 [0,0,0,1,0,0|3,0,0]=4 309 B11R2.34 c1cc(ncc1C2CC2)Br MB10291 [0,0,0,1,0,0|3,0,0]=4 310 B11R2.36 Cc1ccc2c(c1)CNC2 AB49687 [0,0,0,1,0,0|3,0,0]=4 311 B11R2.36 Cc1ccc2c(c1)N=CC2 PB25888 [0,0,0,1,0,0|1,0,2]=4 312 B11R2.36 Cc1ccc2c(c1)N=NC2 MB04939 [0,0,0,1,0,0|2,0,1]=4 313 B11R2.36 Cc1ccc2c(c1)NCC2 MB04575 [0,0,0,1,0,0|1,0,0]=2 314 B11R2.36 c1c(cnc2=NCC=c21)O PB25038 [0,0,0,1,0,0|3,0,0]=4 315 B11R2.36 c1c(cnc2c1NCC2)Br AB73731 [0,0,0,1,0,0|2,0,0]=3 316 B11R2.36 c1c(nc2c(n1)CCN2)Cl AB85069 [0,0,0,1,0,0|3,0,0]=4 317 B11R2.36 c1cc(cc2c1cco2)O MB06436 [0,0,0,1,0,0|1,0,2]=4 318 B11R2.36 c1cc2c(cc1Br)CCC2 MB07871 [0,0,0,1,0,0|2,0,0]=3 319 B11R2.36 c1cc2c(cc1Br)CNC2 PB29483 [0,0,0,1,0,0|3,0,0]=4 320 B11R2.36 c1cc2c(cc1Br)NCC2 MB04573 [0,0,0,1,0,0|1,0,0]=2 321 B11R2.36 c1cc2c(cc1Br)OCC2 MB06567 [0,0,0,1,0,0|2,0,0]=3 322 B11R2.36 c1cc2c(cc1Cl)CNC2 MB09657 [0,0,0,1,0,0|3,0,0]=4 323 B11R2.36 c1cc2c(cc1F)CCO2 AB43939 [0,0,0,1,0,0|3,0,0]=4 324 B11R2.36 c1cc2c(cc1F)CNC2 MB03627 [0,0,0,1,0,0|3,0,0]=4 325 B11R2.36 c1cc2c(cc1F)NCC2 AB01334 [0,0,0,1,0,0|1,0,0]=2 326 B11R2.36 c1cc2c(cc1I)CNC2 MB11263 [0,0,0,1,0,0|3,0,0]=4 327 B11R2.36 c1cc2c(cc1N)CCC2 CB10015 [0,0,0,1,0,0|2,0,0]=3 328 B11R2.36 c1cc2c(cc1N)CCO2 AB15578 [0,0,0,1,0,0|3,0,0]=4 329 B11R2.36 c1cc2c(cc1N)CNC2 AB50244 [0,0,0,1,0,0|3,0,0]=4 330 B11R2.36 c1cc2c(cc1N)NCC2 MB00375 [0,0,0,1,0,0|1,0,0]=2 331 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [0,0,0,1,0,0|3,0,0]=4 332 B11R2.36 c1cc2c(cco2)cc1O MB08821 [0,0,0,1,0,0|2,0,1]=4 333 B9R1.7 Cc1[nH]c(cn1)CCN AB76713 [0,0,0,0,1,0|3,0,0]=4 334 B9R1.7 Cc1csc(n1)CCN AB21609 [0,0,0,0,1,0|3,0,0]=4 335 B9R1.7 Cn1cc(cn1)CCN AB45456 [0,0,0,0,1,0|3,0,0]=4 336 B9R1.7 c1c(csc1Cl)CNN PB36540 [0,0,0,0,1,0|3,0,0]=4 337 B9R1.7 c1cc(sc1CCN)Br AB18531 [0,0,0,0,1,0|2,0,0]=3 338 B9R1.7 c1cc(sc1CCN)Cl MB05588 [0,0,0,0,1,0|2,0,0]=3 339 B9R1.7 c1cc(sc1CNN)Cl PB15933 [0,0,0,0,1,0|3,0,0]=4 340 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.2 c1c(cncn1)CN PB26277 [2,0,0,0,0,0|2,0,0]=4 343 B8R1.2 c1cc(cnc1)CCl AB01984 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.2 c1cc(cnc1)CN AB00752 [2,0,0,0,0,0|1,0,0]=3 345 B8R1.2 c1cc(cnc1)NN AB42924 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.2 c1cc(cnc1)NN PB18886 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.2 c1cc(nnc1)CN PB29341 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.2 c1ccnc(c1)CBr MB02148 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.2 c1ccnc(c1)CCl AB22495 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.2 c1ccnc(c1)CN AB00731 [2,0,0,0,0,0|1,0,0]=3 351 B8R1.2 c1cnc(cn1)CN PB14180 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.2 c1cnc(nc1)CN CB11589 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.2 c1cnc(nc1)CN PB23443 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.2 c1cnccc1CCl AB15539 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.2 c1cnccc1CN AB00767 [2,0,0,0,0,0|1,0,0]=3 356 B8R1.2 c1cnccc1NN PB27392 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.2 c1cnccc1ON AB31585 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.2 c1cncnc1CN PB10439 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.2 c1cnncc1CN PB31361 [2,0,0,0,0,0|2,0,0]=4 360 B8R1.3 Cc1ccc(cn1)Br AB06624 [2,0,0,0,0,0|2,0,0]=4 361 B8R1.3 Cc1ccc(cn1)Cl AB17956 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.3 Cc1ccc(cn1)F PB18589 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.3 Cc1ccc(cn1)N PB32227 [2,0,0,0,0,0|2,0,0]=4 364 B8R1.3 Cc1ccc(cn1)O PB30543 [2,0,0,0,0,0|1,0,0]=3 365 B8R1.3 Cc1ccc(nc1)Br PB17145 [2,0,0,0,0,0|2,0,0]=4 366 B8R1.3 Cc1ccc(nc1)Cl AB07104 [2,0,0,0,0,0|2,0,0]=4 367 B8R1.3 Cc1ccc(nc1)F AB01857 [2,0,0,0,0,0|2,0,0]=4 368 B8R1.3 Cc1ccc(nc1)N AB17938 [2,0,0,0,0,0|2,0,0]=4 369 B8R1.3 Cc1ccc(nc1)O AB13138 [2,0,0,0,0,0|1,0,0]=3 370 B8R1.3 Cc1ncc(cn1)O AB54467 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.3 c1c(cnc(n1)N)O PB32565 [2,0,0,0,0,0|2,0,0]=4 372 B8R1.3 c1cc(ncc1Br)N PB30536 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.3 c1cc(ncc1Br)O AB05097 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.3 c1cc(ncc1Cl)N AB00712 [2,0,0,0,0,0|2,0,0]=4 375 B8R1.3 c1cc(ncc1F)N AB10107 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.3 c1cc(ncc1I)N PB25985 [2,0,0,0,0,0|2,0,0]=4 377 B8R1.3 c1cc(ncc1I)O AB05112 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.3 c1cc(ncc1N)Br PB17224 [2,0,0,0,0,0|2,0,0]=4 379 B8R1.3 c1cc(ncc1N)Cl AB00661 [2,0,0,0,0,0|2,0,0]=4 380 B8R1.3 c1cc(ncc1N)F PB33962 [2,0,0,0,0,0|2,0,0]=4 381 B8R1.3 c1cc(ncc1N)O AB15078 [2,0,0,0,0,0|1,0,0]=3 382 B8R1.3 c1cc(ncc1O)Br PB15771 [2,0,0,0,0,0|2,0,0]=4 383 B8R1.3 c1cc(ncc1O)Cl PB32188 [2,0,0,0,0,0|2,0,0]=4 384 B8R1.3 c1cc(ncc1O)F AB08123 [2,0,0,0,0,0|2,0,0]=4 385 B8R1.3 c1cc(ncc1O)I AB50021 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.3 c1cc(ncc1O)N AB15563 [2,0,0,0,0,0|1,0,0]=3 387 B10R1.3 CCc1ccc(cc1)NN AB10141 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.3 CCc1ccc(nc1)CCl AB60001 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.3 CNc1ccc(nc1)OC AB60608 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.3 COc1ccc(cc1)C#N AB00162 [1,1,0,0,0,0|0,0,2]=4 391 B10R1.3 COc1ccc(cc1)NN AB11940 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.3 COc1ccc(cn1)CCl AB59942 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.3 COc1ccc(cn1)CCl AB59945 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.3 COc1ccc(cn1)CN PB34107 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.3 COc1ccc(cn1)CO PB17339 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.3 COc1ccc(cn1)NN AB50207 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.3 COc1ccc(nc1)CCl AB59864 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.3 COc1ccc(nc1)CCl PB31547 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.3 COc1ccc(nc1)CN AB59858 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.3 COc1ccc(nc1)CO PB32580 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.3 COc1ccc(nn1)CN AB61133 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.3 COc1cnc(cn1)CN AB69881 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.3 COc1ncc(cn1)CN AB45827 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.3 CSc1ccc(cc1)CCl AB05549 [1,1,0,0,0,0|1,1,0]=4 405 B10R1.3 CSc1ccc(cc1)CO AB00982 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.3 c1cc(ccc1C#N)NN AB06913 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.3 c1cc(ccc1CN)CO AB23442 [1,1,0,0,0,0|0,0,0]=2 408 B10R1.3 c1cc(ncc1C#N)CN AB66593 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.3 c1cc(ncc1CN)C#N AB45527 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.3 c1cc(ncc1CO)CN AB63417 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.3 c1cc(ncc1CO)CO AB14995 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.13 B(c1ccc(cc1)O)(O)O AB08076 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [1,1,0,0,0,0|0,0,1]=3 414 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.13 CC(C)c1ccc(cn1)Br MB11629 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.13 CC(C)c1ccc(cn1)N PB22166 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.13 CC(C)c1ccc(cn1)O MB08432 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.13 CC(C)c1ccc(nc1)Br MB10296 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.13 CC(C)c1ncc(cn1)O AB58598 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.13 CC(c1ccc(cn1)F)N PB27166 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.13 CC(c1ccc(nc1)Br)N AB67301 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.13 CC(c1ccc(nc1)Cl)N AB67348 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.13 CN(C)c1ccc(cn1)O MB24899 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.13 C[C@@H](c1ccc(nc1)Cl)N AB49730 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.13 C[C@H](c1ccc(nc1)Cl)N AB49726 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.13 Cc1ccc(cn1)C(C)N AB53828 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [1,1,0,0,0,0|0,0,1]=3 438 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [1,1,0,0,0,0|0,0,1]=3 443 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.13 c1cc(ncc1O)C(F)F AB74785 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.25 CCc1c(cc(cn1)Br)N PB11662 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.25 CCc1ccc(cc1Br)O MB23966 [1,1,0,0,0,0|0,0,0]=2 447 B10R1.25 CCc1ccc(cc1C)O MB23913 [1,1,0,0,0,0|0,0,0]=2 448 B10R1.25 CCc1ccc(cc1Cl)O MB23969 [1,1,0,0,0,0|0,0,0]=2 449 B10R1.25 CCc1ccc(cc1F)O MB14963 [1,1,0,0,0,0|0,0,0]=2 450 B10R1.25 CCc1ccc(cc1I)O MB23946 [1,1,0,0,0,0|0,0,0]=2 451 B10R1.25 CCc1ccc(cc1N)O MB23949 [1,1,0,0,0,0|0,0,0]=2 452 B10R1.25 CCc1ccc(cc1O)Br MB23992 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.25 CCc1ccc(cc1O)F MB23841 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.25 CCc1ccc(cc1O)I MB23846 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.25 CCc1ccc(cc1O)N MB23852 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.25 CCc1ccc(nc1N)C AB03677 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.25 CCn1ccc(cc1=O)Br PB38061 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.25 CCn1ccc(cc1=O)N PB23013 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.25 CNc1ccc(cc1F)O MB31256 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.25 CNc1ccc(cc1I)O MB37121 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.25 CNc1ccc(cc1N)O MB30558 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.25 CNc1ccc(cc1O)Cl MB25839 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.25 CNc1ccc(cc1O)N MB33015 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.25 COc1c(cc(cn1)O)Cl AB70289 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.25 COc1c(cc(cn1)O)F AB70291 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.25 COc1ccc(cc1Cl)Br AB03565 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.25 COc1ccc(cc1Cl)O MB13556 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.25 COc1ccc(cc1F)Br AB01075 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.25 COc1ccc(cc1I)O MB26647 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.25 COc1ccc(cc1N)O MB34521 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.25 COc1ccc(cc1O)Cl MB09234 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.25 COc1ccc(cc1O)I MB38179 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.25 CSc1ccc(cc1Br)O MB25524 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.25 CSc1ccc(cc1Cl)O MB38487 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.25 CSc1ccc(cc1F)O MB25544 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.25 CSc1ccc(cc1N)O MB34593 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.25 CSc1ccc(cc1O)Br MB35434 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.25 CSc1ccc(cc1O)F MB25440 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.25 CSc1ccc(cc1O)I MB29501 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.25 CSc1ccc(cc1O)N MB36502 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.25 Cc1c(ccc(n1)Br)CN AB69340 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.25 Cc1c(ccc(n1)Cl)CN AB74568 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.25 Cc1c(ccc(n1)O)OC AB63862 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.25 Cc1cc(c(cn1)CN)Br AB68171 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.25 Cc1cc(c(cn1)CN)Cl AB68154 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.25 Cc1cc(c(cn1)CN)F AB83048 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.25 Cc1cc(c(nc1)CN)C AB53521 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.25 Cc1cc(c(nc1)CN)Cl AB75093 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.25 Cc1cc(c(nc1)CN)F AB75165 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.25 Cc1cc(ccc1C#N)O MB23389 [1,1,0,0,0,0|0,0,2]=4 492 B10R1.25 Cc1cc(ccc1NC)O MB05083 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.25 Cc1cc(ccc1OC)O MB07842 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.25 Cc1cc(cnc1CN)Br AB41237 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.25 Cc1cc(cnc1CN)Cl AB75120 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.25 Cc1cc(cnc1CN)F AB41242 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.25 Cc1cc(ncc1CN)C AB62611 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.25 Cc1cc(ncc1CN)Cl AB74564 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.25 Cc1cc(ncc1CN)F AB83068 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.25 Cc1ccc(c(c1)F)NN AB27888 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.25 Cc1ccc(c(c1)O)NC MB33283 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.25 Cc1ccc(c(n1)Br)CN AB68158 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.25 Cc1ccc(c(n1)Cl)CN AB23323 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.25 c1c(c(cnc1Cl)CN)Cl AB68217 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.25 c1c(c(cnc1F)CN)Cl AB83188 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.25 c1c(cnc(c1Cl)CN)F AB71565 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.25 c1c(cnc(c1F)CN)Br PB24277 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.25 c1c(cnc(c1F)CN)Cl AB75040 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.25 c1cc(c(cc1Br)N)CO AB42495 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.25 c1cc(c(cc1Br)O)CN MB08429 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.25 c1cc(c(cc1Cl)Br)CO MB06939 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.25 c1cc(c(cc1Cl)O)CN MB26819 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.25 c1cc(c(cc1F)Br)CO AB06857 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.25 c1cc(c(cc1F)N)CN AB50268 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.25 c1cc(c(cc1F)O)CN MB14866 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.25 c1cc(c(cc1I)O)CN MB10252 [1,1,0,0,0,0|1,0,0]=3 519 B10R1.25 c1cc(c(cc1N)F)CBr AB56061 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.25 c1cc(c(cc1N)F)CN AB50282 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.25 c1cc(c(cc1N)O)CN MB10253 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.25 c1cc(c(cc1O)Br)C#N MB14756 [1,1,0,0,0,0|0,0,2]=4 523 B10R1.25 c1cc(c(cc1O)Br)C=O MB25584 [1,1,0,0,0,0|1,0,1]=4 524 B10R1.25 c1cc(c(cc1O)Cl)CN MB02722 [1,1,0,0,0,0|0,0,0]=2 525 B10R1.25 c1cc(c(cc1O)F)C#N AB04647 [1,1,0,0,0,0|0,0,2]=4 526 B10R1.25 c1cc(c(cc1O)F)CN MB02723 [1,1,0,0,0,0|0,0,0]=2 527 B10R1.25 c1cc(c(cc1O)I)C#N MB14759 [1,1,0,0,0,0|0,0,2]=4 528 B10R1.25 c1cc(c(cc1O)I)C=O MB25658 [1,1,0,0,0,0|1,0,1]=4 529 B10R1.25 c1cc(c(cc1O)N)C#N MB14762 [1,1,0,0,0,0|0,0,2]=4 530 B10R1.25 c1cc(c(cc1O)N)C=O MB38477 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.25 c1cc(c(cc1O)N)CN MB29325 [1,1,0,0,0,0|0,0,0]=2 532 B10R1.25 c1cc(nc(c1CN)Br)Cl AB68220 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.25 c1cc(nc(c1CN)Cl)Br AB68231 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.25 c1cc(nc(c1CN)Cl)Cl AB68210 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [1,1,0,0,0,0|0,0,0]=2 536 B10R1.176 CCc1ccc(c(c1)Cl)O MB23911 [1,1,0,0,0,0|0,0,0]=2 537 B10R1.176 CCc1ccc(c(c1)F)O MB23895 [1,1,0,0,0,0|0,0,0]=2 538 B10R1.176 CCc1ccc(c(c1)I)O MB23898 [1,1,0,0,0,0|0,0,0]=2 539 B10R1.176 CCc1ccc(c(c1)N)O MB00456 [1,1,0,0,0,0|0,0,0]=2 540 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [1,1,0,0,0,0|1,0,0]=3 542 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [1,1,0,0,0,0|1,0,0]=3 543 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.176 CNc1ccc(c(c1)Br)O MB30977 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.176 CNc1ccc(c(c1)Cl)O MB15061 [1,1,0,0,0,0|1,0,0]=3 547 B10R1.176 CNc1ccc(c(c1)F)O MB33460 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.176 CNc1ccc(c(c1)I)O MB28237 [1,1,0,0,0,0|1,0,0]=3 549 B10R1.176 CNc1ccc(c(c1)N)O MB27818 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.176 CNc1ccc(c(c1)O)Br MB32226 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.176 CNc1ccc(c(c1)O)Cl MB28131 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.176 CNc1ccc(c(c1)O)F MB37912 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.176 CNc1ccc(c(c1)O)I MB26459 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.176 CNc1ccc(c(c1)O)N MB25952 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.176 COc1cc(c(cn1)O)Cl AB70292 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.176 COc1cc(c(nc1)O)Cl AB71174 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.176 COc1ccc(c(c1)Br)I CB11658 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.176 COc1ccc(c(c1)Br)N AB49251 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.176 COc1ccc(c(c1)Br)O AB10935 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.176 COc1ccc(c(c1)F)N AB09440 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.176 COc1ccc(c(c1)I)N AB42374 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.176 COc1ccc(c(c1)I)O MB07821 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.176 COc1ccc(c(c1)N)I AB45640 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.176 COc1ccc(c(c1)N)N AB02069 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.176 COc1ccc(c(c1)N)O AB25358 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.176 COc1ccc(c(c1)O)Br MB02872 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.176 COc1ccc(c(c1)O)F MB25573 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.176 COc1ccc(c(c1)O)I MB12203 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.176 COc1ccc(c(n1)Cl)O AB69288 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.176 CSc1ccc(c(c1)Br)O MB09158 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.176 CSc1ccc(c(c1)Cl)O MB31036 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.176 CSc1ccc(c(c1)F)O MB25631 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.176 CSc1ccc(c(c1)I)O MB38361 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.176 CSc1ccc(c(c1)N)O MB34167 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.176 CSc1ccc(c(c1)O)Cl MB33637 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.176 CSc1ccc(c(c1)O)F MB25520 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.176 CSc1ccc(c(c1)O)I MB38424 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.176 Cc1c(cc(cn1)CN)Cl AB74649 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.176 Cc1c(cc(cn1)CN)F AB76308 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.176 Cc1c(ccc(n1)CN)Cl AB75079 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.176 Cc1c(ccc(n1)CN)F AB75158 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.176 Cc1cc(ccc1Br)CO AB50387 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.176 Cc1cc(ccc1Br)NN AB12016 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.176 Cc1cc(ccc1Cl)NN AB13351 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.176 Cc1cc(ccc1O)C#N MB10144 [1,1,0,0,0,0|0,0,2]=4 586 B10R1.176 Cc1cc(ccc1O)CN MB05062 [1,1,0,0,0,0|0,0,0]=2 587 B10R1.176 Cc1cc(ccc1O)NC MB07546 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.176 Cc1cc(cnc1C)CN AB70585 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.176 Cc1cc(cnc1Cl)CN AB74569 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.176 Cc1cc(cnc1F)CN AB83087 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.176 Cc1cc(ncc1Br)CN AB41153 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.176 Cc1cc(ncc1C)CN AB65468 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.176 Cc1cc(ncc1Cl)CN AB41152 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.176 Cc1cc(ncc1F)CN AB74877 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.176 Cc1ccc(cc1O)NC MB25401 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.176 Cc1ccc(cc1O)OC MB11905 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.176 Cc1ccc(cc1O)SC MB25438 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.176 Cc1ccc(nc1C)CN AB65463 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.176 Cc1ccc(nc1Cl)CN AB75099 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.176 Cc1ccc(nc1F)CN AB72850 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.176 Cc1cnc(cc1Br)CN AB70168 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.176 Cc1cnc(cc1Cl)CN AB70034 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.176 Cc1cnc(cc1F)CN AB82957 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.176 Cn1cc(ccc1=O)CN PB15234 [1,1,0,0,0,0|1,0,1]=4 605 B10R1.176 Cn1ccc(cc1=O)CN PB15227 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.176 c1c(cnc(c1Cl)F)CN AB75050 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.176 c1c(cnc(c1Cl)N)CN AB83951 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.176 c1c(cnc(c1Cl)O)CCl AB70975 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.176 c1c(cnc(c1Cl)O)CN AB84069 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.176 c1c(cnc(c1F)Br)CN AB76972 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.176 c1c(cnc(c1F)Cl)CN AB74576 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.176 c1c(cnc(c1O)Cl)CN AB84104 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.176 c1c(ncc(c1Cl)Cl)CN AB70217 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.176 c1c(ncc(c1Cl)F)CN AB73176 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.176 c1c(ncc(c1Cl)N)CN AB83896 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.176 c1c(ncc(c1Cl)O)CCl AB84011 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.176 c1c(ncc(c1Cl)O)CN AB84014 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.176 c1c(ncc(c1F)Cl)CN AB82989 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.176 c1c(ncc(c1N)Cl)CN AB83917 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.176 c1c(ncc(c1O)Cl)CN AB84044 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.176 c1cc(c(cc1C#N)I)O MB09222 [1,1,0,0,0,0|0,0,2]=4 622 B10R1.176 c1cc(c(cc1C=O)I)O MB00259 [1,1,0,0,0,0|1,0,1]=4 623 B10R1.176 c1cc(c(cc1C=O)N)O MB13575 [1,1,0,0,0,0|1,0,1]=4 624 B10R1.176 c1cc(c(cc1CBr)I)F AB44169 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.176 c1cc(c(cc1CN)Br)O MB02719 [1,1,0,0,0,0|0,0,0]=2 626 B10R1.176 c1cc(c(cc1CN)Cl)O MB03734 [1,1,0,0,0,0|0,0,0]=2 627 B10R1.176 c1cc(c(cc1CN)F)N AB50278 [1,1,0,0,0,0|1,0,0]=3 628 B10R1.176 c1cc(c(cc1CN)F)O MB03723 [1,1,0,0,0,0|0,0,0]=2 629 B10R1.176 c1cc(c(cc1CN)I)O MB27028 [1,1,0,0,0,0|0,0,0]=2 630 B10R1.176 c1cc(c(cc1CN)N)O MB37291 [1,1,0,0,0,0|0,0,0]=2 631 B10R1.176 c1cc(c(cc1CN)O)Br MB27292 [1,1,0,0,0,0|1,0,0]=3 632 B10R1.176 c1cc(c(cc1CN)O)Cl MB25545 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.176 c1cc(c(cc1CN)O)F MB35973 [1,1,0,0,0,0|1,0,0]=3 634 B10R1.176 c1cc(c(cc1CN)O)I MB25685 [1,1,0,0,0,0|1,0,0]=3 635 B10R1.176 c1cc(c(cc1CN)O)N MB29053 [1,1,0,0,0,0|1,0,0]=3 636 B10R1.176 c1cc(c(cc1CO)F)Br AB44195 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.176 c1cc(c(cc1NN)F)F AB13306 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.176 c1cc(c(nc1CCl)Cl)O AB76573 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.176 c1cc(c(nc1CN)Cl)F AB75033 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.176 c1cc(c(nc1CN)Cl)O AB84096 [1,1,0,0,0,0|1,0,0]=3 641 B10R1.176 c1cc(c(nc1CN)F)Cl AB72853 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.176 c1cc(c(nc1CN)F)F AB72858 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.176 c1cc(c(nc1CN)O)Cl AB84086 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.4 Cc1c(cccn1)CCN AB66943 [1,1,0,0,0,0|1,0,0]=3 645 B10R1.4 Cc1ccccc1CC=O AB11813 [1,1,0,0,0,0|1,0,1]=4 646 B10R1.4 Cc1cccnc1CCN AB31462 [1,1,0,0,0,0|1,0,0]=3 647 B10R1.4 Cc1ccncc1CCN AB55157 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [1,1,0,0,0,0|1,0,0]=3 649 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [1,1,0,0,0,0|1,0,0]=3 651 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [1,1,0,0,0,0|1,0,0]=3 653 B10R1.4 c1ccc(c(c1)CC#N)Br AB00169 [1,1,0,0,0,0|0,0,2]=4 654 B10R1.4 c1ccc(c(c1)CC#N)F AB00172 [1,1,0,0,0,0|0,0,2]=4 655 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [1,1,0,0,0,0|0,0,0]=2 656 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [1,1,0,0,0,0|0,0,0]=2 657 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [1,1,0,0,0,0|1,0,0]=3 658 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [1,1,0,0,0,0|1,0,0]=3 659 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [1,1,0,0,0,0|1,0,0]=3 660 B10R1.4 c1cncc(c1Br)CCN AB45481 [1,1,0,0,0,0|1,0,0]=3 661 B10R1.4 c1cncc(c1Cl)CCN AB68002 [1,1,0,0,0,0|1,0,0]=3 662 B10R1.4 c1cncc(c1F)CCN AB55177 [1,1,0,0,0,0|1,0,0]=3 663 B10R1.10 C#CCc1cccc(c1)Br AB61399 [1,1,0,0,0,0|1,0,1]=4 664 B10R1.10 C#CCc1cccc(c1)Cl AB61396 [1,1,0,0,0,0|1,0,1]=4 665 B10R1.10 C#CCc1cccc(c1)I AB73228 [1,1,0,0,0,0|1,0,1]=4 666 B10R1.10 CCCc1cccc(n1)N AB03673 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.10 CCCc1ccnc(c1)N AB03633 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.10 Cc1cc(ccn1)CCN AB55165 [1,1,0,0,0,0|1,0,0]=3 669 B10R1.10 Cc1cc(cnc1)CCN AB55190 [1,1,0,0,0,0|1,0,0]=3 670 B10R1.10 Cc1cc(ncn1)CCN AB64311 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.10 Cc1cccc(c1)CC=O AB11815 [1,1,0,0,0,0|1,0,1]=4 672 B10R1.10 Cc1cccc(n1)CCN AB17067 [1,1,0,0,0,0|1,0,0]=3 673 B10R1.10 Cc1ccnc(n1)CCN AB59280 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.10 c1c(cncc1Br)CCN AB41071 [1,1,0,0,0,0|1,0,0]=3 675 B10R1.10 c1c(cncc1Br)CNN PB37854 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.10 c1c(cncc1Cl)CCN AB67621 [1,1,0,0,0,0|1,0,0]=3 677 B10R1.10 c1c(cncc1F)CCN AB55166 [1,1,0,0,0,0|1,0,0]=3 678 B10R1.10 c1c(cncc1N)CCN AB67760 [1,1,0,0,0,0|1,0,0]=3 679 B10R1.10 c1c(nc(cn1)Cl)CCN AB69954 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.10 c1c(ncnc1Cl)CCN AB51553 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.10 c1cc(cc(c1)Br)CC#N AB00173 [1,1,0,0,0,0|0,0,2]=4 682 B10R1.10 c1cc(cc(c1)Br)CC=O AB11787 [1,1,0,0,0,0|1,0,1]=4 683 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [1,1,0,0,0,0|0,0,0]=2 684 B10R1.10 c1cc(cc(c1)Br)CNN PB10474 [1,1,0,0,0,0|1,0,0]=3 685 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [1,1,0,0,0,0|1,0,1]=4 686 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [1,1,0,0,0,0|0,0,0]=2 687 B10R1.10 c1cc(cc(c1)Cl)CNN PB23504 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.10 c1cc(cc(c1)F)CC=O AB11802 [1,1,0,0,0,0|1,0,1]=4 689 B10R1.10 c1cc(cc(c1)F)CNN PB22082 [1,1,0,0,0,0|1,0,0]=3 690 B10R1.10 c1cc(cc(c1)N)CC#N AB13852 [1,1,0,0,0,0|0,0,2]=4 691 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [1,1,0,0,0,0|0,0,0]=2 692 B10R1.10 c1cc(cc(c1)O)CC#N AB13855 [1,1,0,0,0,0|0,0,2]=4 693 B10R1.10 c1cc(nc(c1)Br)CCN AB45432 [1,1,0,0,0,0|1,0,0]=3 694 B10R1.10 c1cc(nc(c1)Br)CCO CB11431 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.10 c1cc(nc(c1)Cl)CCN AB67354 [1,1,0,0,0,0|1,0,0]=3 696 B10R1.10 c1cc(nc(c1)F)CCN AB45492 [1,1,0,0,0,0|1,0,0]=3 697 B10R1.10 c1cc(nc(c1)F)CCO AB55227 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.10 c1cc(nc(c1)N)CCN AB55667 [1,1,0,0,0,0|1,0,0]=3 699 B10R1.10 c1cnc(cc1Br)CCN AB55853 [1,1,0,0,0,0|1,0,0]=3 700 B10R1.10 c1cnc(cc1CCBr)F AB72866 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.10 c1cnc(cc1CCN)Br AB45468 [1,1,0,0,0,0|1,0,0]=3 702 B10R1.10 c1cnc(cc1CCN)Cl AB45448 [1,1,0,0,0,0|1,0,0]=3 703 B10R1.10 c1cnc(cc1CCN)F AB55184 [1,1,0,0,0,0|1,0,0]=3 704 B10R1.10 c1cnc(cc1Cl)CCN AB65496 [1,1,0,0,0,0|1,0,0]=3 705 B10R1.10 c1cnc(cc1F)CCN AB55195 [1,1,0,0,0,0|1,0,0]=3 706 B10R1.10 c1cnc(nc1CCN)Cl AB76813 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.10 c1cnc(nc1Cl)CCN AB58890 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.10 c1cnc(nc1N)CCN AB59298 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.10 c1cnc(nc1O)CCN AB59283 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [1,1,0,0,0,0|0,0,0]=2 711 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [1,1,0,0,0,0|0,0,0]=2 712 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [1,1,0,0,0,0|1,0,0]=3 714 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [1,1,0,0,0,0|1,0,1]=4 716 B10R1.17 CNCCc1cccnc1 AB10676 [1,1,0,0,0,0|1,0,0]=3 717 B10R1.17 CNCCc1ccncc1 AB02055 [1,1,0,0,0,0|1,0,0]=3 718 B10R1.17 c1cc(cnc1)CCC=O AB57626 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.17 c1cc(cnc1)CCCN AB54556 [1,1,0,0,0,0|1,0,0]=3 720 B10R1.17 c1ccc(cc1)CCC=O AB00823 [1,1,0,0,0,0|1,0,0]=3 721 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,1,0,0,0,0|0,0,0]=2 722 B10R1.17 c1ccnc(c1)CCC=O AB57635 [1,1,0,0,0,0|2,0,0]=4 723 B10R1.17 c1ccnc(c1)CCCN AB30458 [1,1,0,0,0,0|1,0,0]=3 724 B10R1.17 c1ccnc(c1)CCCO PB12987 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.17 c1ccnc(c1)OCCN AB03271 [1,1,0,0,0,0|1,0,0]=3 726 B10R1.17 c1cnc(nc1)NCCN AB49586 [1,1,0,0,0,0|2,0,0]=4 727 B10R1.17 c1cnccc1CCC=O AB49299 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.17 c1cnccc1CCCN AB43583 [1,1,0,0,0,0|1,0,0]=3 729 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.18 CC(Cc1ccccn1)N AB12969 [1,1,0,0,0,0|1,0,0]=3 731 B10R1.18 CC(Cc1cccnc1)N AB23775 [1,1,0,0,0,0|1,0,0]=3 732 B10R1.18 CC(Cc1ccncc1)N AB28531 [1,1,0,0,0,0|1,0,0]=3 733 B10R1.18 CC(Cc1cnccn1)N AB28467 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [1,1,0,0,0,0|0,0,0]=2 735 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [1,1,0,0,0,0|0,0,0]=2 736 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [1,1,0,0,0,0|0,0,1]=3 737 B12R1.1 CNCCCc1ccc(cc1)Br AB38786 [0,2,0,0,0,0|1,0,0]=3 738 B12R1.1 CNCCCc1ccc(cc1)Cl AB38779 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.1 CNCCCc1ccc(cc1)F AB38773 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.1 COCCOc1ccc(cc1)O AB19320 [0,2,0,0,0,0|1,0,0]=3 741 B12R1.1 Cc1ccc(cc1)CCCNC AB38761 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.1 c1cc(ccc1CCCCN)Cl AB54564 [0,2,0,0,0,0|1,0,0]=3 743 B12R1.1 c1cc(ccc1CCCCN)F AB54561 [0,2,0,0,0,0|1,0,0]=3 744 B12R1.1 c1cc(ccc1CCCCN)O AB07609 [0,2,0,0,0,0|0,0,0]=2 745 B12R1.16 CCNC(=O)c1ccc(cc1)O AB63728 [0,2,0,0,0,0|1,0,1]=4 746 B12R1.16 c1cc(ccc1C(CCO)N)Br AB20223 [0,2,0,0,0,0|2,0,0]=4 747 B12R1.16 c1cc(ccc1C(CCO)N)Cl AB14423 [0,2,0,0,0,0|2,0,0]=4 748 B12R1.16 c1cc(ccc1C(CCO)N)F AB14430 [0,2,0,0,0,0|2,0,0]=4 749 B12R1.21 CN(C)CCc1ccc(cc1)N AB18473 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.21 Cc1ccc(cc1)CCC(=O)O AB01198 [0,2,0,0,0,0|2,0,0]=4 751 B12R1.21 c1cc(ccc1CCC(=O)O)Br AB08447 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.21 c1cc(ccc1CCC(=O)O)Cl AB01196 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.21 c1cc(ccc1CCC(=O)O)F AB02388 [0,2,0,0,0,0|2,0,0]=4 754 B12R1.21 c1cc(ccc1CCC(=O)O)N AB01235 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.21 c1cc(ccc1CCC(=O)O)O AB00269 [0,2,0,0,0,0|1,0,0]=3 756 B12R1.21 c1cc(ccc1CNC(=N)N)N AB48587 [0,2,0,0,0,0|1,0,1]=4 757 B12R1.21 c1cc(ccc1OCC(=N)N)F AB08309 [0,2,0,0,0,0|1,0,1]=4 758 B12R1.49 CC(CN)Oc1ccc(cc1)Br AB38871 [0,2,0,0,0,0|1,0,0]=3 759 B12R1.49 CC(CN)Oc1ccc(cc1)Cl AB38863 [0,2,0,0,0,0|1,0,0]=3 760 B12R1.49 CC(CN)Oc1ccc(cc1)F AB12553 [0,2,0,0,0,0|1,0,0]=3 761 B12R1.49 Cc1ccc(cc1)OC(C)CN AB16399 [0,2,0,0,0,0|1,0,0]=3 762 B12R1.49 Cc1ccc(cn1)OC(C)CN AB38918 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.49 c1cc(ccc1CC(C#N)O)F AB13917 [0,2,0,0,0,0|1,0,1]=4 764 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O MB00396 [0,2,0,0,0,0|0,0,0]=2 765 B12R1.69 Cc1cc(c(cn1)CCCN)Cl AB83332 [0,2,0,0,0,0|2,0,0]=4 766 B12R1.69 Cc1cc(c(cn1)CCCN)F AB83052 [0,2,0,0,0,0|2,0,0]=4 767 B12R1.69 Cc1cc(c(nc1)CCCN)C AB82549 [0,2,0,0,0,0|2,0,0]=4 768 B12R1.69 Cc1cc(c(nc1)CCCN)Cl AB83246 [0,2,0,0,0,0|2,0,0]=4 769 B12R1.69 Cc1cc(c(nc1)CCCN)F AB82909 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.69 Cc1cc(cnc1CCCN)Cl AB83242 [0,2,0,0,0,0|2,0,0]=4 771 B12R1.69 Cc1cc(cnc1CCCN)F AB82905 [0,2,0,0,0,0|2,0,0]=4 772 B12R1.69 Cc1cc(ncc1CCCN)C AB82578 [0,2,0,0,0,0|2,0,0]=4 773 B12R1.69 Cc1cc(ncc1CCCN)Cl AB83353 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.69 Cc1cc(ncc1CCCN)F AB83070 [0,2,0,0,0,0|2,0,0]=4 775 B12R1.69 c1c(c(cnc1F)CCCN)Cl AB83194 [0,2,0,0,0,0|2,0,0]=4 776 B12R1.69 c1c(cnc(c1Cl)CCCN)F AB83124 [0,2,0,0,0,0|2,0,0]=4 777 B12R1.69 c1c(cnc(c1F)CCCN)Cl AB83119 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.69 c1cc(c(cc1Cl)Cl)CCCN AB38717 [0,2,0,0,0,0|1,0,0]=3 779 B12R1.69 c1cc(c(cc1F)F)CCCN AB38723 [0,2,0,0,0,0|1,0,0]=3 780 B12R1.69 c1cc(c(cc1N)N)OCCO MB00378 [0,2,0,0,0,0|2,0,0]=4 781 B12R1.71 CCc1ccc(cc1)CCCN AB38698 [0,2,0,0,0,0|1,0,0]=3 782 B12R1.71 CNCCc1ccc(cc1)OC AB07595 [0,2,0,0,0,0|0,0,0]=2 783 B12R1.71 CNCCc1ccc(cn1)OC AB73196 [0,2,0,0,0,0|1,0,0]=3 784 B12R1.71 COc1ccc(cc1)CCC=O AB06888 [0,2,0,0,0,0|1,0,0]=3 785 B12R1.71 COc1ccc(cc1)CCCN AB07604 [0,2,0,0,0,0|0,0,0]=2 786 B12R1.71 COc1ccc(cc1)CCCO AB00287 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.71 COc1ccc(cn1)CCCN AB55109 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.71 c1cc(ccc1C=O)OCCCl AB01954 [0,2,0,0,0,0|1,0,1]=4 789 B12R1.71 c1cc(ncc1CCCN)C#N AB67424 [0,2,0,0,0,0|2,0,0]=4 790 B12R1.385 Cc1c(cc(cn1)CCCN)Cl AB83316 [0,2,0,0,0,0|2,0,0]=4 791 B12R1.385 Cc1c(cc(cn1)CCCN)F AB83030 [0,2,0,0,0,0|2,0,0]=4 792 B12R1.385 Cc1c(ccc(n1)CCCN)Cl AB83324 [0,2,0,0,0,0|2,0,0]=4 793 B12R1.385 Cc1c(ccc(n1)CCCN)F AB83037 [0,2,0,0,0,0|2,0,0]=4 794 B12R1.385 Cc1cc(cnc1C)CCCN AB82570 [0,2,0,0,0,0|2,0,0]=4 795 B12R1.385 Cc1cc(cnc1Cl)CCCN AB83363 [0,2,0,0,0,0|2,0,0]=4 796 B12R1.385 Cc1cc(cnc1F)CCCN AB83090 [0,2,0,0,0,0|2,0,0]=4 797 B12R1.385 Cc1cc(ncc1C)CCCN AB82564 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.385 Cc1cc(ncc1Cl)CCCN AB83296 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.385 Cc1ccc(nc1C)CCCN AB82573 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.385 Cc1ccc(nc1Cl)CCCN AB83360 [0,2,0,0,0,0|2,0,0]=4 801 B12R1.385 Cc1ccc(nc1F)CCCN AB83084 [0,2,0,0,0,0|2,0,0]=4 802 B12R1.385 Cc1cnc(cc1Cl)CCCN AB83281 [0,2,0,0,0,0|2,0,0]=4 803 B12R1.385 Cc1cnc(cc1F)CCCN AB82960 [0,2,0,0,0,0|2,0,0]=4 804 B12R1.385 c1c(cnc(c1Cl)F)CCCN AB83171 [0,2,0,0,0,0|2,0,0]=4 805 B12R1.385 c1c(cnc(c1Cl)O)CCCN AB84073 [0,2,0,0,0,0|1,0,0]=3 806 B12R1.385 c1c(cnc(c1F)Cl)CCCN AB83222 [0,2,0,0,0,0|2,0,0]=4 807 B12R1.385 c1c(cnc(c1O)Cl)CCCN AB84108 [0,2,0,0,0,0|2,0,0]=4 808 B12R1.385 c1c(ncc(c1Cl)F)CCCN AB83160 [0,2,0,0,0,0|2,0,0]=4 809 B12R1.385 c1c(ncc(c1Cl)O)CCCN AB84017 [0,2,0,0,0,0|1,0,0]=3 810 B12R1.385 c1c(ncc(c1F)Cl)CCCN AB82994 [0,2,0,0,0,0|2,0,0]=4 811 B12R1.385 c1c(ncc(c1N)Cl)CCCN AB83921 [0,2,0,0,0,0|2,0,0]=4 812 B12R1.385 c1c(ncc(c1O)Cl)CCCN AB84049 [0,2,0,0,0,0|2,0,0]=4 813 B12R1.385 c1cc(c(cc1CCCN)F)F AB38731 [0,2,0,0,0,0|1,0,0]=3 814 B12R1.385 c1cc(c(nc1CCCN)Cl)F AB83218 [0,2,0,0,0,0|2,0,0]=4 815 B12R1.385 c1cc(c(nc1CCCN)Cl)O AB84099 [0,2,0,0,0,0|1,0,0]=3 816 B12R1.385 c1cc(c(nc1CCCN)F)Cl AB83179 [0,2,0,0,0,0|2,0,0]=4 817 B12R1.385 c1cc(c(nc1CCCN)O)Cl AB84090 [0,2,0,0,0,0|2,0,0]=4 818 B12R1.4 CC(=O)Cc1ccc(cc1)OC AB00957 [0,2,0,0,0,0|1,0,1]=4 819 B12R1.4 CC(Cc1ccc(cc1)OC)N MB01555 [0,2,0,0,0,0|0,0,0]=2 820 B12R1.4 COc1ccc(cc1)CC(=N)N AB09931 [0,2,0,0,0,0|0,0,1]=3 821 B12R1.4 C[C@@H](Cc1ccc(cc1)OC)N AB70588 [0,2,0,0,0,0|0,0,0]=2 822 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N AB51426 [0,2,0,0,0,0|0,0,0]=2 823 B12R1.19 CC(C)Oc1ccc(c(c1)Br)O MB23095 [0,2,0,0,0,0|2,0,0]=4 824 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)O MB23097 [0,2,0,0,0,0|2,0,0]=4 825 B12R1.19 CC(C)Oc1ccc(c(c1)F)O MB23076 [0,2,0,0,0,0|2,0,0]=4 826 B12R1.19 CC(C)Oc1ccc(c(c1)I)O MB23080 [0,2,0,0,0,0|2,0,0]=4 827 B12R1.19 CC(C)Oc1ccc(c(c1)N)O MB23087 [0,2,0,0,0,0|2,0,0]=4 828 B12R1.19 Cc1cc(ccc1O)OC(C)C MB23056 [0,2,0,0,0,0|2,0,0]=4 829 B12R1.20 C[C@H]([C@H](c1ccc(cc1)O)O)N MB00597 [0,2,0,0,0,0|0,0,0]=2 830 B12R1.20 c1cc(ccc1C(C(=O)O)N)O AB02671 [0,2,0,0,0,0|1,0,1]=4 831 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O AB00341 [0,2,0,0,0,0|1,0,1]=4 832 B12R1.106 CC(C)(C)Cc1ccc(cc1)O AB16670 [0,2,0,0,0,0|1,0,0]=3 833 B12R1.106 CC(C)(Cc1ccc(cc1)Br)N AB64460 [0,2,0,0,0,0|1,0,0]=3 834 B12R1.106 CC(C)(Cc1ccc(cc1)Cl)N AB02276 [0,2,0,0,0,0|1,0,0]=3 835 B12R1.106 CC(C)(Cc1ccc(cc1)F)N AB03122 [0,2,0,0,0,0|1,0,0]=3 836 B12R1.106 CC(C)(Cc1ccc(cc1)I)N AB68848 [0,2,0,0,0,0|1,0,0]=3 837 B12R1.106 CC(C)(Cc1ccc(cc1)N)N AB68843 [0,2,0,0,0,0|1,0,0]=3 838 B12R1.106 CC(C)(Cc1ccc(cc1)O)N AB07591 [0,2,0,0,0,0|0,0,0]=2 839 B12R1.106 CC(C)(Cc1ccc(nc1)Br)N AB77419 [0,2,0,0,0,0|2,0,0]=4 840 B12R1.106 CC(C)(Cc1ccc(nc1)Cl)N AB77417 [0,2,0,0,0,0|2,0,0]=4 841 B12R1.106 Cc1ccc(cc1)CC(C)(C)N AB54574 [0,2,0,0,0,0|1,0,0]=3 842 B12R1.106 c1cc(ccc1CC(F)(F)F)Br AB60688 [0,2,0,0,0,0|2,0,0]=4 843 B12R1.106 c1cc(ccc1CC(F)(F)F)I AB85130 [0,2,0,0,0,0|2,0,0]=4 844 B12R1.106 c1cc(ccc1CC(F)(F)F)N AB21252 [0,2,0,0,0,0|2,0,0]=4 845 B12R1.106 c1cc(ccc1CC(F)(F)F)O AB60686 [0,2,0,0,0,0|1,0,0]=3 846 B12R1.106 c1cc(ncc1O)CC(F)(F)F AB85151 [0,2,0,0,0,0|2,0,0]=4 847 B12R1.233 CC(C)Oc1ccc(cc1Br)O MB23132 [0,2,0,0,0,0|2,0,0]=4 848 B12R1.233 CC(C)Oc1ccc(cc1Cl)O MB13560 [0,2,0,0,0,0|2,0,0]=4 849 B12R1.233 CC(C)Oc1ccc(cc1F)O MB23119 [0,2,0,0,0,0|2,0,0]=4 850 B12R1.233 CC(C)Oc1ccc(cc1I)O MB23120 [0,2,0,0,0,0|2,0,0]=4 851 B12R1.233 CC(C)Oc1ccc(cc1N)O MB23121 [0,2,0,0,0,0|2,0,0]=4 852 B12R1.233 Cc1cc(ccc1OC(C)C)O MB13553 [0,2,0,0,0,0|2,0,0]=4 853 B12R1.5 C[C@H](CN)c1ccc(cc1)OC AB85099 [0,2,0,0,0,0|0,0,0]=2 854 B12R1.9 CC(C)(CN)c1ccc(nc1)Cl AB67359 [0,2,0,0,0,0|2,0,0]=4 855 B12R1.9 CC(CN)(c1ccc(cc1)Cl)O AB31025 [0,2,0,0,0,0|1,0,0]=3 856 B12R1.9 CC(CN)(c1ccc(cc1)Cl)O AB49882 [0,2,0,0,0,0|1,0,0]=3 857 B12R1.9 Cc1ccc(cc1)C(CN)(F)F AB84703 [0,2,0,0,0,0|1,0,0]=3 858 B12R1.9 c1cc(ccc1C(CN)(F)F)Br AB76208 [0,2,0,0,0,0|1,0,0]=3 859 B12R1.9 c1cc(ccc1C(CN)(F)F)Cl AB76550 [0,2,0,0,0,0|1,0,0]=3 860 B12R1.9 c1cc(ccc1C(CN)(F)F)F AB76475 [0,2,0,0,0,0|1,0,0]=3 861 B12R1.367 c1cc(c(cc1C(=O)NN)N)O AB01234 [0,2,0,0,0,0|1,0,1]=4 862 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN CB10300 [0,2,0,0,0,0|1,0,1]=4 863 B12R1.1703 c1cc(c(cc1O)O)C(=O)CBr AB16102 [0,2,0,0,0,0|1,0,1]=4 864 B12R1.544 c1cc(c(c(c1CCO)F)F)F AB21107 [0,2,0,0,0,0|2,0,0]=4 865 B12R1.113 B(c1ccc(cc1)CC#C)(O)O AB73221 [0,2,0,0,0,0|1,0,1]=4 866 B12R1.113 B(c1ccc(cc1)CC#N)(O)O PB17220 [0,2,0,0,0,0|0,0,2]=4 867 B12R1.113 B(c1ccc(cc1)CCC)(O)O AB07462 [0,2,0,0,0,0|1,0,0]=3 868 B12R1.113 B(c1ccc(cc1)COC)(O)O AB16006 [0,2,0,0,0,0|2,0,0]=4 869 B12R1.113 B(c1ccc(cc1)OCC)(O)O AB06924 [0,2,0,0,0,0|2,0,0]=4 870 B12R1.113 B(c1ccc(cc1)SCC)(O)O AB08647 [0,2,0,0,0,0|2,0,0]=4 871 B12R1.113 c1cc(ncc1[N+](=O)[O-])CCN AB60203 [0,2,0,0,0,0|1,0,1]=4 872 B12R1.288 CNCc1ccc(c(c1)Cl)OC AB55520 [0,2,0,0,0,0|2,0,0]=4 873 B12R1.288 COc1c(cc(cn1)CCN)F AB76978 [0,2,0,0,0,0|1,0,0]=3 874 B12R1.44 Cc1cc(nc(c1C)C)CCN AB82600 [0,2,0,0,0,0|2,0,0]=4 875 B12R1.286 COc1cc(ccc1O)CC=O CB11185 [0,2,0,0,0,0|1,0,1]=4 876 B10R1.2 c1cc(c(c(c1)O)Br)CN MB08516 [0,0,1,1,0,0|1,0,1]=4 877 B10R1.2 c1cc(c(c(c1)O)F)CN MB25461 [0,0,1,1,0,0|1,0,1]=4 878 B10R1.2 c1cc(c(c(c1)O)I)CN MB34403 [0,0,1,1,0,0|1,0,1]=4 879 B10R1.2 c1cc(c(c(c1)O)N)CN MB35261 [0,0,1,1,0,0|1,0,1]=4 880 B10R1.30 Cc1ccc(cc1CN)O MB26411 [0,0,1,1,0,0|0,0,2]=4 881 B10R1.30 c1cc(c(cc1O)CN)Br MB08427 [0,0,1,1,0,0|1,0,1]=4 882 B10R1.30 c1cc(c(cc1O)CN)Cl MB37155 [0,0,1,1,0,0|1,0,1]=4 883 B10R1.30 c1cc(c(cc1O)CN)F MB12208 [0,0,1,1,0,0|1,0,1]=4 884 B10R1.30 c1cc(c(cc1O)CN)I MB36844 [0,0,1,1,0,0|1,0,1]=4 885 B10R2.7 c1c2c(ncn1)NCC2 AB68426 [1,0,0,1,0,0|2,0,0]=4 886 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [1,0,0,1,0,0|1,0,0]=3 887 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [1,0,0,1,0,0|2,0,0]=4 888 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [1,0,0,1,0,0|1,0,0]=3 889 B10R2.7 c1cnc2c(n1)CCN2 AB75473 [1,0,0,1,0,0|2,0,0]=4 890 B12R2.24 Cc1cc2c(cn1)CCCN2 AB72995 [0,1,0,1,0,0|2,0,0]=4 891 B12R2.24 Cc1cc2c(cn1)CCNC2 AB68344 [0,1,0,1,0,0|2,0,0]=4 892 B12R2.24 Cc1cc2c(nc1)CCNC2 AB50085 [0,1,0,1,0,0|2,0,0]=4 893 B12R2.24 Cc1ccc2c(c1)CCNC2 AB28729 [0,1,0,1,0,0|2,0,0]=4 894 B12R2.24 Cc1ccc2c(c1)CNCC2 AB12958 [0,1,0,1,0,0|1,0,0]=3 895 B12R2.24 Cc1ccc2c(c1)NCCC2 MB04674 [0,1,0,1,0,0|1,0,0]=3 896 B12R2.24 Cc1ccc2c(c1)NCCO2 AB10553 [0,1,0,1,0,0|1,0,0]=3 897 B12R2.24 Cc1ccc2c(n1)CNCC2 AB70133 [0,1,0,1,0,0|2,0,0]=4 898 B12R2.24 Cc1ccc2c(n1)NCCC2 AB29056 [0,1,0,1,0,0|2,0,0]=4 899 B12R2.24 Cc1ccc2c(n1)NCCO2 AB29049 [0,1,0,1,0,0|2,0,0]=4 900 B12R2.24 c1c(cnc2c1CNCC2)Br PB26297 [0,1,0,1,0,0|2,0,0]=4 901 B12R2.24 c1c(cnc2c1CNCC2)Cl AB57080 [0,1,0,1,0,0|2,0,0]=4 902 B12R2.24 c1c(cnc2c1CNCC2)F AB68762 [0,1,0,1,0,0|2,0,0]=4 903 B12R2.24 c1c(cnc2c1CNCC2)O AB44464 [0,1,0,1,0,0|1,0,0]=3 904 B12R2.24 c1c(cnc2c1NCCC2)Br AB75329 [0,1,0,1,0,0|2,0,0]=4 905 B12R2.24 c1c(cnc2c1NCCC2)Cl AB74836 [0,1,0,1,0,0|2,0,0]=4 906 B12R2.24 c1c(cnc2c1NCCO2)Br AB70687 [0,1,0,1,0,0|2,0,0]=4 907 B12R2.24 c1c(cnc2c1NCCO2)Cl AB72676 [0,1,0,1,0,0|2,0,0]=4 908 B12R2.24 c1c2c(cnc1Br)CCCN2 AB72997 [0,1,0,1,0,0|2,0,0]=4 909 B12R2.24 c1c2c(cnc1Cl)CCCN2 AB72994 [0,1,0,1,0,0|2,0,0]=4 910 B12R2.24 c1c2c(cnc1Cl)CCNC2 AB68340 [0,1,0,1,0,0|2,0,0]=4 911 B12R2.24 c1c2c(cnc1Cl)CCNC2 AB72086 [0,1,0,1,0,0|2,0,0]=4 912 B12R2.24 c1cc(nc2c1CCCC2)O AB62868 [0,1,0,1,0,0|2,0,0]=4 913 B12R2.24 c1cc(nc2c1CCNC2)Cl AB68870 [0,1,0,1,0,0|2,0,0]=4 914 B12R2.24 c1cc(nc2c1OCCN2)Cl AB72713 [0,1,0,1,0,0|2,0,0]=4 915 B12R2.24 c1cc2c(cc1Br)CCCN2 PB12808 [0,1,0,1,0,0|2,0,0]=4 916 B12R2.24 c1cc2c(cc1Br)CCCO2 MB08745 [0,1,0,1,0,0|2,0,0]=4 917 B12R2.24 c1cc2c(cc1Br)CCNC2 MB05621 [0,1,0,1,0,0|2,0,0]=4 918 B12R2.24 c1cc2c(cc1Br)CCNC2 PB30910 [0,1,0,1,0,0|2,0,0]=4 919 B12R2.24 c1cc2c(cc1Br)CCOC2 MB09745 [0,1,0,1,0,0|2,0,0]=4 920 B12R2.24 c1cc2c(cc1Br)CNCC2 PB18756 [0,1,0,1,0,0|1,0,0]=3 921 B12R2.24 c1cc2c(cc1Br)NCCC2 PB12525 [0,1,0,1,0,0|1,0,0]=3 922 B12R2.24 c1cc2c(cc1Br)NCCO2 AB45777 [0,1,0,1,0,0|1,0,0]=3 923 B12R2.24 c1cc2c(cc1Br)OCCN2 AB49667 [0,1,0,1,0,0|2,0,0]=4 924 B12R2.24 c1cc2c(cc1Br)OCCO2 AB01820 [0,1,0,1,0,0|2,0,0]=4 925 B12R2.24 c1cc2c(cc1Cl)CCCN2 MB06841 [0,1,0,1,0,0|2,0,0]=4 926 B12R2.24 c1cc2c(cc1Cl)CCNC2 AB28730 [0,1,0,1,0,0|2,0,0]=4 927 B12R2.24 c1cc2c(cc1Cl)CNCC2 AB22480 [0,1,0,1,0,0|1,0,0]=3 928 B12R2.24 c1cc2c(cc1Cl)NCCC2 MB06330 [0,1,0,1,0,0|1,0,0]=3 929 B12R2.24 c1cc2c(cc1Cl)NCCO2 AB45772 [0,1,0,1,0,0|1,0,0]=3 930 B12R2.24 c1cc2c(cc1Cl)OCCN2 AB30914 [0,1,0,1,0,0|2,0,0]=4 931 B12R2.24 c1cc2c(cc1F)CCCN2 MB06900 [0,1,0,1,0,0|2,0,0]=4 932 B12R2.24 c1cc2c(cc1F)CCCO2 AB43944 [0,1,0,1,0,0|2,0,0]=4 933 B12R2.24 c1cc2c(cc1F)CCNC2 AB28734 [0,1,0,1,0,0|2,0,0]=4 934 B12R2.24 c1cc2c(cc1F)CCOC2 MB09734 [0,1,0,1,0,0|2,0,0]=4 935 B12R2.24 c1cc2c(cc1F)CNCC2 AB13380 [0,1,0,1,0,0|1,0,0]=3 936 B12R2.24 c1cc2c(cc1F)NCCO2 AB45774 [0,1,0,1,0,0|1,0,0]=3 937 B12R2.24 c1cc2c(cc1F)OCCN2 AB64780 [0,1,0,1,0,0|2,0,0]=4 938 B12R2.24 c1cc2c(cc1I)CCCN2 MB08861 [0,1,0,1,0,0|2,0,0]=4 939 B12R2.24 c1cc2c(cc1I)NCCO2 MB06366 [0,1,0,1,0,0|1,0,0]=3 940 B12R2.24 c1cc2c(cc1N)C=NCC2 AB44239 [0,1,0,1,0,0|1,0,1]=4 941 B12R2.24 c1cc2c(cc1N)CCCN2 AB50011 [0,1,0,1,0,0|2,0,0]=4 942 B12R2.24 c1cc2c(cc1N)CCNC2 AB19115 [0,1,0,1,0,0|2,0,0]=4 943 B12R2.24 c1cc2c(cc1N)CCOC2 MB07027 [0,1,0,1,0,0|2,0,0]=4 944 B12R2.24 c1cc2c(cc1N)CNCC2 AB21317 [0,1,0,1,0,0|1,0,0]=3 945 B12R2.24 c1cc2c(cc1N)NCCO2 AB44324 [0,1,0,1,0,0|1,0,0]=3 946 B12R2.24 c1cc2c(cc1N)OCCN2 AB49277 [0,1,0,1,0,0|2,0,0]=4 947 B12R2.24 c1cc2c(cc1O)CCNC2 AB09835 [0,1,0,1,0,0|1,0,0]=3 948 B12R2.24 c1cc2c(cc1O)CNCC2 MB05747 [0,1,0,1,0,0|0,0,0]=2 949 B12R2.24 c1cc2c(cc1O)NCCO2 AB06521 [0,1,0,1,0,0|0,0,0]=2 950 B12R2.24 c1cc2c(cc1O)NCCO2 MB00965 [0,1,0,1,0,0|0,0,0]=2 951 B12R2.24 c1cc2c(cc1O)OCCN2 MB09266 [0,1,0,1,0,0|1,0,0]=3 952 B12R2.79 Cc1ccc(cc1)[C@@H]2C[C@H]2N MB69375 [0,1,0,1,0,0|1,0,0]=3 953 B12R2.79 c1cc(ccc1[C@@H]2C[C@H]2N)F MB69383 [0,1,0,1,0,0|1,0,0]=3 954 B12R2.132 CN1CCc2c1cc(cc2)N AB55966 [0,1,0,1,0,0|1,0,0]=3 955 B12R2.132 Cc1ccc2c(c1)C(CC2)N AB38275 [0,1,0,1,0,0|1,0,0]=3 956 B12R2.132 Cc1ccc2c(c1)[C@@H](CC2)N AB29147 [0,1,0,1,0,0|1,0,0]=3 957 B12R2.132 Cc1ccc2c(c1)[C@H](CC2)N AB29143 [0,1,0,1,0,0|1,0,0]=3 958 B12R2.132 Cn1c2cc(ccc2cn1)O MB01167 [0,1,0,1,0,0|1,0,1]=4 959 B12R2.132 c1c(cnc2c1C(CC2)N)Br AB70101 [0,1,0,1,0,0|2,0,0]=4 960 B12R2.132 c1c(cnc2c1C(CC2)N)Cl AB70104 [0,1,0,1,0,0|2,0,0]=4 961 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 PB34016 [0,1,0,1,0,0|2,0,0]=4 962 B12R2.132 c1cc2c(cc1Br)C(CC2)N AB38388 [0,1,0,1,0,0|1,0,0]=3 963 B12R2.132 c1cc2c(cc1Br)C(CO2)N AB27755 [0,1,0,1,0,0|1,0,0]=3 964 B12R2.132 c1cc2c(cc1Br)[C@@H](CC2)N PB13067 [0,1,0,1,0,0|1,0,0]=3 965 B12R2.132 c1cc2c(cc1Br)[C@H](CC2)N PB13072 [0,1,0,1,0,0|1,0,0]=3 966 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 PB14192 [0,1,0,1,0,0|2,0,0]=4 967 B12R2.132 c1cc2c(cc1Cl)C(CC2)N AB38353 [0,1,0,1,0,0|1,0,0]=3 968 B12R2.132 c1cc2c(cc1Cl)C(CO2)N AB27750 [0,1,0,1,0,0|1,0,0]=3 969 B12R2.132 c1cc2c(cc1Cl)[C@@H](CC2)N AB38355 [0,1,0,1,0,0|1,0,0]=3 970 B12R2.132 c1cc2c(cc1Cl)[C@H](CC2)N AB38357 [0,1,0,1,0,0|1,0,0]=3 971 B12R2.132 c1cc2c(cc1F)C(=O)CC2 AB08649 [0,1,0,1,0,0|2,0,0]=4 972 B12R2.132 c1cc2c(cc1F)C(CC2)N AB38286 [0,1,0,1,0,0|1,0,0]=3 973 B12R2.132 c1cc2c(cc1F)C(CO2)N AB27751 [0,1,0,1,0,0|1,0,0]=3 974 B12R2.132 c1cc2c(cc1F)[C@@H](CC2)N AB07709 [0,1,0,1,0,0|1,0,0]=3 975 B12R2.132 c1cc2c(cc1F)[C@H](CC2)N AB38290 [0,1,0,1,0,0|1,0,0]=3 976 B12R2.132 c1cc2c(cc1O)C(=O)NC2 MB06080 [0,1,0,1,0,0|1,0,1]=4 977 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N PB30817 [0,1,0,1,0,0|0,0,0]=2 978 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N PB32707 [0,1,0,1,0,0|0,0,0]=2 979 B12R2.294 Cc1ccc(cc1)OC2CC2 MB35889 [0,1,0,1,0,0|2,0,0]=4 980 B12R2.294 c1cc(ccc1N)OC2CC2 MB11809 [0,1,0,1,0,0|2,0,0]=4 981 B12R2.294 c1cc(ccc1O)OC2CC2 MB20165 [0,1,0,1,0,0|1,0,0]=3 982 B12R2.294 c1cc(ccc1OC2CC2)Br MB06312 [0,1,0,1,0,0|2,0,0]=4 983 B12R2.294 c1cc(ccc1OC2CC2)Cl MB49590 [0,1,0,1,0,0|2,0,0]=4 984 B12R2.294 c1cc(ccc1OC2CC2)F MB37870 [0,1,0,1,0,0|2,0,0]=4 985 B12R2.294 c1cc(ccc1OC2CC2)I MB25540 [0,1,0,1,0,0|2,0,0]=4 986 B12R2.606 c1cc2c(cc1Br)CC(C2)N AB22071 [0,1,0,1,0,0|1,0,0]=3 987 B12R2.606 c1cc2c(cc1Br)CC(C2)N AB55794 [0,1,0,1,0,0|1,0,0]=3 988 B12R2.606 c1cc2c(cc1Br)CC(C2)O AB66019 [0,1,0,1,0,0|2,0,0]=4 989 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 PB24760 [0,1,0,1,0,0|1,0,1]=4 990 B12R2.606 c1cc2c(cc1Cl)CC(C2)N AB69974 [0,1,0,1,0,0|1,0,0]=3 991 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 AB04797 [0,1,0,1,0,0|1,0,1]=4 992 B12R2.606 c1cc2c(cc1F)CC(C2)N AB43712 [0,1,0,1,0,0|1,0,0]=3 993 B12R2.606 c1cc2c(cc1F)NC(=O)C2 AB02036 [0,1,0,1,0,0|1,0,1]=4 994 B12R2.606 c1cc2c(cc1N)NC(=O)C2 PB17556 [0,1,0,1,0,0|1,0,1]=4 995 B12R2.606 c1cc2c(cc1O)NC(=O)C2 AB21813 [0,1,0,1,0,0|0,0,1]=3 996 B12R2.290 Cc1ccc(cc1)C2(CC2)N AB32578 [0,1,0,1,0,0|2,0,0]=4 997 B12R2.290 c1cc(ccc1C2(CC2)N)Br AB39547 [0,1,0,1,0,0|2,0,0]=4 998 B12R2.290 c1cc(ccc1C2(CC2)N)Cl AB32576 [0,1,0,1,0,0|2,0,0]=4 999 B12R2.290 c1cc(ccc1C2(CC2)N)F AB39550 [0,1,0,1,0,0|2,0,0]=4 1000 B12R2.612 Cc1ccc2c(c1)CCC2N AB38267 [0,1,0,1,0,0|2,0,0]=4 1001 B12R2.612 Cc1ccc2c(c1)CC[C@@H]2N AB38272 [0,1,0,1,0,0|2,0,0]=4 1002 B12R2.612 Cc1ccc2c(c1)CC[C@H]2N AB38268 [0,1,0,1,0,0|2,0,0]=4 1003 B12R2.612 c1cc2c(cc1Br)CCC2N AB38395 [0,1,0,1,0,0|2,0,0]=4 1004 B12R2.612 c1cc2c(cc1Br)CCC2O AB30452 [0,1,0,1,0,0|2,0,0]=4 1005 B12R2.612 c1cc2c(cc1Br)CC[C@@H]2N AB29101 [0,1,0,1,0,0|2,0,0]=4 1006 B12R2.612 c1cc2c(cc1Br)CC[C@H]2N AB29099 [0,1,0,1,0,0|2,0,0]=4 1007 B12R2.612 c1cc2c(cc1Br)OCC2N AB51059 [0,1,0,1,0,0|2,0,0]=4 1008 B12R2.612 c1cc2c(cc1Cl)CCC2N AB38345 [0,1,0,1,0,0|2,0,0]=4 1009 B12R2.612 c1cc2c(cc1Cl)CC[C@@H]2N AB38352 [0,1,0,1,0,0|2,0,0]=4 1010 B12R2.612 c1cc2c(cc1Cl)CC[C@H]2N AB38349 [0,1,0,1,0,0|2,0,0]=4 1011 B12R2.612 c1cc2c(cc1Cl)OCC2N AB56718 [0,1,0,1,0,0|2,0,0]=4 1012 B12R2.612 c1cc2c(cc1F)CCC2N AB38284 [0,1,0,1,0,0|2,0,0]=4 1013 B12R2.612 c1cc2c(cc1F)CC[C@@H]2N AB29094 [0,1,0,1,0,0|2,0,0]=4 1014 B12R2.612 c1cc2c(cc1F)CC[C@H]2N AB29097 [0,1,0,1,0,0|2,0,0]=4 1015 B12R2.612 c1cc2c(cc1F)OCC2N AB56716 [0,1,0,1,0,0|2,0,0]=4 1016 B12R2.612 c1cc2c(cc1O)CC[C@H]2N AB43048 [0,1,0,1,0,0|1,0,0]=3 1017 B12R2.246 Cc1cc2c(c(n1)Cl)CCN2 AB73022 [0,1,0,1,0,0|2,0,0]=4 1018 B12R2.246 c1c(cc(c2=CCN=c21)Br)O AB13574 [0,1,0,1,0,0|0,0,2]=4 1019 B12R2.44 COc1ccc2c(c1)CNC2 AB30381 [0,1,0,1,0,0|2,0,0]=4 1020 B12R2.44 COc1ccc2c(c1)N=CC2 AB01327 [0,1,0,1,0,0|0,0,2]=4 1021 B12R2.44 COc1ccc2c(c1)N=NC2 PB23628 [0,1,0,1,0,0|1,0,1]=4 1022 B12R2.44 COc1ccc2c(c1)NCC2 AB32628 [0,1,0,1,0,0|0,0,0]=2 1023 B12R2.44 c1cc2c(cc1CO)CNC2 MB09741 [0,1,0,1,0,0|2,0,0]=4 1024 B12R2.100 c1c2=CCN=c2cc(c1O)Br PB28586 [0,1,0,1,0,0|2,0,0]=4 1025 B12R2.100 c1c2=CCN=c2cc(c1O)Cl PB21381 [0,1,0,1,0,0|2,0,0]=4 1026 B12R2.100 c1c2c(cc(c1Br)O)N=NC2 MB15046 [0,1,0,1,0,0|1,0,1]=4 1027 B12R2.100 c1c2c(cc(c1Cl)F)NCC2 MB14985 [0,1,0,1,0,0|1,0,0]=3 1028 B12R2.100 c1c2c(cc(c1Cl)O)N=NC2 MB15043 [0,1,0,1,0,0|1,0,1]=4 1029 B12R2.100 c1c2c(cc(c1F)Cl)NCC2 MB12062 [0,1,0,1,0,0|1,0,0]=3 1030 B12R2.100 c1c2c(cc(c1F)F)NCC2 MB01679 [0,1,0,1,0,0|1,0,0]=3 1031 B12R2.100 c1c2c(cc(c1F)O)N=NC2 MB09014 [0,1,0,1,0,0|1,0,1]=4 1032 B12R2.100 c1c2c(cc(c1I)O)N=NC2 MB15048 [0,1,0,1,0,0|1,0,1]=4 1033 B8R1.1 Cc1cc(oc1)CN PB24200 [1,0,0,0,1,0|2,0,0]=4 1034 B8R1.1 Cc1cc(sc1)CN AB25763 [1,0,0,0,1,0|2,0,0]=4 1035 B8R1.1 Cc1ccc(s1)CN AB07827 [1,0,0,0,1,0|2,0,0]=4 1036 B8R1.1 Cn1ccc(c1)CN AB48514 [1,0,0,0,1,0|2,0,0]=4 1037 B8R1.1 c1c(csc1Br)CN PB32960 [1,0,0,0,1,0|2,0,0]=4 1038 B8R1.1 c1c(csc1CN)Br PB27838 [1,0,0,0,1,0|2,0,0]=4 1039 B8R1.1 c1c(csc1CN)Cl PB16734 [1,0,0,0,1,0|2,0,0]=4 1040 B8R1.1 c1c(csc1Cl)CN PB15278 [1,0,0,0,1,0|2,0,0]=4 1041 B8R1.1 c1c(onc1O)CN MB00477 [1,0,0,0,1,0|2,0,0]=4 1042 B8R1.1 c1cc(sc1CN)Br PB24892 [1,0,0,0,1,0|2,0,0]=4 1043 B8R1.1 c1cc(sc1CN)Cl PB22134 [1,0,0,0,1,0|2,0,0]=4 1044 B8R1.1 c1cc(sc1CN)F PB33422 [1,0,0,0,1,0|2,0,0]=4 1045 B8R1.8 c1c(con1)CCN AB28074 [1,0,0,0,1,0|2,0,0]=4 1046 B8R1.8 c1c(ncs1)CCN AB45423 [1,0,0,0,1,0|2,0,0]=4 1047 B8R1.8 c1cc(sc1)CCN PB12982 [1,0,0,0,1,0|1,0,0]=3 1048 B8R1.8 c1cc(sc1)CCO PB32074 [1,0,0,0,1,0|2,0,0]=4 1049 B8R1.8 c1cc(sc1)CNN PB12479 [1,0,0,0,1,0|2,0,0]=4 1050 B8R1.8 c1ccn(c1)CCBr MB00850 [1,0,0,0,1,0|2,0,0]=4 1051 B8R1.8 c1cn(cn1)CCN AB13191 [1,0,0,0,1,0|2,0,0]=4 1052 B8R1.8 c1cnn(c1)CCN AB15836 [1,0,0,0,1,0|2,0,0]=4 1053 B8R1.8 c1csc(n1)CCN AB28436 [1,0,0,0,1,0|2,0,0]=4 1054 B8R1.8 c1csc(n1)CCN AB43209 [1,0,0,0,1,0|2,0,0]=4 1055 B8R1.8 c1cscc1CCN PB24618 [1,0,0,0,1,0|1,0,0]=3 1056 B8R1.8 c1cscc1CCO PB25903 [1,0,0,0,1,0|2,0,0]=4 1057 B8R1.8 c1cscc1CNN PB25191 [1,0,0,0,1,0|2,0,0]=4