0 B10R1.1 C#CCc1ccc(cc1)Br AB61388 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.1 C#CCc1ccc(cc1)Cl AB61380 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.1 C#CCc1ccc(cc1)F AB61384 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.1 C#CCc1ccc(cc1)I AB73225 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.1 CCCc1ncc(cn1)Cl AB59170 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.1 CCNc1ccc(cn1)Br AB51199 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.1 CCOc1ccc(cn1)Br AB05210 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.1 CCOc1ccc(cn1)N AB09602 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.1 CCOc1ccc(nn1)Cl MB01118 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.1 CCOc1cnc(cn1)Br AB51350 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.1 CCOc1cnc(nc1)Br PB31743 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.1 CCOc1cnc(nc1)Cl PB17760 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.1 CCOc1ncc(cn1)Br AB41256 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.1 CCOc1ncc(cn1)N AB58985 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.1 CNCc1ccc(cn1)Br AB49704 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.1 CNCc1ccc(cn1)Cl AB67610 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.1 CNCc1ccc(cn1)F AB67668 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.1 CNCc1ccc(cn1)N AB67748 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.1 CNCc1ccc(nc1)Br AB67269 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.1 CNCc1ccc(nc1)Cl AB52618 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.1 Cc1ccc(cc1)\C=C\Br AB73509 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.1 Cc1ccc(cn1)CCN AB55173 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.1 Cc1ccc(cn1)CNC AB63786 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.1 Cc1ccc(nc1)CCN AB31467 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.1 Cc1ccc(nc1)CNC AB67504 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.1 c1cc(ccc1CC#N)F AB00175 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.1 c1cc(ccc1CC=O)F AB11805 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.1 c1cc(ccc1CC=O)N AB27688 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.1 c1cc(ccc1CCBr)N MB02970 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.1 c1cc(ccc1CCN)Br AB00934 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.1 c1cc(ccc1CCN)F AB03730 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.1 c1cc(ccc1CCN)N AB00936 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.1 c1cc(ccc1CCO)Br AB00280 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.1 c1cc(ccc1CNN)Br PB32548 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.1 c1cc(ccc1CNN)F PB20964 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.1 c1cc(ccc1N=[N+]=[N-])Br AB50568 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.1 c1cc(ccc1\C=C\Br)Br AB32162 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.1 c1cc(ccc1\C=C\Br)Cl AB32165 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.1 c1cc(ccc1\C=C\Br)F AB66443 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.1 c1cc(ccc1\C=N\O)Br AB06151 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.1 c1cc(ncc1Br)CCN PB20258 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.1 c1cc(ncc1Br)CCO PB14792 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.1 c1cc(ncc1CCN)Br AB45460 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.1 c1cc(ncc1CCN)N AB76809 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.1 c1cc(ncc1F)CCN AB45484 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.1 c1cc(ncc1N)CCN AB67762 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.1 c1cc(ncc1O)CCN AB67805 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.1 C#Cc1ccc(cc1)Cl PB21668 [1,0,0,0,0,0|1,0,2]=4 57 B9R1.1 C#Cc1ccc(nc1)O AB69001 [1,0,0,0,0,0|1,0,2]=4 58 B9R1.1 CCc1ccc(cn1)N AB63590 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.1 CCc1ccc(cn1)O MB03842 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.1 CCc1ccc(nc1)Br MB10294 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.1 CCc1cnc(cn1)Br AB64001 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.1 CCc1cnc(cn1)Cl AB73111 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.1 CCc1cnc(cn1)N AB60527 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.1 CCc1cnc(nc1)Cl PB27514 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.1 CCc1cnc(nc1)N AB51220 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.1 CCc1ncc(cn1)N PB12017 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.1 CNc1ccc(cn1)Br AB44353 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.1 CNc1ccc(cn1)Cl AB07756 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.1 CNc1ccc(cn1)O AB69733 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.1 CNc1ccc(nc1)Br MB01005 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.1 CNc1ccc(nc1)Cl AB60605 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.1 COc1c[nH]c(=O)nc1 AB60177 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.1 COc1cc[n+](cc1)[O-] AB00619 [1,0,0,0,0,0|1,0,1]=3 74 B9R1.1 COc1ccc(cn1)Br AB08771 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.1 COc1ccc(cn1)Cl AB23682 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.1 COc1ccc(cn1)F AB13611 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.1 COc1ccc(cn1)N PB27370 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.1 COc1ccc(cn1)O CB10969 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.1 COc1ccc(nc1)Br PB22062 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.1 COc1ccc(nc1)Cl AB25956 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.1 COc1ccc(nc1)F AB66773 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.1 COc1ccc(nc1)I AB11726 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.1 COc1ccc(nc1)N PB14487 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.1 COc1ccc(nn1)Cl PB28962 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.1 COc1ccc(nn1)I AB59856 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.1 COc1ccc(nn1)N PB23243 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.1 COc1cnc(cn1)Br PB10528 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.1 COc1cnc(cn1)Cl PB22219 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.1 COc1cnc(cn1)I AB75719 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.1 COc1cnc(cn1)N PB26534 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.1 COc1cnc(nc1)Br PB21090 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.1 COc1cnc(nc1)Cl PB32662 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.1 COc1cnc(nc1)N PB30618 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.1 COc1ncc(cn1)Br AB21286 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.1 COc1ncc(cn1)Cl AB42003 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.1 COc1ncc(cn1)N AB43671 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.1 COc1ncc(cn1)O AB58606 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.1 CSc1ccc(cn1)Br AB14151 [1,0,0,0,0,0|2,1,0]=4 99 B9R1.1 CSc1ccc(cn1)O MB25590 [1,0,0,0,0,0|1,1,0]=3 100 B9R1.1 CSc1ccc(nc1)Br MB03440 [1,0,0,0,0,0|2,1,0]=4 101 B9R1.1 CSc1ncc(cn1)O AB04983 [1,0,0,0,0,0|2,1,0]=4 102 B9R1.1 Cc1ccc(cn1)CCl AB59938 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.1 Cc1ccc(cn1)CN PB20145 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.1 Cc1ccc(cn1)OC AB52739 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.1 Cc1ccc(nc1)CCl AB59994 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.1 Cc1ccc(nc1)CN AB48926 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.1 Cc1ccc(nn1)OC AB51434 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl MB03556 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.1 c1c(cnc(n1)O)CN AB58547 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.1 c1c(cnc(n1)O)CO AB63514 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.1 c1c[n+](ccc1ON)[O-] AB31589 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.1 c1cc(ccc1CBr)Br AB00113 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.1 c1cc(ccc1CI)O MB06957 [1,0,0,0,0,0|1,0,0]=2 115 B9R1.1 c1cc(ccc1CN)O AB11678 [1,0,0,0,0,0|1,0,0]=2 116 B9R1.1 c1cc(ncc1Br)CCl AB60010 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.1 c1cc(ncc1Br)CN AB23456 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.1 c1cc(ncc1Br)CO AB66533 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.1 c1cc(ncc1Br)CO PB18645 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.1 c1cc(ncc1C#N)O PB17354 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.1 c1cc(ncc1CBr)F PB28287 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.1 c1cc(ncc1CCl)Br AB59933 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.1 c1cc(ncc1CCl)Cl AB03513 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.1 c1cc(ncc1CCl)Cl AB59950 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.1 c1cc(ncc1CCl)F PB13291 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.1 c1cc(ncc1CCl)N AB59930 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.1 c1cc(ncc1CN)Br AB27793 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 c1cc(ncc1CN)Cl PB17175 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.1 c1cc(ncc1CN)F PB19133 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.1 c1cc(ncc1CO)Br PB14409 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.1 c1cc(ncc1CO)Cl PB17199 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.1 c1cc(ncc1CO)F PB14327 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.1 c1cc(ncc1CO)N PB26211 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.1 c1cc(ncc1Cl)CN AB60187 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.1 c1cc(ncc1Cl)CO AB56068 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.1 c1cc(ncc1F)CCl AB62501 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.1 c1cc(ncc1F)CN AB60189 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.1 c1cc(ncc1F)CO PB22210 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.1 c1cc(ncc1N)CN AB23447 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.1 c1cc(ncc1N)CO AB31872 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.1 c1cc(ncc1O)C#N PB12442 [1,0,0,0,0,0|2,0,1]=4 143 B9R1.1 c1cc(ncc1O)C=O AB59867 [1,0,0,0,0,0|2,0,1]=4 144 B9R1.1 c1cc(ncc1O)CN MB14856 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.8 CNCc1ccccn1 AB10674 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.8 CNCc1cccnc1 AB01384 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.8 CNCc1ccncc1 AB02721 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.8 c1cc(cnc1)CCN AB04606 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.8 c1ccc(cc1)NC#N MB01061 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,0,0,0,0,0|2,0,1]=4 151 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.8 c1ccnc(c1)CCN AB00732 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.8 c1cnccc1CCN AB01702 [1,0,0,0,0,0|3,0,0]=4 154 B11R1.1 CCCOc1cnc(cn1)Br AB54208 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.1 CCCOc1ncc(cn1)Br AB41267 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.1 CNCCc1ccc(cc1)F AB27731 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.1 CNCCc1ccc(cc1)N AB27726 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.1 Cc1ccc(cn1)CCCN AB66947 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [0,1,0,0,0,0|1,0,1]=3 168 B11R1.1 c1cc(ccc1CCCN)Br AB23350 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.1 c1cc(ccc1CCCN)Cl AB23351 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.1 c1cc(ccc1CCCN)F AB38689 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.1 c1cc(ccc1CCCN)F AB66835 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.1 c1cc(ccc1CCCN)N AB51238 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.1 c1cc(ccc1CCCN)O AB07598 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.1 c1cc(ccc1CCCO)Br CB11205 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.1 c1cc(ccc1OCC#N)Cl PB28971 [0,1,0,0,0,0|1,0,1]=3 176 B11R1.1 c1cc(ccc1OCCCl)Cl AB13874 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.1 c1cc(ncc1CCCN)Br AB55119 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.1 c1cc(ncc1CCCN)Cl AB55114 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AB06566 [0,1,0,0,0,0|1,0,1]=3 180 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [0,1,0,0,0,0|0,0,0]=1 181 B11R1.20 CC(C)Oc1ccc(cn1)Br MB04495 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.20 CC(C)Oc1ccc(cn1)N AB40632 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.20 CC(C)Oc1ccc(cn1)O MB23136 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.20 CC(C)Oc1ccc(nc1)Br MB13762 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.20 CC(C)Oc1ccc(nn1)Br MB08578 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.20 CC(C)Oc1ccc(nn1)Cl MB01121 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.20 CC(C)Oc1cnc(cn1)Br AB54269 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.20 CC(C)Oc1ncc(cn1)Br MB11470 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.20 CN(C)Cc1ccc(cc1)Br AB01531 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.20 CN(C)Cc1ccc(cc1)N AB01571 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.22 CCC(=O)c1ccc(cn1)Br AB68534 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.22 CNC(=O)c1ccc(cn1)O MB11446 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.22 COC(=N)c1ccc(cc1)F AB60956 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.22 COC(=N)c1ccc(cc1)N AB60980 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.22 COC(=N)c1ccc(cc1)O AB01949 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.22 COC(=O)c1ccc(cn1)O PB27686 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.22 COC(=O)c1ccc(nc1)O PB34296 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.22 COS(=O)c1ccc(cc1)Cl AB45287 [0,1,0,0,0,0|2,1,0]=4 207 B11R1.22 C[C@@H](CN)c1ccc(cc1)Br AB85104 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.22 C[C@H](CN)c1ccc(cc1)Br AB85095 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.22 C[C@H](CN)c1ccc(cc1)F AB85098 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.22 c1cc(ccc1C(=O)C=O)O AB02263 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.81 CCOc1c(cc(cn1)Br)F AB40985 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.81 CCOc1c(cc(cn1)Br)I AB31057 [0,1,0,0,0,0|2,0,0]=3 215 B11R1.81 CCOc1c(cc(cn1)Br)N AB40966 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.81 CCOc1c(cc(cn1)Cl)F AB41060 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.81 CCOc1c(cc(cn1)Cl)N AB41041 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.81 CCOc1c(cc(cn1)N)F AB40828 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.81 CNCc1ccc(cc1Cl)Cl PB15788 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.83 CCCc1ccc(cc1)NN AB23596 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.83 CCCc1ccc(cn1)C#N AB28605 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.83 CCOc1ccc(cn1)C#C AB68996 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.83 CCOc1ccc(cn1)CCl AB59947 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.83 CCOc1ccc(nc1)C=O AB73192 [0,1,0,0,0,0|1,0,1]=3 225 B11R1.83 CNCc1ccc(cn1)OC AB67556 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.83 CNCc1ccc(nc1)OC AB67058 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.83 COc1ccc(cc1)CC#C AB61379 [0,1,0,0,0,0|1,0,2]=4 228 B11R1.83 COc1ccc(cc1)CC=O AB11810 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.83 COc1ccc(cc1)CCO AB00284 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.83 COc1ccc(cc1)CNN PB19937 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.83 COc1ccc(cc1)\C=C\Br AB06149 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.83 COc1ccc(cn1)CCBr AB72327 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.83 COc1ccc(cn1)CCN AB45430 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.83 COc1ccc(nc1)CCBr AB73197 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.83 COc1ccc(nc1)CCN AB65488 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.83 c1cc(ccc1CCN)CO AB30409 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.83 c1cc(ccc1CCO)C#N CB10174 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.192 CCOc1[nH]c(=O)c(cn1)F AB13900 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.192 CCOc1cc(c(cn1)N)N AB66694 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.192 CCOc1ccc(c(c1)F)N AB09444 [0,1,0,0,0,0|1,0,0]=2 241 B11R1.192 c1c(cnc(c1Cl)O)CCN AB84072 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.192 c1c(ncc(c1Cl)O)CCN AB84016 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.192 c1cc(c(nc1CCN)Cl)O AB84098 [0,1,0,0,0,0|3,0,0]=4 244 B11R2.34 c1cc(ncc1Br)C2CC2 AB65328 [0,0,0,1,0,0|3,0,0]=4 245 B11R2.34 c1cc(ncc1C2CC2)Br MB10291 [0,0,0,1,0,0|3,0,0]=4 246 B11R2.36 Cc1cc2c(nc1)NCC2 AB26240 [0,0,0,1,0,0|3,0,0]=4 247 B11R2.36 Cc1ccc2c(c1)CNC2 AB49687 [0,0,0,1,0,0|3,0,0]=4 248 B11R2.36 Cc1ccc2c(c1)NCC2 MB04575 [0,0,0,1,0,0|3,0,0]=4 249 B11R2.36 Cc1ccc2c(c1)cco2 MB00739 [0,0,0,1,0,0|1,0,2]=4 250 B11R2.36 c1c(cnc2=NCC=c21)O PB25038 [0,0,0,1,0,0|2,0,1]=4 251 B11R2.36 c1c(cnc2c1CCN2)Br PB26222 [0,0,0,1,0,0|3,0,0]=4 252 B11R2.36 c1c(cnc2c1OCO2)Br AB66660 [0,0,0,1,0,0|3,0,0]=4 253 B11R2.36 c1c(cnc2c1OCO2)Cl AB73686 [0,0,0,1,0,0|3,0,0]=4 254 B11R2.36 c1c(cnc2c1OCO2)F AB73689 [0,0,0,1,0,0|3,0,0]=4 255 B11R2.36 c1c2c(cnc1Br)NCC2 AB76736 [0,0,0,1,0,0|3,0,0]=4 256 B11R2.36 c1c2c(cnc1Cl)NCC2 AB70159 [0,0,0,1,0,0|3,0,0]=4 257 B11R2.36 c1cc(cc2c1cco2)O MB06436 [0,0,0,1,0,0|2,0,1]=4 258 B11R2.36 c1cc(nc2c1NCC2)Br AB73732 [0,0,0,1,0,0|3,0,0]=4 259 B11R2.36 c1cc(nc2c1NCC2)Cl AB71540 [0,0,0,1,0,0|3,0,0]=4 260 B11R2.36 c1cc(nc2c1NCC2)F AB73742 [0,0,0,1,0,0|3,0,0]=4 261 B11R2.36 c1cc2c(cc1Br)CCC2 MB07871 [0,0,0,1,0,0|2,0,0]=3 262 B11R2.36 c1cc2c(cc1Br)CNC2 PB29483 [0,0,0,1,0,0|3,0,0]=4 263 B11R2.36 c1cc2c(cc1Br)NCC2 MB04573 [0,0,0,1,0,0|3,0,0]=4 264 B11R2.36 c1cc2c(cc1Br)OCC2 MB06567 [0,0,0,1,0,0|3,0,0]=4 265 B11R2.36 c1cc2c(cc1Br)cno2 AB26012 [0,0,0,1,0,0|2,0,1]=4 266 B11R2.36 c1cc2c(cc1Br)nco2 AB13423 [0,0,0,1,0,0|2,0,1]=4 267 B11R2.36 c1cc2c(cc1Cl)CNC2 MB09657 [0,0,0,1,0,0|3,0,0]=4 268 B11R2.36 c1cc2c(cc1F)CCO2 AB43939 [0,0,0,1,0,0|1,0,0]=2 269 B11R2.36 c1cc2c(cc1F)CNC2 MB03627 [0,0,0,1,0,0|3,0,0]=4 270 B11R2.36 c1cc2c(cc1F)NCC2 AB01334 [0,0,0,1,0,0|3,0,0]=4 271 B11R2.36 c1cc2c(cc1F)nco2 AB45629 [0,0,0,1,0,0|2,0,1]=4 272 B11R2.36 c1cc2c(cc1I)CNC2 MB11263 [0,0,0,1,0,0|3,0,0]=4 273 B11R2.36 c1cc2c(cc1N)CCC2 CB10015 [0,0,0,1,0,0|2,0,0]=3 274 B11R2.36 c1cc2c(cc1N)CCO2 AB15578 [0,0,0,1,0,0|1,0,0]=2 275 B11R2.36 c1cc2c(cc1N)CNC2 AB50244 [0,0,0,1,0,0|3,0,0]=4 276 B11R2.36 c1cc2c(cc1N)NCC2 MB00375 [0,0,0,1,0,0|3,0,0]=4 277 B11R2.36 c1cc2c(cc1N)cno2 AB70278 [0,0,0,1,0,0|2,0,1]=4 278 B11R2.36 c1cc2c(cc1N)nco2 AB21693 [0,0,0,1,0,0|2,0,1]=4 279 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [0,0,0,1,0,0|1,0,1]=3 280 B11R2.36 c1cc2c(cco2)cc1Br MB02701 [0,0,0,1,0,0|1,0,2]=4 281 B11R2.36 c1cc2c(cco2)cc1Cl AB62579 [0,0,0,1,0,0|1,0,2]=4 282 B11R2.36 c1cc2c(cco2)cc1F AB43937 [0,0,0,1,0,0|1,0,2]=4 283 B11R2.36 c1cc2c(cco2)cc1N AB20798 [0,0,0,1,0,0|1,0,2]=4 284 B11R2.36 c1cc2c(cco2)cc1O MB08821 [0,0,0,1,0,0|0,0,2]=3 285 B9R1.7 CCOc1nc(cs1)Br AB42966 [0,0,0,0,1,0|3,0,0]=4 286 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|1,0,0]=3 288 B8R1.2 COc1cccnn1 AB05130 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.2 COc1ccnnc1 AB44150 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.2 c1cc(cnc1)CCl AB01984 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.2 c1cc(cnc1)CN AB00752 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.2 c1ccnc(c1)CBr MB02148 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.2 c1ccnc(c1)CCl AB22495 [2,0,0,0,0,0|2,0,0]=4 294 B8R1.2 c1ccnc(c1)CN AB00731 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.2 c1cnccc1CCl AB15539 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.2 c1cnccc1CN AB00767 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.2 c1cnccc1ON AB31585 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.3 Cc1ccc(cn1)Br AB06624 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.3 Cc1ccc(cn1)Cl AB17956 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.3 Cc1ccc(cn1)F PB18589 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.3 Cc1ccc(cn1)N PB32227 [2,0,0,0,0,0|2,0,0]=4 302 B8R1.3 Cc1ccc(cn1)O PB30543 [2,0,0,0,0,0|1,0,0]=3 303 B8R1.3 Cc1ccc(nc1)Br PB17145 [2,0,0,0,0,0|2,0,0]=4 304 B8R1.3 Cc1ccc(nc1)Cl AB07104 [2,0,0,0,0,0|2,0,0]=4 305 B8R1.3 Cc1ccc(nc1)F AB01857 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.3 Cc1ccc(nc1)N AB17938 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.3 Cc1ccc(nc1)O AB13138 [2,0,0,0,0,0|1,0,0]=3 308 B8R1.3 Cc1ncc(cn1)O AB54467 [2,0,0,0,0,0|2,0,0]=4 309 B8R1.3 c1c(ncc(n1)O)O AB44015 [2,0,0,0,0,0|2,0,0]=4 310 B8R1.3 c1cc(ncc1Br)O AB05097 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.3 c1cc(ncc1I)O AB05112 [2,0,0,0,0,0|2,0,0]=4 312 B8R1.3 c1cc(ncc1N)O AB15078 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.3 c1cc(ncc1O)Br PB15771 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.3 c1cc(ncc1O)Cl PB32188 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.3 c1cc(ncc1O)F AB08123 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.3 c1cc(ncc1O)I AB50021 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.3 c1cc(ncc1O)N AB15563 [2,0,0,0,0,0|2,0,0]=4 318 B10R1.3 CCc1ccc(cc1)NN AB10141 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.3 CCc1ccc(nc1)CCl AB60001 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.3 CNc1ccc(nc1)OC AB60608 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.3 COc1ccc(cc1)C#N AB00162 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.3 COc1ccc(cc1)NN AB11940 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.3 COc1ccc(cn1)C#C PB23831 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.3 COc1ccc(cn1)C#N AB03173 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.3 COc1ccc(cn1)CCl AB59942 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.3 COc1ccc(cn1)CCl AB59945 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.3 COc1ccc(cn1)CN PB34107 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.3 COc1ccc(cn1)CO PB17339 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.3 COc1ccc(cn1)NN AB50207 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.3 COc1ccc(nc1)C#C AB68974 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.3 COc1ccc(nc1)C#N PB32629 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.3 COc1ccc(nc1)C=O PB17495 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.3 COc1ccc(nc1)CCl AB59864 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.3 COc1ccc(nc1)CCl PB31547 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.3 COc1ccc(nc1)CN AB59858 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.3 COc1ccc(nc1)CO PB32580 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.3 CSc1ccc(cc1)CCl AB05549 [1,1,0,0,0,0|1,1,0]=4 338 B10R1.3 CSc1ccc(cc1)CO AB00982 [1,1,0,0,0,0|0,1,0]=3 339 B10R1.3 c1cc(ccc1CN)CO AB23442 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.3 c1cc(ncc1CO)CN AB63417 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.3 c1cc(ncc1CO)CO AB14995 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.13 B(c1ccc(cc1)O)(O)O AB08076 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [1,1,0,0,0,0|0,0,1]=3 344 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.13 CC(C)c1ccc(cn1)Br MB11629 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.13 CC(C)c1ccc(cn1)N PB22166 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.13 CC(C)c1ccc(cn1)O MB08432 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.13 CC(C)c1ccc(nc1)Br MB10296 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.13 CC(C)c1ncc(cn1)O AB58598 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.13 CC(c1ccc(cn1)F)N PB27166 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.13 CC(c1ccc(nc1)Br)N AB67301 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.13 CC(c1ccc(nc1)Cl)N AB67348 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.13 CN(C)c1ccc(cn1)O MB24899 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.13 C[C@@H](c1ccc(nc1)Cl)N AB49730 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.13 C[C@H](c1ccc(nc1)Cl)N AB49726 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.13 Cc1ccc(cn1)C(C)N AB53828 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.13 c1cc(ncc1O)C(F)F AB74785 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.25 CCc1c(cc(cn1)Br)N PB11662 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.25 CCc1ccc(cc1Br)O MB23966 [1,1,0,0,0,0|0,0,0]=2 365 B10R1.25 CCc1ccc(cc1C)O MB23913 [1,1,0,0,0,0|0,0,0]=2 366 B10R1.25 CCc1ccc(cc1Cl)O MB23969 [1,1,0,0,0,0|0,0,0]=2 367 B10R1.25 CCc1ccc(cc1F)O MB14963 [1,1,0,0,0,0|0,0,0]=2 368 B10R1.25 CCc1ccc(cc1I)O MB23946 [1,1,0,0,0,0|0,0,0]=2 369 B10R1.25 CCc1ccc(cc1N)O MB23949 [1,1,0,0,0,0|0,0,0]=2 370 B10R1.25 CCc1ccc(cc1O)Br MB23992 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.25 CCc1ccc(cc1O)F MB23841 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.25 CCc1ccc(cc1O)I MB23846 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.25 CCc1ccc(cc1O)N MB23852 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.25 CCc1ccc(nc1N)C AB03677 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.25 CCn1ccc(cc1=O)Br PB38061 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.25 CCn1ccc(cc1=O)N PB23013 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.25 CNc1ccc(cc1F)O MB31256 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.25 CNc1ccc(cc1I)O MB37121 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.25 CNc1ccc(cc1N)O MB30558 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.25 CNc1ccc(cc1O)Cl MB25839 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.25 CNc1ccc(cc1O)N MB33015 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.25 COc1c(cc(cn1)Br)Cl AB20950 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.25 COc1c(cc(cn1)Br)F AB17621 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.25 COc1c(cc(cn1)Br)I AB21850 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.25 COc1c(cc(cn1)Br)N PB15873 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.25 COc1c(cc(cn1)Br)O PB15354 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.25 COc1c(cc(cn1)Cl)Br AB43095 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.25 COc1c(cc(cn1)Cl)F AB41066 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.25 COc1c(cc(cn1)Cl)N AB41036 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.25 COc1c(cc(cn1)F)N AB75363 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.25 COc1c(cc(cn1)N)Cl AB70284 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.25 COc1c(cc(cn1)N)F AB40818 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.25 COc1c(cc(cn1)O)Cl AB70289 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.25 COc1c(cc(cn1)O)F AB70291 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.25 COc1ccc(cc1Cl)Br AB03565 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.25 COc1ccc(cc1Cl)O MB13556 [1,1,0,0,0,0|0,0,0]=2 398 B10R1.25 COc1ccc(cc1F)Br AB01075 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.25 COc1ccc(cc1I)O MB26647 [1,1,0,0,0,0|0,0,0]=2 400 B10R1.25 COc1ccc(cc1N)O MB34521 [1,1,0,0,0,0|0,0,0]=2 401 B10R1.25 COc1ccc(cc1O)Cl MB09234 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.25 COc1ccc(cc1O)I MB38179 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.25 COc1ccc(nc1Br)N AB26774 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.25 COc1ccc(nc1Cl)N AB40624 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.25 COc1cnc(cc1Cl)N PB15356 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.25 COc1cnc(cc1O)Cl AB69306 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.25 CSc1ccc(cc1Br)O MB25524 [1,1,0,0,0,0|0,1,0]=3 408 B10R1.25 CSc1ccc(cc1Cl)O MB38487 [1,1,0,0,0,0|0,1,0]=3 409 B10R1.25 CSc1ccc(cc1F)O MB25544 [1,1,0,0,0,0|0,1,0]=3 410 B10R1.25 CSc1ccc(cc1N)O MB34593 [1,1,0,0,0,0|0,1,0]=3 411 B10R1.25 CSc1ccc(cc1O)Br MB35434 [1,1,0,0,0,0|1,1,0]=4 412 B10R1.25 CSc1ccc(cc1O)F MB25440 [1,1,0,0,0,0|1,1,0]=4 413 B10R1.25 CSc1ccc(cc1O)I MB29501 [1,1,0,0,0,0|1,1,0]=4 414 B10R1.25 CSc1ccc(cc1O)N MB36502 [1,1,0,0,0,0|1,1,0]=4 415 B10R1.25 Cc1c(ccc(n1)Cl)OC AB63867 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.25 Cc1c(ccc(n1)N)OC AB53570 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.25 Cc1c(ccc(n1)O)OC AB63862 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.25 Cc1cc(c(nc1)OC)N AB66728 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.25 Cc1cc(ccc1C#N)O MB23389 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.25 Cc1cc(ccc1NC)O MB05083 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.25 Cc1cc(ccc1OC)O MB07842 [1,1,0,0,0,0|0,0,0]=2 422 B10R1.25 Cc1cc(cnc1OC)Br AB41223 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.25 Cc1cc(cnc1OC)Cl AB75754 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.25 Cc1cc(cnc1OC)N AB20996 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.25 Cc1ccc(c(c1)O)NC MB33283 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [1,1,0,0,0,0|1,1,0]=4 428 B10R1.25 Cc1ccc(c(n1)Br)OC AB25427 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.25 c1cc(c(cc1Br)N)CO AB42495 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.25 c1cc(c(cc1Br)O)CN MB08429 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.25 c1cc(c(cc1Cl)Br)CO MB06939 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.25 c1cc(c(cc1Cl)O)CN MB26819 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.25 c1cc(c(cc1F)Br)CO AB06857 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.25 c1cc(c(cc1F)N)CN AB50268 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.25 c1cc(c(cc1F)O)CN MB14866 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.25 c1cc(c(cc1I)O)CN MB10252 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.25 c1cc(c(cc1N)F)CBr AB56061 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.25 c1cc(c(cc1N)F)CN AB50282 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.25 c1cc(c(cc1N)O)CN MB10253 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.25 c1cc(c(cc1O)Br)C#N MB14756 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.25 c1cc(c(cc1O)Br)C=O MB25584 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.25 c1cc(c(cc1O)Cl)CN MB02722 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.25 c1cc(c(cc1O)F)C#N AB04647 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.25 c1cc(c(cc1O)F)CN MB02723 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.25 c1cc(c(cc1O)I)C#N MB14759 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.25 c1cc(c(cc1O)I)C=O MB25658 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.25 c1cc(c(cc1O)N)C#N MB14762 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.25 c1cc(c(cc1O)N)C=O MB38477 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.25 c1cc(c(cc1O)N)CN MB29325 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [1,1,0,0,0,0|0,0,0]=2 451 B10R1.176 CCc1ccc(c(c1)Cl)O MB23911 [1,1,0,0,0,0|0,0,0]=2 452 B10R1.176 CCc1ccc(c(c1)F)O MB23895 [1,1,0,0,0,0|0,0,0]=2 453 B10R1.176 CCc1ccc(c(c1)I)O MB23898 [1,1,0,0,0,0|0,0,0]=2 454 B10R1.176 CCc1ccc(c(c1)N)O MB00456 [1,1,0,0,0,0|0,0,0]=2 455 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.176 CNc1ccc(c(c1)Br)O MB30977 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.176 CNc1ccc(c(c1)Cl)O MB15061 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.176 CNc1ccc(c(c1)F)O MB33460 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.176 CNc1ccc(c(c1)I)O MB28237 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.176 CNc1ccc(c(c1)N)O MB27818 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.176 CNc1ccc(c(c1)O)Br MB32226 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.176 CNc1ccc(c(c1)O)Cl MB28131 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.176 CNc1ccc(c(c1)O)F MB37912 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.176 CNc1ccc(c(c1)O)I MB26459 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.176 CNc1ccc(c(c1)O)N MB25952 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.176 COc1cc(c(cn1)Br)N PB16472 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.176 COc1cc(c(cn1)Cl)I AB71228 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.176 COc1cc(c(cn1)Cl)N AB68191 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.176 COc1cc(c(cn1)Cl)O AB69300 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.176 COc1cc(c(cn1)F)N AB70895 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.176 COc1cc(c(cn1)F)O AB69312 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.176 COc1cc(c(cn1)N)Cl AB75726 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.176 COc1cc(c(cn1)N)N AB51235 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.176 COc1cc(c(cn1)O)Cl AB70292 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.176 COc1cc(c(nc1)Cl)N AB62900 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.176 COc1cc(c(nc1)Cl)O AB71170 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.176 COc1cc(c(nc1)N)Cl AB70867 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.176 COc1cc(c(nc1)O)Cl AB71174 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.176 COc1ccc(c(c1)Br)I CB11658 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.176 COc1ccc(c(c1)Br)N AB49251 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.176 COc1ccc(c(c1)Br)O AB10935 [1,1,0,0,0,0|0,0,0]=2 486 B10R1.176 COc1ccc(c(c1)F)N AB09440 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.176 COc1ccc(c(c1)I)N AB42374 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.176 COc1ccc(c(c1)I)O MB07821 [1,1,0,0,0,0|0,0,0]=2 489 B10R1.176 COc1ccc(c(c1)N)I AB45640 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.176 COc1ccc(c(c1)N)N AB02069 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.176 COc1ccc(c(c1)N)O AB25358 [1,1,0,0,0,0|0,0,0]=2 492 B10R1.176 COc1ccc(c(c1)O)Br MB02872 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.176 COc1ccc(c(c1)O)F MB25573 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.176 COc1ccc(c(c1)O)I MB12203 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.176 COc1ccc(c(n1)Br)N AB21737 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.176 COc1ccc(c(n1)Cl)N AB49773 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.176 COc1ccc(c(n1)Cl)O AB69288 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.176 COc1ccc(c(n1)N)Br AB43426 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.176 COc1ccc(c(n1)N)Cl AB62898 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.176 COc1ccc(c(n1)N)N AB25773 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.176 COc1ccc(c(n1)O)Cl AB75736 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.176 CSc1ccc(c(c1)Br)O MB09158 [1,1,0,0,0,0|0,1,0]=3 503 B10R1.176 CSc1ccc(c(c1)Cl)O MB31036 [1,1,0,0,0,0|0,1,0]=3 504 B10R1.176 CSc1ccc(c(c1)F)O MB25631 [1,1,0,0,0,0|0,1,0]=3 505 B10R1.176 CSc1ccc(c(c1)I)O MB38361 [1,1,0,0,0,0|0,1,0]=3 506 B10R1.176 CSc1ccc(c(c1)N)O MB34167 [1,1,0,0,0,0|0,1,0]=3 507 B10R1.176 CSc1ccc(c(c1)O)Cl MB33637 [1,1,0,0,0,0|1,1,0]=4 508 B10R1.176 CSc1ccc(c(c1)O)F MB25520 [1,1,0,0,0,0|1,1,0]=4 509 B10R1.176 CSc1ccc(c(c1)O)I MB38424 [1,1,0,0,0,0|1,1,0]=4 510 B10R1.176 Cc1c(cc(cn1)OC)N AB73554 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.176 Cc1c(ccc(n1)OC)Br AB13393 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.176 Cc1cc(ccc1Br)CO AB50387 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.176 Cc1cc(ccc1O)C#N MB10144 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.176 Cc1cc(ccc1O)CN MB05062 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.176 Cc1cc(ccc1O)NC MB07546 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.176 Cc1cc(cnc1Br)OC AB74660 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.176 Cc1cc(cnc1C)OC AB85300 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.176 Cc1cc(cnc1Cl)OC AB71233 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.176 Cc1cc(cnc1N)OC AB73557 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.176 Cc1cc(ncc1Br)OC AB17469 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.176 Cc1cc(ncc1N)OC AB44888 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.176 Cc1ccc(cc1O)NC MB25401 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.176 Cc1ccc(cc1O)OC MB11905 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.176 Cc1ccc(cc1O)SC MB25438 [1,1,0,0,0,0|1,1,0]=4 525 B10R1.176 Cc1ccc(nc1N)OC AB73563 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.176 Cc1cnc(cc1N)OC AB73589 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.176 c1c(cnc(c1Cl)O)CCl AB70975 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.176 c1c(cnc(c1Cl)O)CN AB84069 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.176 c1c(ncc(c1Cl)O)CCl AB84011 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.176 c1c(ncc(c1Cl)O)CN AB84014 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.176 c1cc(c(cc1C#N)I)O MB09222 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.176 c1cc(c(cc1C=O)I)O MB00259 [1,1,0,0,0,0|1,0,1]=4 533 B10R1.176 c1cc(c(cc1C=O)N)O MB13575 [1,1,0,0,0,0|1,0,1]=4 534 B10R1.176 c1cc(c(cc1CBr)I)F AB44169 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.176 c1cc(c(cc1CN)Br)O MB02719 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.176 c1cc(c(cc1CN)Cl)O MB03734 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.176 c1cc(c(cc1CN)F)N AB50278 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.176 c1cc(c(cc1CN)F)O MB03723 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.176 c1cc(c(cc1CN)I)O MB27028 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.176 c1cc(c(cc1CN)N)O MB37291 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.176 c1cc(c(cc1CN)O)Br MB27292 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.176 c1cc(c(cc1CN)O)Cl MB25545 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.176 c1cc(c(cc1CN)O)F MB35973 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.176 c1cc(c(cc1CN)O)I MB25685 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.176 c1cc(c(cc1CN)O)N MB29053 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.176 c1cc(c(cc1CO)F)Br AB44195 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.176 c1cc(c(nc1CCl)Cl)O AB76573 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.176 c1cc(c(nc1CN)Cl)O AB84096 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.4 CCOc1c(cccn1)Br AB05207 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.4 CCOc1c(cccn1)I AB05213 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.4 CCOc1ccncc1Br MB01009 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.10 CCCc1cccc(n1)N AB03673 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.10 CCCc1ccnc(c1)N AB03633 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.10 CCOc1cc(ccn1)Br AB05209 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.10 CCOc1cc(ccn1)N AB05301 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.10 CCOc1cc(cnc1)Br AB05134 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.10 CCOc1cc(ncn1)Br MB14207 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.10 CCOc1cc(ncn1)Cl AB16426 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.10 CCOc1cccc(n1)Br AB05279 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.10 CCOc1cccc(n1)N AB05302 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.10 CCOc1ccnc(c1)N AB09620 [1,1,0,0,0,0|1,0,0]=3 564 B10R1.10 CCOc1ccnc(n1)Br MB14088 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.10 CCOc1cncc(n1)Cl AB52638 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.10 CCOc1nccc(n1)Br AB54363 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.15 CCC(=O)c1ccccn1 AB01373 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.17 C#CCOc1cccnc1 AB61421 [1,1,0,0,0,0|1,0,1]=4 574 B10R1.17 C#CCOc1ccncc1 AB61423 [1,1,0,0,0,0|1,0,1]=4 575 B10R1.17 CNCCc1cccnc1 AB10676 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.17 CNCCc1ccncc1 AB02055 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.17 c1cc(cnc1)CCCN AB54556 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.17 c1ccc(cc1)CCC=O AB00823 [1,1,0,0,0,0|1,0,1]=4 579 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,1,0,0,0,0|1,0,0]=3 580 B10R1.17 c1ccnc(c1)CCCN AB30458 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.17 c1ccnc(c1)CCCO PB12987 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.17 c1ccnc(c1)OCCN AB03271 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.17 c1cnccc1CCCN AB43583 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.18 CC(C)Oc1ccccn1 AB63711 [1,1,0,0,0,0|1,0,0]=3 585 B10R1.18 CC(Cc1ccccn1)N AB12969 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.18 CC(Cc1cccnc1)N AB23775 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.18 CC(Cc1ccncc1)N AB28531 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [1,1,0,0,0,0|1,0,0]=3 590 B12R1.1 CNCCCc1ccc(cc1)Br AB38786 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.1 CNCCCc1ccc(cc1)Cl AB38779 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.1 CNCCCc1ccc(cc1)F AB38773 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.1 COCCOc1ccc(cc1)O AB19320 [0,2,0,0,0,0|0,0,0]=2 594 B12R1.1 Cc1ccc(cc1)CCCNC AB38761 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.1 c1cc(ccc1CCCCN)Cl AB54564 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.1 c1cc(ccc1CCCCN)F AB54561 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.1 c1cc(ccc1CCCCN)O AB07609 [0,2,0,0,0,0|1,0,0]=3 598 B12R1.16 CCNC(=O)c1ccc(cc1)O AB63728 [0,2,0,0,0,0|1,0,0]=3 599 B12R1.16 CCOC(=O)c1ccc(cn1)Br MB01029 [0,2,0,0,0,0|2,0,0]=4 600 B12R1.16 CCOC(=O)c1ccc(nc1)C PB19876 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.16 CCOC(=O)c1ccc(nc1)N AB21186 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.16 CCOS(=O)c1ccc(cc1)Cl AB45706 [0,2,0,0,0,0|1,0,0]=3 603 B12R1.16 c1cc(ccc1C(CCO)N)Br AB20223 [0,2,0,0,0,0|2,0,0]=4 604 B12R1.16 c1cc(ccc1C(CCO)N)Cl AB14423 [0,2,0,0,0,0|2,0,0]=4 605 B12R1.16 c1cc(ccc1C(CCO)N)F AB14430 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.21 CC(=O)COc1ccc(cc1)Br AB26100 [0,2,0,0,0,0|1,0,0]=3 607 B12R1.21 CC(=O)COc1ccc(cc1)Cl AB26096 [0,2,0,0,0,0|1,0,0]=3 608 B12R1.21 CC(=O)COc1ccc(cc1)F AB26104 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.21 CC(=O)COc1ccc(cc1)I AB26107 [0,2,0,0,0,0|1,0,0]=3 610 B12R1.21 CN(C)CCc1ccc(cc1)N AB18473 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.21 Cc1ccc(cc1)OCC(=O)C AB26110 [0,2,0,0,0,0|1,0,0]=3 612 B12R1.21 c1cc(ccc1CCC(=O)O)O AB00269 [0,2,0,0,0,0|1,0,1]=4 613 B12R1.21 c1cc(ccc1OCC(=N)N)F AB08309 [0,2,0,0,0,0|1,0,1]=4 614 B12R1.21 c1cc(ccc1OCC(=O)O)Cl AB00355 [0,2,0,0,0,0|1,0,1]=4 615 B12R1.49 CC(CN)Oc1ccc(cc1)Br AB38871 [0,2,0,0,0,0|1,0,0]=3 616 B12R1.49 CC(CN)Oc1ccc(cc1)Cl AB38863 [0,2,0,0,0,0|1,0,0]=3 617 B12R1.49 CC(CN)Oc1ccc(cc1)F AB12553 [0,2,0,0,0,0|1,0,0]=3 618 B12R1.49 Cc1ccc(cc1)OC(C)CN AB16399 [0,2,0,0,0,0|1,0,0]=3 619 B12R1.49 Cc1ccc(cn1)OC(C)CN AB38918 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O MB00396 [0,2,0,0,0,0|1,0,0]=3 621 B12R1.69 CCCOc1c(cc(cn1)Br)N AB40968 [0,2,0,0,0,0|2,0,0]=4 622 B12R1.69 CCCOc1c(cc(cn1)Cl)N AB41043 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.69 c1cc(c(cc1Cl)Cl)CCCN AB38717 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.69 c1cc(c(cc1F)F)CCCN AB38723 [0,2,0,0,0,0|2,0,0]=4 625 B12R1.69 c1cc(c(cc1N)N)OCCO MB00378 [0,2,0,0,0,0|1,0,0]=3 626 B12R1.71 CCc1ccc(cc1)CCCN AB38698 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.71 CNCCc1ccc(cc1)OC AB07595 [0,2,0,0,0,0|1,0,0]=3 628 B12R1.71 CNCCc1ccc(cn1)OC AB73196 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.71 COc1ccc(cc1)CCC=O AB06888 [0,2,0,0,0,0|1,0,1]=4 630 B12R1.71 COc1ccc(cc1)CCCN AB07604 [0,2,0,0,0,0|1,0,0]=3 631 B12R1.71 COc1ccc(cc1)CCCO AB00287 [0,2,0,0,0,0|1,0,0]=3 632 B12R1.71 COc1ccc(cn1)CCCN AB55109 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.71 c1cc(ccc1C=O)OCCCl AB01954 [0,2,0,0,0,0|0,0,1]=3 634 B12R1.385 c1c(cnc(c1Cl)O)CCCN AB84073 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.385 c1c(ncc(c1Cl)O)CCCN AB84017 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.385 c1cc(c(cc1CCCN)F)F AB38731 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.385 c1cc(c(nc1CCCN)Cl)O AB84099 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.4 CC(=O)Cc1ccc(cc1)OC AB00957 [0,2,0,0,0,0|1,0,1]=4 639 B12R1.4 CC(C)Oc1ccc(cc1)NN AB27890 [0,2,0,0,0,0|1,0,0]=3 640 B12R1.4 CC(Cc1ccc(cc1)OC)N MB01555 [0,2,0,0,0,0|1,0,0]=3 641 B12R1.4 C[C@@H](Cc1ccc(cc1)OC)N AB70588 [0,2,0,0,0,0|1,0,0]=3 642 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N AB51426 [0,2,0,0,0,0|1,0,0]=3 643 B12R1.19 CC(=O)Oc1ccc(c(c1)Cl)F MB07187 [0,2,0,0,0,0|1,0,1]=4 644 B12R1.19 CC(C)Oc1ccc(c(c1)Br)O MB23095 [0,2,0,0,0,0|0,0,0]=2 645 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)O MB23097 [0,2,0,0,0,0|0,0,0]=2 646 B12R1.19 CC(C)Oc1ccc(c(c1)F)N AB09448 [0,2,0,0,0,0|1,0,0]=3 647 B12R1.19 CC(C)Oc1ccc(c(c1)F)O MB23076 [0,2,0,0,0,0|0,0,0]=2 648 B12R1.19 CC(C)Oc1ccc(c(c1)I)O MB23080 [0,2,0,0,0,0|0,0,0]=2 649 B12R1.19 CC(C)Oc1ccc(c(c1)N)O MB23087 [0,2,0,0,0,0|0,0,0]=2 650 B12R1.19 CC(C)Oc1ccc(c(c1)O)Br MB23146 [0,2,0,0,0,0|1,0,0]=3 651 B12R1.19 CC(C)Oc1ccc(c(c1)O)Cl MB23153 [0,2,0,0,0,0|1,0,0]=3 652 B12R1.19 CC(C)Oc1ccc(c(c1)O)F MB23035 [0,2,0,0,0,0|1,0,0]=3 653 B12R1.19 CC(C)Oc1ccc(c(c1)O)I MB23037 [0,2,0,0,0,0|1,0,0]=3 654 B12R1.19 CC(C)Oc1ccc(c(c1)O)N MB23047 [0,2,0,0,0,0|1,0,0]=3 655 B12R1.19 Cc1cc(ccc1O)OC(C)C MB23056 [0,2,0,0,0,0|0,0,0]=2 656 B12R1.19 Cc1ccc(cc1O)OC(C)C MB23001 [0,2,0,0,0,0|1,0,0]=3 657 B12R1.20 CN(C)C(=O)c1ccc(cc1)O MB01715 [0,2,0,0,0,0|2,0,0]=4 658 B12R1.20 C[C@H]([C@H](c1ccc(cc1)O)O)N MB00597 [0,2,0,0,0,0|1,0,0]=3 659 B12R1.106 CC(C)(C)Cc1ccc(cc1)O AB16670 [0,2,0,0,0,0|1,0,0]=3 660 B12R1.106 CC(C)(C)Oc1ccc(cn1)Br MB06466 [0,2,0,0,0,0|2,0,0]=4 661 B12R1.106 CC(C)(C)Oc1ccc(cn1)O MB25551 [0,2,0,0,0,0|1,0,0]=3 662 B12R1.106 CC(C)(C)Oc1ccc(nc1)Br MB09482 [0,2,0,0,0,0|2,0,0]=4 663 B12R1.106 CC(C)(C)Oc1ccc(nc1)Cl MB20018 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.106 CC(C)(Cc1ccc(cc1)Br)N AB64460 [0,2,0,0,0,0|2,0,0]=4 665 B12R1.106 CC(C)(Cc1ccc(cc1)Cl)N AB02276 [0,2,0,0,0,0|2,0,0]=4 666 B12R1.106 CC(C)(Cc1ccc(cc1)F)N AB03122 [0,2,0,0,0,0|2,0,0]=4 667 B12R1.106 CC(C)(Cc1ccc(cc1)I)N AB68848 [0,2,0,0,0,0|2,0,0]=4 668 B12R1.106 CC(C)(Cc1ccc(cc1)N)N AB68843 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.106 CC(C)(Cc1ccc(cc1)O)N AB07591 [0,2,0,0,0,0|1,0,0]=3 670 B12R1.106 CS(=O)(=O)Nc1ccc(cc1)O MB01417 [0,2,0,0,0,0|2,0,0]=4 671 B12R1.106 Cc1ccc(cc1)CC(C)(C)N AB54574 [0,2,0,0,0,0|2,0,0]=4 672 B12R1.106 c1cc(ccc1CC(F)(F)F)O AB60686 [0,2,0,0,0,0|2,0,0]=4 673 B12R1.233 CC(C)Oc1c(cc(cn1)Br)I AB31061 [0,2,0,0,0,0|2,0,0]=4 674 B12R1.233 CC(C)Oc1ccc(cc1Br)O MB23132 [0,2,0,0,0,0|0,0,0]=2 675 B12R1.233 CC(C)Oc1ccc(cc1Cl)O MB13560 [0,2,0,0,0,0|0,0,0]=2 676 B12R1.233 CC(C)Oc1ccc(cc1F)O MB23119 [0,2,0,0,0,0|0,0,0]=2 677 B12R1.233 CC(C)Oc1ccc(cc1I)O MB23120 [0,2,0,0,0,0|0,0,0]=2 678 B12R1.233 CC(C)Oc1ccc(cc1N)O MB23121 [0,2,0,0,0,0|0,0,0]=2 679 B12R1.233 CC(C)Oc1ccc(cc1O)Br MB23150 [0,2,0,0,0,0|1,0,0]=3 680 B12R1.233 CC(C)Oc1ccc(cc1O)Cl MB13550 [0,2,0,0,0,0|1,0,0]=3 681 B12R1.233 CC(C)Oc1ccc(cc1O)F MB14580 [0,2,0,0,0,0|1,0,0]=3 682 B12R1.233 CC(C)Oc1ccc(cc1O)I MB23040 [0,2,0,0,0,0|1,0,0]=3 683 B12R1.233 CC(C)Oc1ccc(cc1O)N MB23049 [0,2,0,0,0,0|1,0,0]=3 684 B12R1.233 Cc1cc(ccc1OC(C)C)O MB13553 [0,2,0,0,0,0|0,0,0]=2 685 B12R1.233 Cc1ccc(c(c1)O)OC(C)C MB13554 [0,2,0,0,0,0|1,0,0]=3 686 B12R1.5 COc1ccc(cc1)C(=N)OC AB04684 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.5 C[C@H](CN)c1ccc(cc1)OC AB85099 [0,2,0,0,0,0|2,0,0]=4 688 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O MB09386 [0,2,0,0,0,0|2,0,0]=4 689 B12R1.367 CNC(=O)c1ccc(c(c1)F)O MB25391 [0,2,0,0,0,0|2,0,0]=4 690 B12R1.367 CNC(=O)c1ccc(c(c1)I)O MB25392 [0,2,0,0,0,0|2,0,0]=4 691 B12R1.367 CNC(=O)c1ccc(c(c1)N)O MB35206 [0,2,0,0,0,0|2,0,0]=4 692 B12R1.367 Cc1cc(ccc1O)C(=O)NC MB25368 [0,2,0,0,0,0|2,0,0]=4 693 B12R1.1703 CCC(=O)c1ccc(cc1F)Br MB09679 [0,2,0,0,0,0|2,0,0]=4 694 B12R1.1703 CNC(=O)c1ccc(cc1Br)O MB30771 [0,2,0,0,0,0|2,0,0]=4 695 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O MB37760 [0,2,0,0,0,0|2,0,0]=4 696 B12R1.1703 CNC(=O)c1ccc(cc1F)O MB34809 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.1703 CNC(=O)c1ccc(cc1I)O MB34084 [0,2,0,0,0,0|2,0,0]=4 698 B12R1.1703 CNC(=O)c1ccc(cc1N)O MB30252 [0,2,0,0,0,0|2,0,0]=4 699 B12R1.1703 c1cc(c(cc1O)O)C(=O)CBr AB16102 [0,2,0,0,0,0|2,0,0]=4 700 B12R1.114 CCOc1c(cc(cn1)C=O)F AB40831 [0,2,0,0,0,0|1,0,1]=4 701 B12R1.113 B(c1ccc(cc1)CCC)(O)O AB07462 [0,2,0,0,0,0|1,0,0]=3 702 B12R1.113 B(c1ccc(cc1)COC)(O)O AB16006 [0,2,0,0,0,0|2,0,0]=4 703 B12R1.113 B(c1ccc(cc1)OCC)(O)O AB06924 [0,2,0,0,0,0|0,0,0]=2 704 B12R1.113 B(c1ccc(cc1)SCC)(O)O AB08647 [0,2,0,0,0,0|0,1,0]=3 705 B12R1.113 B(c1ccc(nc1)OCC)(O)O AB23096 [0,2,0,0,0,0|1,0,0]=3 706 B12R1.113 B(c1cnc(cn1)OCC)(O)O AB50885 [0,2,0,0,0,0|2,0,0]=4 707 B12R1.113 B(c1cnc(nc1)OCC)(O)O AB41252 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.113 CCOc1ccc(cn1)[N+](=O)[O-] AB09600 [0,2,0,0,0,0|1,0,1]=4 709 B12R1.116 CCOc1ccc(cn1)N=C=O AB74224 [0,2,0,0,0,0|1,0,1]=4 710 B12R1.288 CNCc1ccc(c(c1)Cl)OC AB55520 [0,2,0,0,0,0|2,0,0]=4 711 B10R1.2 CCc1cccc(c1Br)O MB24080 [0,0,1,1,0,0|2,0,0]=4 712 B10R1.2 CCc1cccc(c1C)O MB24030 [0,0,1,1,0,0|1,0,1]=4 713 B10R1.2 CCc1cccc(c1Cl)O MB24081 [0,0,1,1,0,0|2,0,0]=4 714 B10R1.2 CCc1cccc(c1F)O MB24054 [0,0,1,1,0,0|2,0,0]=4 715 B10R1.2 CCc1cccc(c1I)O MB24055 [0,0,1,1,0,0|2,0,0]=4 716 B10R1.2 CCc1cccc(c1N)O MB24059 [0,0,1,1,0,0|2,0,0]=4 717 B10R1.30 CCc1cc(ccc1Br)O MB23770 [0,0,1,1,0,0|2,0,0]=4 718 B10R1.30 CCc1cc(ccc1C)O MB23722 [0,0,1,1,0,0|1,0,1]=4 719 B10R1.30 CCc1cc(ccc1F)O MB23754 [0,0,1,1,0,0|2,0,0]=4 720 B10R1.30 CCc1cc(ccc1I)O MB09270 [0,0,1,1,0,0|2,0,0]=4 721 B10R1.30 CCc1cc(ccc1N)O MB23757 [0,0,1,1,0,0|2,0,0]=4 722 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [1,0,0,1,0,0|2,0,0]=4 723 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [1,0,0,1,0,0|2,0,0]=4 724 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [1,0,0,1,0,0|2,0,0]=4 725 B12R2.24 Cc1ccc2c(c1)CCNC2 AB28729 [0,1,0,1,0,0|2,0,0]=4 726 B12R2.24 Cc1ccc2c(c1)CNCC2 AB12958 [0,1,0,1,0,0|2,0,0]=4 727 B12R2.24 Cc1ccc2c(c1)NCCC2 MB04674 [0,1,0,1,0,0|2,0,0]=4 728 B12R2.24 Cc1ccc2c(c1)NCCO2 AB10553 [0,1,0,1,0,0|1,0,0]=3 729 B12R2.24 Cc1ccc2c(n1)NCCO2 AB29049 [0,1,0,1,0,0|2,0,0]=4 730 B12R2.24 c1c(cnc2c1CCCO2)Br AB71711 [0,1,0,1,0,0|2,0,0]=4 731 B12R2.24 c1c(cnc2c1CNCC2)O AB44464 [0,1,0,1,0,0|2,0,0]=4 732 B12R2.24 c1c(cnc2c1NCCO2)Br AB70687 [0,1,0,1,0,0|2,0,0]=4 733 B12R2.24 c1c(cnc2c1NCCO2)Cl AB72676 [0,1,0,1,0,0|2,0,0]=4 734 B12R2.24 c1c(cnc2c1OCCO2)Br AB70711 [0,1,0,1,0,0|2,0,0]=4 735 B12R2.24 c1cc(nc2c1CCCC2)O AB62868 [0,1,0,1,0,0|2,0,0]=4 736 B12R2.24 c1cc(nc2c1COCC2)Cl AB73482 [0,1,0,1,0,0|2,0,0]=4 737 B12R2.24 c1cc(nc2c1COCC2)N AB73486 [0,1,0,1,0,0|2,0,0]=4 738 B12R2.24 c1cc(nc2c1OCCN2)Cl AB72713 [0,1,0,1,0,0|2,0,0]=4 739 B12R2.24 c1cc2c(cc1Br)C=CCO2 AB56471 [0,1,0,1,0,0|1,0,1]=4 740 B12R2.24 c1cc2c(cc1Br)CCCN2 PB12808 [0,1,0,1,0,0|2,0,0]=4 741 B12R2.24 c1cc2c(cc1Br)CCCO2 MB08745 [0,1,0,1,0,0|1,0,0]=3 742 B12R2.24 c1cc2c(cc1Br)CCNC2 MB05621 [0,1,0,1,0,0|2,0,0]=4 743 B12R2.24 c1cc2c(cc1Br)CCNC2 PB30910 [0,1,0,1,0,0|2,0,0]=4 744 B12R2.24 c1cc2c(cc1Br)CCOC2 MB09745 [0,1,0,1,0,0|1,0,0]=3 745 B12R2.24 c1cc2c(cc1Br)CNCC2 PB18756 [0,1,0,1,0,0|2,0,0]=4 746 B12R2.24 c1cc2c(cc1Br)NCCC2 PB12525 [0,1,0,1,0,0|2,0,0]=4 747 B12R2.24 c1cc2c(cc1Br)NCCO2 AB45777 [0,1,0,1,0,0|1,0,0]=3 748 B12R2.24 c1cc2c(cc1Br)OCCN2 AB49667 [0,1,0,1,0,0|2,0,0]=4 749 B12R2.24 c1cc2c(cc1Br)OCCO2 AB01820 [0,1,0,1,0,0|1,0,0]=3 750 B12R2.24 c1cc2c(cc1Cl)CCCN2 MB06841 [0,1,0,1,0,0|2,0,0]=4 751 B12R2.24 c1cc2c(cc1Cl)CCNC2 AB28730 [0,1,0,1,0,0|2,0,0]=4 752 B12R2.24 c1cc2c(cc1Cl)CNCC2 AB22480 [0,1,0,1,0,0|2,0,0]=4 753 B12R2.24 c1cc2c(cc1Cl)NCCC2 MB06330 [0,1,0,1,0,0|2,0,0]=4 754 B12R2.24 c1cc2c(cc1Cl)NCCO2 AB45772 [0,1,0,1,0,0|1,0,0]=3 755 B12R2.24 c1cc2c(cc1Cl)OCCN2 AB30914 [0,1,0,1,0,0|2,0,0]=4 756 B12R2.24 c1cc2c(cc1F)CCCN2 MB06900 [0,1,0,1,0,0|2,0,0]=4 757 B12R2.24 c1cc2c(cc1F)CCCO2 AB43944 [0,1,0,1,0,0|1,0,0]=3 758 B12R2.24 c1cc2c(cc1F)CCNC2 AB28734 [0,1,0,1,0,0|2,0,0]=4 759 B12R2.24 c1cc2c(cc1F)CCOC2 MB09734 [0,1,0,1,0,0|1,0,0]=3 760 B12R2.24 c1cc2c(cc1F)CNCC2 AB13380 [0,1,0,1,0,0|2,0,0]=4 761 B12R2.24 c1cc2c(cc1F)NCCO2 AB45774 [0,1,0,1,0,0|1,0,0]=3 762 B12R2.24 c1cc2c(cc1F)OCCN2 AB64780 [0,1,0,1,0,0|2,0,0]=4 763 B12R2.24 c1cc2c(cc1I)CCCN2 MB08861 [0,1,0,1,0,0|2,0,0]=4 764 B12R2.24 c1cc2c(cc1I)NCCO2 MB06366 [0,1,0,1,0,0|1,0,0]=3 765 B12R2.24 c1cc2c(cc1N)CCCN2 AB50011 [0,1,0,1,0,0|2,0,0]=4 766 B12R2.24 c1cc2c(cc1N)CCNC2 AB19115 [0,1,0,1,0,0|2,0,0]=4 767 B12R2.24 c1cc2c(cc1N)CCOC2 MB07027 [0,1,0,1,0,0|1,0,0]=3 768 B12R2.24 c1cc2c(cc1N)CNCC2 AB21317 [0,1,0,1,0,0|2,0,0]=4 769 B12R2.24 c1cc2c(cc1N)NCCO2 AB44324 [0,1,0,1,0,0|1,0,0]=3 770 B12R2.24 c1cc2c(cc1N)OCCN2 AB49277 [0,1,0,1,0,0|2,0,0]=4 771 B12R2.24 c1cc2c(cc1O)CCNC2 AB09835 [0,1,0,1,0,0|1,0,0]=3 772 B12R2.24 c1cc2c(cc1O)CNCC2 MB05747 [0,1,0,1,0,0|1,0,0]=3 773 B12R2.24 c1cc2c(cc1O)NCCO2 AB06521 [0,1,0,1,0,0|0,0,0]=2 774 B12R2.24 c1cc2c(cc1O)NCCO2 MB00965 [0,1,0,1,0,0|0,0,0]=2 775 B12R2.24 c1cc2c(cc1O)OCCN2 MB09266 [0,1,0,1,0,0|1,0,0]=3 776 B12R2.79 Cc1ccc(cc1)[C@@H]2C[C@H]2N MB69375 [0,1,0,1,0,0|2,0,0]=4 777 B12R2.79 c1cc(ccc1[C@@H]2C[C@H]2N)F MB69383 [0,1,0,1,0,0|2,0,0]=4 778 B12R2.132 CC1=c2cc(ccc2=NC1)Br AB17162 [0,1,0,1,0,0|2,0,0]=4 779 B12R2.132 CN1CCc2c1cc(cc2)N AB55966 [0,1,0,1,0,0|2,0,0]=4 780 B12R2.132 Cc1c2cc(ccc2on1)Br MB06428 [0,1,0,1,0,0|1,0,1]=4 781 B12R2.132 Cc1ccc2c(c1)C(CC2)N AB38275 [0,1,0,1,0,0|2,0,0]=4 782 B12R2.132 Cc1ccc2c(c1)[C@@H](CC2)N AB29147 [0,1,0,1,0,0|2,0,0]=4 783 B12R2.132 Cc1ccc2c(c1)[C@H](CC2)N AB29143 [0,1,0,1,0,0|2,0,0]=4 784 B12R2.132 Cc1coc2c1cc(cc2)Br MB07839 [0,1,0,1,0,0|1,0,1]=4 785 B12R2.132 Cn1c2cc(ccc2cn1)O MB01167 [0,1,0,1,0,0|2,0,0]=4 786 B12R2.132 c1cc2c(cc1Br)C(CC2)N AB38388 [0,1,0,1,0,0|2,0,0]=4 787 B12R2.132 c1cc2c(cc1Br)C(CO2)N AB27755 [0,1,0,1,0,0|1,0,0]=3 788 B12R2.132 c1cc2c(cc1Br)[C@@H](CC2)N PB13067 [0,1,0,1,0,0|2,0,0]=4 789 B12R2.132 c1cc2c(cc1Br)[C@H](CC2)N PB13072 [0,1,0,1,0,0|2,0,0]=4 790 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AB03274 [0,1,0,1,0,0|1,0,1]=4 791 B12R2.132 c1cc2c(cc1Cl)C(CC2)N AB38353 [0,1,0,1,0,0|2,0,0]=4 792 B12R2.132 c1cc2c(cc1Cl)C(CO2)N AB27750 [0,1,0,1,0,0|1,0,0]=3 793 B12R2.132 c1cc2c(cc1Cl)[C@@H](CC2)N AB38355 [0,1,0,1,0,0|2,0,0]=4 794 B12R2.132 c1cc2c(cc1Cl)[C@H](CC2)N AB38357 [0,1,0,1,0,0|2,0,0]=4 795 B12R2.132 c1cc2c(cc1F)C(CC2)N AB38286 [0,1,0,1,0,0|2,0,0]=4 796 B12R2.132 c1cc2c(cc1F)C(CO2)N AB27751 [0,1,0,1,0,0|1,0,0]=3 797 B12R2.132 c1cc2c(cc1F)[C@@H](CC2)N AB07709 [0,1,0,1,0,0|2,0,0]=4 798 B12R2.132 c1cc2c(cc1F)[C@H](CC2)N AB38290 [0,1,0,1,0,0|2,0,0]=4 799 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N PB30817 [0,1,0,1,0,0|1,0,0]=3 800 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N PB32707 [0,1,0,1,0,0|1,0,0]=3 801 B12R2.294 Cc1ccc(cc1)OC2CC2 MB35889 [0,1,0,1,0,0|1,0,0]=3 802 B12R2.294 Cc1ccc(cn1)OC2CC2 MB34620 [0,1,0,1,0,0|2,0,0]=4 803 B12R2.294 c1cc(ccc1N)OC2CC2 MB11809 [0,1,0,1,0,0|1,0,0]=3 804 B12R2.294 c1cc(ccc1O)OC2CC2 MB20165 [0,1,0,1,0,0|0,0,0]=2 805 B12R2.294 c1cc(ccc1OC2CC2)Br MB06312 [0,1,0,1,0,0|1,0,0]=3 806 B12R2.294 c1cc(ccc1OC2CC2)Cl MB49590 [0,1,0,1,0,0|1,0,0]=3 807 B12R2.294 c1cc(ccc1OC2CC2)F MB37870 [0,1,0,1,0,0|1,0,0]=3 808 B12R2.294 c1cc(ccc1OC2CC2)I MB25540 [0,1,0,1,0,0|1,0,0]=3 809 B12R2.294 c1cc(ncc1Br)OC2CC2 MB19974 [0,1,0,1,0,0|2,0,0]=4 810 B12R2.294 c1cc(ncc1Cl)OC2CC2 MB19967 [0,1,0,1,0,0|2,0,0]=4 811 B12R2.294 c1cc(ncc1OC2CC2)Br MB14106 [0,1,0,1,0,0|2,0,0]=4 812 B12R2.294 c1cc(ncc1OC2CC2)Cl MB30047 [0,1,0,1,0,0|2,0,0]=4 813 B12R2.294 c1cc(ncc1OC2CC2)F MB37475 [0,1,0,1,0,0|2,0,0]=4 814 B12R2.294 c1cc(ncc1OC2CC2)I MB32565 [0,1,0,1,0,0|2,0,0]=4 815 B12R2.294 c1cc(ncc1OC2CC2)N MB50371 [0,1,0,1,0,0|2,0,0]=4 816 B12R2.606 Cc1cc2cc(ccc2o1)I AB08838 [0,1,0,1,0,0|1,0,1]=4 817 B12R2.606 c1cc2c(cc1Br)CC(C2)N AB22071 [0,1,0,1,0,0|2,0,0]=4 818 B12R2.606 c1cc2c(cc1Br)CC(C2)N AB55794 [0,1,0,1,0,0|2,0,0]=4 819 B12R2.606 c1cc2c(cc1Br)CC(C2)O AB66019 [0,1,0,1,0,0|2,0,0]=4 820 B12R2.606 c1cc2c(cc1Cl)CC(C2)N AB69974 [0,1,0,1,0,0|2,0,0]=4 821 B12R2.606 c1cc2c(cc1F)CC(C2)N AB43712 [0,1,0,1,0,0|2,0,0]=4 822 B12R2.290 Cc1ccc(cc1)C2(CC2)N AB32578 [0,1,0,1,0,0|2,0,0]=4 823 B12R2.290 c1cc(ccc1C2(CC2)N)Br AB39547 [0,1,0,1,0,0|2,0,0]=4 824 B12R2.290 c1cc(ccc1C2(CC2)N)Cl AB32576 [0,1,0,1,0,0|2,0,0]=4 825 B12R2.290 c1cc(ccc1C2(CC2)N)F AB39550 [0,1,0,1,0,0|2,0,0]=4 826 B12R2.612 CN1CCc2c1ccc(c2)N AB49440 [0,1,0,1,0,0|2,0,0]=4 827 B12R2.612 Cc1ccc2c(c1)CCC2N AB38267 [0,1,0,1,0,0|2,0,0]=4 828 B12R2.612 Cc1ccc2c(c1)CC[C@@H]2N AB38272 [0,1,0,1,0,0|2,0,0]=4 829 B12R2.612 Cc1ccc2c(c1)CC[C@H]2N AB38268 [0,1,0,1,0,0|2,0,0]=4 830 B12R2.612 c1cc2c(cc1Br)CCC2N AB38395 [0,1,0,1,0,0|2,0,0]=4 831 B12R2.612 c1cc2c(cc1Br)CCC2O AB30452 [0,1,0,1,0,0|2,0,0]=4 832 B12R2.612 c1cc2c(cc1Br)CC[C@@H]2N AB29101 [0,1,0,1,0,0|2,0,0]=4 833 B12R2.612 c1cc2c(cc1Br)CC[C@H]2N AB29099 [0,1,0,1,0,0|2,0,0]=4 834 B12R2.612 c1cc2c(cc1Cl)CCC2=O AB01874 [0,1,0,1,0,0|2,0,0]=4 835 B12R2.612 c1cc2c(cc1Cl)CCC2N AB38345 [0,1,0,1,0,0|2,0,0]=4 836 B12R2.612 c1cc2c(cc1Cl)CC[C@@H]2N AB38352 [0,1,0,1,0,0|2,0,0]=4 837 B12R2.612 c1cc2c(cc1Cl)CC[C@H]2N AB38349 [0,1,0,1,0,0|2,0,0]=4 838 B12R2.612 c1cc2c(cc1F)CCC2=O AB01853 [0,1,0,1,0,0|2,0,0]=4 839 B12R2.612 c1cc2c(cc1F)CCC2N AB38284 [0,1,0,1,0,0|2,0,0]=4 840 B12R2.612 c1cc2c(cc1F)CC[C@@H]2N AB29094 [0,1,0,1,0,0|2,0,0]=4 841 B12R2.612 c1cc2c(cc1F)CC[C@H]2N AB29097 [0,1,0,1,0,0|2,0,0]=4 842 B12R2.612 c1cc2c(cc1I)CCC2=O MB07544 [0,1,0,1,0,0|2,0,0]=4 843 B12R2.612 c1cc2c(cc1O)CC[C@H]2N AB43048 [0,1,0,1,0,0|1,0,0]=3 844 B12R2.612 c1cc2c(cc1O)CNC2=O AB56006 [0,1,0,1,0,0|2,0,0]=4 845 B12R2.246 c1c(cc(c2=CCN=c21)Br)O AB13574 [0,1,0,1,0,0|2,0,0]=4 846 B12R2.246 c1c(cc(c2c1CCO2)O)F AB43941 [0,1,0,1,0,0|1,0,0]=3 847 B12R2.246 c1coc2c1cc(cc2Br)O MB10400 [0,1,0,1,0,0|0,0,2]=4 848 B12R2.44 C#Cc1ccc2c(c1)OCO2 AB42394 [0,1,0,1,0,0|2,0,0]=4 849 B12R2.44 COc1cc2c(nc1)NCC2 AB26242 [0,1,0,1,0,0|2,0,0]=4 850 B12R2.44 COc1ccc2c(c1)CNC2 AB30381 [0,1,0,1,0,0|2,0,0]=4 851 B12R2.44 COc1ccc2c(c1)NCC2 AB32628 [0,1,0,1,0,0|2,0,0]=4 852 B12R2.44 COc1ccc2c(n1)CCN2 AB73735 [0,1,0,1,0,0|2,0,0]=4 853 B12R2.44 c1cc2c(cc1C#N)CCN2 MB04564 [0,1,0,1,0,0|2,0,0]=4 854 B12R2.44 c1cc2c(cc1C=O)CCO2 AB02770 [0,1,0,1,0,0|0,0,1]=3 855 B12R2.44 c1cc2c(cc1CCl)CCO2 MB07132 [0,1,0,1,0,0|1,0,0]=3 856 B12R2.44 c1cc2c(cc1CO)CNC2 MB09741 [0,1,0,1,0,0|2,0,0]=4 857 B12R2.44 c1cc2c(cco2)cc1CO MB03310 [0,1,0,1,0,0|0,0,2]=4 858 B12R2.82 c1cc(c(c2c1NCC2)Cl)F MB12065 [0,1,0,1,0,0|2,0,0]=4 859 B12R2.82 c1cc(c(c2c1NCC2)F)Cl MB69360 [0,1,0,1,0,0|2,0,0]=4 860 B12R2.82 c1cc(c(c2c1NCC2)F)F MB03180 [0,1,0,1,0,0|2,0,0]=4 861 B12R2.82 c1cc(c(c2c1NCC2)F)F MB69361 [0,1,0,1,0,0|2,0,0]=4 862 B12R2.100 c1c2=CCN=c2cc(c1O)Br PB28586 [0,1,0,1,0,0|1,0,1]=4 863 B12R2.100 c1c2=CCN=c2cc(c1O)Cl PB21381 [0,1,0,1,0,0|1,0,1]=4 864 B12R2.100 c1c2c(cc(c1Cl)F)NCC2 MB14985 [0,1,0,1,0,0|2,0,0]=4 865 B12R2.100 c1c2c(cc(c1F)Cl)NCC2 MB12062 [0,1,0,1,0,0|2,0,0]=4 866 B12R2.100 c1c2c(cc(c1F)F)NCC2 MB01679 [0,1,0,1,0,0|2,0,0]=4 867 B12R2.100 c1c2c(cc(c1O)Br)N=NC2 PB18177 [0,1,0,1,0,0|2,0,0]=4 868 B12R2.100 c1c2c(cc(c1O)Cl)N=NC2 PB37964 [0,1,0,1,0,0|2,0,0]=4