0 B11R1.83 C#CCc1ccc(cc1)C#N AB73218 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.83 C#CCc1ccc(cc1)C=O AB61406 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.83 CCCc1ccc(cc1)NN AB23596 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.83 CCCc1ccc(cn1)C#N AB28605 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.83 CCCc1cnc(nc1)CCl AB59425 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.83 CCCc1cnc(nc1)CN AB63221 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.83 CCOc1ccc(cn1)C#C AB68996 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.83 CCOc1ccc(cn1)CCl AB59947 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.83 CCOc1ccc(nc1)C=O AB73192 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.83 CNCc1ccc(cn1)C#N AB67719 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.83 CNCc1ccc(cn1)OC AB67556 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.83 CNCc1ccc(nc1)C#N AB67399 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.83 CNCc1ccc(nc1)OC AB67058 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.83 COc1ccc(cc1)CC#C AB61379 [0,0,0,0,0,0|0,0,2]=2 14 B11R1.83 COc1ccc(cc1)CC=O AB11810 [0,0,0,0,0,0|1,0,1]=2 15 B11R1.83 COc1ccc(cc1)CCO AB00284 [0,0,0,0,0,0|1,0,0]=1 16 B11R1.83 COc1ccc(cc1)CNN PB19937 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.83 COc1ccc(cc1)\C=C\Br AB06149 [0,0,0,0,0,0|1,0,2]=3 18 B11R1.83 COc1ccc(cn1)CC#C AB69167 [0,0,0,0,0,0|1,0,2]=3 19 B11R1.83 COc1ccc(cn1)CCBr AB72327 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.83 COc1ccc(cn1)CCN AB45430 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.83 COc1ccc(cn1)N=C=O AB74207 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.83 COc1ccc(nc1)CC#C AB73241 [0,0,0,0,0,0|1,0,2]=3 23 B11R1.83 COc1ccc(nc1)CC#N AB65289 [0,0,0,0,0,0|2,0,1]=3 24 B11R1.83 COc1ccc(nc1)CCBr AB73197 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.83 COc1ccc(nc1)CCN AB65488 [0,0,0,0,0,0|2,0,0]=2 26 B11R1.83 COc1cnc(cn1)CCBr AB69891 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.83 COc1cnc(cn1)CCN AB69885 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.83 COc1cnc(nc1)CCN AB59266 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.83 COc1ncc(cn1)CCN AB63247 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.83 CSc1ncc(cn1)CCN AB59369 [0,0,0,0,0,0|3,1,0]=4 31 B11R1.83 c1cc(ccc1CCN)CO AB30409 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.83 c1cc(ccc1CCO)C#N CB10174 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.83 c1cc(ncc1C#N)CCN AB67733 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.83 c1cc(ncc1CCN)C#N AB67410 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.1 C#CCc1ccc(cc1)Br AB61388 [1,0,0,0,0,0|1,0,2]=4 36 B10R1.1 C#CCc1ccc(cc1)Cl AB61380 [1,0,0,0,0,0|1,0,2]=4 37 B10R1.1 C#CCc1ccc(cc1)F AB61384 [1,0,0,0,0,0|1,0,2]=4 38 B10R1.1 C#CCc1ccc(cc1)I AB73225 [1,0,0,0,0,0|1,0,2]=4 39 B10R1.1 CCCc1ncc(cn1)Cl AB59170 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.1 CCNc1ccc(cn1)Br AB51199 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.1 CCOc1ccc(cn1)Br AB05210 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.1 CCOc1ccc(cn1)N AB09602 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.1 CNCc1ccc(cn1)Br AB49704 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.1 CNCc1ccc(cn1)Cl AB67610 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.1 CNCc1ccc(cn1)F AB67668 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.1 CNCc1ccc(cn1)N AB67748 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.1 CNCc1ccc(nc1)Br AB67269 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.1 CNCc1ccc(nc1)Cl AB52618 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [1,0,0,0,0,0|1,0,1]=3 50 B10R1.1 Cc1ccc(cc1)\C=C\Br AB73509 [1,0,0,0,0,0|1,0,2]=4 51 B10R1.1 Cc1ccc(cn1)CCN AB55173 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.1 Cc1ccc(cn1)CNC AB63786 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.1 Cc1ccc(nc1)CCN AB31467 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.1 Cc1ccc(nc1)CNC AB67504 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.1 Cc1cnc(cn1)CCN AB69468 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.1 Cc1cnc(nc1)CCN AB59260 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.1 Cc1ncc(cn1)CCN AB59372 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.1 c1cc(ccc1CC#N)F AB00175 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.1 c1cc(ccc1CC=O)F AB11805 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.1 c1cc(ccc1CC=O)N AB27688 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.1 c1cc(ccc1CCBr)N MB02970 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.1 c1cc(ccc1CCN)Br AB00934 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.1 c1cc(ccc1CCN)F AB03730 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.1 c1cc(ccc1CCN)N AB00936 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.1 c1cc(ccc1CCO)Br AB00280 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.1 c1cc(ccc1CNN)Br PB32548 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.1 c1cc(ccc1CNN)F PB20964 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.1 c1cc(ncc1Br)CCN PB20258 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.1 c1cc(ncc1Br)CCO PB14792 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.1 c1cc(ncc1CCN)Br AB45460 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.1 c1cc(ncc1CCN)N AB76809 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.1 c1cc(ncc1F)CCN AB45484 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.1 c1cc(ncc1N)CCN AB67762 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.1 c1cc(ncc1O)CCN AB67805 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.3 CCc1ccc(cc1)NN AB10141 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.3 CCc1ccc(nc1)CCl AB60001 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.3 CNc1ccc(nc1)OC AB60608 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.3 COc1ccc(cc1)C#N AB00162 [1,0,0,0,0,0|1,0,1]=3 87 B10R1.3 COc1ccc(cc1)NN AB11940 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.3 COc1ccc(cn1)C#C PB23831 [1,0,0,0,0,0|1,0,2]=4 89 B10R1.3 COc1ccc(cn1)C#N AB03173 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.3 COc1ccc(cn1)CCl AB59942 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.3 COc1ccc(cn1)CCl AB59945 [1,0,0,0,0,0|2,0,0]=3 92 B10R1.3 COc1ccc(cn1)CN PB34107 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.3 COc1ccc(cn1)CO PB17339 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.3 COc1ccc(cn1)NN AB50207 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.3 COc1ccc(nc1)C#C AB68974 [1,0,0,0,0,0|1,0,2]=4 96 B10R1.3 COc1ccc(nc1)C#N PB32629 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.3 COc1ccc(nc1)C=O PB17495 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.3 COc1ccc(nc1)CCl AB59864 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.3 COc1ccc(nc1)CCl PB31547 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.3 COc1ccc(nc1)CN AB59858 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.3 COc1ccc(nc1)CO PB32580 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.3 COc1ccc(nn1)CCl AB62549 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.3 COc1ccc(nn1)CN AB61133 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.3 COc1cnc(cn1)CCl AB69883 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.3 COc1cnc(cn1)CN AB69881 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.3 COc1ncc(cn1)CCl AB58903 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.3 COc1ncc(cn1)CN AB45827 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.3 CSc1ccc(cc1)CCl AB05549 [1,0,0,0,0,0|1,1,0]=3 109 B10R1.3 CSc1ccc(cc1)CO AB00982 [1,0,0,0,0,0|1,1,0]=3 110 B10R1.3 c1cc(ccc1CN)CO AB23442 [1,0,0,0,0,0|3,0,0]=4 111 B12R1.4 CC(=O)Cc1ccc(cc1)OC AB00957 [0,1,0,0,0,0|0,0,1]=2 112 B12R1.4 CC(C)Oc1ccc(cc1)NN AB27890 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.4 CC(Cc1ccc(cc1)OC)N MB01555 [0,1,0,0,0,0|0,0,0]=1 114 B12R1.4 COc1ccc(cc1)CC(=N)N AB09931 [0,1,0,0,0,0|1,0,1]=3 115 B12R1.4 COc1ccc(cn1)CC(=O)O AB55204 [0,1,0,0,0,0|2,0,1]=4 116 B12R1.4 C[C@@H](Cc1ccc(cc1)OC)N AB70588 [0,1,0,0,0,0|0,0,0]=1 117 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N AB51426 [0,1,0,0,0,0|0,0,0]=1 118 B12R1.5 COc1ccc(cc1)C(=N)OC AB04684 [0,1,0,0,0,0|1,0,1]=3 119 B12R1.5 COc1ccc(cc1)C(=O)C#N MB03942 [0,1,0,0,0,0|1,0,2]=4 120 B12R1.5 COc1ccc(cc1)C(=O)C=O AB05250 [0,1,0,0,0,0|1,0,2]=4 121 B12R1.5 COc1ccc(cc1)C(=O)C=O AB05286 [0,1,0,0,0,0|1,0,2]=4 122 B12R1.5 COc1ccc(cn1)C(=O)OC PB33918 [0,1,0,0,0,0|2,0,1]=4 123 B12R1.5 COc1ccc(nc1)C(=O)OC PB10973 [0,1,0,0,0,0|2,0,1]=4 124 B12R1.5 C[C@H](CN)c1ccc(cc1)OC AB85099 [0,1,0,0,0,0|1,0,0]=2 125 B12R1.71 CCc1ccc(cc1)CCCN AB38698 [0,1,0,0,0,0|1,0,0]=2 126 B12R1.71 CNCCc1ccc(cc1)OC AB07595 [0,1,0,0,0,0|0,0,0]=1 127 B12R1.71 CNCCc1ccc(cn1)OC AB73196 [0,1,0,0,0,0|1,0,0]=2 128 B12R1.71 COc1ccc(cc1)CCC=O AB06888 [0,1,0,0,0,0|0,0,1]=2 129 B12R1.71 COc1ccc(cc1)CCCN AB07604 [0,1,0,0,0,0|0,0,0]=1 130 B12R1.71 COc1ccc(cc1)CCCO AB00287 [0,1,0,0,0,0|0,0,0]=1 131 B12R1.71 COc1ccc(cn1)CCCN AB55109 [0,1,0,0,0,0|1,0,0]=2 132 B12R1.71 c1cc(ccc1C=O)OCCCl AB01954 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.71 c1cc(ncc1CCCN)C#N AB67424 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.113 B(c1ccc(cc1)CCC)(O)O AB07462 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.113 B(c1ccc(cc1)COC)(O)O AB16006 [0,1,0,0,0,0|3,0,0]=4 136 B12R1.113 B(c1ccc(cc1)OCC)(O)O AB06924 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.113 B(c1ccc(cc1)SCC)(O)O AB08647 [0,1,0,0,0,0|3,0,0]=4 138 B12R1.113 CC(=O)c1ccc(cc1)CC#C AB73223 [0,1,0,0,0,0|1,0,2]=4 139 B12R1.113 CN(C)c1ccc(cc1)CC=O AB48491 [0,1,0,0,0,0|2,0,1]=4 140 B12R1.116 CCCc1cnc(nc1)CCN AB63295 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.288 CNCc1ccc(c(c1)Cl)OC AB55520 [0,1,0,0,0,0|1,0,0]=2 142 B12R1.288 COc1c(cc(cn1)CCN)F AB76978 [0,1,0,0,0,0|2,0,0]=3 143 B12R2.9 c1cc(ncc1C2CC2)C#N MB13536 [0,0,0,1,0,0|3,0,0]=4 144 B12R2.9 c1cc(ncc1C=O)C2CC2 AB71851 [0,0,0,1,0,0|3,0,0]=4 145 B12R2.9 c1cc(ncc1CCl)C2CC2 AB74687 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.9 c1cc(ncc1CN)C2CC2 AB74684 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.44 COc1cc2c(nc1)CNC2 AB74658 [0,0,0,1,0,0|2,0,0]=3 148 B12R2.44 COc1cc2c(nc1)NCC2 AB26242 [0,0,0,1,0,0|2,0,0]=3 149 B12R2.44 COc1ccc2c(c1)CNC2 AB30381 [0,0,0,1,0,0|1,0,0]=2 150 B12R2.44 COc1ccc2c(c1)N=CC2 AB01327 [0,0,0,1,0,0|1,0,1]=3 151 B12R2.44 COc1ccc2c(c1)N=NC2 PB23628 [0,0,0,1,0,0|2,0,0]=3 152 B12R2.44 COc1ccc2c(c1)NCC2 AB32628 [0,0,0,1,0,0|1,0,0]=2 153 B12R2.44 COc1ccc2c(c1)scn2 AB10586 [0,0,0,1,0,0|2,0,1]=4 154 B12R2.44 COc1ccc2c(n1)CCN2 AB73735 [0,0,0,1,0,0|2,0,0]=3 155 B12R2.44 COc1ccc2c(n1)CNC2 AB74755 [0,0,0,1,0,0|2,0,0]=3 156 B12R2.44 COc1ccc2c(n1)N=CC2 PB18740 [0,0,0,1,0,0|2,0,1]=4 157 B12R2.44 COc1ccc2c(n1)N=NC2 AB73772 [0,0,0,1,0,0|3,0,0]=4 158 B12R2.44 COc1ncc2c(n1)CNC2 AB70467 [0,0,0,1,0,0|3,0,0]=4 159 B12R2.44 c1cc2c(cc1C#N)CCN2 MB04564 [0,0,0,1,0,0|3,0,0]=4 160 B12R2.44 c1cc2c(cc1C#N)CNC2 MB05811 [0,0,0,1,0,0|3,0,0]=4 161 B12R2.44 c1cc2c(cc1C=O)CCO2 AB02770 [0,0,0,1,0,0|3,0,0]=4 162 B12R2.44 c1cc2c(cc1CCl)CCO2 MB07132 [0,0,0,1,0,0|3,0,0]=4 163 B12R2.44 c1cc2c(cc1CO)CNC2 MB09741 [0,0,0,1,0,0|3,0,0]=4 164 B9R1.1 CCc1ccc(cn1)N AB63590 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.1 CCc1ccc(cn1)O MB03842 [2,0,0,0,0,0|1,0,0]=3 166 B9R1.1 CCc1ccc(nc1)Br MB10294 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.1 CNc1ccc(cn1)O AB69733 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.1 COc1cc[n+](cc1)[O-] AB00619 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.1 COc1ccc(cn1)Br AB08771 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.1 COc1ccc(cn1)Cl AB23682 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.1 COc1ccc(cn1)F AB13611 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.1 COc1ccc(cn1)N PB27370 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.1 COc1ccc(cn1)O CB10969 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.1 COc1ccc(nc1)Br PB22062 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.1 COc1ccc(nc1)Cl AB25956 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.1 COc1ccc(nc1)F AB66773 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.1 COc1ccc(nc1)I AB11726 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.1 COc1ccc(nc1)N PB14487 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.1 CSc1ccc(cn1)O MB25590 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.1 Cc1ccc(cn1)CCl AB59938 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.1 Cc1ccc(cn1)CN PB20145 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.1 Cc1ccc(cn1)OC AB52739 [2,0,0,0,0,0|1,0,0]=3 183 B9R1.1 Cc1ccc(nc1)CCl AB59994 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.1 Cc1ccc(nc1)CN AB48926 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.1 Cc1ccc(nn1)OC AB51434 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.1 c1cc(ccc1CBr)Br AB00113 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.1 c1cc(ccc1CI)O MB06957 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.1 c1cc(ccc1CN)O AB11678 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.1 c1cc(ncc1O)CN MB14856 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.8 CNCc1ccccn1 AB10674 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.8 CNCc1cccnc1 AB01384 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.8 CNCc1ccncc1 AB02721 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.8 c1cc(cnc1)CCN AB04606 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.8 c1ccnc(c1)CCN AB00732 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.8 c1cnccc1CCN AB01702 [2,0,0,0,0,0|2,0,0]=4 197 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.1 CNCCc1ccc(cc1)F AB27731 [1,1,0,0,0,0|1,0,0]=3 200 B11R1.1 CNCCc1ccc(cc1)N AB27726 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [1,1,0,0,0,0|0,0,1]=3 202 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [1,1,0,0,0,0|0,0,0]=2 203 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [1,1,0,0,0,0|0,0,0]=2 204 B11R1.1 Cc1ccc(cn1)CCCN AB66947 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.1 Cc1cnc(cn1)CCCN AB69908 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [1,1,0,0,0,0|1,0,1]=4 208 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [1,1,0,0,0,0|0,0,1]=3 210 B11R1.1 c1cc(ccc1CCCN)Br AB23350 [1,1,0,0,0,0|1,0,0]=3 211 B11R1.1 c1cc(ccc1CCCN)Cl AB23351 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.1 c1cc(ccc1CCCN)F AB38689 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.1 c1cc(ccc1CCCN)F AB66835 [1,1,0,0,0,0|1,0,0]=3 214 B11R1.1 c1cc(ccc1CCCN)N AB51238 [1,1,0,0,0,0|1,0,0]=3 215 B11R1.1 c1cc(ccc1CCCN)O AB07598 [1,1,0,0,0,0|0,0,0]=2 216 B11R1.1 c1cc(ccc1CCCO)Br CB11205 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.1 c1cc(ccc1OCCCl)Cl AB13874 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.1 c1cc(ncc1CCCN)Br AB55119 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.1 c1cc(ncc1CCCN)Cl AB55114 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.20 CC(C)Oc1ccc(cn1)O MB23136 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [1,1,0,0,0,0|1,0,0]=3 224 B11R1.20 CN(C)Cc1ccc(cc1)Br AB01531 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.20 CN(C)Cc1ccc(cc1)N AB01571 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [1,1,0,0,0,0|1,0,0]=3 229 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.20 Cc1ccc(cc1)CC(=N)N AB29086 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [1,1,0,0,0,0|0,0,0]=2 232 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [1,1,0,0,0,0|1,0,1]=4 233 B11R1.22 COC(=N)c1ccc(cc1)O AB01949 [1,1,0,0,0,0|1,0,1]=4 234 B11R1.22 C[C@@H](CN)c1ccc(cc1)Br AB85104 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.22 C[C@H](CN)c1ccc(cc1)Br AB85095 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.22 C[C@H](CN)c1ccc(cc1)F AB85098 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.81 CNCc1ccc(cc1Cl)Cl PB15788 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.81 Cc1cc(c(cn1)CCN)Cl AB83329 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.81 Cc1cc(c(cn1)CCN)F AB83049 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.81 Cc1cc(c(nc1)CCN)C AB65484 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.81 Cc1cc(c(nc1)CCN)Cl AB83243 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.81 Cc1cc(c(nc1)CCN)F AB76359 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.81 Cc1cc(ncc1CCN)C AB82577 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.192 CCOc1ccc(c(c1)F)N AB09444 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.192 Cc1c(cc(cn1)CCN)Cl AB83313 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.192 Cc1c(cc(cn1)CCN)F AB83027 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.192 Cc1cc(cnc1C)CCN AB82569 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.192 Cc1cc(ncc1C)CCN AB65480 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.192 Cc1ccc(nc1C)CCN AB65477 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.192 Cc1ccc(nc1Cl)CCN AB83357 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.192 Cc1ccc(nc1F)CCN AB83081 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.192 Cc1cnc(cc1Cl)CCN AB83280 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.192 Cc1cnc(cc1F)CCN AB82959 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.192 c1c(cnc(c1Cl)O)CCN AB84072 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.192 c1c(ncc(c1Cl)O)CCN AB84016 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.192 c1cc(c(nc1CCN)Cl)O AB84098 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.3 B(c1ccc(cc1)CC)(O)O AB07463 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.3 B(c1ccc(cc1)OC)(O)O AB01770 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.3 CC(=O)c1ccc(cn1)OC PB14835 [1,1,0,0,0,0|1,0,1]=4 260 B11R1.3 CC(=O)c1ccc(nc1)OC AB22367 [1,1,0,0,0,0|1,0,1]=4 261 B11R1.3 CC(c1ccc(nc1)OC)N AB67099 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.3 CCc1ccc(cc1)C(=S)N AB23762 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.3 CN(C)c1ccc(cc1)CO AB16431 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.3 COc1ccc(cc1)C(=N)N AB06258 [1,1,0,0,0,0|1,0,1]=4 265 B11R1.3 COc1ccc(cc1)C(=O)N AB00908 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.3 COc1ccc(cc1)C(=S)N AB01847 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.279 CCc1ccc(c(c1)O)C#N AB50292 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.279 CCc1ccc(c(c1)O)C=O MB23811 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.279 CCc1ccc(c(c1)O)CC MB23814 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.279 CCc1ccc(c(c1)O)CN MB23834 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.279 CCc1ccc(c(c1)O)NC MB23854 [1,1,0,0,0,0|1,0,0]=3 272 B11R1.279 CCc1ccc(c(c1)O)OC MB23985 [1,1,0,0,0,0|0,0,0]=2 273 B11R1.279 CCc1ccc(c(c1)O)SC MB23987 [1,1,0,0,0,0|0,1,0]=3 274 B11R1.279 CCc1ccc(cc1O)C#N MB23779 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.279 CCc1ccc(cc1O)C=O MB23812 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.279 CCc1ccc(cc1O)CN MB23838 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.279 CCc1ccc(cc1O)NC MB23855 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.279 CCc1ccc(cc1O)OC MB04144 [1,1,0,0,0,0|0,0,0]=2 279 B11R1.279 CCc1ccc(cc1O)SC MB23989 [1,1,0,0,0,0|0,1,0]=3 280 B11R1.279 CNc1ccc(c(c1)O)NC MB27488 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.279 CNc1ccc(c(c1)O)SC MB31040 [1,1,0,0,0,0|1,1,0]=4 282 B11R1.279 CNc1ccc(cc1O)CN MB30036 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.279 CNc1ccc(cc1O)OC MB36336 [1,1,0,0,0,0|1,0,0]=3 284 B11R1.279 COc1c(cc(cn1)CCl)F AB71009 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.279 COc1c(cc(cn1)CN)Cl AB70281 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.279 COc1c(cc(cn1)CN)F AB74581 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.279 COc1ccc(c(c1)Br)C#N MB06936 [1,1,0,0,0,0|1,0,1]=4 288 B11R1.279 COc1ccc(c(c1)F)CBr AB50043 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.279 COc1ccc(c(c1)F)CN AB20685 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.279 COc1ccc(c(c1)F)CO AB20682 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.279 COc1ccc(c(c1)N)C#N AB21542 [1,1,0,0,0,0|1,0,1]=4 292 B11R1.279 COc1ccc(c(c1)N)C=O AB54699 [1,1,0,0,0,0|1,0,1]=4 293 B11R1.279 COc1ccc(c(c1)O)C#N AB45806 [1,1,0,0,0,0|1,0,1]=4 294 B11R1.279 COc1ccc(c(c1)O)CN MB05065 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.279 COc1ccc(c(c1)O)OC MB00643 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.279 COc1ccc(c(c1)O)SC MB25870 [1,1,0,0,0,0|1,0,0]=3 297 B11R1.279 COc1ccc(c(n1)Cl)CN AB68189 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.279 COc1ccc(cc1Br)C#N AB03835 [1,1,0,0,0,0|1,0,1]=4 299 B11R1.279 COc1ccc(cc1Cl)CN CB10485 [1,1,0,0,0,0|1,0,0]=3 300 B11R1.279 COc1ccc(cc1F)C#N AB04880 [1,1,0,0,0,0|1,0,1]=4 301 B11R1.279 COc1ccc(cc1O)C#N MB02393 [1,1,0,0,0,0|1,0,1]=4 302 B11R1.279 COc1ccc(cc1O)SC MB37214 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.279 CSc1ccc(cc1O)CN MB29248 [1,1,0,0,0,0|1,1,0]=4 304 B13R1.4 CC(C)(Cc1ccc(cc1)OC)N AB54584 [0,2,0,0,0,0|0,0,0]=2 305 B13R1.4 CC(C)(Cc1ccc(nc1)OC)N AB77421 [0,2,0,0,0,0|1,0,0]=3 306 B13R1.5 CC(CN)Oc1ccc(cc1)OC AB12551 [0,2,0,0,0,0|1,0,0]=3 307 B13R1.5 COc1ccc(cc1)CC(=N)OC AB60937 [0,2,0,0,0,0|0,0,1]=3 308 B13R1.35 CC(C)Oc1ccc(c(c1)O)OC MB37143 [0,2,0,0,0,0|1,0,0]=3 309 B13R1.35 CC(C)Oc1ccc(c(c1)O)SC MB26080 [0,2,0,0,0,0|1,1,0]=4 310 B13R1.35 CCc1ccc(cc1O)OC(C)C MB23981 [0,2,0,0,0,0|2,0,0]=4 311 B13R1.36 COc1ccc(cc1)C(C(=O)O)N PB10070 [0,2,0,0,0,0|1,0,1]=4 312 B13R1.36 COc1ccc(cc1)[C@@H](C(=O)O)N AB32877 [0,2,0,0,0,0|1,0,1]=4 313 B13R1.36 COc1ccc(cc1)[C@H](C(=O)O)N AB32874 [0,2,0,0,0,0|1,0,1]=4 314 B13R1.585 B(c1ccc(cc1)CC(C)C)(O)O AB09457 [0,2,0,0,0,0|2,0,0]=4 315 B13R1.653 CC(=O)Nc1ccc(cc1Br)OC AB63495 [0,2,0,0,0,0|1,0,1]=4 316 B13R1.653 CC(C)Oc1ccc(cc1O)SC MB30393 [0,2,0,0,0,0|1,1,0]=4 317 B13R1.653 CCc1ccc(c(c1)O)OC(C)C MB23978 [0,2,0,0,0,0|2,0,0]=4 318 B13R1.653 COc1ccc(c(c1)N)CC(=O)O AB26287 [0,2,0,0,0,0|1,0,1]=4 319 B13R1.95 CNC(=O)c1ccc(cc1O)OC MB09393 [0,2,0,0,0,0|1,0,1]=4 320 B13R1.139 COC(=O)c1ccc(cc1)CC#C AB73220 [0,2,0,0,0,0|0,0,2]=4 321 B13R1.139 COC(=O)c1ccc(cc1)CCBr CB11804 [0,2,0,0,0,0|1,0,0]=3 322 B13R1.187 CC(C)(CN)c1ccc(nc1)OC AB67108 [0,2,0,0,0,0|2,0,0]=4 323 B13R1.187 CC(CN)(c1ccc(cc1)OC)O AB31021 [0,2,0,0,0,0|1,0,0]=3 324 B13R1.187 CC(CN)(c1ccc(cc1)OC)O AB49437 [0,2,0,0,0,0|1,0,0]=3 325 B13R1.187 COc1ccc(cc1)C(CN)(F)F AB84693 [0,2,0,0,0,0|1,0,0]=3 326 B13R1.452 COc1ccc(cc1)C(CCO)N AB10350 [0,2,0,0,0,0|0,0,0]=2 327 B13R1.537 B(c1ccc(cc1)C(C)CC)(O)O AB11167 [0,2,0,0,0,0|2,0,0]=4 328 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC MB28716 [0,2,0,0,0,0|1,0,1]=4 329 B13R1.3 CC(=O)COc1ccc(cc1)OC AB16833 [0,2,0,0,0,0|0,0,1]=3 330 B13R1.3 CNc1ccc(cc1)CCC(=O)O AB72168 [0,2,0,0,0,0|1,0,1]=4 331 B13R1.3 COc1ccc(cc1)CCC(=O)O AB00265 [0,2,0,0,0,0|0,0,1]=3 332 B13R1.74 B(c1ccc(cc1)CCCC)(O)O AB10859 [0,2,0,0,0,0|2,0,0]=4 333 B13R1.74 B(c1ccc(cc1)CCCO)(O)O AB21394 [0,2,0,0,0,0|2,0,0]=4 334 B13R1.74 B(c1ccc(cc1)OCCC)(O)O AB15054 [0,2,0,0,0,0|2,0,0]=4 335 B13R1.74 B(c1ccc(cc1)SCCC)(O)O AB30191 [0,2,0,0,0,0|2,0,0]=4 336 B13R1.74 CC(C)c1ccc(cc1)CCCN AB38699 [0,2,0,0,0,0|1,0,0]=3 337 B13R1.74 CCCCc1ccc(cc1)C(=N)N AB18400 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.74 CN(C)c1ccc(cc1)CCCN AB54559 [0,2,0,0,0,0|1,0,0]=3 339 B13R1.74 CNCCc1ccc(cc1)[N+](=O)[O-] AB25403 [0,2,0,0,0,0|2,0,0]=4 340 B13R1.74 c1cc(ccc1CCCN)[N+](=O)[O-] AB55100 [0,2,0,0,0,0|2,0,0]=4 341 B13R1.371 CCc1ccc(cc1)CCCNC AB38788 [0,2,0,0,0,0|1,0,0]=3 342 B13R1.371 CNCCCc1ccc(cc1)OC AB38807 [0,2,0,0,0,0|0,0,0]=2 343 B13R1.371 COc1ccc(cc1)CCCCN AB07612 [0,2,0,0,0,0|0,0,0]=2 344 B13R1.140 CS(=O)(=O)c1ccc(cc1)CCBr AB65251 [0,2,0,0,0,0|1,1,0]=4 345 B13R1.140 CS(=O)(=O)c1ccc(cc1)CCN AB45420 [0,2,0,0,0,0|1,1,0]=4 346 B11R1.267 CCc1cccc(c1O)OC MB24092 [0,0,1,1,0,0|1,0,1]=4 347 B11R1.280 CCc1cc(ccc1O)OC MB23776 [0,0,1,1,0,0|1,0,1]=4 348 B11R2.34 c1cc(ncc1Br)C2CC2 AB65328 [1,0,0,1,0,0|2,0,0]=4 349 B11R2.34 c1cc(ncc1C2CC2)Br MB10291 [1,0,0,1,0,0|2,0,0]=4 350 B11R2.36 Cc1cc2c(nc1)NCC2 AB26240 [1,0,0,1,0,0|2,0,0]=4 351 B11R2.36 Cc1ccc2c(c1)CNC2 AB49687 [1,0,0,1,0,0|1,0,0]=3 352 B11R2.36 Cc1ccc2c(c1)N=CC2 PB25888 [1,0,0,1,0,0|1,0,1]=4 353 B11R2.36 Cc1ccc2c(c1)N=NC2 MB04939 [1,0,0,1,0,0|2,0,0]=4 354 B11R2.36 Cc1ccc2c(c1)NCC2 MB04575 [1,0,0,1,0,0|1,0,0]=3 355 B11R2.36 Cc1ccc2c(n1)CNC2 AB74756 [1,0,0,1,0,0|2,0,0]=4 356 B11R2.36 c1cc2c(cc1Br)CCC2 MB07871 [1,0,0,1,0,0|1,0,0]=3 357 B11R2.36 c1cc2c(cc1Br)CNC2 PB29483 [1,0,0,1,0,0|2,0,0]=4 358 B11R2.36 c1cc2c(cc1Br)NCC2 MB04573 [1,0,0,1,0,0|2,0,0]=4 359 B11R2.36 c1cc2c(cc1Br)OCC2 MB06567 [1,0,0,1,0,0|2,0,0]=4 360 B11R2.36 c1cc2c(cc1Cl)CNC2 MB09657 [1,0,0,1,0,0|2,0,0]=4 361 B11R2.36 c1cc2c(cc1F)CCO2 AB43939 [1,0,0,1,0,0|2,0,0]=4 362 B11R2.36 c1cc2c(cc1F)CNC2 MB03627 [1,0,0,1,0,0|2,0,0]=4 363 B11R2.36 c1cc2c(cc1F)NCC2 AB01334 [1,0,0,1,0,0|2,0,0]=4 364 B11R2.36 c1cc2c(cc1I)CNC2 MB11263 [1,0,0,1,0,0|2,0,0]=4 365 B11R2.36 c1cc2c(cc1N)CCC2 CB10015 [1,0,0,1,0,0|1,0,0]=3 366 B11R2.36 c1cc2c(cc1N)CCO2 AB15578 [1,0,0,1,0,0|2,0,0]=4 367 B11R2.36 c1cc2c(cc1N)CNC2 AB50244 [1,0,0,1,0,0|2,0,0]=4 368 B11R2.36 c1cc2c(cc1N)NCC2 MB00375 [1,0,0,1,0,0|2,0,0]=4 369 B13R2.16 COc1ccc(cc1)[C@@H]2C[C@H]2N MB69384 [0,1,0,1,0,0|0,0,0]=2 370 B13R2.184 CCc1ccc(cc1)OC2CC2 MB38311 [0,1,0,1,0,0|1,0,0]=3 371 B13R2.184 CCc1ccc(cn1)OC2CC2 MB38211 [0,1,0,1,0,0|2,0,0]=4 372 B13R2.184 CNc1ccc(cc1)OC2CC2 MB50677 [0,1,0,1,0,0|1,0,0]=3 373 B13R2.184 CNc1ccc(cn1)OC2CC2 MB32050 [0,1,0,1,0,0|2,0,0]=4 374 B13R2.184 COc1ccc(cc1)OC2CC2 MB35609 [0,1,0,1,0,0|0,0,0]=2 375 B13R2.184 COc1ccc(cn1)OC2CC2 MB30535 [0,1,0,1,0,0|1,0,0]=3 376 B13R2.184 CSc1ccc(cc1)OC2CC2 MB51019 [0,1,0,1,0,0|0,1,0]=3 377 B13R2.184 CSc1ccc(cn1)OC2CC2 MB37586 [0,1,0,1,0,0|1,1,0]=4 378 B13R2.184 c1cc(ccc1C#N)OC2CC2 MB20116 [0,1,0,1,0,0|2,0,0]=4 379 B13R2.184 c1cc(ccc1C=O)OC2CC2 MB20130 [0,1,0,1,0,0|2,0,0]=4 380 B13R2.184 c1cc(ccc1CN)OC2CC2 MB20084 [0,1,0,1,0,0|2,0,0]=4 381 B13R2.2121 COc1ccc2c(c1)CC(=O)N2 AB10027 [0,1,0,1,0,0|1,0,1]=4 382 B13R2.2121 COc1ccc2c(c1)CC(C2)N AB43715 [0,1,0,1,0,0|0,0,0]=2 383 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 AB05458 [0,1,0,1,0,0|1,0,1]=4 384 B13R2.186 COc1ccc(cc1)C2(CC2)N AB32582 [0,1,0,1,0,0|0,0,0]=2 385 B13R2.186 COc1ccc(cn1)C2(CC2)N AB67066 [0,1,0,1,0,0|1,0,0]=3 386 B13R2.2130 COc1ccc2c(c1)CC[C@H]2N AB29114 [0,1,0,1,0,0|0,0,0]=2 387 B13R2.2130 COc1ccc2c(c1)CNC2=O AB45189 [0,1,0,1,0,0|1,0,1]=4 388 B13R2.2130 COc1ccc2c(c1)OCC2=O AB11637 [0,1,0,1,0,0|1,0,1]=4 389 B13R2.2130 COc1ccc2c(c1)OCC2N AB45857 [0,1,0,1,0,0|1,0,0]=3 390 B13R2.2130 COc1ccc2c(n1)CCC2=O AB70088 [0,1,0,1,0,0|1,0,1]=4 391 B13R2.2130 COc1ccc2c(n1)CCC2N AB70097 [0,1,0,1,0,0|1,0,0]=3 392 B13R2.2130 COc1ccc2c(n1)OCC2N AB70113 [0,1,0,1,0,0|2,0,0]=4 393 B13R2.2130 c1cc2c(cc1CN)CCC2O MB05908 [0,1,0,1,0,0|2,0,0]=4 394 B13R2.57 COc1cc2c(cn1)CCCN2 AB73006 [0,1,0,1,0,0|1,0,0]=3 395 B13R2.57 COc1cc2c(cn1)CCNC2 AB68342 [0,1,0,1,0,0|1,0,0]=3 396 B13R2.57 COc1cc2c(cn1)CNCC2 AB66647 [0,1,0,1,0,0|1,0,0]=3 397 B13R2.57 COc1cc2c(cn1)NCCC2 AB73036 [0,1,0,1,0,0|1,0,0]=3 398 B13R2.57 COc1cc2c(nc1)CCNC2 AB68781 [0,1,0,1,0,0|1,0,0]=3 399 B13R2.57 COc1cc2c(nc1)CNCC2 AB73901 [0,1,0,1,0,0|1,0,0]=3 400 B13R2.57 COc1ccc2c(c1)CCNC2 AB09837 [0,1,0,1,0,0|0,0,0]=2 401 B13R2.57 COc1ccc2c(c1)CNCC2 AB09126 [0,1,0,1,0,0|0,0,0]=2 402 B13R2.57 COc1ccc2c(c1)NCCC2 MB06336 [0,1,0,1,0,0|0,0,0]=2 403 B13R2.57 COc1ccc2c(c1)NCCO2 AB43971 [0,1,0,1,0,0|1,0,0]=3 404 B13R2.57 COc1ccc2c(c1)OCCN2 MB09263 [0,1,0,1,0,0|1,0,0]=3 405 B13R2.57 COc1ccc2c(c1)OCCN2 MB11317 [0,1,0,1,0,0|1,0,0]=3 406 B13R2.57 COc1ccc2c(n1)CCCN2 AB77005 [0,1,0,1,0,0|1,0,0]=3 407 B13R2.57 COc1ccc2c(n1)CCNC2 AB55063 [0,1,0,1,0,0|1,0,0]=3 408 B13R2.57 COc1ccc2c(n1)CCOC2 AB73484 [0,1,0,1,0,0|1,0,0]=3 409 B13R2.57 COc1ccc2c(n1)CNCC2 AB70130 [0,1,0,1,0,0|1,0,0]=3 410 B13R2.57 COc1ccc2c(n1)NCCO2 AB72715 [0,1,0,1,0,0|2,0,0]=4 411 B13R2.57 COc1cnc2c(n1)CCNC2 AB73937 [0,1,0,1,0,0|2,0,0]=4 412 B13R2.57 COc1ncc2c(n1)CCNC2 AB58994 [0,1,0,1,0,0|2,0,0]=4 413 B13R2.57 c1cc2c(cc1C#N)CCNC2 AB16298 [0,1,0,1,0,0|2,0,0]=4 414 B13R2.57 c1cc2c(cc1C#N)CCNC2 MB05619 [0,1,0,1,0,0|2,0,0]=4 415 B13R2.57 c1cc2c(cc1C#N)CNCC2 AB13377 [0,1,0,1,0,0|2,0,0]=4 416 B13R2.57 c1cc2c(cc1C#N)COCC2 MB09759 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.669 COc1ccc2c(c1)C(=O)CO2 AB45799 [0,1,0,1,0,0|1,0,1]=4 418 B13R2.669 COc1ccc2c(c1)C(=O)OC2 MB00644 [0,1,0,1,0,0|1,0,1]=4 419 B13R2.669 COc1ccc2c(c1)C(CC2)N AB21023 [0,1,0,1,0,0|0,0,0]=2 420 B13R2.669 COc1ccc2c(c1)C(CC2)N AB30593 [0,1,0,1,0,0|0,0,0]=2 421 B13R2.669 COc1ccc2c(c1)C(CO2)N AB49134 [0,1,0,1,0,0|1,0,0]=3 422 B13R2.669 COc1ccc2c(c1)[C@@H](CC2)N PB26238 [0,1,0,1,0,0|0,0,0]=2 423 B13R2.669 COc1ccc2c(c1)[C@H](CC2)N PB18777 [0,1,0,1,0,0|0,0,0]=2 424 B13R2.669 CSc1ccc2c(c1)C(=O)CC2 AB44851 [0,1,0,1,0,0|0,1,1]=4 425 B13R2.428 CC(=O)c1ccc(nc1)C2CC2 AB74682 [0,1,0,1,0,0|2,0,0]=4 426 B13R2.449 CNCc1cc2c(nc1)OCO2 AB73675 [0,1,0,1,0,0|2,0,0]=4 427 B13R2.449 c1c(cnc2c1OCO2)CCN AB73681 [0,1,0,1,0,0|2,0,0]=4 428 B13R2.84 COc1ccc2c(c1Cl)N=NC2 MB10716 [0,1,0,1,0,0|2,0,0]=4