0 B9R1.8 C#CCc1ccccn1 AB73234 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.8 C#CCc1cccnc1 AB61408 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.8 CNCc1ccccn1 AB10674 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.8 CNCc1cccnc1 AB01384 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.8 CNCc1ccncc1 AB02721 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.8 CNCc1ccnnc1 PB24326 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.8 CNCc1cnccn1 PB18749 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.8 CNCc1cncnc1 PB33284 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.8 CNCc1ncccn1 PB29842 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.8 c1c(cncn1)CC#N PB22350 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.8 c1c(cncn1)CC=O AB57639 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.8 c1c(cncn1)CCN AB45406 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.8 c1c(cncn1)CNN PB19654 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.8 c1cc(cnc1)CCN AB04606 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.8 c1cc(cnc1)CNN PB16271 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.8 c1cc(cnc1)N=C=O AB08187 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.8 c1cc(nnc1)CC#N PB25604 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.8 c1cc(nnc1)CCN AB61130 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.8 c1cc(nnc1)CNN PB37174 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.8 c1ccc(cc1)NC#N MB01061 [0,0,0,0,0,0|1,0,2]=3 20 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [0,0,0,0,0,0|1,0,2]=3 21 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.8 c1ccnc(c1)CC#N AB00727 [0,0,0,0,0,0|1,0,2]=3 23 B9R1.8 c1ccnc(c1)CC=O AB61426 [0,0,0,0,0,0|2,0,1]=3 24 B9R1.8 c1ccnc(c1)CCN AB00732 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.8 c1ccnc(c1)CNN PB19014 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.8 c1cnc(cn1)CC#N PB16294 [0,0,0,0,0,0|2,0,2]=4 27 B9R1.8 c1cnc(cn1)CC=O AB57650 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.8 c1cnc(cn1)CCN AB22666 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.8 c1cnc(cn1)CNN PB20222 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.8 c1cnc(nc1)CC#N PB12692 [0,0,0,0,0,0|2,0,2]=4 31 B9R1.8 c1cnc(nc1)CC=O AB57641 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.8 c1cnc(nc1)CCN AB55156 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.8 c1cnc(nc1)CNN PB21406 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.8 c1cnccc1CCN AB01702 [0,0,0,0,0,0|1,0,0]=1 35 B9R1.8 c1cnccc1CNN PB10342 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.8 c1cnccc1N=C=O AB44989 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.8 c1cncnc1CC#N PB22811 [0,0,0,0,0,0|2,0,2]=4 38 B9R1.8 c1cncnc1CC=O AB57648 [0,0,0,0,0,0|3,0,1]=4 39 B9R1.8 c1cncnc1CCN PB14818 [0,0,0,0,0,0|2,0,0]=2 40 B9R1.8 c1cnncc1CC#N PB25603 [0,0,0,0,0,0|2,0,2]=4 41 B9R1.8 c1cnncc1CCN AB62610 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.8 c1cnncc1CNN PB35490 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.2 C#Cc1ccccn1 PB17077 [1,0,0,0,0,0|1,0,2]=4 44 B8R1.2 C#Cc1cccnc1 PB29186 [1,0,0,0,0,0|1,0,2]=4 45 B8R1.2 C#Cc1ccncc1 PB29291 [1,0,0,0,0,0|1,0,2]=4 46 B8R1.2 CNc1cccnc1 AB09114 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.2 CNc1ccncn1 AB60623 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 CNc1cncnc1 AB60774 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 CNc1ncccn1 AB05135 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.2 COc1cccnc1 AB06864 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.2 COc1cccnn1 AB05130 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 COc1ccnnc1 AB44150 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 c1c(cncn1)CCl PB31962 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.2 c1c(cncn1)CCl PB34530 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.2 c1c(cncn1)CN PB26277 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.2 c1c(cncn1)CO PB18631 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.2 c1c(cncn1)NN PB30357 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.2 c1cc(cnc1)C=O AB00744 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.2 c1cc(cnc1)CCl AB01984 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.2 c1cc(cnc1)CN AB00752 [1,0,0,0,0,0|1,0,0]=2 61 B8R1.2 c1cc(cnc1)NN AB42924 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.2 c1cc(cnc1)NN PB18886 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.2 c1cc(nnc1)CCl PB28814 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 c1cc(nnc1)CN PB29341 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.2 c1cc(nnc1)CO PB30818 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.2 c1ccnc(c1)C=O AB00680 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.2 c1ccnc(c1)CBr MB02148 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.2 c1ccnc(c1)CCl AB22495 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.2 c1ccnc(c1)CN AB00731 [1,0,0,0,0,0|1,0,0]=2 70 B8R1.2 c1cnc(cn1)CCl PB20483 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.2 c1cnc(cn1)CN PB14180 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.2 c1cnc(cn1)CO PB21779 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.2 c1cnc(cn1)NN PB12798 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.2 c1cnc(nc1)CCl PB20403 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 c1cnc(nc1)CN CB11589 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.2 c1cnc(nc1)CN PB23443 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.2 c1cnc(nc1)CO PB12410 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 c1cnc(nc1)NN PB10192 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 c1cnccc1C=O AB00754 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.2 c1cnccc1CCl AB15539 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.2 c1cnccc1CN AB00767 [1,0,0,0,0,0|1,0,0]=2 82 B8R1.2 c1cnccc1NN PB27392 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.2 c1cnccc1ON AB31585 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.2 c1cncnc1CCl AB58895 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.2 c1cncnc1CN PB10439 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.2 c1cncnc1CO PB12296 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.2 c1cnncc1CN PB31361 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.2 c1cnncc1CO PB26178 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.2 c1ncnc(n1)CN AB60787 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.1 C#CCc1ccc(cc1)Br AB61388 [0,1,0,0,0,0|1,0,1]=3 91 B10R1.1 C#CCc1ccc(cc1)Cl AB61380 [0,1,0,0,0,0|1,0,1]=3 92 B10R1.1 C#CCc1ccc(cc1)F AB61384 [0,1,0,0,0,0|1,0,1]=3 93 B10R1.1 C#CCc1ccc(cc1)I AB73225 [0,1,0,0,0,0|1,0,1]=3 94 B10R1.1 C#CCc1ccc(cn1)Br AB73237 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.1 C#CCc1ccc(cn1)Cl AB73238 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.1 C#CCc1ccc(cn1)F AB73236 [0,1,0,0,0,0|2,0,1]=4 97 B10R1.1 C#CCc1ccc(nc1)Br AB69172 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.1 C#CCc1ccc(nc1)Cl AB69169 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.1 CCCc1ncc(cn1)Cl AB59170 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.1 CCNc1ccc(cn1)Br AB51199 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.1 CCOc1ccc(cn1)Br AB05210 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.1 CCOc1ccc(cn1)N AB09602 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.1 CNCc1ccc(cn1)Br AB49704 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.1 CNCc1ccc(cn1)Cl AB67610 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.1 CNCc1ccc(cn1)F AB67668 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.1 CNCc1ccc(cn1)N AB67748 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.1 CNCc1ccc(nc1)Br AB67269 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.1 CNCc1ccc(nc1)Cl AB52618 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [0,1,0,0,0,0|1,0,1]=3 110 B10R1.1 Cc1ccc(cc1)\C=C\Br AB73509 [0,1,0,0,0,0|1,0,2]=4 111 B10R1.1 Cc1ccc(cn1)CCN AB55173 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.1 Cc1ccc(cn1)CNC AB63786 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.1 Cc1ccc(nc1)CCN AB31467 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.1 Cc1ccc(nc1)CNC AB67504 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.1 Cc1cnc(cn1)CCN AB69468 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.1 Cc1cnc(nc1)CCN AB59260 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.1 Cc1ncc(cn1)CCN AB59372 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.1 c1c(cnc(n1)CCN)Cl AB58674 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.1 c1c(cnc(n1)CCN)F AB59267 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.1 c1c(cnc(n1)CCO)Cl AB59166 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.1 c1c(cnc(n1)Cl)CCN AB59374 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.1 c1c(ncc(n1)Cl)CCBr AB69919 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.1 c1c(ncc(n1)Cl)CCN AB69471 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.1 c1cc(ccc1CC#N)F AB00175 [0,1,0,0,0,0|0,0,2]=3 125 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [0,1,0,0,0,0|1,0,1]=3 126 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [0,1,0,0,0,0|1,0,1]=3 127 B10R1.1 c1cc(ccc1CC=O)F AB11805 [0,1,0,0,0,0|1,0,1]=3 128 B10R1.1 c1cc(ccc1CC=O)N AB27688 [0,1,0,0,0,0|1,0,1]=3 129 B10R1.1 c1cc(ccc1CCBr)N MB02970 [0,1,0,0,0,0|1,0,0]=2 130 B10R1.1 c1cc(ccc1CCN)Br AB00934 [0,1,0,0,0,0|0,0,0]=1 131 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [0,1,0,0,0,0|0,0,0]=1 132 B10R1.1 c1cc(ccc1CCN)F AB03730 [0,1,0,0,0,0|0,0,0]=1 133 B10R1.1 c1cc(ccc1CCN)N AB00936 [0,1,0,0,0,0|0,0,0]=1 134 B10R1.1 c1cc(ccc1CCO)Br AB00280 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.1 c1cc(ccc1CNN)Br PB32548 [0,1,0,0,0,0|1,0,0]=2 136 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.1 c1cc(ccc1CNN)F PB20964 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.1 c1cc(ccc1N=[N+]=[N-])Br AB50568 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.1 c1cc(ccc1\C=C\Br)Br AB32162 [0,1,0,0,0,0|1,0,2]=4 140 B10R1.1 c1cc(ccc1\C=C\Br)Cl AB32165 [0,1,0,0,0,0|1,0,2]=4 141 B10R1.1 c1cc(ccc1\C=C\Br)F AB66443 [0,1,0,0,0,0|1,0,2]=4 142 B10R1.1 c1cc(ccc1\C=N\O)Br AB06151 [0,1,0,0,0,0|2,0,1]=4 143 B10R1.1 c1cc(ncc1Br)CC#N PB27797 [0,1,0,0,0,0|1,0,2]=4 144 B10R1.1 c1cc(ncc1Br)CCN PB20258 [0,1,0,0,0,0|1,0,0]=2 145 B10R1.1 c1cc(ncc1Br)CCO PB14792 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.1 c1cc(ncc1CC#N)Cl AB17555 [0,1,0,0,0,0|1,0,2]=4 147 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.1 c1cc(ncc1CCN)Br AB45460 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.1 c1cc(ncc1CCN)N AB76809 [0,1,0,0,0,0|1,0,0]=2 152 B10R1.1 c1cc(ncc1Cl)CC#N AB55145 [0,1,0,0,0,0|1,0,2]=4 153 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [0,1,0,0,0,0|1,0,0]=2 154 B10R1.1 c1cc(ncc1F)CCN AB45484 [0,1,0,0,0,0|1,0,0]=2 155 B10R1.1 c1cc(ncc1N)CCN AB67762 [0,1,0,0,0,0|1,0,0]=2 156 B10R1.1 c1cc(ncc1O)CCN AB67805 [0,1,0,0,0,0|1,0,0]=2 157 B10R1.4 CCCc1cncnc1Cl AB55649 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.4 CCOc1c(cccn1)Br AB05207 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.4 CCOc1c(cccn1)I AB05213 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.4 CCOc1ccncc1Br MB01009 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.4 CNCc1c(cccn1)F PB12566 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.4 CNCc1cccnc1Cl AB53845 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.4 CNCc1cnccc1Br AB67968 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.4 CNCc1cnccc1Cl AB67984 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.4 CNCc1cnccc1F AB68060 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.4 Cc1c(cccn1)CCN AB66943 [0,1,0,0,0,0|1,0,0]=2 167 B10R1.4 Cc1c(cccn1)CNC AB66889 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.4 Cc1ccccc1CC=O AB11813 [0,1,0,0,0,0|1,0,1]=3 169 B10R1.4 Cc1cccnc1CCN AB31462 [0,1,0,0,0,0|1,0,0]=2 170 B10R1.4 Cc1ccncc1CCN AB55157 [0,1,0,0,0,0|1,0,0]=2 171 B10R1.4 Cc1ccncc1CNC AB67828 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [0,1,0,0,0,0|1,0,0]=2 173 B10R1.4 c1cc(c(nc1)CC#N)Br PB13243 [0,1,0,0,0,0|1,0,2]=4 174 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [0,1,0,0,0,0|1,0,0]=2 175 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [0,1,0,0,0,0|1,0,0]=2 176 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.4 c1cc(c(nc1)Cl)CC#N PB13101 [0,1,0,0,0,0|1,0,2]=4 178 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [0,1,0,0,0,0|1,0,0]=2 179 B10R1.4 c1ccc(c(c1)CC#N)Br AB00169 [0,1,0,0,0,0|0,0,2]=3 180 B10R1.4 c1ccc(c(c1)CC#N)F AB00172 [0,1,0,0,0,0|0,0,2]=3 181 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [0,1,0,0,0,0|0,0,0]=1 182 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [0,1,0,0,0,0|0,0,0]=1 183 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [0,1,0,0,0,0|1,0,0]=2 184 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [0,1,0,0,0,0|1,0,0]=2 185 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [0,1,0,0,0,0|1,0,0]=2 186 B10R1.4 c1ccc(c(c1)\C=N\O)Cl AB01188 [0,1,0,0,0,0|2,0,1]=4 187 B10R1.4 c1cncc(c1Br)CC#N AB74620 [0,1,0,0,0,0|1,0,2]=4 188 B10R1.4 c1cncc(c1Br)CCN AB45481 [0,1,0,0,0,0|1,0,0]=2 189 B10R1.4 c1cncc(c1Cl)CCN AB68002 [0,1,0,0,0,0|1,0,0]=2 190 B10R1.4 c1cncc(c1F)CCN AB55177 [0,1,0,0,0,0|1,0,0]=2 191 B10R1.10 C#CCc1cccc(c1)Br AB61399 [0,1,0,0,0,0|1,0,1]=3 192 B10R1.10 C#CCc1cccc(c1)Cl AB61396 [0,1,0,0,0,0|1,0,1]=3 193 B10R1.10 C#CCc1cccc(c1)I AB73228 [0,1,0,0,0,0|1,0,1]=3 194 B10R1.10 CCCc1cccc(n1)N AB03673 [0,1,0,0,0,0|2,0,0]=3 195 B10R1.10 CCCc1ccnc(c1)N AB03633 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.10 CCOc1cc(ccn1)Br AB05209 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.10 CCOc1cc(ccn1)N AB05301 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.10 CCOc1cc(cnc1)Br AB05134 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.10 CCOc1cccc(n1)Br AB05279 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.10 CCOc1cccc(n1)N AB05302 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.10 CCOc1ccnc(c1)N AB09620 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.10 CNCc1cc(ccn1)Br AB40680 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.10 CNCc1cc(ccn1)Cl AB40676 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.10 CNCc1cc(ccn1)F AB68057 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.10 CNCc1cc(ccn1)N AB40666 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.10 CNCc1cc(cnc1)Br AB41067 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.10 CNCc1cc(cnc1)Cl AB67611 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.10 CNCc1cc(cnc1)F AB67670 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.10 CNCc1cc(cnc1)N AB67751 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.10 CNCc1cccc(n1)Br AB48344 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.10 CNCc1cccc(n1)Cl AB67315 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.10 CNCc1cccc(n1)F AB72833 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.10 CNCc1ccnc(c1)Br AB67272 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.10 CNCc1ccnc(c1)Cl AB25401 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.10 Cc1cc(ccn1)CCN AB55165 [0,1,0,0,0,0|1,0,0]=2 216 B10R1.10 Cc1cc(ccn1)CNC AB53841 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.10 Cc1cc(cnc1)CCN AB55190 [0,1,0,0,0,0|1,0,0]=2 218 B10R1.10 Cc1cc(cnc1)CNC AB67507 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.10 Cc1cc(ncn1)CCN AB64311 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.10 Cc1cccc(c1)CC=O AB11815 [0,1,0,0,0,0|1,0,1]=3 221 B10R1.10 Cc1cccc(n1)CCN AB17067 [0,1,0,0,0,0|1,0,0]=2 222 B10R1.10 Cc1cccc(n1)CNC AB01381 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.10 Cc1ccnc(c1)CNC AB52584 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.10 Cc1ccnc(n1)CCN AB59280 [0,1,0,0,0,0|2,0,0]=3 225 B10R1.10 c1c(cncc1Br)CC#N PB14457 [0,1,0,0,0,0|1,0,2]=4 226 B10R1.10 c1c(cncc1Br)CCN AB41071 [0,1,0,0,0,0|1,0,0]=2 227 B10R1.10 c1c(cncc1Br)CNN PB37854 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.10 c1c(cncc1Cl)CCN AB67621 [0,1,0,0,0,0|1,0,0]=2 229 B10R1.10 c1c(cncc1F)CC#N PB29755 [0,1,0,0,0,0|1,0,2]=4 230 B10R1.10 c1c(cncc1F)CCN AB55166 [0,1,0,0,0,0|1,0,0]=2 231 B10R1.10 c1c(cncc1N)CCN AB67760 [0,1,0,0,0,0|1,0,0]=2 232 B10R1.10 c1c(nc(cn1)Cl)CCN AB69954 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.10 c1c(ncnc1Cl)CCN AB51553 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.10 c1cc(cc(c1)Br)CC#N AB00173 [0,1,0,0,0,0|0,0,2]=3 235 B10R1.10 c1cc(cc(c1)Br)CC=O AB11787 [0,1,0,0,0,0|1,0,1]=3 236 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [0,1,0,0,0,0|0,0,0]=1 237 B10R1.10 c1cc(cc(c1)Br)CNN PB10474 [0,1,0,0,0,0|1,0,0]=2 238 B10R1.10 c1cc(cc(c1)Br)\C=C\Br AB73510 [0,1,0,0,0,0|1,0,2]=4 239 B10R1.10 c1cc(cc(c1)Br)\C=N\O AB03839 [0,1,0,0,0,0|2,0,1]=4 240 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [0,1,0,0,0,0|1,0,1]=3 241 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [0,1,0,0,0,0|0,0,0]=1 242 B10R1.10 c1cc(cc(c1)Cl)CNN PB23504 [0,1,0,0,0,0|1,0,0]=2 243 B10R1.10 c1cc(cc(c1)F)CC=O AB11802 [0,1,0,0,0,0|1,0,1]=3 244 B10R1.10 c1cc(cc(c1)F)CNN PB22082 [0,1,0,0,0,0|1,0,0]=2 245 B10R1.10 c1cc(cc(c1)N)CC#N AB13852 [0,1,0,0,0,0|0,0,2]=3 246 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [0,1,0,0,0,0|0,0,0]=1 247 B10R1.10 c1cc(cc(c1)O)CC#N AB13855 [0,1,0,0,0,0|0,0,2]=3 248 B10R1.10 c1cc(nc(c1)Br)CC#N AB48704 [0,1,0,0,0,0|1,0,2]=4 249 B10R1.10 c1cc(nc(c1)Br)CCN AB45432 [0,1,0,0,0,0|1,0,0]=2 250 B10R1.10 c1cc(nc(c1)Br)CCO CB11431 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.10 c1cc(nc(c1)Cl)CC#N AB51195 [0,1,0,0,0,0|1,0,2]=4 252 B10R1.10 c1cc(nc(c1)Cl)CCN AB67354 [0,1,0,0,0,0|1,0,0]=2 253 B10R1.10 c1cc(nc(c1)F)CC#N AB55154 [0,1,0,0,0,0|1,0,2]=4 254 B10R1.10 c1cc(nc(c1)F)CCN AB45492 [0,1,0,0,0,0|1,0,0]=2 255 B10R1.10 c1cc(nc(c1)F)CCO AB55227 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.10 c1cc(nc(c1)N)CCN AB55667 [0,1,0,0,0,0|1,0,0]=2 257 B10R1.10 c1cnc(cc1Br)CCN AB55853 [0,1,0,0,0,0|1,0,0]=2 258 B10R1.10 c1cnc(cc1CC#N)Br AB63148 [0,1,0,0,0,0|1,0,2]=4 259 B10R1.10 c1cnc(cc1CC#N)F AB55155 [0,1,0,0,0,0|1,0,2]=4 260 B10R1.10 c1cnc(cc1CCBr)F AB72866 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.10 c1cnc(cc1CCN)Br AB45468 [0,1,0,0,0,0|1,0,0]=2 262 B10R1.10 c1cnc(cc1CCN)Cl AB45448 [0,1,0,0,0,0|1,0,0]=2 263 B10R1.10 c1cnc(cc1CCN)F AB55184 [0,1,0,0,0,0|1,0,0]=2 264 B10R1.10 c1cnc(cc1Cl)CCN AB65496 [0,1,0,0,0,0|1,0,0]=2 265 B10R1.10 c1cnc(cc1F)CCN AB55195 [0,1,0,0,0,0|1,0,0]=2 266 B10R1.10 c1cnc(nc1CCN)Cl AB76813 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.10 c1cnc(nc1Cl)CCN AB58890 [0,1,0,0,0,0|2,0,0]=3 268 B10R1.10 c1cnc(nc1N)CCN AB59298 [0,1,0,0,0,0|2,0,0]=3 269 B10R1.10 c1cnc(nc1O)CCN AB59283 [0,1,0,0,0,0|2,0,0]=3 270 B10R1.15 CC(c1cccnc1)NC CB11165 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,1,0,0,0,0|2,0,1]=4 272 B10R1.15 CCC(c1cnccn1)N PB31632 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [0,1,0,0,0,0|0,0,0]=1 274 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [0,1,0,0,0,0|0,0,0]=1 275 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [0,1,0,0,0,0|2,0,1]=4 276 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [0,1,0,0,0,0|2,0,1]=4 277 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [0,1,0,0,0,0|2,0,1]=4 278 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [0,1,0,0,0,0|1,0,0]=2 280 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [0,1,0,0,0,0|1,0,2]=4 282 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [0,1,0,0,0,0|1,0,2]=4 283 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [0,1,0,0,0,0|1,0,1]=3 284 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [0,1,0,0,0,0|2,0,1]=4 285 B10R1.15 c1cnccc1C(=O)CBr AB12154 [0,1,0,0,0,0|2,0,1]=4 286 B10R1.17 C#CCOc1cccnc1 AB61421 [0,1,0,0,0,0|2,0,1]=4 287 B10R1.17 C#CCOc1ccncc1 AB61423 [0,1,0,0,0,0|2,0,1]=4 288 B10R1.17 CNCCc1cccnc1 AB10676 [0,1,0,0,0,0|1,0,0]=2 289 B10R1.17 CNCCc1ccncc1 AB02055 [0,1,0,0,0,0|1,0,0]=2 290 B10R1.17 c1c(cncn1)CCC=O AB57646 [0,1,0,0,0,0|3,0,0]=4 291 B10R1.17 c1cc(cnc1)CCC=O AB57626 [0,1,0,0,0,0|2,0,0]=3 292 B10R1.17 c1cc(cnc1)CCCN AB54556 [0,1,0,0,0,0|1,0,0]=2 293 B10R1.17 c1ccc(cc1)CCC=O AB00823 [0,1,0,0,0,0|1,0,0]=2 294 B10R1.17 c1ccc(cc1)CCCN AB00940 [0,1,0,0,0,0|0,0,0]=1 295 B10R1.17 c1ccnc(c1)CCC=O AB57635 [0,1,0,0,0,0|2,0,0]=3 296 B10R1.17 c1ccnc(c1)CCCN AB30458 [0,1,0,0,0,0|1,0,0]=2 297 B10R1.17 c1ccnc(c1)CCCO PB12987 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.17 c1ccnc(c1)OCCN AB03271 [0,1,0,0,0,0|1,0,0]=2 299 B10R1.17 c1cnc(cn1)CCC=O AB57652 [0,1,0,0,0,0|3,0,0]=4 300 B10R1.17 c1cnc(nc1)CCC=O AB57644 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.17 c1cnc(nc1)NCCN AB49586 [0,1,0,0,0,0|2,0,0]=3 302 B10R1.17 c1cnccc1CCC=O AB49299 [0,1,0,0,0,0|2,0,0]=3 303 B10R1.17 c1cnccc1CCCN AB43583 [0,1,0,0,0,0|1,0,0]=2 304 B10R1.17 c1cncnc1CCC=O AB57649 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [0,1,0,0,0,0|2,0,0]=3 306 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [0,1,0,0,0,0|2,0,1]=4 307 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [0,1,0,0,0,0|2,0,1]=4 308 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [0,1,0,0,0,0|2,0,1]=4 309 B10R1.18 CC(C)Oc1ccccn1 AB63711 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.18 CC(Cc1ccccn1)N AB12969 [0,1,0,0,0,0|1,0,0]=2 311 B10R1.18 CC(Cc1cccnc1)N AB23775 [0,1,0,0,0,0|1,0,0]=2 312 B10R1.18 CC(Cc1ccncc1)N AB28531 [0,1,0,0,0,0|1,0,0]=2 313 B10R1.18 CC(Cc1cnccn1)N AB28467 [0,1,0,0,0,0|2,0,0]=3 314 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [0,1,0,0,0,0|0,0,0]=1 315 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [0,1,0,0,0,0|0,0,0]=1 316 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [0,1,0,0,0,0|2,0,1]=4 317 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [0,1,0,0,0,0|0,0,1]=2 318 B10R2.6 c1cnc(nc1)C2CC2 PB25710 [0,0,0,1,0,0|3,0,0]=4 319 B10R2.7 c1c2c(ncn1)NCC2 AB68426 [0,0,0,1,0,0|2,0,0]=3 320 B10R2.7 c1cc2c(nc1)CNC2 PB30869 [0,0,0,1,0,0|3,0,0]=4 321 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [0,0,0,1,0,0|1,0,0]=2 322 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [0,0,0,1,0,0|2,0,0]=3 323 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [0,0,0,1,0,0|1,0,0]=2 324 B10R2.7 c1cnc2c(n1)CCN2 AB75473 [0,0,0,1,0,0|2,0,0]=3 325 B10R2.7 c1cncc2=CCN=c21 PB12213 [0,0,0,1,0,0|1,0,2]=4 326 B10R2.7 c1cncc2=NCC=c21 PB21773 [0,0,0,1,0,0|1,0,2]=4 327 B10R2.7 c1cncc2c1CNC2 AB30511 [0,0,0,1,0,0|3,0,0]=4 328 B10R2.7 c1cncc2c1CNC2 PB24193 [0,0,0,1,0,0|3,0,0]=4 329 B8R1.8 C1=NN=CC1CCN AB30567 [0,0,0,0,1,0|2,0,1]=4 330 B8R1.8 C1C=C(N=N1)CCN AB60568 [0,0,0,0,1,0|2,0,1]=4 331 B8R1.8 C1C=NC(=N1)CCN AB11463 [0,0,0,0,1,0|2,0,1]=4 332 B8R1.8 C1N=CC=[N+]1CCN AB72185 [0,0,0,0,1,0|2,0,1]=4 333 B8R1.8 CNCc1cccs1 AB13997 [0,0,0,0,1,0|3,0,0]=4 334 B8R1.8 c1[nH]c(nn1)CCN AB39245 [0,0,0,0,1,0|3,0,0]=4 335 B8R1.8 c1[nH]c(nn1)CCN AB57486 [0,0,0,0,1,0|3,0,0]=4 336 B8R1.8 c1c(con1)CCN AB28074 [0,0,0,0,1,0|2,0,0]=3 337 B8R1.8 c1c(con1)CCO AB22774 [0,0,0,0,1,0|3,0,0]=4 338 B8R1.8 c1c(ncs1)CCN AB45423 [0,0,0,0,1,0|2,0,0]=3 339 B8R1.8 c1cc(sc1)CCN PB12982 [0,0,0,0,1,0|1,0,0]=2 340 B8R1.8 c1cc(sc1)CCO PB32074 [0,0,0,0,1,0|2,0,0]=3 341 B8R1.8 c1cc(sc1)CNN PB12479 [0,0,0,0,1,0|2,0,0]=3 342 B8R1.8 c1ccn(c1)CCBr MB00850 [0,0,0,0,1,0|2,0,0]=3 343 B8R1.8 c1cn(cn1)CCN AB13191 [0,0,0,0,1,0|2,0,0]=3 344 B8R1.8 c1cn(nn1)CCN AB28528 [0,0,0,0,1,0|3,0,0]=4 345 B8R1.8 c1cnn(c1)CCN AB15836 [0,0,0,0,1,0|2,0,0]=3 346 B8R1.8 c1csc(n1)CCN AB28436 [0,0,0,0,1,0|2,0,0]=3 347 B8R1.8 c1csc(n1)CCN AB43209 [0,0,0,0,1,0|2,0,0]=3 348 B8R1.8 c1cscc1CC#N PB19846 [0,0,0,0,1,0|1,0,2]=4 349 B8R1.8 c1cscc1CCN PB24618 [0,0,0,0,1,0|1,0,0]=2 350 B8R1.8 c1cscc1CCO PB25903 [0,0,0,0,1,0|2,0,0]=3 351 B8R1.8 c1cscc1CNN PB25191 [0,0,0,0,1,0|2,0,0]=3 352 B8R1.8 c1ncn(n1)CCN AB09728 [0,0,0,0,1,0|3,0,0]=4 353 B8R1.8 c1nnc(o1)CCN AB57621 [0,0,0,0,1,0|3,0,0]=4 354 B8R1.8 c1nnc(s1)CCN PB27207 [0,0,0,0,1,0|3,0,0]=4 355 B7R1.3 Cc1cccnn1 PB33649 [2,0,0,0,0,0|2,0,0]=4 356 B7R1.3 Cc1ccncn1 PB17038 [2,0,0,0,0,0|2,0,0]=4 357 B7R1.3 Cc1ccnnc1 PB24546 [2,0,0,0,0,0|2,0,0]=4 358 B7R1.3 c1c(cncn1)N PB12745 [2,0,0,0,0,0|2,0,0]=4 359 B7R1.3 c1cc(cnc1)Br AB00739 [2,0,0,0,0,0|2,0,0]=4 360 B7R1.3 c1cc(cnc1)I AB01382 [2,0,0,0,0,0|2,0,0]=4 361 B7R1.3 c1cc(cnc1)[O-] MB00567 [2,0,0,0,0,0|2,0,0]=4 362 B7R1.3 c1cc(nnc1)N PB17217 [2,0,0,0,0,0|2,0,0]=4 363 B7R1.3 c1ccnc(c1)Br AB00627 [2,0,0,0,0,0|2,0,0]=4 364 B7R1.3 c1cnc(cn1)N PB30528 [2,0,0,0,0,0|2,0,0]=4 365 B7R1.3 c1cnc(nc1)N MB00175 [2,0,0,0,0,0|2,0,0]=4 366 B7R1.3 c1cnccc1Br AB05093 [2,0,0,0,0,0|2,0,0]=4 367 B7R1.3 c1cnccc1I AB10861 [2,0,0,0,0,0|2,0,0]=4 368 B7R1.3 c1cnccc1O PB17041 [2,0,0,0,0,0|2,0,0]=4 369 B7R1.3 c1cncnc1N PB11581 [2,0,0,0,0,0|2,0,0]=4 370 B7R1.3 c1cnncc1N PB29051 [2,0,0,0,0,0|2,0,0]=4 371 B7R1.3 c1cnncc1N PB39062 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.1 C#Cc1ccc(cc1)Cl PB21668 [1,1,0,0,0,0|0,0,2]=4 373 B9R1.1 C1C=C(C=NC1=O)CN PB26360 [1,1,0,0,0,0|1,0,1]=4 374 B9R1.1 CCc1ccc(cn1)N AB63590 [1,1,0,0,0,0|1,0,0]=3 375 B9R1.1 CCc1ccc(cn1)O MB03842 [1,1,0,0,0,0|1,0,0]=3 376 B9R1.1 CCc1ccc(nc1)Br MB10294 [1,1,0,0,0,0|1,0,0]=3 377 B9R1.1 CCc1cnc(cn1)Br AB64001 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.1 CCc1cnc(cn1)Cl AB73111 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.1 CCc1cnc(cn1)N AB60527 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.1 CCc1cnc(nc1)Cl PB27514 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.1 CCc1cnc(nc1)N AB51220 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.1 CCc1ncc(cn1)N PB12017 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.1 CNc1ccc(cn1)Br AB44353 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.1 CNc1ccc(cn1)Cl AB07756 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.1 CNc1ccc(cn1)O AB69733 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.1 CNc1ccc(nc1)Br MB01005 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.1 CNc1ccc(nc1)Cl AB60605 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.1 COc1cc[n+](cc1)[O-] AB00619 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.1 COc1ccc(cn1)Br AB08771 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.1 COc1ccc(cn1)Cl AB23682 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.1 COc1ccc(cn1)F AB13611 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.1 COc1ccc(cn1)N PB27370 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.1 COc1ccc(cn1)O CB10969 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.1 COc1ccc(nc1)Br PB22062 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.1 COc1ccc(nc1)Cl AB25956 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.1 COc1ccc(nc1)F AB66773 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.1 COc1ccc(nc1)I AB11726 [1,1,0,0,0,0|2,0,0]=4 398 B9R1.1 COc1ccc(nc1)N PB14487 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.1 CSc1ccc(cn1)Br AB14151 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.1 CSc1ccc(cn1)O MB25590 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.1 CSc1ccc(nc1)Br MB03440 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.1 Cc1ccc(cn1)CCl AB59938 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.1 Cc1ccc(cn1)CN PB20145 [1,1,0,0,0,0|1,0,0]=3 404 B9R1.1 Cc1ccc(cn1)NN PB15841 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.1 Cc1ccc(cn1)OC AB52739 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.1 Cc1ccc(nc1)CCl AB59994 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.1 Cc1ccc(nc1)CN AB48926 [1,1,0,0,0,0|1,0,0]=3 408 B9R1.1 Cc1ccc(nn1)CN PB19500 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.1 Cc1cnc(cn1)CN PB33936 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.1 Cc1cnc(nc1)CN PB22419 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.1 Cc1ncc(cn1)CN PB14812 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl MB03556 [1,1,0,0,0,0|1,0,1]=4 413 B9R1.1 c1c(cnc(n1)CN)Br PB19414 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.1 c1c(cnc(n1)CN)Cl PB32874 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.1 c1c(cnc(n1)CN)F PB31702 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.1 c1c(cnc(n1)Cl)CN PB34524 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.1 c1c(cnc(n1)N)CN AB58502 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.1 c1c(cnc(n1)O)CN AB58547 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.1 c1c(ncc(n1)Cl)CN AB62419 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.1 c1c[n+](ccc1ON)[O-] AB31589 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.1 c1cc(ccc1CBr)Br AB00113 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [1,1,0,0,0,0|1,0,0]=3 423 B9R1.1 c1cc(ccc1CI)O MB06957 [1,1,0,0,0,0|1,0,0]=3 424 B9R1.1 c1cc(ccc1CN)O AB11678 [1,1,0,0,0,0|0,0,0]=2 425 B9R1.1 c1cc(ncc1Br)CCl AB60010 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.1 c1cc(ncc1Br)CN AB23456 [1,1,0,0,0,0|1,0,0]=3 427 B9R1.1 c1cc(ncc1Br)CO AB66533 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.1 c1cc(ncc1Br)CO PB18645 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.1 c1cc(ncc1CBr)F PB28287 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.1 c1cc(ncc1CCl)Br AB59933 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.1 c1cc(ncc1CCl)Cl AB03513 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.1 c1cc(ncc1CCl)Cl AB59950 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.1 c1cc(ncc1CCl)F PB13291 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.1 c1cc(ncc1CCl)N AB59930 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.1 c1cc(ncc1CN)Br AB27793 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.1 c1cc(ncc1CN)Cl PB17175 [1,1,0,0,0,0|1,0,0]=3 437 B9R1.1 c1cc(ncc1CN)F PB19133 [1,1,0,0,0,0|1,0,0]=3 438 B9R1.1 c1cc(ncc1CO)Br PB14409 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.1 c1cc(ncc1CO)Cl PB17199 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.1 c1cc(ncc1CO)F PB14327 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.1 c1cc(ncc1CO)N PB26211 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.1 c1cc(ncc1Cl)CN AB60187 [1,1,0,0,0,0|1,0,0]=3 444 B9R1.1 c1cc(ncc1Cl)CO AB56068 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.1 c1cc(ncc1F)CCl AB62501 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.1 c1cc(ncc1F)CN AB60189 [1,1,0,0,0,0|1,0,0]=3 447 B9R1.1 c1cc(ncc1F)CO PB22210 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.1 c1cc(ncc1N)CN AB23447 [1,1,0,0,0,0|1,0,0]=3 449 B9R1.1 c1cc(ncc1N)CO AB31872 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.1 c1cc(ncc1O)CN MB14856 [1,1,0,0,0,0|1,0,0]=3 451 B9R1.1 c1cc(nnc1CN)Cl AB61132 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.2 C1C(=CC=NC1=O)CN PB31062 [1,1,0,0,0,0|1,0,1]=4 453 B9R1.2 CCc1cc(ccn1)Br AB63995 [1,1,0,0,0,0|1,0,0]=3 454 B9R1.2 CCc1cc(ccn1)O MB11624 [1,1,0,0,0,0|1,0,0]=3 455 B9R1.2 CCc1cc(cnc1)Br PB34416 [1,1,0,0,0,0|1,0,0]=3 456 B9R1.2 CCc1cc(cnc1)O MB12329 [1,1,0,0,0,0|1,0,0]=3 457 B9R1.2 CCc1cc(ncn1)Br MB09510 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.2 CCc1cc(ncn1)Cl AB51253 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.2 CCc1cc(ncn1)N AB54955 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.2 CCc1cc(ncn1)O AB54953 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.2 CCc1cccc(n1)Br MB10338 [1,1,0,0,0,0|1,0,0]=3 462 B9R1.2 CCc1nccc(n1)Cl AB51249 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.2 CNc1cc(ccn1)Br MB07801 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.2 CNc1cc(ccn1)O MB29569 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.2 CNc1cc(cnc1)Br MB13417 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.2 CNc1cc(cnc1)O MB32689 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.2 CNc1cccc(c1)O MB25493 [1,1,0,0,0,0|1,0,0]=3 468 B9R1.2 CNc1cccc(n1)Br AB50070 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.2 CNc1cccc(n1)Cl AB05190 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.2 CNc1ccnc(c1)Cl AB60612 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.2 COc1cc(ccn1)Br AB44876 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.2 COc1cc(ccn1)Cl AB27571 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.2 COc1cc(ccn1)F AB53299 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.2 COc1cc(ccn1)I MB06098 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.2 COc1cc(ccn1)N PB20942 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.2 COc1cc(ccn1)O MB11972 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.2 COc1cc(cnc1)Br PB24634 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.2 COc1cc(cnc1)Cl AB55073 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.2 COc1cc(cnc1)F AB66777 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.2 COc1cc(cnc1)I AB43793 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.2 COc1cc(cnc1)N PB12653 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.2 COc1cc(cnc1)N PB25488 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.2 COc1cc(cnc1)O AB29711 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.2 COc1cccc(n1)Cl AB00671 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.2 COc1cccc(n1)F AB55818 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.2 COc1cccc(n1)I AB31101 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.2 COc1cccc(n1)N AB21183 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.2 COc1cccc(n1)O AB31854 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.2 COc1ccnc(c1)Br AB23696 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.2 COc1ccnc(c1)Cl AB10868 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.2 COc1ccnc(c1)F AB66367 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.2 COc1ccnc(c1)N AB41933 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.2 CSc1cc(ccn1)Br MB09718 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.2 CSc1cc(ccn1)O MB36936 [1,1,0,0,0,0|2,0,0]=4 495 B9R1.2 CSc1cc(cnc1)Br MB06469 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.2 CSc1cc(cnc1)O MB28894 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.2 CSc1cccc(n1)Br MB07302 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.2 Cc1cc(ccn1)CCl AB59910 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.2 Cc1cc(ccn1)CN AB25370 [1,1,0,0,0,0|1,0,0]=3 500 B9R1.2 Cc1cc(cnc1)CCl AB55820 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.2 Cc1cc(cnc1)CN AB23459 [1,1,0,0,0,0|1,0,0]=3 502 B9R1.2 Cc1cc(cnc1)CO PB10532 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.2 Cc1cc(cnc1)OC AB64998 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.2 Cc1cc(nnc1)CN PB37868 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.2 Cc1cccc(n1)CCl AB49651 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.2 Cc1cccc(n1)CN AB22796 [1,1,0,0,0,0|1,0,0]=3 507 B9R1.2 Cc1cccc(n1)NC AB60602 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.2 Cc1ccnc(c1)CCl AB42303 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.2 Cc1ccnc(c1)CN AB23452 [1,1,0,0,0,0|1,0,0]=3 510 B9R1.2 Cc1ccnc(n1)CN PB16292 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.2 Cc1cncc(n1)CN AB72296 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.2 Cc1nccc(n1)CN AB43194 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.2 c1c(cncc1Br)CCl AB60029 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.2 c1c(cncc1Br)CCl PB25120 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.2 c1c(cncc1Br)CN PB23445 [1,1,0,0,0,0|1,0,0]=3 516 B9R1.2 c1c(cncc1Br)CO PB29242 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.2 c1c(cncc1Cl)CCl AB60038 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.2 c1c(cncc1Cl)CCl PB33259 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.2 c1c(cncc1Cl)CN AB63152 [1,1,0,0,0,0|1,0,0]=3 520 B9R1.2 c1c(cncc1F)CCl PB35002 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.2 c1c(cncc1F)CN PB29533 [1,1,0,0,0,0|1,0,0]=3 522 B9R1.2 c1c(cncc1F)CO PB12255 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.2 c1c(cncc1I)CCl AB45545 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.2 c1c(cncc1I)CO AB45541 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.2 c1c(cncc1N)CN AB31384 [1,1,0,0,0,0|1,0,0]=3 526 B9R1.2 c1c(cncc1N)CO AB31625 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.2 c1c(cncc1O)CN MB28837 [1,1,0,0,0,0|1,0,0]=3 528 B9R1.2 c1c(nc(cn1)Cl)CN PB19729 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.2 c1c(ncnc1N)CN PB30390 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.2 c1cc(c[n+](c1)[O-])CCl AB59951 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [1,1,0,0,0,0|1,0,0]=3 532 B9R1.2 c1cc(cc(c1)Br)NN AB11945 [1,1,0,0,0,0|1,0,0]=3 533 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [1,1,0,0,0,0|1,0,0]=3 534 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [1,1,0,0,0,0|1,0,0]=3 537 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.2 c1cc(nc(c1)Br)NN AB51209 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [1,1,0,0,0,0|1,0,0]=3 541 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [1,1,0,0,0,0|2,0,0]=4 543 B9R1.2 c1cc(nc(c1)F)CN AB66365 [1,1,0,0,0,0|1,0,0]=3 544 B9R1.2 c1cc(nc(c1)I)CO AB42511 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.2 c1cc(nc(c1)N)CO AB53761 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.2 c1cnc(cc1Br)CCl AB67964 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.2 c1cnc(cc1Br)CN PB17414 [1,1,0,0,0,0|1,0,0]=3 548 B9R1.2 c1cnc(cc1Br)CO PB31388 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.2 c1cnc(cc1CCl)Br AB65254 [1,1,0,0,0,0|2,0,0]=4 550 B9R1.2 c1cnc(cc1CCl)Cl AB55687 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.2 c1cnc(cc1CCl)Cl AB59906 [1,1,0,0,0,0|2,0,0]=4 552 B9R1.2 c1cnc(cc1CCl)F AB59901 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.2 c1cnc(cc1CN)Br AB31307 [1,1,0,0,0,0|1,0,0]=3 554 B9R1.2 c1cnc(cc1CN)Cl PB15828 [1,1,0,0,0,0|1,0,0]=3 555 B9R1.2 c1cnc(cc1CN)F AB63132 [1,1,0,0,0,0|1,0,0]=3 556 B9R1.2 c1cnc(cc1CN)F AB63135 [1,1,0,0,0,0|1,0,0]=3 557 B9R1.2 c1cnc(cc1CN)N AB23468 [1,1,0,0,0,0|1,0,0]=3 558 B9R1.2 c1cnc(cc1CO)Br AB17330 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.2 c1cnc(cc1CO)Cl PB21002 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.2 c1cnc(cc1CO)N PB33706 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.2 c1cnc(cc1Cl)CCl AB42295 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.2 c1cnc(cc1Cl)CCl MB05829 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.2 c1cnc(cc1Cl)CN PB27784 [1,1,0,0,0,0|1,0,0]=3 564 B9R1.2 c1cnc(cc1Cl)CO PB23493 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.2 c1cnc(cc1F)CCl AB68051 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.2 c1cnc(cc1F)CN AB65162 [1,1,0,0,0,0|1,0,0]=3 567 B9R1.2 c1cnc(cc1O)CN MB14853 [1,1,0,0,0,0|1,0,0]=3 568 B9R1.2 c1cnc(nc1CN)Cl AB58851 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.2 c1cnc(nc1CN)O PB23029 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.2 c1cnc(nc1Cl)CN AB05129 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.2 c1cnc(nc1N)CN AB62661 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.2 c1cnc(nc1O)CN AB63186 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.6 CC(=O)c1ccccn1 AB00686 [1,1,0,0,0,0|1,0,1]=4 574 B9R1.6 CC(=O)c1cccnc1 AB00750 [1,1,0,0,0,0|1,0,1]=4 575 B9R1.6 CC(=O)c1ccncc1 AB00760 [1,1,0,0,0,0|1,0,1]=4 576 B9R1.6 CC(C)c1ccccn1 PB21659 [1,1,0,0,0,0|1,0,0]=3 577 B9R1.6 CC(c1ccccc1)Cl AB01249 [1,1,0,0,0,0|0,0,0]=2 578 B9R1.6 CC(c1ccccn1)N AB21604 [1,1,0,0,0,0|1,0,0]=3 579 B9R1.6 CC(c1cccnc1)N AB09764 [1,1,0,0,0,0|1,0,0]=3 580 B9R1.6 CC(c1ccncc1)N AB11609 [1,1,0,0,0,0|1,0,0]=3 581 B9R1.6 CC(c1ccncn1)N PB34498 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.6 CC(c1ccnnc1)N PB22705 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.6 CC(c1cnccn1)N PB14922 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.6 CC(c1cncnc1)N PB22435 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.6 CC(c1ncccn1)N AB59468 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [1,1,0,0,0,0|1,0,0]=3 587 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [1,1,0,0,0,0|1,0,0]=3 588 B9R1.6 C[C@@H](c1cncnc1)N PB15383 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.6 C[C@H](c1cccnc1)N AB49734 [1,1,0,0,0,0|1,0,0]=3 590 B9R1.6 C[C@H](c1ccncc1)N AB49745 [1,1,0,0,0,0|1,0,0]=3 591 B9R1.6 C[C@H](c1cncnc1)N PB28768 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.6 c1cc(cnc1)C(F)F AB64034 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [1,1,0,0,0,0|0,0,1]=3 594 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [1,1,0,0,0,0|1,0,1]=4 595 B9R1.6 c1ccnc(c1)C(=S)N AB03215 [1,1,0,0,0,0|1,0,1]=4 596 B9R1.6 c1ccnc(c1)C(F)F AB64042 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.6 c1cnccc1C(=N)N MB02852 [1,1,0,0,0,0|1,0,1]=4 598 B9R1.6 c1cnccc1C(=S)N AB00764 [1,1,0,0,0,0|1,0,1]=4 599 B9R1.15 C#Cc1ccccc1Br AB10375 [1,1,0,0,0,0|0,0,2]=4 600 B9R1.15 CCc1c(cccn1)Br AB68544 [1,1,0,0,0,0|1,0,0]=3 601 B9R1.15 CCc1c(cccn1)O MB01433 [1,1,0,0,0,0|1,0,0]=3 602 B9R1.15 CCc1c(cncn1)F PB21906 [1,1,0,0,0,0|2,0,0]=4 603 B9R1.15 CCc1ccncc1O MB12325 [1,1,0,0,0,0|1,0,0]=3 604 B9R1.15 CCc1cnccc1Br PB37149 [1,1,0,0,0,0|1,0,0]=3 605 B9R1.15 CCc1cnccc1O MB24095 [1,1,0,0,0,0|1,0,0]=3 606 B9R1.15 CCc1cncnc1Cl AB62552 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.15 CNc1cccnc1Br AB39252 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.15 CNc1ccncc1O MB27525 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.15 CNc1cnccc1O MB29366 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.15 COc1c(cccn1)Br PB20024 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.15 COc1c(cccn1)Cl AB13603 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.15 COc1c(cccn1)F AB13397 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.15 COc1c(cccn1)I AB13400 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.15 COc1c(cccn1)N AB07386 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.15 COc1c(cccn1)O AB06074 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.15 COc1cccnc1Br PB29151 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.15 COc1cccnc1Cl AB14749 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.15 COc1cccnc1I AB05182 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.15 COc1cccnc1N AB40614 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.15 COc1cccnc1O AB43293 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.15 COc1ccncc1Br AB22230 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.15 COc1ccncc1Cl AB51203 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.15 COc1ccncc1F AB66775 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.15 COc1ccncc1I AB09106 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.15 COc1ccncc1N AB40817 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.15 COc1ccncc1O MB09117 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.15 COc1cnccc1Br AB43705 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.15 COc1cnccc1Br MB09674 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.15 COc1cnccc1Cl AB66368 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.15 COc1cnccc1F AB66590 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.15 COc1cnccc1N AB55709 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.15 COc1cnccc1O MB25455 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.15 CSc1c(cccn1)O MB01598 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.15 CSc1cccnc1Br MB13966 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.15 CSc1ccncc1O MB25632 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.15 CSc1cnccc1O MB31499 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.15 Cc1c(cccn1)CBr PB19196 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.15 Cc1c(cccn1)CCl AB51469 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.15 Cc1c(cccn1)CCl PB28159 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.15 Cc1c(cccn1)CN AB14093 [1,1,0,0,0,0|1,0,0]=3 641 B9R1.15 Cc1c(cccn1)CO AB01512 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.15 Cc1c(cccn1)OC AB03569 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.15 Cc1c(nccn1)CN PB38635 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.15 Cc1cccnc1CCl PB32645 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.15 Cc1cccnc1CN AB20671 [1,1,0,0,0,0|1,0,0]=3 646 B9R1.15 Cc1cccnc1CO AB12590 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.15 Cc1cccnc1OC AB31414 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.15 Cc1ccncc1CCl PB22427 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.15 Cc1ccncc1CN PB14440 [1,1,0,0,0,0|1,0,0]=3 650 B9R1.15 Cc1ccncc1CO PB21746 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.15 Cc1ccnnc1CN PB36913 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.15 Cc1cnccc1CCl PB24122 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.15 Cc1cnccc1CN AB17090 [1,1,0,0,0,0|1,0,0]=3 654 B9R1.15 Cc1cnccc1CO PB32359 [1,1,0,0,0,0|2,0,0]=4 655 B9R1.15 Cc1cnncc1CN PB36093 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.15 c1cc(c(nc1)Br)CBr MB06085 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.15 c1cc(c(nc1)Br)CCl AB60077 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [1,1,0,0,0,0|1,0,0]=3 659 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [1,1,0,0,0,0|2,0,0]=4 665 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [1,1,0,0,0,0|1,0,0]=3 666 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [1,1,0,0,0,0|1,0,0]=3 667 B9R1.15 c1cc(c(nc1)CN)F AB55320 [1,1,0,0,0,0|1,0,0]=3 668 B9R1.15 c1cc(c(nc1)CN)F PB13118 [1,1,0,0,0,0|1,0,0]=3 669 B9R1.15 c1cc(c(nc1)CN)N AB48448 [1,1,0,0,0,0|1,0,0]=3 670 B9R1.15 c1cc(c(nc1)CN)O MB01728 [1,1,0,0,0,0|1,0,0]=3 671 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.15 c1cc(c(nc1)CO)F PB22208 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.15 c1cc(c(nc1)CO)N AB31896 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.15 c1cc(c(nc1)CO)O MB00702 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.15 c1cc(c(nc1)F)CCl AB60073 [1,1,0,0,0,0|2,0,0]=4 678 B9R1.15 c1cc(c(nc1)F)CN AB23466 [1,1,0,0,0,0|1,0,0]=3 679 B9R1.15 c1cc(c(nc1)N)CCl AB21190 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.15 c1cc(c(nc1)N)CO PB32383 [1,1,0,0,0,0|2,0,0]=4 681 B9R1.15 c1cc(c(nc1)NN)Br MB01287 [1,1,0,0,0,0|2,0,0]=4 682 B9R1.15 c1cc(c(nc1)O)CO AB52938 [1,1,0,0,0,0|2,0,0]=4 683 B9R1.15 c1cc[n+](c(c1)CCl)[O-] AB59958 [1,1,0,0,0,0|2,0,0]=4 684 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [1,1,0,0,0,0|1,0,1]=4 685 B9R1.15 c1ccc(c(c1)CI)O MB07048 [1,1,0,0,0,0|1,0,0]=3 686 B9R1.15 c1ccc(c(c1)CN)O MB01565 [1,1,0,0,0,0|0,0,0]=2 687 B9R1.15 c1cn[nH]c(=O)c1CN PB11396 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.15 c1cnc(c(n1)CN)Cl PB12787 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.15 c1cnc(c(n1)CN)N AB53146 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.15 c1cncc(c1Br)CCl AB67965 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.15 c1cncc(c1Br)CN AB67954 [1,1,0,0,0,0|1,0,0]=3 692 B9R1.15 c1cncc(c1CCl)Br AB67648 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.15 c1cncc(c1CCl)Cl AB67608 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.15 c1cncc(c1CCl)F AB67665 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.15 c1cncc(c1CN)Br AB63141 [1,1,0,0,0,0|1,0,0]=3 696 B9R1.15 c1cncc(c1CN)Cl AB63139 [1,1,0,0,0,0|1,0,0]=3 697 B9R1.15 c1cncc(c1CN)F AB63136 [1,1,0,0,0,0|1,0,0]=3 698 B9R1.15 c1cncc(c1CN)N AB49287 [1,1,0,0,0,0|1,0,0]=3 699 B9R1.15 c1cncc(c1CN)O MB09249 [1,1,0,0,0,0|1,0,0]=3 700 B9R1.15 c1cncc(c1CO)Br PB19192 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.15 c1cncc(c1CO)F PB29849 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.15 c1cncc(c1CO)N AB25787 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.15 c1cncc(c1Cl)CCl AB60091 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.15 c1cncc(c1Cl)CN AB49675 [1,1,0,0,0,0|1,0,0]=3 705 B9R1.15 c1cncc(c1F)CCl AB68054 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.15 c1cncc(c1F)CN AB68023 [1,1,0,0,0,0|1,0,0]=3 707 B9R1.15 c1cncc(c1N)CCl AB31893 [1,1,0,0,0,0|2,0,0]=4 708 B9R1.15 c1cncc(c1N)CO PB14435 [1,1,0,0,0,0|2,0,0]=4 709 B9R1.15 c1cncc(c1O)CN MB35531 [1,1,0,0,0,0|1,0,0]=3 710 B9R1.7 Cc1[nH]c(cn1)CCN AB76713 [0,1,0,0,1,0|2,0,0]=4 711 B9R1.7 Cc1csc(n1)CCN AB21609 [0,1,0,0,1,0|2,0,0]=4 712 B9R1.7 Cn1cc(cn1)CCN AB45456 [0,1,0,0,1,0|2,0,0]=4 713 B9R1.7 c1c(csc1Cl)CNN PB36540 [0,1,0,0,1,0|2,0,0]=4 714 B9R1.7 c1cc(sc1CCN)Br AB18531 [0,1,0,0,1,0|1,0,0]=3 715 B9R1.7 c1cc(sc1CCN)Cl MB05588 [0,1,0,0,1,0|1,0,0]=3 716 B9R1.7 c1cc(sc1CNN)Cl PB15933 [0,1,0,0,1,0|2,0,0]=4 717 B9R1.11 c1cc(sc1)C(CO)N PB33213 [0,1,0,0,1,0|2,0,0]=4 718 B9R1.12 CNCCc1cccs1 AB18501 [0,1,0,0,1,0|1,0,0]=3 719 B9R1.12 CNCCn1cccn1 AB48422 [0,1,0,0,1,0|2,0,0]=4 720 B9R1.12 c1ccn(c1)CCCBr MB00854 [0,1,0,0,1,0|2,0,0]=4 721 B9R1.33 Cc1c(scn1)CCN AB43197 [0,1,0,0,1,0|2,0,0]=4 722 B9R1.33 Cn1ccnc1CCN AB26757 [0,1,0,0,1,0|2,0,0]=4 723 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [0,2,0,0,0,0|0,0,0]=2 724 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [0,2,0,0,0,0|0,0,0]=2 725 B11R1.1 CNCCc1ccc(cc1)F AB27731 [0,2,0,0,0,0|0,0,0]=2 726 B11R1.1 CNCCc1ccc(cc1)N AB27726 [0,2,0,0,0,0|0,0,0]=2 727 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [0,2,0,0,0,0|1,0,0]=3 728 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [0,2,0,0,0,0|0,0,0]=2 729 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [0,2,0,0,0,0|0,0,0]=2 730 B11R1.1 Cc1ccc(cn1)CCCN AB66947 [0,2,0,0,0,0|1,0,0]=3 731 B11R1.1 Cc1cnc(cn1)CCCN AB69908 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.1 c1c(ncc(n1)Cl)CCCN AB69913 [0,2,0,0,0,0|2,0,0]=4 733 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [0,2,0,0,0,0|1,0,0]=3 734 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [0,2,0,0,0,0|1,0,0]=3 735 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [0,2,0,0,0,0|1,0,0]=3 736 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [0,2,0,0,0,0|1,0,0]=3 737 B11R1.1 c1cc(ccc1CCCN)Br AB23350 [0,2,0,0,0,0|0,0,0]=2 738 B11R1.1 c1cc(ccc1CCCN)Cl AB23351 [0,2,0,0,0,0|0,0,0]=2 739 B11R1.1 c1cc(ccc1CCCN)F AB38689 [0,2,0,0,0,0|0,0,0]=2 740 B11R1.1 c1cc(ccc1CCCN)F AB66835 [0,2,0,0,0,0|0,0,0]=2 741 B11R1.1 c1cc(ccc1CCCN)N AB51238 [0,2,0,0,0,0|0,0,0]=2 742 B11R1.1 c1cc(ccc1CCCN)O AB07598 [0,2,0,0,0,0|0,0,0]=2 743 B11R1.1 c1cc(ccc1CCCO)Br CB11205 [0,2,0,0,0,0|1,0,0]=3 744 B11R1.1 c1cc(ccc1OCC#N)Cl PB28971 [0,2,0,0,0,0|0,0,2]=4 745 B11R1.1 c1cc(ccc1OCCCl)Cl AB13874 [0,2,0,0,0,0|1,0,0]=3 746 B11R1.1 c1cc(ncc1CCCN)Br AB55119 [0,2,0,0,0,0|1,0,0]=3 747 B11R1.1 c1cc(ncc1CCCN)Cl AB55114 [0,2,0,0,0,0|1,0,0]=3 748 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [0,2,0,0,0,0|2,0,0]=4 749 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [0,2,0,0,0,0|0,0,0]=2 750 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [0,2,0,0,0,0|0,0,0]=2 751 B11R1.20 CN(C)Cc1ccc(cc1)Br AB01531 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.20 CN(C)Cc1ccc(cc1)N AB01571 [0,2,0,0,0,0|2,0,0]=4 753 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [0,2,0,0,0,0|0,0,0]=2 754 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [0,2,0,0,0,0|0,0,0]=2 755 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [0,2,0,0,0,0|0,0,0]=2 756 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [0,2,0,0,0,0|0,0,0]=2 757 B11R1.20 Cc1ccc(cc1)CC(=N)N AB29086 [0,2,0,0,0,0|0,0,1]=3 758 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [0,2,0,0,0,0|0,0,0]=2 759 B11R1.20 c1cc(ccc1CC(=N)N)Br AB48908 [0,2,0,0,0,0|0,0,1]=3 760 B11R1.20 c1cc(ccc1CC(=N)N)Cl AB29080 [0,2,0,0,0,0|0,0,1]=3 761 B11R1.20 c1cc(ccc1CC(=N)N)F AB29082 [0,2,0,0,0,0|0,0,1]=3 762 B11R1.20 c1cc(ccc1CC(=O)O)Br AB00367 [0,2,0,0,0,0|1,0,1]=4 763 B11R1.20 c1cc(ccc1N=C(N)N)Cl AB04678 [0,2,0,0,0,0|1,0,1]=4 764 B11R1.22 C[C@@H](CN)c1ccc(cc1)Br AB85104 [0,2,0,0,0,0|0,0,0]=2 765 B11R1.22 C[C@H](CN)c1ccc(cc1)Br AB85095 [0,2,0,0,0,0|0,0,0]=2 766 B11R1.22 C[C@H](CN)c1ccc(cc1)F AB85098 [0,2,0,0,0,0|0,0,0]=2 767 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [0,2,0,0,0,0|0,0,1]=3 768 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [0,2,0,0,0,0|1,0,1]=4 769 B11R1.81 CNCc1ccc(cc1Cl)Cl PB15788 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.81 Cc1c(ccc(n1)Cl)CCN AB85389 [0,2,0,0,0,0|1,0,0]=3 771 B11R1.81 Cc1cc(c(cn1)CCN)Cl AB83329 [0,2,0,0,0,0|1,0,0]=3 772 B11R1.81 Cc1cc(c(cn1)CCN)F AB83049 [0,2,0,0,0,0|1,0,0]=3 773 B11R1.81 Cc1cc(c(nc1)CCN)C AB65484 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.81 Cc1cc(c(nc1)CCN)Cl AB83243 [0,2,0,0,0,0|1,0,0]=3 775 B11R1.81 Cc1cc(c(nc1)CCN)F AB76359 [0,2,0,0,0,0|1,0,0]=3 776 B11R1.81 Cc1cc(cnc1CCN)Cl AB83241 [0,2,0,0,0,0|1,0,0]=3 777 B11R1.81 Cc1cc(cnc1CCN)F AB82903 [0,2,0,0,0,0|1,0,0]=3 778 B11R1.81 Cc1cc(ncc1CCN)C AB82577 [0,2,0,0,0,0|1,0,0]=3 779 B11R1.81 Cc1cc(ncc1CCN)Cl AB83351 [0,2,0,0,0,0|1,0,0]=3 780 B11R1.81 Cc1cc(ncc1CCN)F AB83069 [0,2,0,0,0,0|1,0,0]=3 781 B11R1.81 c1c(c(cnc1F)CCN)Cl AB83191 [0,2,0,0,0,0|1,0,0]=3 782 B11R1.81 c1c(cnc(c1Cl)CCN)F AB83122 [0,2,0,0,0,0|1,0,0]=3 783 B11R1.81 c1c(cnc(c1F)CCN)Cl AB83116 [0,2,0,0,0,0|1,0,0]=3 784 B11R1.81 c1cc(c(cc1Cl)Cl)CNN PB13051 [0,2,0,0,0,0|1,0,0]=3 785 B11R1.81 c1cc(c(cc1F)Cl)CNN PB17475 [0,2,0,0,0,0|1,0,0]=3 786 B11R1.81 c1cc(c(cc1N)Cl)CC#N AB44259 [0,2,0,0,0,0|0,0,2]=4 787 B11R1.83 C#CCc1ccc(cc1)C#N AB73218 [0,2,0,0,0,0|1,0,1]=4 788 B11R1.83 C#CCc1ccc(cc1)C=O AB61406 [0,2,0,0,0,0|1,0,1]=4 789 B11R1.83 CCCc1ccc(cc1)NN AB23596 [0,2,0,0,0,0|1,0,0]=3 790 B11R1.83 CCCc1ccc(cn1)C#N AB28605 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.83 COc1ccc(cc1)CC#C AB61379 [0,2,0,0,0,0|1,0,1]=4 792 B11R1.83 COc1ccc(cc1)CC=O AB11810 [0,2,0,0,0,0|1,0,1]=4 793 B11R1.83 COc1ccc(cc1)CCO AB00284 [0,2,0,0,0,0|1,0,0]=3 794 B11R1.83 COc1ccc(cc1)CNN PB19937 [0,2,0,0,0,0|1,0,0]=3 795 B11R1.83 COc1ccc(cn1)CCBr AB72327 [0,2,0,0,0,0|2,0,0]=4 796 B11R1.83 COc1ccc(cn1)CCN AB45430 [0,2,0,0,0,0|1,0,0]=3 797 B11R1.83 COc1ccc(nc1)CCBr AB73197 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.83 COc1ccc(nc1)CCN AB65488 [0,2,0,0,0,0|1,0,0]=3 799 B11R1.83 COc1cnc(cn1)CCN AB69885 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.83 COc1cnc(nc1)CCN AB59266 [0,2,0,0,0,0|2,0,0]=4 801 B11R1.83 COc1ncc(cn1)CCN AB63247 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.83 CSc1ncc(cn1)CCN AB59369 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.83 c1c(cnc(n1)CCN)C=O AB63291 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.83 c1cc(ccc1CCN)CO AB30409 [0,2,0,0,0,0|0,0,0]=2 805 B11R1.83 c1cc(ccc1CCO)C#N CB10174 [0,2,0,0,0,0|1,0,0]=3 806 B11R1.83 c1cc(ncc1C#N)CCN AB67733 [0,2,0,0,0,0|1,0,0]=3 807 B11R1.83 c1cc(ncc1CCN)C#N AB67410 [0,2,0,0,0,0|1,0,0]=3 808 B11R1.192 CCOc1ccc(c(c1)F)N AB09444 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.192 Cc1c(cc(cn1)CCN)Cl AB83313 [0,2,0,0,0,0|1,0,0]=3 810 B11R1.192 Cc1c(cc(cn1)CCN)F AB83027 [0,2,0,0,0,0|1,0,0]=3 811 B11R1.192 Cc1c(ccc(n1)CCN)Cl AB83323 [0,2,0,0,0,0|1,0,0]=3 812 B11R1.192 Cc1c(ccc(n1)CCN)F AB55176 [0,2,0,0,0,0|1,0,0]=3 813 B11R1.192 Cc1cc(cnc1C)CCN AB82569 [0,2,0,0,0,0|1,0,0]=3 814 B11R1.192 Cc1cc(cnc1Cl)CCN AB83362 [0,2,0,0,0,0|1,0,0]=3 815 B11R1.192 Cc1cc(cnc1F)CCN AB55181 [0,2,0,0,0,0|1,0,0]=3 816 B11R1.192 Cc1cc(ncc1Br)CCN AB41181 [0,2,0,0,0,0|1,0,0]=3 817 B11R1.192 Cc1cc(ncc1C)CCN AB65480 [0,2,0,0,0,0|1,0,0]=3 818 B11R1.192 Cc1cc(ncc1Cl)CCN AB41187 [0,2,0,0,0,0|1,0,0]=3 819 B11R1.192 Cc1ccc(nc1C)CCN AB65477 [0,2,0,0,0,0|1,0,0]=3 820 B11R1.192 Cc1ccc(nc1Cl)CCN AB83357 [0,2,0,0,0,0|1,0,0]=3 821 B11R1.192 Cc1ccc(nc1F)CCN AB83081 [0,2,0,0,0,0|1,0,0]=3 822 B11R1.192 Cc1cnc(cc1Cl)CCN AB83280 [0,2,0,0,0,0|1,0,0]=3 823 B11R1.192 Cc1cnc(cc1F)CCN AB82959 [0,2,0,0,0,0|1,0,0]=3 824 B11R1.192 Cc1cnc(nc1Cl)CCN AB63272 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.192 c1c(cnc(c1Cl)F)CCN AB83170 [0,2,0,0,0,0|1,0,0]=3 826 B11R1.192 c1c(cnc(c1Cl)O)CCN AB84072 [0,2,0,0,0,0|1,0,0]=3 827 B11R1.192 c1c(cnc(c1F)Cl)CCN AB83221 [0,2,0,0,0,0|1,0,0]=3 828 B11R1.192 c1c(cnc(c1O)Cl)CCN AB84106 [0,2,0,0,0,0|1,0,0]=3 829 B11R1.192 c1c(ncc(c1Cl)Cl)CCN AB70219 [0,2,0,0,0,0|1,0,0]=3 830 B11R1.192 c1c(ncc(c1Cl)F)CCN AB83159 [0,2,0,0,0,0|1,0,0]=3 831 B11R1.192 c1c(ncc(c1Cl)O)CCN AB84016 [0,2,0,0,0,0|1,0,0]=3 832 B11R1.192 c1c(ncc(c1F)Cl)CCN AB82991 [0,2,0,0,0,0|1,0,0]=3 833 B11R1.192 c1c(ncc(c1N)Cl)CCN AB83920 [0,2,0,0,0,0|1,0,0]=3 834 B11R1.192 c1c(ncc(c1O)Cl)CCN AB84047 [0,2,0,0,0,0|1,0,0]=3 835 B11R1.192 c1cc(c(nc1CCN)Cl)F AB83216 [0,2,0,0,0,0|1,0,0]=3 836 B11R1.192 c1cc(c(nc1CCN)Cl)O AB84098 [0,2,0,0,0,0|1,0,0]=3 837 B11R1.192 c1cc(c(nc1CCN)F)Cl AB83176 [0,2,0,0,0,0|1,0,0]=3 838 B11R1.192 c1cc(c(nc1CCN)O)Cl AB84087 [0,2,0,0,0,0|1,0,0]=3 839 B11R1.13 C=CCc1cccc(c1O)N MB13698 [0,2,0,0,0,0|1,0,1]=4 840 B11R1.13 Cc1c(c(ccn1)CCN)Cl AB83309 [0,2,0,0,0,0|1,0,0]=3 841 B11R1.13 Cc1c(ccnc1CCN)Cl AB83260 [0,2,0,0,0,0|1,0,0]=3 842 B11R1.13 Cc1c(ccnc1CCN)F AB82931 [0,2,0,0,0,0|1,0,0]=3 843 B11R1.13 Cc1c(ccnc1Cl)CCN AB83367 [0,2,0,0,0,0|1,0,0]=3 844 B11R1.13 Cc1c(ccnc1F)CCN AB82857 [0,2,0,0,0,0|1,0,0]=3 845 B11R1.13 Cc1c(cncc1Cl)CCN AB83292 [0,2,0,0,0,0|1,0,0]=3 846 B11R1.13 Cc1c(nccc1CCN)C AB82525 [0,2,0,0,0,0|1,0,0]=3 847 B11R1.13 Cc1ccnc(c1C)CCN AB82520 [0,2,0,0,0,0|1,0,0]=3 848 B11R1.13 Cc1ccnc(c1Cl)CCN AB83303 [0,2,0,0,0,0|1,0,0]=3 849 B11R1.13 Cc1cncc(c1C)CCN AB82560 [0,2,0,0,0,0|1,0,0]=3 850 B11R1.13 Cc1cncc(c1Cl)CCN AB83272 [0,2,0,0,0,0|1,0,0]=3 851 B11R1.13 Cc1cncc(c1F)CCN AB82944 [0,2,0,0,0,0|1,0,0]=3 852 B11R1.13 c1c(c(c(cn1)Cl)F)CCN AB82977 [0,2,0,0,0,0|1,0,0]=3 853 B11R1.13 c1c(c(c(cn1)Cl)O)CCN AB84034 [0,2,0,0,0,0|1,0,0]=3 854 B11R1.13 c1c(c(c(cn1)F)Cl)CCN AB83150 [0,2,0,0,0,0|1,0,0]=3 855 B11R1.13 c1c(c(c(cn1)O)Cl)CCN AB84001 [0,2,0,0,0,0|1,0,0]=3 856 B11R1.13 c1cnc(c(c1CCN)Cl)F AB83163 [0,2,0,0,0,0|1,0,0]=3 857 B11R1.13 c1cnc(c(c1CCN)Cl)N AB83940 [0,2,0,0,0,0|1,0,0]=3 858 B11R1.13 c1cnc(c(c1CCN)F)Cl AB83223 [0,2,0,0,0,0|1,0,0]=3 859 B11R1.13 c1cnc(c(c1CCN)N)Cl AB83978 [0,2,0,0,0,0|1,0,0]=3 860 B11R1.13 c1cnc(c(c1CCN)O)Cl AB84113 [0,2,0,0,0,0|1,0,0]=3 861 B11R1.13 c1cnc(c(c1Cl)F)CCN AB83139 [0,2,0,0,0,0|1,0,0]=3 862 B11R1.13 c1cnc(c(c1Cl)N)CCN AB83872 [0,2,0,0,0,0|1,0,0]=3 863 B11R1.13 c1cnc(c(c1Cl)O)CCN AB83986 [0,2,0,0,0,0|1,0,0]=3 864 B11R1.13 c1cnc(c(c1F)Cl)CCN AB83008 [0,2,0,0,0,0|1,0,0]=3 865 B11R1.13 c1cnc(c(c1N)Cl)CCN AB83929 [0,2,0,0,0,0|1,0,0]=3 866 B11R1.13 c1cnc(c(c1O)Cl)CCN AB84057 [0,2,0,0,0,0|1,0,0]=3 867 B11R1.17 Cc1c(cccn1)CCCN AB66944 [0,2,0,0,0,0|1,0,0]=3 868 B11R1.17 Cc1ccccc1CCC=O AB42260 [0,2,0,0,0,0|1,0,0]=3 869 B11R1.17 Cc1ccccc1CCCN AB38679 [0,2,0,0,0,0|0,0,0]=2 870 B11R1.17 Cc1ccncc1CCCN AB67853 [0,2,0,0,0,0|1,0,0]=3 871 B11R1.17 c1cc(c(nc1)Br)CCCN AB55123 [0,2,0,0,0,0|1,0,0]=3 872 B11R1.17 c1cc(c(nc1)Cl)CCCN AB55105 [0,2,0,0,0,0|1,0,0]=3 873 B11R1.17 c1ccc(c(c1)CCC=O)Br AB49228 [0,2,0,0,0,0|1,0,0]=3 874 B11R1.17 c1ccc(c(c1)CCC=O)Cl AB42271 [0,2,0,0,0,0|1,0,0]=3 875 B11R1.17 c1ccc(c(c1)CCC=O)F AB49232 [0,2,0,0,0,0|1,0,0]=3 876 B11R1.17 c1ccc(c(c1)CCCN)Br AB38695 [0,2,0,0,0,0|0,0,0]=2 877 B11R1.17 c1ccc(c(c1)CCCN)Cl AB23306 [0,2,0,0,0,0|0,0,0]=2 878 B11R1.17 c1ccc(c(c1)CCCN)F AB38684 [0,2,0,0,0,0|0,0,0]=2 879 B11R1.17 c1cncc(c1Cl)CCCN AB68003 [0,2,0,0,0,0|1,0,0]=3 880 B11R1.17 c1cncc(c1F)CCCN AB68073 [0,2,0,0,0,0|1,0,0]=3 881 B11R1.41 CCCc1c(cccn1)C#N AB28607 [0,2,0,0,0,0|2,0,0]=4 882 B11R1.41 CCCc1ccccc1NN AB27885 [0,2,0,0,0,0|1,0,0]=3 883 B11R1.41 COc1c(cccn1)CCN AB45444 [0,2,0,0,0,0|1,0,0]=3 884 B11R1.41 COc1ccccc1CC=O AB02842 [0,2,0,0,0,0|1,0,1]=4 885 B11R1.41 COc1ccccc1CNN PB34218 [0,2,0,0,0,0|1,0,0]=3 886 B11R1.41 COc1ccncc1CCN AB45493 [0,2,0,0,0,0|1,0,0]=3 887 B11R1.41 COc1cnccc1CCN AB67567 [0,2,0,0,0,0|1,0,0]=3 888 B11R1.41 c1cncc(c1C#N)CCN AB68138 [0,2,0,0,0,0|1,0,0]=3 889 B11R1.86 CC(Cc1ccccc1Br)N MB08211 [0,2,0,0,0,0|0,0,0]=2 890 B11R1.86 CC(Cc1ccccc1Cl)N MB06204 [0,2,0,0,0,0|0,0,0]=2 891 B11R1.86 CN(C)Cc1ccccc1Br AB01037 [0,2,0,0,0,0|2,0,0]=4 892 B11R1.86 CN(C)Cc1ccccc1N AB01574 [0,2,0,0,0,0|2,0,0]=4 893 B11R1.86 Cc1ccccc1CC(C)N MB01550 [0,2,0,0,0,0|0,0,0]=2 894 B11R1.86 c1ccc(c(c1)CC(=N)N)Cl AB60879 [0,2,0,0,0,0|0,0,1]=3 895 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F AB16515 [0,2,0,0,0,0|1,0,1]=4 896 B11R1.86 c1ccc(c(c1)CC(=O)N)N AB26281 [0,2,0,0,0,0|0,0,1]=3 897 B11R1.86 c1ccc(c(c1)CC(=O)O)N AB15776 [0,2,0,0,0,0|1,0,1]=4 898 B11R1.86 c1ccc(c(c1)NC(=O)N)Br CB10141 [0,2,0,0,0,0|1,0,1]=4 899 B11R1.182 CCOc1cc(ccc1N)F AB20299 [0,2,0,0,0,0|2,0,0]=4 900 B11R1.182 Cc1cc(c(cn1)C)CCN AB82532 [0,2,0,0,0,0|1,0,0]=3 901 B11R1.182 Cc1cc(c(nc1)C)CCN AB82544 [0,2,0,0,0,0|1,0,0]=3 902 B11R1.182 Cc1cc(c(nc1)Cl)CCN AB83239 [0,2,0,0,0,0|1,0,0]=3 903 B11R1.182 Cc1cc(c(nc1)F)CCN AB55183 [0,2,0,0,0,0|1,0,0]=3 904 B11R1.182 Cc1ccc(nc1CCN)C AB65479 [0,2,0,0,0,0|1,0,0]=3 905 B11R1.182 Cc1ccc(nc1CCN)Cl AB83233 [0,2,0,0,0,0|1,0,0]=3 906 B11R1.182 Cc1ccc(nc1CCN)F AB82893 [0,2,0,0,0,0|1,0,0]=3 907 B11R1.182 Cc1cnc(cc1CCN)Cl AB83226 [0,2,0,0,0,0|1,0,0]=3 908 B11R1.182 Cc1cnc(cc1CCN)F AB82871 [0,2,0,0,0,0|1,0,0]=3 909 B11R1.182 c1c(c(cnc1Cl)F)CCN AB83094 [0,2,0,0,0,0|1,0,0]=3 910 B11R1.182 c1c(c(nnc1Cl)Cl)CCN AB72248 [0,2,0,0,0,0|2,0,0]=4 911 B11R1.182 c1c(cnc(c1CCN)Cl)F AB83111 [0,2,0,0,0,0|1,0,0]=3 912 B11R1.182 c1cc(nc(c1F)CCN)Cl AB83105 [0,2,0,0,0,0|1,0,0]=3 913 B11R1.222 CCC(=O)c1ccccc1F MB00205 [0,2,0,0,0,0|1,0,1]=4 914 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [0,2,0,0,0,0|1,0,1]=4 915 B11R1.605 Cc1c(c(ccn1)Cl)CCN AB83338 [0,2,0,0,0,0|1,0,0]=3 916 B11R1.605 Cc1c(c(ccn1)F)CCN AB83021 [0,2,0,0,0,0|1,0,0]=3 917 B11R1.605 Cc1ccnc(c1CCN)C AB82522 [0,2,0,0,0,0|1,0,0]=3 918 B11R1.605 Cc1ccnc(c1CCN)Cl AB83345 [0,2,0,0,0,0|1,0,0]=3 919 B11R1.605 Cc1ccnc(c1CCN)F AB83058 [0,2,0,0,0,0|1,0,0]=3 920 B11R1.605 Cc1cncc(c1CCN)C AB76699 [0,2,0,0,0,0|1,0,0]=3 921 B11R1.605 Cc1cncc(c1CCN)Cl AB83254 [0,2,0,0,0,0|1,0,0]=3 922 B11R1.605 Cc1cncc(c1CCN)F AB82916 [0,2,0,0,0,0|1,0,0]=3 923 B11R1.605 c1c(c(c(cn1)Cl)CCN)F AB83129 [0,2,0,0,0,0|1,0,0]=3 924 B11R1.605 c1cc(c(c(c1)Br)CC#N)F MB09725 [0,2,0,0,0,0|0,0,2]=4 925 B11R1.605 c1cnc(c(c1Cl)CCN)F AB83206 [0,2,0,0,0,0|1,0,0]=3 926 B11R1.23 C[C@@H](CN)c1cccc(c1)Br AB85102 [0,2,0,0,0,0|0,0,0]=2 927 B11R1.23 C[C@H](CN)c1cccc(c1)Br AB85093 [0,2,0,0,0,0|0,0,0]=2 928 B11R1.23 c1cc(cc(c1)N)C(=O)CBr AB27803 [0,2,0,0,0,0|1,0,1]=4 929 B11R1.24 CCCOc1cccc(n1)Br AB05235 [0,2,0,0,0,0|2,0,0]=4 930 B11R1.24 CNCCc1cccc(c1)Cl AB27739 [0,2,0,0,0,0|0,0,0]=2 931 B11R1.24 COCOc1cccc(c1)Br AB72137 [0,2,0,0,0,0|2,0,0]=4 932 B11R1.24 Cc1cc(ccn1)CCCN AB55133 [0,2,0,0,0,0|1,0,0]=3 933 B11R1.24 Cc1cccc(c1)CCC=O AB42263 [0,2,0,0,0,0|1,0,0]=3 934 B11R1.24 Cc1cccc(c1)CCCN AB38680 [0,2,0,0,0,0|0,0,0]=2 935 B11R1.24 Cc1cccc(c1)CCNC AB27735 [0,2,0,0,0,0|0,0,0]=2 936 B11R1.24 Cc1cccc(n1)CCCN AB55096 [0,2,0,0,0,0|1,0,0]=3 937 B11R1.24 Cc1ccnc(c1)CCCN AB55132 [0,2,0,0,0,0|1,0,0]=3 938 B11R1.24 c1cc(cc(c1)Br)CCC=O AB49239 [0,2,0,0,0,0|1,0,0]=3 939 B11R1.24 c1cc(cc(c1)Br)CCCN AB23346 [0,2,0,0,0,0|0,0,0]=2 940 B11R1.24 c1cc(cc(c1)Cl)CCC=O AB42275 [0,2,0,0,0,0|1,0,0]=3 941 B11R1.24 c1cc(cc(c1)Cl)CCCN AB38690 [0,2,0,0,0,0|0,0,0]=2 942 B11R1.24 c1cc(cc(c1)F)CCC=O AB43534 [0,2,0,0,0,0|1,0,0]=3 943 B11R1.24 c1cc(cc(c1)F)CCCN AB38688 [0,2,0,0,0,0|0,0,0]=2 944 B11R1.24 c1cc(nc(c1)Br)CCCN AB55110 [0,2,0,0,0,0|1,0,0]=3 945 B11R1.24 c1cc(nc(c1)Cl)CCCN AB67357 [0,2,0,0,0,0|1,0,0]=3 946 B11R1.24 c1cnc(cc1Br)CCCN AB67970 [0,2,0,0,0,0|1,0,0]=3 947 B11R1.24 c1cnc(cc1CCCN)Br AB55130 [0,2,0,0,0,0|1,0,0]=3 948 B11R1.24 c1cnc(cc1CCCN)Cl AB55121 [0,2,0,0,0,0|1,0,0]=3 949 B11R1.24 c1cnc(cc1Cl)CCCN AB68006 [0,2,0,0,0,0|1,0,0]=3 950 B11R1.24 c1cnc(cc1F)CCCN AB68075 [0,2,0,0,0,0|1,0,0]=3 951 B11R1.34 Cc1cc(cc(c1)Br)CCN AB71867 [0,2,0,0,0,0|0,0,0]=2 952 B11R1.34 Cc1cc(cc(c1)CCN)C AB23315 [0,2,0,0,0,0|0,0,0]=2 953 B11R1.34 Cc1cc(cc(c1)Cl)CCN AB78190 [0,2,0,0,0,0|0,0,0]=2 954 B11R1.34 Cc1cc(cc(c1)F)CCN AB23431 [0,2,0,0,0,0|0,0,0]=2 955 B11R1.34 Cc1cc(cc(c1)I)CCN AB78221 [0,2,0,0,0,0|0,0,0]=2 956 B11R1.34 Cc1cc(cc(c1)N)CCN AB78265 [0,2,0,0,0,0|0,0,0]=2 957 B11R1.34 Cc1cc(cc(c1)O)CCN AB78276 [0,2,0,0,0,0|0,0,0]=2 958 B11R1.34 Cc1cc(cc(n1)Br)CCN AB82300 [0,2,0,0,0,0|1,0,0]=3 959 B11R1.34 Cc1cc(cc(n1)C)CCN AB54501 [0,2,0,0,0,0|1,0,0]=3 960 B11R1.34 Cc1cc(cc(n1)CCN)Br AB82123 [0,2,0,0,0,0|1,0,0]=3 961 B11R1.34 Cc1cc(cc(n1)CCN)Cl AB82103 [0,2,0,0,0,0|1,0,0]=3 962 B11R1.34 Cc1cc(cc(n1)CCN)F AB82080 [0,2,0,0,0,0|1,0,0]=3 963 B11R1.34 Cc1cc(cc(n1)CCN)I AB82141 [0,2,0,0,0,0|1,0,0]=3 964 B11R1.34 Cc1cc(cc(n1)CCN)N AB81987 [0,2,0,0,0,0|1,0,0]=3 965 B11R1.34 Cc1cc(cc(n1)CCN)O AB81997 [0,2,0,0,0,0|1,0,0]=3 966 B11R1.34 Cc1cc(cc(n1)Cl)CCN AB82280 [0,2,0,0,0,0|1,0,0]=3 967 B11R1.34 Cc1cc(cc(n1)F)CCN AB82256 [0,2,0,0,0,0|1,0,0]=3 968 B11R1.34 Cc1cc(cc(n1)I)CCN AB82317 [0,2,0,0,0,0|1,0,0]=3 969 B11R1.34 Cc1cc(cc(n1)N)CCN AB82360 [0,2,0,0,0,0|1,0,0]=3 970 B11R1.34 Cc1cc(cc(n1)O)CCN AB82370 [0,2,0,0,0,0|1,0,0]=3 971 B11R1.34 Cc1cc(nc(c1)Br)CCN AB81936 [0,2,0,0,0,0|1,0,0]=3 972 B11R1.34 Cc1cc(nc(c1)CCN)C AB45812 [0,2,0,0,0,0|1,0,0]=3 973 B11R1.34 Cc1cc(nc(c1)Cl)CCN AB81919 [0,2,0,0,0,0|1,0,0]=3 974 B11R1.34 Cc1cc(nc(c1)F)CCN AB81898 [0,2,0,0,0,0|1,0,0]=3 975 B11R1.34 Cc1cc(nc(c1)I)CCN AB81955 [0,2,0,0,0,0|1,0,0]=3 976 B11R1.34 Cc1cc(nc(c1)N)CCN AB75353 [0,2,0,0,0,0|1,0,0]=3 977 B11R1.34 Cc1cc(nc(c1)O)CCN AB82191 [0,2,0,0,0,0|1,0,0]=3 978 B11R1.34 Cc1cc(nc(n1)CCN)C AB55639 [0,2,0,0,0,0|2,0,0]=4 979 B11R1.34 Cc1cc(nc(n1)CCN)Cl AB59300 [0,2,0,0,0,0|2,0,0]=4 980 B11R1.34 Cc1cc(nc(n1)CCN)O AB55642 [0,2,0,0,0,0|2,0,0]=4 981 B11R1.34 Cc1cc(nc(n1)Cl)CCN AB76812 [0,2,0,0,0,0|2,0,0]=4 982 B11R1.34 Cc1nc(cc(n1)Cl)CCN AB77447 [0,2,0,0,0,0|2,0,0]=4 983 B11R1.34 c1c(cc(cc1Br)Br)CCN AB45450 [0,2,0,0,0,0|0,0,0]=2 984 B11R1.34 c1c(cc(cc1Br)I)CCN AB78203 [0,2,0,0,0,0|0,0,0]=2 985 B11R1.34 c1c(cc(cc1Cl)Br)CCN AB75449 [0,2,0,0,0,0|0,0,0]=2 986 B11R1.34 c1c(cc(cc1Cl)Cl)CCN AB45408 [0,2,0,0,0,0|0,0,0]=2 987 B11R1.34 c1c(cc(cc1Cl)I)CCN AB78188 [0,2,0,0,0,0|0,0,0]=2 988 B11R1.34 c1c(cc(cc1F)Br)CCN AB45440 [0,2,0,0,0,0|0,0,0]=2 989 B11R1.34 c1c(cc(cc1F)Cl)CCN AB23448 [0,2,0,0,0,0|0,0,0]=2 990 B11R1.34 c1c(cc(cc1F)F)CCN AB09183 [0,2,0,0,0,0|0,0,0]=2 991 B11R1.34 c1c(cc(cc1F)I)CCN AB78180 [0,2,0,0,0,0|0,0,0]=2 992 B11R1.34 c1c(cc(cc1I)I)CCN AB78219 [0,2,0,0,0,0|0,0,0]=2 993 B11R1.34 c1c(cc(cc1N)Br)CCN AB78206 [0,2,0,0,0,0|0,0,0]=2 994 B11R1.34 c1c(cc(cc1N)Cl)CCN AB78196 [0,2,0,0,0,0|0,0,0]=2 995 B11R1.34 c1c(cc(cc1N)F)CCN AB78182 [0,2,0,0,0,0|0,0,0]=2 996 B11R1.34 c1c(cc(cc1N)I)CCN AB78225 [0,2,0,0,0,0|0,0,0]=2 997 B11R1.34 c1c(cc(cc1N)N)CCN AB78322 [0,2,0,0,0,0|0,0,0]=2 998 B11R1.34 c1c(cc(cc1N)O)CCN AB78320 [0,2,0,0,0,0|0,0,0]=2 999 B11R1.34 c1c(cc(cc1O)Br)CCN AB78218 [0,2,0,0,0,0|0,0,0]=2 1000 B11R1.34 c1c(cc(cc1O)Cl)CCN AB78201 [0,2,0,0,0,0|0,0,0]=2 1001 B11R1.34 c1c(cc(cc1O)F)CCN AB78187 [0,2,0,0,0,0|0,0,0]=2 1002 B11R1.34 c1c(cc(cc1O)I)CCN AB78237 [0,2,0,0,0,0|0,0,0]=2 1003 B11R1.34 c1c(cc(cc1O)O)CCN AB06250 [0,2,0,0,0,0|0,0,0]=2 1004 B11R1.34 c1c(cc(nc1Br)Br)CCN AB82293 [0,2,0,0,0,0|1,0,0]=3 1005 B11R1.34 c1c(cc(nc1Br)I)CCN AB82294 [0,2,0,0,0,0|1,0,0]=3 1006 B11R1.34 c1c(cc(nc1CCN)Br)Br AB81931 [0,2,0,0,0,0|1,0,0]=3 1007 B11R1.34 c1c(cc(nc1CCN)Br)Cl AB82095 [0,2,0,0,0,0|1,0,0]=3 1008 B11R1.34 c1c(cc(nc1CCN)Br)F AB82072 [0,2,0,0,0,0|1,0,0]=3 1009 B11R1.34 c1c(cc(nc1CCN)Br)I AB81933 [0,2,0,0,0,0|1,0,0]=3 1010 B11R1.34 c1c(cc(nc1CCN)Br)N AB81939 [0,2,0,0,0,0|1,0,0]=3 1011 B11R1.34 c1c(cc(nc1CCN)Br)O AB81950 [0,2,0,0,0,0|1,0,0]=3 1012 B11R1.34 c1c(cc(nc1CCN)Cl)Br AB81913 [0,2,0,0,0,0|1,0,0]=3 1013 B11R1.34 c1c(cc(nc1CCN)Cl)Cl AB81912 [0,2,0,0,0,0|1,0,0]=3 1014 B11R1.34 c1c(cc(nc1CCN)Cl)F AB82070 [0,2,0,0,0,0|1,0,0]=3 1015 B11R1.34 c1c(cc(nc1CCN)Cl)I AB81915 [0,2,0,0,0,0|1,0,0]=3 1016 B11R1.34 c1c(cc(nc1CCN)Cl)N AB81921 [0,2,0,0,0,0|1,0,0]=3 1017 B11R1.34 c1c(cc(nc1CCN)Cl)O AB81929 [0,2,0,0,0,0|1,0,0]=3 1018 B11R1.34 c1c(cc(nc1CCN)F)Br AB81891 [0,2,0,0,0,0|1,0,0]=3 1019 B11R1.34 c1c(cc(nc1CCN)F)Cl AB81888 [0,2,0,0,0,0|1,0,0]=3 1020 B11R1.34 c1c(cc(nc1CCN)F)F AB81887 [0,2,0,0,0,0|1,0,0]=3 1021 B11R1.34 c1c(cc(nc1CCN)F)I AB81893 [0,2,0,0,0,0|1,0,0]=3 1022 B11R1.34 c1c(cc(nc1CCN)F)N AB81902 [0,2,0,0,0,0|1,0,0]=3 1023 B11R1.34 c1c(cc(nc1CCN)F)O AB81911 [0,2,0,0,0,0|1,0,0]=3 1024 B11R1.34 c1c(cc(nc1CCN)I)Br AB82119 [0,2,0,0,0,0|1,0,0]=3 1025 B11R1.34 c1c(cc(nc1CCN)I)Cl AB82097 [0,2,0,0,0,0|1,0,0]=3 1026 B11R1.34 c1c(cc(nc1CCN)I)F AB82074 [0,2,0,0,0,0|1,0,0]=3 1027 B11R1.34 c1c(cc(nc1CCN)I)N AB81958 [0,2,0,0,0,0|1,0,0]=3 1028 B11R1.34 c1c(cc(nc1CCN)I)O AB81965 [0,2,0,0,0,0|1,0,0]=3 1029 B11R1.34 c1c(cc(nc1CCN)N)Br AB82126 [0,2,0,0,0,0|1,0,0]=3 1030 B11R1.34 c1c(cc(nc1CCN)N)Cl AB82106 [0,2,0,0,0,0|1,0,0]=3 1031 B11R1.34 c1c(cc(nc1CCN)N)F AB82083 [0,2,0,0,0,0|1,0,0]=3 1032 B11R1.34 c1c(cc(nc1CCN)N)I AB82146 [0,2,0,0,0,0|1,0,0]=3 1033 B11R1.34 c1c(cc(nc1CCN)N)N AB82048 [0,2,0,0,0,0|1,0,0]=3 1034 B11R1.34 c1c(cc(nc1CCN)N)O AB82045 [0,2,0,0,0,0|1,0,0]=3 1035 B11R1.34 c1c(cc(nc1CCN)O)Br AB82139 [0,2,0,0,0,0|1,0,0]=3 1036 B11R1.34 c1c(cc(nc1CCN)O)Cl AB82118 [0,2,0,0,0,0|1,0,0]=3 1037 B11R1.34 c1c(cc(nc1CCN)O)F AB82094 [0,2,0,0,0,0|1,0,0]=3 1038 B11R1.34 c1c(cc(nc1CCN)O)I AB82159 [0,2,0,0,0,0|1,0,0]=3 1039 B11R1.34 c1c(cc(nc1CCN)O)N AB82233 [0,2,0,0,0,0|1,0,0]=3 1040 B11R1.34 c1c(cc(nc1CCN)O)O AB82067 [0,2,0,0,0,0|1,0,0]=3 1041 B11R1.34 c1c(cc(nc1Cl)Br)CCN AB82274 [0,2,0,0,0,0|1,0,0]=3 1042 B11R1.34 c1c(cc(nc1Cl)Cl)CCN AB45471 [0,2,0,0,0,0|1,0,0]=3 1043 B11R1.34 c1c(cc(nc1Cl)I)CCN AB82276 [0,2,0,0,0,0|1,0,0]=3 1044 B11R1.34 c1c(cc(nc1F)Br)CCN AB82251 [0,2,0,0,0,0|1,0,0]=3 1045 B11R1.34 c1c(cc(nc1F)Cl)CCN AB82250 [0,2,0,0,0,0|1,0,0]=3 1046 B11R1.34 c1c(cc(nc1N)Br)CCN AB82302 [0,2,0,0,0,0|1,0,0]=3 1047 B11R1.34 c1c(cc(nc1N)Cl)CCN AB82283 [0,2,0,0,0,0|1,0,0]=3 1048 B11R1.34 c1c(cc(nc1N)F)CCN AB82261 [0,2,0,0,0,0|1,0,0]=3 1049 B11R1.34 c1c(cc(nc1N)I)CCN AB82322 [0,2,0,0,0,0|1,0,0]=3 1050 B11R1.34 c1c(cc(nc1N)N)CCN AB82414 [0,2,0,0,0,0|1,0,0]=3 1051 B11R1.34 c1c(cc(nc1N)O)CCN AB82411 [0,2,0,0,0,0|1,0,0]=3 1052 B11R1.34 c1c(cc(nc1O)Br)CCN AB82313 [0,2,0,0,0,0|1,0,0]=3 1053 B11R1.34 c1c(cc(nc1O)Cl)CCN AB82292 [0,2,0,0,0,0|1,0,0]=3 1054 B11R1.34 c1c(cc(nc1O)F)CCN AB82272 [0,2,0,0,0,0|1,0,0]=3 1055 B11R1.34 c1c(cc(nc1O)I)CCN AB82332 [0,2,0,0,0,0|1,0,0]=3 1056 B11R1.34 c1c(cc(nc1O)O)CCN AB82434 [0,2,0,0,0,0|1,0,0]=3 1057 B11R1.34 c1c(nc(nc1Cl)CCN)Cl AB59297 [0,2,0,0,0,0|2,0,0]=4 1058 B11R1.157 CC(C)Oc1cccc(c1)O MB09279 [0,2,0,0,0,0|2,0,0]=4 1059 B11R1.157 CC(Cc1cccc(c1)Br)N MB06206 [0,2,0,0,0,0|0,0,0]=2 1060 B11R1.157 CC(Cc1cccc(c1)Cl)N MB06208 [0,2,0,0,0,0|0,0,0]=2 1061 B11R1.157 CN(C)Cc1cccc(c1)Br AB20761 [0,2,0,0,0,0|2,0,0]=4 1062 B11R1.157 CN(C)Cc1cccc(c1)N AB01577 [0,2,0,0,0,0|2,0,0]=4 1063 B11R1.157 C[C@@H](Cc1cccc(c1)Br)N AB76444 [0,2,0,0,0,0|0,0,0]=2 1064 B11R1.157 C[C@@H](Cc1cccc(c1)F)N AB76436 [0,2,0,0,0,0|0,0,0]=2 1065 B11R1.157 C[C@H](Cc1cccc(c1)Br)N AB76430 [0,2,0,0,0,0|0,0,0]=2 1066 B11R1.157 Cc1cccc(c1)CC(=N)N AB49995 [0,2,0,0,0,0|0,0,1]=3 1067 B11R1.157 Cc1cccc(c1)CC(C)N MB05181 [0,2,0,0,0,0|0,0,0]=2 1068 B11R1.157 c1cc(cc(c1)Br)CC(=N)N AB60873 [0,2,0,0,0,0|0,0,1]=3 1069 B11R1.157 c1cc(cc(c1)Br)CC(=O)N AB42612 [0,2,0,0,0,0|0,0,1]=3 1070 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AB00359 [0,2,0,0,0,0|1,0,1]=4 1071 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AB00363 [0,2,0,0,0,0|1,0,1]=4 1072 B11R1.157 c1cc(cc(c1)Cl)NC(=N)N AB43838 [0,2,0,0,0,0|1,0,1]=4 1073 B11R1.157 c1cc(cc(c1)F)CC(=N)N AB49997 [0,2,0,0,0,0|0,0,1]=3 1074 B11R1.157 c1cc(cc(c1)F)CC(=O)O AB00361 [0,2,0,0,0,0|1,0,1]=4 1075 B11R1.189 C#CCc1cccc(c1)C=O AB61402 [0,2,0,0,0,0|1,0,1]=4 1076 B11R1.189 CCCc1cccc(c1)NN AB07394 [0,2,0,0,0,0|1,0,0]=3 1077 B11R1.189 COc1cc(ccn1)CCN AB60206 [0,2,0,0,0,0|1,0,0]=3 1078 B11R1.189 COc1cc(cnc1)CCN AB55164 [0,2,0,0,0,0|1,0,0]=3 1079 B11R1.189 COc1cc(ncn1)CCN AB76655 [0,2,0,0,0,0|2,0,0]=4 1080 B11R1.189 COc1cccc(c1)CC#C AB61395 [0,2,0,0,0,0|1,0,1]=4 1081 B11R1.189 COc1cccc(c1)CC=O AB11807 [0,2,0,0,0,0|1,0,1]=4 1082 B11R1.189 COc1cccc(c1)CNN PB20154 [0,2,0,0,0,0|1,0,0]=3 1083 B11R1.189 COc1cccc(n1)CCN AB55158 [0,2,0,0,0,0|1,0,0]=3 1084 B11R1.189 COc1ccnc(c1)CCN AB65489 [0,2,0,0,0,0|1,0,0]=3 1085 B11R1.189 COc1ccnc(n1)CCN AB59354 [0,2,0,0,0,0|2,0,0]=4 1086 B11R1.189 COc1cncc(n1)CCN AB73161 [0,2,0,0,0,0|2,0,0]=4 1087 B11R1.189 COc1nccc(n1)CCN AB77444 [0,2,0,0,0,0|2,0,0]=4 1088 B11R1.189 c1c(cncc1C#N)CCN AB67732 [0,2,0,0,0,0|1,0,0]=3 1089 B11R1.189 c1cc(cc(c1)C#N)CCO AB56090 [0,2,0,0,0,0|1,0,0]=3 1090 B11R1.189 c1cc(nc(c1)C#N)CCN AB67413 [0,2,0,0,0,0|1,0,0]=3 1091 B11R1.189 c1cnc(cc1C#N)CCN AB68141 [0,2,0,0,0,0|1,0,0]=3 1092 B11R1.189 c1cnc(cc1CCN)C#N AB67415 [0,2,0,0,0,0|1,0,0]=3 1093 B11R1.7 CC(C)(CN)c1ccccc1 CB10869 [0,2,0,0,0,0|0,0,0]=2 1094 B11R1.7 CC(C)(CN)c1ccccn1 AB63159 [0,2,0,0,0,0|1,0,0]=3 1095 B11R1.7 CC(C)(CN)c1cccnc1 AB65048 [0,2,0,0,0,0|1,0,0]=3 1096 B11R1.7 CC(C)(CN)c1ccncc1 AB65050 [0,2,0,0,0,0|1,0,0]=3 1097 B11R1.7 CC(CN)(c1ccccc1)O AB18534 [0,2,0,0,0,0|0,0,0]=2 1098 B11R1.7 CC(CN)(c1ccccc1)O AB31018 [0,2,0,0,0,0|0,0,0]=2 1099 B11R1.7 c1cc(cnc1)C(CN)(F)F AB63158 [0,2,0,0,0,0|1,0,0]=3 1100 B11R1.7 c1ccc(cc1)C(CN)(F)F AB63157 [0,2,0,0,0,0|0,0,0]=2 1101 B11R1.7 c1ccnc(c1)C(CN)(F)F PB32694 [0,2,0,0,0,0|1,0,0]=3 1102 B11R1.7 c1ccnc(c1)C(CO)(F)F PB29587 [0,2,0,0,0,0|2,0,0]=4 1103 B11R1.16 CN(CCBr)c1ccccc1 AB60657 [0,2,0,0,0,0|1,0,0]=3 1104 B11R1.16 CN(CCN)c1ccccc1 AB02070 [0,2,0,0,0,0|0,0,0]=2 1105 B11R1.16 CN(CCN)c1ccccn1 AB60648 [0,2,0,0,0,0|1,0,0]=3 1106 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [0,2,0,0,0,0|0,0,1]=3 1107 B11R1.16 C[C@@H](c1ccccc1)N=C=O AB00191 [0,2,0,0,0,0|1,0,1]=4 1108 B11R1.16 C[C@H](c1ccccc1)N=C=O AB02484 [0,2,0,0,0,0|1,0,1]=4 1109 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [0,2,0,0,0,0|1,0,1]=4 1110 B11R1.16 c1ccc(cc1)C(CCO)N AB07310 [0,2,0,0,0,0|1,0,0]=3 1111 B11R1.36 c1ccc(cc1)C(C(F)F)N AB28541 [0,2,0,0,0,0|1,0,0]=3 1112 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N AB02597 [0,2,0,0,0,0|1,0,1]=4 1113 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N AB00920 [0,2,0,0,0,0|1,0,1]=4 1114 B11R1.28 CNCCCc1ccccc1 AB10671 [0,2,0,0,0,0|0,0,0]=2 1115 B11R1.28 CNCCOc1ccccn1 AB60653 [0,2,0,0,0,0|1,0,0]=3 1116 B11R1.28 c1ccc(cc1)CCCCN AB00942 [0,2,0,0,0,0|0,0,0]=2 1117 B11R1.28 c1ccc(cc1)CCCCN AB13248 [0,2,0,0,0,0|0,0,0]=2 1118 B11R1.28 c1ccc(cc1)COCCN AB05315 [0,2,0,0,0,0|0,0,0]=2 1119 B11R1.28 c1ccc(cc1)NCCCN MB00433 [0,2,0,0,0,0|0,0,0]=2 1120 B11R1.28 c1ccnc(c1)OCCCN AB60652 [0,2,0,0,0,0|1,0,0]=3 1121 B11R1.40 CC(CN)Oc1ccccc1 AB03575 [0,2,0,0,0,0|0,0,0]=2 1122 B11R1.40 CC(CN)Oc1cccnc1 AB16397 [0,2,0,0,0,0|1,0,0]=3 1123 B11R1.40 CC(CN)Oc1ccncc1 AB38917 [0,2,0,0,0,0|1,0,0]=3 1124 B11R1.40 CC(Cc1ccccc1)CN CB11363 [0,2,0,0,0,0|0,0,0]=2 1125 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [0,2,0,0,0,0|0,0,2]=4 1126 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [0,2,0,0,0,0|1,0,1]=4 1127 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [0,2,0,0,0,0|0,0,0]=2 1128 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [0,2,0,0,0,0|0,0,0]=2 1129 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [0,2,0,0,0,0|0,0,0]=2 1130 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [0,2,0,0,0,0|0,0,0]=2 1131 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [0,2,0,0,0,0|0,0,0]=2 1132 B11R1.91 B(CCc1ccccc1)(O)O AB09361 [0,2,0,0,0,0|1,0,0]=3 1133 B11R1.91 c1ccc(cc1)CSC(=N)N AB01105 [0,2,0,0,0,0|0,0,1]=3 1134 B11R1.509 CC(C)(Cc1ccccc1)N AB02355 [0,2,0,0,0,0|0,0,0]=2 1135 B11R1.509 CC(C)(Cc1ccccn1)N AB76319 [0,2,0,0,0,0|1,0,0]=3 1136 B11R1.509 CC(C)(Cc1cccnc1)N AB77415 [0,2,0,0,0,0|1,0,0]=3 1137 B11R1.509 CC(C)(Cc1ccncc1)N AB76603 [0,2,0,0,0,0|1,0,0]=3 1138 B11R1.509 CC(C)(Cc1ccncn1)N AB77438 [0,2,0,0,0,0|2,0,0]=4 1139 B11R1.509 CC(C)(Cc1cncnc1)N AB77449 [0,2,0,0,0,0|2,0,0]=4 1140 B11R1.509 CC(C)(Cc1ncccn1)N AB77436 [0,2,0,0,0,0|2,0,0]=4 1141 B11R1.509 [B-](Cc1ccccc1)(F)(F)F AB15065 [0,2,0,0,0,0|2,0,0]=4 1142 B11R2.34 c1cc(ncc1Br)C2CC2 AB65328 [0,1,0,1,0,0|2,0,0]=4 1143 B11R2.34 c1cc(ncc1C2CC2)Br MB10291 [0,1,0,1,0,0|2,0,0]=4 1144 B11R2.36 Cc1cc2c(nc1)NCC2 AB26240 [0,1,0,1,0,0|1,0,0]=3 1145 B11R2.36 Cc1ccc2c(c1)CNC2 AB49687 [0,1,0,1,0,0|2,0,0]=4 1146 B11R2.36 Cc1ccc2c(c1)N=CC2 PB25888 [0,1,0,1,0,0|0,0,2]=4 1147 B11R2.36 Cc1ccc2c(c1)N=NC2 MB04939 [0,1,0,1,0,0|1,0,1]=4 1148 B11R2.36 Cc1ccc2c(c1)NCC2 MB04575 [0,1,0,1,0,0|0,0,0]=2 1149 B11R2.36 c1c(cnc2c1CCN2)Br PB26222 [0,1,0,1,0,0|1,0,0]=3 1150 B11R2.36 c1c(cnc2c1NCC2)Br AB73731 [0,1,0,1,0,0|1,0,0]=3 1151 B11R2.36 c1c(nc2c(n1)CCN2)Cl AB85069 [0,1,0,1,0,0|2,0,0]=4 1152 B11R2.36 c1c(nc2c(n1)NCC2)Br AB85721 [0,1,0,1,0,0|2,0,0]=4 1153 B11R2.36 c1c2c(cnc1Br)NCC2 AB76736 [0,1,0,1,0,0|1,0,0]=3 1154 B11R2.36 c1c2c(cnc1Cl)NCC2 AB70159 [0,1,0,1,0,0|1,0,0]=3 1155 B11R2.36 c1cc(nc2c1NCC2)Br AB73732 [0,1,0,1,0,0|1,0,0]=3 1156 B11R2.36 c1cc(nc2c1NCC2)Cl AB71540 [0,1,0,1,0,0|1,0,0]=3 1157 B11R2.36 c1cc(nc2c1NCC2)F AB73742 [0,1,0,1,0,0|1,0,0]=3 1158 B11R2.36 c1cc2c(cc1Br)CCC2 MB07871 [0,1,0,1,0,0|1,0,0]=3 1159 B11R2.36 c1cc2c(cc1Br)CNC2 PB29483 [0,1,0,1,0,0|2,0,0]=4 1160 B11R2.36 c1cc2c(cc1Br)NCC2 MB04573 [0,1,0,1,0,0|0,0,0]=2 1161 B11R2.36 c1cc2c(cc1Br)OCC2 MB06567 [0,1,0,1,0,0|1,0,0]=3 1162 B11R2.36 c1cc2c(cc1Cl)CNC2 MB09657 [0,1,0,1,0,0|2,0,0]=4 1163 B11R2.36 c1cc2c(cc1F)CCO2 AB43939 [0,1,0,1,0,0|1,0,0]=3 1164 B11R2.36 c1cc2c(cc1F)CNC2 MB03627 [0,1,0,1,0,0|2,0,0]=4 1165 B11R2.36 c1cc2c(cc1F)NCC2 AB01334 [0,1,0,1,0,0|0,0,0]=2 1166 B11R2.36 c1cc2c(cc1I)CNC2 MB11263 [0,1,0,1,0,0|2,0,0]=4 1167 B11R2.36 c1cc2c(cc1N)CCC2 CB10015 [0,1,0,1,0,0|1,0,0]=3 1168 B11R2.36 c1cc2c(cc1N)CCO2 AB15578 [0,1,0,1,0,0|1,0,0]=3 1169 B11R2.36 c1cc2c(cc1N)CNC2 AB50244 [0,1,0,1,0,0|2,0,0]=4 1170 B11R2.36 c1cc2c(cc1N)NCC2 MB00375 [0,1,0,1,0,0|0,0,0]=2 1171 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [0,1,0,1,0,0|1,0,1]=4 1172 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [0,1,0,1,0,0|1,0,1]=4 1173 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [0,1,0,1,0,0|0,0,1]=3 1174 B11R2.10 c1ccc2c(c1)CC(C2)Br MB05045 [0,1,0,1,0,0|1,0,0]=3 1175 B11R2.10 c1ccc2c(c1)CC(C2)N AB03106 [0,1,0,1,0,0|0,0,0]=2 1176 B11R2.10 c1ccc2c(c1)CN(C2)N MB09229 [0,1,0,1,0,0|1,0,0]=3 1177 B11R2.10 c1cncc2c1CC(=O)N2 PB19637 [0,1,0,1,0,0|1,0,1]=4 1178 B11R2.10 c1cncc2c1NC(=O)C2 PB17659 [0,1,0,1,0,0|1,0,1]=4 1179 B11R2.20 c1c2c(ncn1)CCNC2 AB51364 [0,1,0,1,0,0|2,0,0]=4 1180 B11R2.20 c1c2c(ncn1)CCNC2 PB13144 [0,1,0,1,0,0|2,0,0]=4 1181 B11R2.20 c1c2c(ncn1)CNCC2 AB48465 [0,1,0,1,0,0|2,0,0]=4 1182 B11R2.20 c1c2c(ncn1)CNCC2 PB35202 [0,1,0,1,0,0|2,0,0]=4 1183 B11R2.20 c1cc2c(nc1)CCCN2 AB45266 [0,1,0,1,0,0|1,0,0]=3 1184 B11R2.20 c1cc2c(nc1)CCNC2 AB27765 [0,1,0,1,0,0|1,0,0]=3 1185 B11R2.20 c1cc2c(nc1)CNCC2 PB14621 [0,1,0,1,0,0|1,0,0]=3 1186 B11R2.20 c1cc2c(nc1)NCCN2 MB05240 [0,1,0,1,0,0|1,0,0]=3 1187 B11R2.20 c1cc2c(nc1)NCCO2 AB49130 [0,1,0,1,0,0|1,0,0]=3 1188 B11R2.20 c1cc2c(nc1)OCCN2 PB18914 [0,1,0,1,0,0|1,0,0]=3 1189 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [0,1,0,1,0,0|0,0,1]=3 1190 B11R2.20 c1ccc2c(c1)NCCO2 MB02357 [0,1,0,1,0,0|0,0,0]=2 1191 B11R2.20 c1cnc2c(n1)CCNC2 AB62883 [0,1,0,1,0,0|2,0,0]=4 1192 B11R2.20 c1cncc2c1CCCN2 AB64133 [0,1,0,1,0,0|1,0,0]=3 1193 B11R2.20 c1cncc2c1CCNC2 PB10616 [0,1,0,1,0,0|1,0,0]=3 1194 B11R2.20 c1cncc2c1CNCC2 AB48928 [0,1,0,1,0,0|1,0,0]=3 1195 B11R2.20 c1cncc2c1NCCC2 AB43638 [0,1,0,1,0,0|1,0,0]=3 1196 B11R2.20 c1cncc2c1NCCO2 AB66612 [0,1,0,1,0,0|1,0,0]=3 1197 B11R2.20 c1cncc2c1OCCN2 AB43406 [0,1,0,1,0,0|1,0,0]=3 1198 B11R2.55 c1ccc(c(c1)C2CO2)Cl MB07493 [0,1,0,1,0,0|1,0,0]=3 1199 B11R2.106 Cc1cccc2c1CCN2 MB06155 [0,1,0,1,0,0|0,0,0]=2 1200 B11R2.106 Cc1cccc2c1CNC2 MB06843 [0,1,0,1,0,0|2,0,0]=4 1201 B11R2.106 Cc1cccc2c1NCC2 MB04566 [0,1,0,1,0,0|0,0,0]=2 1202 B11R2.106 c1c2c(c(cn1)Br)NCC2 PB18307 [0,1,0,1,0,0|1,0,0]=3 1203 B11R2.106 c1cc(c2c(c1)N=NC2)N PB23340 [0,1,0,1,0,0|1,0,1]=4 1204 B11R2.106 c1cc(c2c(c1)NCC2)N MB05532 [0,1,0,1,0,0|0,0,0]=2 1205 B11R2.106 c1cc(c2c(c1)OCC2)N PB21917 [0,1,0,1,0,0|1,0,0]=3 1206 B11R2.106 c1cc2c(c(c1)Br)CCC2 PB24478 [0,1,0,1,0,0|1,0,0]=3 1207 B11R2.106 c1cc2c(c(c1)Br)CNC2 MB07470 [0,1,0,1,0,0|2,0,0]=4 1208 B11R2.106 c1cc2c(c(c1)Cl)CCN2 MB04569 [0,1,0,1,0,0|0,0,0]=2 1209 B11R2.106 c1cc2c(c(c1)Cl)CNC2 MB05816 [0,1,0,1,0,0|2,0,0]=4 1210 B11R2.106 c1cc2c(c(c1)F)CNC2 MB08984 [0,1,0,1,0,0|2,0,0]=4 1211 B11R2.106 c1cc2c(c(c1)I)CNC2 MB11259 [0,1,0,1,0,0|2,0,0]=4 1212 B11R2.106 c1cc2c(c(c1)N)CNC2 AB55999 [0,1,0,1,0,0|2,0,0]=4 1213 B11R2.106 c1cc2c(c(c1)N)CNC2 AB66280 [0,1,0,1,0,0|2,0,0]=4 1214 B11R2.106 c1cc2c(c(c1)N)NCC2 MB05535 [0,1,0,1,0,0|0,0,0]=2 1215 B11R2.106 c1cc2c(c(c1)O)CCN2 MB07004 [0,1,0,1,0,0|0,0,0]=2 1216 B11R2.106 c1cc2c(c(c1)O)CNC2 MB08983 [0,1,0,1,0,0|2,0,0]=4 1217 B11R2.106 c1cc2n(c(=O)c1)CCN2 MB08872 [0,1,0,1,0,0|1,0,0]=3 1218 B11R2.106 c1cnc(c2c1CCO2)N AB52904 [0,1,0,1,0,0|2,0,0]=4 1219 B11R2.106 c1cnc(c2c1NCC2)Br AB73026 [0,1,0,1,0,0|1,0,0]=3 1220 B11R2.106 c1cnc(c2c1NCC2)Cl PB31568 [0,1,0,1,0,0|1,0,0]=3 1221 B11R2.106 c1cnc2c(c1Br)CCN2 AB76365 [0,1,0,1,0,0|1,0,0]=3 1222 B11R2.106 c1cnc2c(c1I)CCN2 AB85220 [0,1,0,1,0,0|1,0,0]=3 1223 B11R2.35 c1c(cncc1Br)C2CC2 MB10375 [0,1,0,1,0,0|2,0,0]=4 1224 B11R2.35 c1cc(cc(c1)F)C2CO2 MB07713 [0,1,0,1,0,0|1,0,0]=3 1225 B11R2.35 c1cc(nc(c1)Br)C2CC2 MB09481 [0,1,0,1,0,0|2,0,0]=4 1226 B11R2.35 c1cnc(cc1C2CC2)Cl MB11621 [0,1,0,1,0,0|2,0,0]=4 1227 B11R2.1 B1(c2ccccc2CO1)O AB08148 [0,1,0,1,0,0|2,0,0]=4 1228 B11R2.1 CN1CCc2c1cccc2 MB02030 [0,1,0,1,0,0|0,0,0]=2 1229 B11R2.1 Cn1c2ccccc2cn1 PB18505 [0,1,0,1,0,0|1,0,1]=4 1230 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,1,0,1,0,0|2,0,0]=4 1231 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [0,1,0,1,0,0|1,0,0]=3 1232 B11R2.1 c1cc2c(nc1)OCC2N AB70106 [0,1,0,1,0,0|1,0,0]=3 1233 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,1,0,1,0,0|1,0,1]=4 1234 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [0,1,0,1,0,0|0,0,0]=2 1235 B11R2.1 c1ccc2c(c1)C(N=N2)N MB69235 [0,1,0,1,0,0|1,0,0]=3 1236 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [0,1,0,1,0,0|0,0,0]=2 1237 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [0,1,0,1,0,0|0,0,0]=2 1238 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [0,1,0,1,0,0|0,0,0]=2 1239 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [0,1,0,1,0,0|0,0,0]=2 1240 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [0,1,0,1,0,0|1,0,1]=4 1241 B11R2.1 c1ccc2c(c1)cnn2N MB08196 [0,1,0,1,0,0|1,0,1]=4 1242 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [0,1,0,1,0,0|0,0,0]=2 1243 B11R2.40 c1cc(cnc1)C2(CC2)N AB43088 [0,1,0,1,0,0|2,0,0]=4 1244 B11R2.40 c1ccc(cc1)C2(CC2)N AB22505 [0,1,0,1,0,0|1,0,0]=3 1245 B11R2.40 c1ccnc(c1)C2(CC2)N AB43090 [0,1,0,1,0,0|2,0,0]=4 1246 B11R2.40 c1cnccc1C2(CC2)N AB55046 [0,1,0,1,0,0|2,0,0]=4 1247 B11R2.238 c1cc(cnc1)OC2CC2 MB19977 [0,1,0,1,0,0|2,0,0]=4 1248 B11R2.238 c1ccnc(c1)OC2CC2 MB19961 [0,1,0,1,0,0|2,0,0]=4 1249 B11R2.238 c1cnccc1OC2CC2 MB19994 [0,1,0,1,0,0|2,0,0]=4 1250 B7R1.1 CCC1=CN=CC1 AB31265 [1,0,0,0,1,0|1,0,1]=4 1251 B7R1.1 c1c(con1)CN AB28201 [1,0,0,0,1,0|2,0,0]=4 1252 B7R1.1 c1c(con1)CN PB34298 [1,0,0,0,1,0|2,0,0]=4 1253 B7R1.1 c1c(csn1)CN AB62615 [1,0,0,0,1,0|2,0,0]=4 1254 B7R1.1 c1c(nco1)CN PB29323 [1,0,0,0,1,0|2,0,0]=4 1255 B7R1.1 c1c(ncs1)CN AB27866 [1,0,0,0,1,0|2,0,0]=4 1256 B7R1.1 c1c(ncs1)CN PB21996 [1,0,0,0,1,0|2,0,0]=4 1257 B7R1.1 c1c(ocn1)CN AB30442 [1,0,0,0,1,0|2,0,0]=4 1258 B7R1.1 c1c(scn1)CN AB27929 [1,0,0,0,1,0|2,0,0]=4 1259 B7R1.1 c1c(scn1)CN PB32316 [1,0,0,0,1,0|2,0,0]=4 1260 B7R1.1 c1cc(oc1)CCl MB06568 [1,0,0,0,1,0|2,0,0]=4 1261 B7R1.1 c1cc(sc1)CN PB17027 [1,0,0,0,1,0|1,0,0]=3 1262 B7R1.1 c1cc(sc1)CO PB10001 [1,0,0,0,1,0|2,0,0]=4 1263 B7R1.1 c1cnoc1CN AB27950 [1,0,0,0,1,0|2,0,0]=4 1264 B7R1.1 c1cnoc1CN AB27954 [1,0,0,0,1,0|2,0,0]=4 1265 B7R1.1 c1cnsc1CN AB70840 [1,0,0,0,1,0|2,0,0]=4 1266 B7R1.1 c1coc(n1)CN AB19275 [1,0,0,0,1,0|2,0,0]=4 1267 B7R1.1 c1coc(n1)CN AB28202 [1,0,0,0,1,0|2,0,0]=4 1268 B7R1.1 c1conc1CN PB24935 [1,0,0,0,1,0|2,0,0]=4 1269 B7R1.1 c1csc(n1)CN MB03193 [1,0,0,0,1,0|2,0,0]=4 1270 B7R1.1 c1csc(n1)CN PB20005 [1,0,0,0,1,0|2,0,0]=4 1271 B7R1.1 c1cscc1CN AB13999 [1,0,0,0,1,0|1,0,0]=3 1272 B7R1.1 c1cscc1CN PB12237 [1,0,0,0,1,0|1,0,0]=3 1273 B7R1.1 c1cscc1CO PB10036 [1,0,0,0,1,0|2,0,0]=4 1274 B7R1.1 c1csnc1CN PB23687 [1,0,0,0,1,0|2,0,0]=4