0 B9R1.6 B(c1cccnc1)(O)O AB17635 [0,0,0,0,0,0|3,1,0]=4 1 B9R1.6 B(c1cccnc1)(O)O PB14187 [0,0,0,0,0,0|3,1,0]=4 2 B9R1.6 B(c1ccncc1)(O)O AB23111 [0,0,0,0,0,0|3,1,0]=4 3 B9R1.6 B(c1ccncc1)(O)O PB29133 [0,0,0,0,0,0|3,1,0]=4 4 B9R1.6 C=C(c1ccccn1)Br AB31950 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.6 CC(=O)c1ccccn1 AB00686 [0,0,0,0,0,0|1,1,1]=3 6 B9R1.6 CC(=O)c1cccnc1 AB00750 [0,0,0,0,0,0|1,1,1]=3 7 B9R1.6 CC(=O)c1cccnn1 PB16551 [0,0,0,0,0,0|2,1,1]=4 8 B9R1.6 CC(=O)c1ccncc1 AB00760 [0,0,0,0,0,0|1,1,1]=3 9 B9R1.6 CC(=O)c1ccncn1 PB17606 [0,0,0,0,0,0|2,1,1]=4 10 B9R1.6 CC(=O)c1ccnnc1 PB26895 [0,0,0,0,0,0|2,1,1]=4 11 B9R1.6 CC(=O)c1cnccn1 AB00602 [0,0,0,0,0,0|2,1,1]=4 12 B9R1.6 CC(=O)c1cncnc1 PB20327 [0,0,0,0,0,0|2,1,1]=4 13 B9R1.6 CC(=O)c1ncccn1 PB34295 [0,0,0,0,0,0|2,1,1]=4 14 B9R1.6 CC(C)c1ccccn1 PB21659 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.6 CC(c1ccccc1)Cl AB01249 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.6 CC(c1ccccn1)N AB21604 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.6 CC(c1cccnc1)N AB09764 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.6 CC(c1ccncc1)N AB11609 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.6 CC(c1ccncn1)N PB34498 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.6 CC(c1ccnnc1)N PB22705 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.6 CC(c1cnccn1)N PB14922 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.6 CC(c1cncnc1)N PB22435 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.6 CC(c1ncccn1)N AB59468 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.6 CN(C)c1ncccn1 AB64628 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.6 C[C@@H](c1cncnc1)N PB15383 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.6 C[C@H](c1cccnc1)N AB49734 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.6 C[C@H](c1ccncc1)N AB49745 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.6 C[C@H](c1cncnc1)N PB28768 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.6 c1cc(cnc1)C(F)F AB64034 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [0,0,0,0,0,0|2,0,1]=3 33 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [0,0,0,0,0,0|2,1,1]=4 35 B9R1.6 c1ccnc(c1)C(=S)N AB03215 [0,0,0,0,0,0|2,0,2]=4 36 B9R1.6 c1ccnc(c1)C(F)F AB64042 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.6 c1cnccc1C(=N)N MB02852 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.6 c1cnccc1C(=O)O AB00757 [0,0,0,0,0,0|2,1,1]=4 39 B9R1.6 c1cnccc1C(=S)N AB00764 [0,0,0,0,0,0|2,0,2]=4 40 B8R1.2 C#Cc1ccccn1 PB17077 [1,0,0,0,0,0|1,0,2]=4 41 B8R1.2 C#Cc1cccnc1 PB29186 [1,0,0,0,0,0|1,0,2]=4 42 B8R1.2 C#Cc1ccncc1 PB29291 [1,0,0,0,0,0|1,0,2]=4 43 B8R1.2 CNc1cccnc1 AB09114 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.2 CNc1ccncn1 AB60623 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.2 CNc1cncnc1 AB60774 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.2 CNc1ncccn1 AB05135 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.2 COc1cccnc1 AB06864 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.2 COc1cccnn1 AB05130 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 COc1ccnnc1 AB44150 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.2 c1c(cncn1)CCl PB31962 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.2 c1c(cncn1)CCl PB34530 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 c1c(cncn1)CN PB26277 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 c1c(cncn1)CO PB18631 [1,0,0,0,0,0|2,1,0]=4 54 B8R1.2 c1cc(cnc1)C=O AB00744 [1,0,0,0,0,0|1,1,1]=4 55 B8R1.2 c1cc(cnc1)CCl AB01984 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.2 c1cc(cnc1)CN AB00752 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.2 c1cc(cnc1)NN AB42924 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.2 c1cc(cnc1)NN PB18886 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.2 c1cc(nnc1)CCl PB28814 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.2 c1cc(nnc1)CN PB29341 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.2 c1cc(nnc1)CO PB30818 [1,0,0,0,0,0|2,1,0]=4 62 B8R1.2 c1ccnc(c1)C=O AB00680 [1,0,0,0,0,0|1,1,1]=4 63 B8R1.2 c1ccnc(c1)CBr MB02148 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.2 c1ccnc(c1)CCl AB22495 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.2 c1ccnc(c1)CN AB00731 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.2 c1cnc(cn1)CCl PB20483 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.2 c1cnc(cn1)CN PB14180 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.2 c1cnc(cn1)CO PB21779 [1,0,0,0,0,0|2,1,0]=4 69 B8R1.2 c1cnc(nc1)CCl PB20403 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.2 c1cnc(nc1)CN CB11589 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.2 c1cnc(nc1)CN PB23443 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.2 c1cnc(nc1)CO PB12410 [1,0,0,0,0,0|2,1,0]=4 73 B8R1.2 c1cnccc1C=O AB00754 [1,0,0,0,0,0|1,1,1]=4 74 B8R1.2 c1cnccc1CCl AB15539 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.2 c1cnccc1CN AB00767 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.2 c1cnccc1NN PB27392 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 c1cnccc1ON AB31585 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 c1cncnc1CCl AB58895 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 c1cncnc1CN PB10439 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.2 c1cncnc1CO PB12296 [1,0,0,0,0,0|2,1,0]=4 81 B8R1.2 c1cnncc1CN PB31361 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.2 c1cnncc1CO PB26178 [1,0,0,0,0,0|2,1,0]=4 83 B10R1.13 B(c1ccc(cc1)Br)(O)O AB00202 [0,1,0,0,0,0|2,1,0]=4 84 B10R1.13 B(c1ccc(cc1)C)(O)O AB01767 [0,1,0,0,0,0|2,1,0]=4 85 B10R1.13 B(c1ccc(cc1)Cl)(O)O AB01763 [0,1,0,0,0,0|2,1,0]=4 86 B10R1.13 B(c1ccc(cc1)F)(O)O AB01761 [0,1,0,0,0,0|2,1,0]=4 87 B10R1.13 B(c1ccc(cc1)I)(O)O AB08832 [0,1,0,0,0,0|2,1,0]=4 88 B10R1.13 B(c1ccc(cc1)N)(O)O AB08102 [0,1,0,0,0,0|2,1,0]=4 89 B10R1.13 B(c1ccc(cc1)O)(O)O AB08076 [0,1,0,0,0,0|2,1,0]=4 90 B10R1.13 B(c1ccc(cc1)S)(O)O AB13276 [0,1,0,0,0,0|2,1,0]=4 91 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [0,1,0,0,0,0|1,0,1]=3 92 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [0,1,0,0,0,0|1,1,1]=4 93 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [0,1,0,0,0,0|1,1,1]=4 94 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [0,1,0,0,0,0|1,1,1]=4 95 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [0,1,0,0,0,0|1,1,1]=4 96 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [0,1,0,0,0,0|1,1,1]=4 97 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [0,1,0,0,0,0|1,1,1]=4 98 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [0,1,0,0,0,0|1,1,1]=4 99 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [0,1,0,0,0,0|1,1,1]=4 100 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [0,1,0,0,0,0|1,1,1]=4 101 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [0,1,0,0,0,0|1,1,1]=4 102 B10R1.13 CC(C)c1ccc(cn1)Br MB11629 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.13 CC(C)c1ccc(cn1)N PB22166 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.13 CC(C)c1ccc(cn1)O MB08432 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.13 CC(C)c1ccc(nc1)Br MB10296 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.13 CC(C)c1ccc(nn1)Cl MB11649 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.13 CC(C)c1cnc(cn1)Br AB64004 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.13 CC(C)c1cnc(cn1)Cl AB70173 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.13 CC(C)c1ncc(cn1)Br PB22629 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.13 CC(C)c1ncc(cn1)Cl AB59147 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.13 CC(C)c1ncc(cn1)N AB58991 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.13 CC(C)c1ncc(cn1)O AB58598 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.13 CC(c1ccc(cn1)F)N PB27166 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.13 CC(c1ccc(nc1)Br)N AB67301 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.13 CC(c1ccc(nc1)Cl)N AB67348 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.13 CC(c1ncc(cn1)Cl)N AB59171 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.13 CC(c1ncc(cn1)F)N PB11305 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.13 CN(C)c1ccc(cn1)Br AB03372 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.13 CN(C)c1ccc(cn1)Cl AB67483 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.13 CN(C)c1ccc(cn1)N PB31328 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.13 CN(C)c1ccc(cn1)O MB24899 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.13 CN(C)c1ccc(nc1)Br MB00661 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.13 C[C@@H](c1ccc(nc1)Cl)N AB49730 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.13 C[C@@H](c1ncc(cn1)F)N AB73466 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.13 C[C@H](c1ccc(nc1)Cl)N AB49726 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.13 C[C@H](c1ncc(cn1)F)N AB73465 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [0,1,0,0,0,0|1,0,2]=4 131 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [0,1,0,0,0,0|1,1,1]=4 132 B10R1.13 Cc1ccc(cn1)C(C)N AB53828 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.13 Cc1ccc(cn1)C(F)F AB76728 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [0,1,0,0,0,0|1,1,1]=4 135 B10R1.13 Cc1cnc(nc1)C(C)N AB59472 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [0,1,0,0,0,0|2,0,1]=4 142 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [0,1,0,0,0,0|1,0,2]=4 143 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [0,1,0,0,0,0|1,0,2]=4 144 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [0,1,0,0,0,0|1,0,2]=4 145 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [0,1,0,0,0,0|1,0,2]=4 146 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [0,1,0,0,0,0|1,0,2]=4 147 B10R1.13 c1cc(ncc1Br)C(F)F AB65154 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.13 c1cc(ncc1C(F)F)Br AB70749 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.13 c1cc(ncc1C(F)F)Cl AB70755 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.13 c1cc(ncc1C(F)F)F AB76727 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.13 c1cc(ncc1C(F)F)N AB74782 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.13 c1cc(ncc1N)C(F)F AB75496 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.13 c1cc(ncc1O)C(F)F AB74785 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.15 CC(c1cccnc1)NC CB11165 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,1,0,0,0,0|1,1,1]=4 156 B10R1.15 CCC(c1cnccn1)N PB31632 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [0,1,0,0,0,0|1,0,0]=2 158 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [0,1,0,0,0,0|1,0,0]=2 159 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [0,1,0,0,0,0|1,1,1]=4 160 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [0,1,0,0,0,0|1,1,1]=4 161 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [0,1,0,0,0,0|1,1,1]=4 162 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [0,1,0,0,0,0|1,1,0]=3 163 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [0,1,0,0,0,0|1,1,0]=3 164 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [0,1,0,0,0,0|0,1,2]=4 166 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [0,1,0,0,0,0|0,1,2]=4 167 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [0,1,0,0,0,0|1,1,1]=4 168 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [0,1,0,0,0,0|1,1,1]=4 169 B10R1.15 c1cnccc1C(=O)CBr AB12154 [0,1,0,0,0,0|1,1,1]=4 170 B10R1.28 CC(C)(C)c1ccccn1 CB10120 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.28 CC(C)(c1ccccn1)N AB48746 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.28 CC(C)(c1cccnc1)N AB48740 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.28 CC(C)(c1ccncc1)N AB48742 [0,1,0,0,0,0|2,0,0]=3 174 B10R1.28 [B-](c1ccccc1)(F)(F)F AB08670 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.28 c1ccnc(c1)C(F)(F)F MB02365 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.61 B(c1ccccc1Br)(O)O AB08325 [0,1,0,0,0,0|2,1,0]=4 177 B10R1.61 B(c1ccccc1C)(O)O AB03348 [0,1,0,0,0,0|2,1,0]=4 178 B10R1.61 B(c1ccccc1Cl)(O)O AB06914 [0,1,0,0,0,0|2,1,0]=4 179 B10R1.61 B(c1ccccc1F)(O)O AB06918 [0,1,0,0,0,0|2,1,0]=4 180 B10R1.61 B(c1ccccc1N)(O)O AB08088 [0,1,0,0,0,0|2,1,0]=4 181 B10R1.61 B(c1ccccc1O)(O)O AB08053 [0,1,0,0,0,0|2,1,0]=4 182 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [0,1,0,0,0,0|1,1,1]=4 183 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [0,1,0,0,0,0|1,1,1]=4 184 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [0,1,0,0,0,0|1,1,1]=4 185 B10R1.61 CC(=O)c1cccnc1Br AB18171 [0,1,0,0,0,0|1,1,1]=4 186 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [0,1,0,0,0,0|1,1,1]=4 187 B10R1.61 CC(=O)c1cccnc1F AB41104 [0,1,0,0,0,0|1,1,1]=4 188 B10R1.61 CC(=O)c1cccnc1N AB11689 [0,1,0,0,0,0|1,1,1]=4 189 B10R1.61 CC(=O)c1ccncc1Br PB12099 [0,1,0,0,0,0|1,1,1]=4 190 B10R1.61 CC(=O)c1ccncc1F PB22036 [0,1,0,0,0,0|1,1,1]=4 191 B10R1.61 CC(=O)c1ccncc1N AB41121 [0,1,0,0,0,0|1,1,1]=4 192 B10R1.61 CC(=O)c1cnccc1Br AB64732 [0,1,0,0,0,0|1,1,1]=4 193 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [0,1,0,0,0,0|1,1,1]=4 194 B10R1.61 CC(=O)c1cnccc1F AB41107 [0,1,0,0,0,0|1,1,1]=4 195 B10R1.61 CC(C)c1c(cccn1)O MB22687 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.61 CC(C)c1c(nccn1)Cl AB70582 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.61 CC(C)c1ccncc1O MB22678 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.61 CC(C)c1cnccc1O MB22684 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.61 CC(C)c1cncnc1Cl AB55647 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.61 CC(c1cccnc1Br)N AB41828 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.61 CC(c1cccnc1Cl)N AB67346 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.61 CC(c1cnccc1Cl)N AB68000 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.61 CN(C)c1c(cccn1)Br AB67478 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.61 CN(C)c1c(cccn1)Cl AB67480 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.61 CN(C)c1c(cccn1)O MB24991 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.61 CN(C)c1ccccc1O MB08302 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.61 CN(C)c1ccncc1O MB24982 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.61 CN(C)c1cnccc1O MB24989 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [0,1,0,0,0,0|1,1,1]=4 210 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.61 Cc1ccccc1C(=N)N AB18273 [0,1,0,0,0,0|2,0,1]=4 213 B10R1.61 Cc1ccccc1C(=S)N AB16881 [0,1,0,0,0,0|1,0,2]=4 214 B10R1.61 Cc1ccncc1C(=O)C AB45306 [0,1,0,0,0,0|1,1,1]=4 215 B10R1.61 Cc1ccncc1C(C)N AB67850 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.61 c1ccc(c(c1)C(=N)N)Br AB18326 [0,1,0,0,0,0|2,0,1]=4 217 B10R1.61 c1ccc(c(c1)C(=N)N)Cl AB05888 [0,1,0,0,0,0|2,0,1]=4 218 B10R1.61 c1ccc(c(c1)C(=N)N)F AB18318 [0,1,0,0,0,0|2,0,1]=4 219 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [0,1,0,0,0,0|2,0,1]=4 220 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [0,1,0,0,0,0|1,1,1]=4 221 B10R1.61 c1ccc(c(c1)C(=S)N)Br AB21272 [0,1,0,0,0,0|1,0,2]=4 222 B10R1.61 c1ccc(c(c1)C(=S)N)Cl AB01839 [0,1,0,0,0,0|1,0,2]=4 223 B10R1.61 c1ccc(c(c1)C(=S)N)N AB07816 [0,1,0,0,0,0|1,0,2]=4 224 B10R1.113 B(c1cccc(c1)Br)(O)O AB05452 [0,1,0,0,0,0|2,1,0]=4 225 B10R1.113 B(c1cccc(c1)C)(O)O AB01795 [0,1,0,0,0,0|2,1,0]=4 226 B10R1.113 B(c1cccc(c1)Cl)(O)O AB04228 [0,1,0,0,0,0|2,1,0]=4 227 B10R1.113 B(c1cccc(c1)F)(O)O AB05340 [0,1,0,0,0,0|2,1,0]=4 228 B10R1.113 B(c1cccc(c1)I)(O)O AB08836 [0,1,0,0,0,0|2,1,0]=4 229 B10R1.113 B(c1cccc(c1)N)(O)O AB00895 [0,1,0,0,0,0|2,1,0]=4 230 B10R1.113 B(c1cccc(c1)N)(O)O AB01122 [0,1,0,0,0,0|2,1,0]=4 231 B10R1.113 B(c1cccc(c1)O)(O)O AB08061 [0,1,0,0,0,0|2,1,0]=4 232 B10R1.113 B(c1cccc(c1)S)(O)O AB13509 [0,1,0,0,0,0|2,1,0]=4 233 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [0,1,0,0,0,0|1,1,1]=4 234 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [0,1,0,0,0,0|1,1,1]=4 235 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [0,1,0,0,0,0|1,1,1]=4 236 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [0,1,0,0,0,0|1,1,1]=4 237 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [0,1,0,0,0,0|1,1,1]=4 238 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [0,1,0,0,0,0|1,1,1]=4 239 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [0,1,0,0,0,0|1,1,1]=4 240 B10R1.113 CC(=O)c1cccc(n1)Br AB05570 [0,1,0,0,0,0|1,1,1]=4 241 B10R1.113 CC(=O)c1cccc(n1)Cl AB41100 [0,1,0,0,0,0|1,1,1]=4 242 B10R1.113 CC(=O)c1cccc(n1)F AB50226 [0,1,0,0,0,0|1,1,1]=4 243 B10R1.113 CC(=O)c1cccc(n1)N AB67452 [0,1,0,0,0,0|1,1,1]=4 244 B10R1.113 CC(=O)c1ccnc(c1)Br AB31302 [0,1,0,0,0,0|1,1,1]=4 245 B10R1.113 CC(=O)c1ccnc(c1)Cl PB18811 [0,1,0,0,0,0|1,1,1]=4 246 B10R1.113 CC(=O)c1ccnc(c1)F AB50237 [0,1,0,0,0,0|1,1,1]=4 247 B10R1.113 CC(=O)c1ccnc(c1)N AB67454 [0,1,0,0,0,0|1,1,1]=4 248 B10R1.113 CC(C)c1cc(ccn1)O MB11626 [0,1,0,0,0,0|2,0,0]=3 249 B10R1.113 CC(C)c1cc(cnc1)Br MB14162 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.113 CC(C)c1cc(cnc1)O MB22682 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.113 CC(C)c1cc(ncn1)Br MB09511 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.113 CC(C)c1cc(ncn1)Cl AB51366 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.113 CC(C)c1cc(ncn1)N AB54959 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.113 CC(C)c1cc(ncn1)O AB54885 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.113 CC(C)c1cccc(n1)Br MB09496 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.113 CC(C)c1ccnc(c1)Cl MB13722 [0,1,0,0,0,0|2,0,0]=3 257 B10R1.113 CC(C)c1nccc(n1)Br AB63999 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.113 CC(C)c1nccc(n1)Cl AB51255 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.113 CC(c1cc(cnc1)Br)N AB41075 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.113 CC(c1cccc(n1)Br)N AB67302 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.113 CC(c1cccc(n1)Cl)N AB67350 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.113 CC(c1ccnc(c1)Cl)N AB67353 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.113 CN(C)c1cc(ccn1)Br AB64930 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.113 CN(C)c1cc(ccn1)Cl AB49336 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.113 CN(C)c1cc(ccn1)O MB15076 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.113 CN(C)c1cc(cnc1)Br MB12044 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.113 CN(C)c1cc(cnc1)O MB24985 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.113 CN(C)c1cccc(n1)Br AB54123 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.113 CN(C)c1cccc(n1)Cl AB67484 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.113 CN(C)c1ccnc(c1)Br CB11468 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.113 CN(C)c1ccnc(c1)Cl MB06813 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.113 C[C@@H](c1cccc(c1)N)N AB29091 [0,1,0,0,0,0|1,0,0]=2 273 B10R1.113 C[C@@H](c1ccnc(c1)Cl)N AB49742 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [0,1,0,0,0,0|1,0,0]=2 275 B10R1.113 C[C@H](c1ccnc(c1)Cl)N AB49740 [0,1,0,0,0,0|2,0,0]=3 276 B10R1.113 Cc1cc(ccn1)C(=O)C AB41122 [0,1,0,0,0,0|1,1,1]=4 277 B10R1.113 Cc1cc(ccn1)C(C)N AB66941 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.113 Cc1cccc(c1)C(=N)N AB11452 [0,1,0,0,0,0|2,0,1]=4 279 B10R1.113 Cc1cccc(c1)C(=S)N AB08506 [0,1,0,0,0,0|1,0,2]=4 280 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [0,1,0,0,0,0|1,1,1]=4 281 B10R1.113 Cc1cccc(n1)C(C)N AB25816 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [0,1,0,0,0,0|1,1,1]=4 283 B10R1.113 Cc1ccnc(n1)C(C)N AB59470 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.113 c1c(cncc1Br)C(F)F AB70752 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.113 c1c(cncc1N)C(F)F AB75499 [0,1,0,0,0,0|3,0,0]=4 286 B10R1.113 c1c(cncc1O)C(F)F AB85525 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.113 c1cc(cc(c1)Br)C(=N)N AB18330 [0,1,0,0,0,0|2,0,1]=4 288 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [0,1,0,0,0,0|1,1,1]=4 289 B10R1.113 c1cc(cc(c1)Br)C(=S)N AB21268 [0,1,0,0,0,0|1,0,2]=4 290 B10R1.113 c1cc(cc(c1)Cl)C(=S)N AB05898 [0,1,0,0,0,0|1,0,2]=4 291 B10R1.113 c1cc(cc(c1)F)C(=N)N AB18313 [0,1,0,0,0,0|2,0,1]=4 292 B10R1.113 c1cc(cc(c1)F)C(=S)N AB21276 [0,1,0,0,0,0|1,0,2]=4 293 B10R1.113 c1cc(cc(c1)N)C(=N)N AB01115 [0,1,0,0,0,0|2,0,1]=4 294 B10R1.113 c1cc(cc(c1)N)C(=S)N AB21283 [0,1,0,0,0,0|1,0,2]=4 295 B10R1.113 c1cc(cc(c1)O)C(=N)N AB55570 [0,1,0,0,0,0|2,0,1]=4 296 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [0,1,0,0,0,0|1,1,1]=4 297 B10R1.113 c1cc(nc(c1)Br)C(F)F AB70747 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.113 c1cnc(cc1Br)C(F)F AB74876 [0,1,0,0,0,0|3,0,0]=4 299 B10R2.6 c1cnc(nc1)C2CC2 PB25710 [0,0,0,1,0,0|3,0,0]=4 300 B8R1.7 CC(=O)c1ccsc1 PB17033 [0,0,0,0,1,0|1,1,1]=4 301 B8R1.7 CC(c1ccno1)N AB27932 [0,0,0,0,1,0|3,0,0]=4 302 B8R1.7 CC(c1ccoc1)N AB27902 [0,0,0,0,1,0|2,0,0]=3 303 B8R1.7 CC(c1ccoc1)N AB66830 [0,0,0,0,1,0|2,0,0]=3 304 B8R1.7 CC(c1cscn1)N AB27900 [0,0,0,0,1,0|3,0,0]=4 305 B8R1.7 CC(c1nccs1)N AB12719 [0,0,0,0,1,0|3,0,0]=4 306 B8R1.7 C[C@@H](c1nccs1)N AB66719 [0,0,0,0,1,0|3,0,0]=4 307 B8R1.7 C[C@H](c1nccs1)N AB68275 [0,0,0,0,1,0|3,0,0]=4 308 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [0,0,0,0,0,1|2,1,0]=4 309 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [0,0,0,0,0,1|1,1,1]=4 310 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [0,0,0,0,0,1|1,1,1]=4 311 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [0,0,0,0,0,1|1,1,1]=4 312 B10R1.18 CC(=O)Nc1ccncc1 AB06982 [0,0,0,0,0,1|1,1,1]=4 313 B10R1.18 CC(C)Oc1ccccn1 AB63711 [0,0,0,0,0,1|2,0,0]=3 314 B10R1.18 CC(Cc1ccccn1)N AB12969 [0,0,0,0,0,1|2,0,0]=3 315 B10R1.18 CC(Cc1cccnc1)N AB23775 [0,0,0,0,0,1|2,0,0]=3 316 B10R1.18 CC(Cc1ccncc1)N AB28531 [0,0,0,0,0,1|2,0,0]=3 317 B10R1.18 CC(Cc1cnccn1)N AB28467 [0,0,0,0,0,1|3,0,0]=4 318 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [0,0,0,0,0,1|1,0,0]=2 319 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [0,0,0,0,0,1|1,0,0]=2 320 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [0,0,0,0,0,1|2,0,1]=4 321 B7R1.3 Cc1cccnn1 PB33649 [2,0,0,0,0,0|2,0,0]=4 322 B7R1.3 Cc1ccncn1 PB17038 [2,0,0,0,0,0|2,0,0]=4 323 B7R1.3 Cc1ccnnc1 PB24546 [2,0,0,0,0,0|2,0,0]=4 324 B7R1.3 c1cc(cnc1)Br AB00739 [2,0,0,0,0,0|2,0,0]=4 325 B7R1.3 c1cc(cnc1)I AB01382 [2,0,0,0,0,0|2,0,0]=4 326 B7R1.3 c1cc(cnc1)[O-] MB00567 [2,0,0,0,0,0|1,1,0]=4 327 B7R1.3 c1ccnc(c1)Br AB00627 [2,0,0,0,0,0|2,0,0]=4 328 B7R1.3 c1cnccc1Br AB05093 [2,0,0,0,0,0|2,0,0]=4 329 B7R1.3 c1cnccc1I AB10861 [2,0,0,0,0,0|2,0,0]=4 330 B7R1.3 c1cnccc1O PB17041 [2,0,0,0,0,0|1,1,0]=4 331 B9R1.1 C#Cc1ccc(cc1)Cl PB21668 [1,1,0,0,0,0|0,0,2]=4 332 B9R1.1 CCc1ccc(cn1)N AB63590 [1,1,0,0,0,0|1,0,0]=3 333 B9R1.1 CCc1ccc(cn1)O MB03842 [1,1,0,0,0,0|1,0,0]=3 334 B9R1.1 CCc1ccc(nc1)Br MB10294 [1,1,0,0,0,0|1,0,0]=3 335 B9R1.1 CCc1cnc(cn1)Br AB64001 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.1 CCc1cnc(cn1)Cl AB73111 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.1 CCc1cnc(cn1)N AB60527 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.1 CCc1cnc(nc1)Cl PB27514 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.1 CCc1cnc(nc1)N AB51220 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.1 CCc1ncc(cn1)N PB12017 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.1 CNc1ccc(cn1)Br AB44353 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.1 CNc1ccc(cn1)Cl AB07756 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.1 CNc1ccc(cn1)O AB69733 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.1 CNc1ccc(nc1)Br MB01005 [1,1,0,0,0,0|2,0,0]=4 345 B9R1.1 CNc1ccc(nc1)Cl AB60605 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.1 COc1cc[n+](cc1)[O-] AB00619 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.1 COc1ccc(cn1)Br AB08771 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.1 COc1ccc(cn1)Cl AB23682 [1,1,0,0,0,0|2,0,0]=4 349 B9R1.1 COc1ccc(cn1)F AB13611 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.1 COc1ccc(cn1)N PB27370 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.1 COc1ccc(cn1)O CB10969 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.1 COc1ccc(nc1)Br PB22062 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.1 COc1ccc(nc1)Cl AB25956 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.1 COc1ccc(nc1)F AB66773 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.1 COc1ccc(nc1)I AB11726 [1,1,0,0,0,0|2,0,0]=4 356 B9R1.1 COc1ccc(nc1)N PB14487 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.1 CSc1ccc(cn1)Br AB14151 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.1 CSc1ccc(cn1)O MB25590 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.1 CSc1ccc(nc1)Br MB03440 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.1 Cc1ccc(cn1)CCl AB59938 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.1 Cc1ccc(cn1)CN PB20145 [1,1,0,0,0,0|2,0,0]=4 362 B9R1.1 Cc1ccc(cn1)OC AB52739 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.1 Cc1ccc(nc1)CCl AB59994 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.1 Cc1ccc(nc1)CN AB48926 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl MB03556 [1,1,0,0,0,0|1,0,1]=4 366 B9R1.1 c1cc(ccc1CBr)Br AB00113 [1,1,0,0,0,0|1,0,0]=3 367 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [1,1,0,0,0,0|1,0,0]=3 368 B9R1.1 c1cc(ccc1CI)O MB06957 [1,1,0,0,0,0|1,0,0]=3 369 B9R1.1 c1cc(ccc1CN)O AB11678 [1,1,0,0,0,0|1,0,0]=3 370 B9R1.1 c1cc(ncc1Br)CCl AB60010 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.1 c1cc(ncc1Br)CN AB23456 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.1 c1cc(ncc1Br)CO AB66533 [1,1,0,0,0,0|1,1,0]=4 373 B9R1.1 c1cc(ncc1Br)CO PB18645 [1,1,0,0,0,0|1,1,0]=4 374 B9R1.1 c1cc(ncc1CBr)F PB28287 [1,1,0,0,0,0|2,0,0]=4 375 B9R1.1 c1cc(ncc1CCl)Br AB59933 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.1 c1cc(ncc1CCl)Cl AB03513 [1,1,0,0,0,0|2,0,0]=4 377 B9R1.1 c1cc(ncc1CCl)Cl AB59950 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.1 c1cc(ncc1CCl)F PB13291 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.1 c1cc(ncc1CCl)N AB59930 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.1 c1cc(ncc1CN)Br AB27793 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.1 c1cc(ncc1CN)Cl PB17175 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.1 c1cc(ncc1CN)F PB19133 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.1 c1cc(ncc1CO)Br PB14409 [1,1,0,0,0,0|1,1,0]=4 384 B9R1.1 c1cc(ncc1CO)Cl PB17199 [1,1,0,0,0,0|1,1,0]=4 385 B9R1.1 c1cc(ncc1CO)F PB14327 [1,1,0,0,0,0|1,1,0]=4 386 B9R1.1 c1cc(ncc1CO)N PB26211 [1,1,0,0,0,0|1,1,0]=4 387 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.1 c1cc(ncc1Cl)CN AB60187 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.1 c1cc(ncc1Cl)CO AB56068 [1,1,0,0,0,0|1,1,0]=4 390 B9R1.1 c1cc(ncc1F)CCl AB62501 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.1 c1cc(ncc1F)CN AB60189 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.1 c1cc(ncc1F)CO PB22210 [1,1,0,0,0,0|1,1,0]=4 393 B9R1.1 c1cc(ncc1N)CN AB23447 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.1 c1cc(ncc1N)CO AB31872 [1,1,0,0,0,0|1,1,0]=4 395 B9R1.1 c1cc(ncc1O)CN MB14856 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.2 CCc1cc(ccn1)Br AB63995 [1,1,0,0,0,0|1,0,0]=3 397 B9R1.2 CCc1cc(ccn1)O MB11624 [1,1,0,0,0,0|1,0,0]=3 398 B9R1.2 CCc1cc(cnc1)Br PB34416 [1,1,0,0,0,0|1,0,0]=3 399 B9R1.2 CCc1cc(cnc1)O MB12329 [1,1,0,0,0,0|1,0,0]=3 400 B9R1.2 CCc1cc(ncn1)Br MB09510 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.2 CCc1cc(ncn1)Cl AB51253 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.2 CCc1cc(ncn1)N AB54955 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.2 CCc1cc(ncn1)O AB54953 [1,1,0,0,0,0|2,0,0]=4 404 B9R1.2 CCc1cccc(n1)Br MB10338 [1,1,0,0,0,0|1,0,0]=3 405 B9R1.2 CCc1nccc(n1)Cl AB51249 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.2 CNc1cc(ccn1)Br MB07801 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.2 CNc1cc(ccn1)O MB29569 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.2 CNc1cc(cnc1)Br MB13417 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.2 CNc1cc(cnc1)O MB32689 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.2 CNc1cccc(c1)O MB25493 [1,1,0,0,0,0|1,0,0]=3 411 B9R1.2 CNc1cccc(n1)Br AB50070 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.2 CNc1cccc(n1)Cl AB05190 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.2 CNc1ccnc(c1)Cl AB60612 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.2 COc1cc(ccn1)Br AB44876 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.2 COc1cc(ccn1)Cl AB27571 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.2 COc1cc(ccn1)F AB53299 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.2 COc1cc(ccn1)I MB06098 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.2 COc1cc(ccn1)N PB20942 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.2 COc1cc(ccn1)O MB11972 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.2 COc1cc(cnc1)Br PB24634 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.2 COc1cc(cnc1)Cl AB55073 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.2 COc1cc(cnc1)F AB66777 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.2 COc1cc(cnc1)I AB43793 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.2 COc1cc(cnc1)N PB12653 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.2 COc1cc(cnc1)N PB25488 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.2 COc1cc(cnc1)O AB29711 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.2 COc1cccc(n1)Cl AB00671 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.2 COc1cccc(n1)F AB55818 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.2 COc1cccc(n1)I AB31101 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.2 COc1cccc(n1)N AB21183 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.2 COc1cccc(n1)O AB31854 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.2 COc1ccnc(c1)Br AB23696 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.2 COc1ccnc(c1)Cl AB10868 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.2 COc1ccnc(c1)F AB66367 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.2 COc1ccnc(c1)N AB41933 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.2 CSc1cc(ccn1)Br MB09718 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.2 CSc1cc(ccn1)O MB36936 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.2 CSc1cc(cnc1)Br MB06469 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.2 CSc1cc(cnc1)O MB28894 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.2 CSc1cccc(n1)Br MB07302 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.2 Cc1cc(ccn1)CCl AB59910 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.2 Cc1cc(ccn1)CN AB25370 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.2 Cc1cc(cnc1)CCl AB55820 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.2 Cc1cc(cnc1)CN AB23459 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.2 Cc1cc(cnc1)CO PB10532 [1,1,0,0,0,0|1,1,0]=4 446 B9R1.2 Cc1cc(cnc1)OC AB64998 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.2 Cc1cccc(n1)CCl AB49651 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.2 Cc1cccc(n1)CN AB22796 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.2 Cc1cccc(n1)NC AB60602 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.2 Cc1ccnc(c1)CCl AB42303 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.2 Cc1ccnc(c1)CN AB23452 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.2 c1c(cncc1Br)CCl AB60029 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.2 c1c(cncc1Br)CCl PB25120 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.2 c1c(cncc1Br)CN PB23445 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.2 c1c(cncc1Br)CO PB29242 [1,1,0,0,0,0|1,1,0]=4 456 B9R1.2 c1c(cncc1Cl)CCl AB60038 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.2 c1c(cncc1Cl)CCl PB33259 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.2 c1c(cncc1Cl)CN AB63152 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.2 c1c(cncc1F)CCl PB35002 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.2 c1c(cncc1F)CN PB29533 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.2 c1c(cncc1F)CO PB12255 [1,1,0,0,0,0|1,1,0]=4 462 B9R1.2 c1c(cncc1I)CCl AB45545 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.2 c1c(cncc1I)CO AB45541 [1,1,0,0,0,0|1,1,0]=4 464 B9R1.2 c1c(cncc1N)CN AB31384 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.2 c1c(cncc1N)CO AB31625 [1,1,0,0,0,0|1,1,0]=4 466 B9R1.2 c1c(cncc1O)CN MB28837 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.2 c1cc(c[n+](c1)[O-])CCl AB59951 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [1,1,0,0,0,0|1,0,0]=3 469 B9R1.2 c1cc(cc(c1)Br)NN AB11945 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [1,1,0,0,0,0|1,0,0]=3 471 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [1,1,0,0,0,0|1,1,0]=4 475 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [1,1,0,0,0,0|1,1,0]=4 478 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.2 c1cc(nc(c1)F)CN AB66365 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.2 c1cc(nc(c1)I)CO AB42511 [1,1,0,0,0,0|1,1,0]=4 481 B9R1.2 c1cc(nc(c1)N)CO AB53761 [1,1,0,0,0,0|1,1,0]=4 482 B9R1.2 c1cnc(cc1Br)CCl AB67964 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.2 c1cnc(cc1Br)CN PB17414 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.2 c1cnc(cc1Br)CO PB31388 [1,1,0,0,0,0|1,1,0]=4 485 B9R1.2 c1cnc(cc1CCl)Br AB65254 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.2 c1cnc(cc1CCl)Cl AB55687 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.2 c1cnc(cc1CCl)Cl AB59906 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.2 c1cnc(cc1CCl)F AB59901 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.2 c1cnc(cc1CN)Br AB31307 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.2 c1cnc(cc1CN)Cl PB15828 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.2 c1cnc(cc1CN)F AB63132 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.2 c1cnc(cc1CN)F AB63135 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.2 c1cnc(cc1CN)N AB23468 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.2 c1cnc(cc1CO)Br AB17330 [1,1,0,0,0,0|1,1,0]=4 495 B9R1.2 c1cnc(cc1CO)Cl PB21002 [1,1,0,0,0,0|1,1,0]=4 496 B9R1.2 c1cnc(cc1CO)N PB33706 [1,1,0,0,0,0|1,1,0]=4 497 B9R1.2 c1cnc(cc1Cl)CCl AB42295 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.2 c1cnc(cc1Cl)CCl MB05829 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.2 c1cnc(cc1Cl)CN PB27784 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.2 c1cnc(cc1Cl)CO PB23493 [1,1,0,0,0,0|1,1,0]=4 501 B9R1.2 c1cnc(cc1F)CCl AB68051 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.2 c1cnc(cc1F)CN AB65162 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.2 c1cnc(cc1O)CN MB14853 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.8 C#CCc1ccccn1 AB73234 [1,1,0,0,0,0|1,0,1]=4 505 B9R1.8 C#CCc1cccnc1 AB61408 [1,1,0,0,0,0|1,0,1]=4 506 B9R1.8 CNCc1ccccn1 AB10674 [1,1,0,0,0,0|1,0,0]=3 507 B9R1.8 CNCc1cccnc1 AB01384 [1,1,0,0,0,0|1,0,0]=3 508 B9R1.8 CNCc1ccncc1 AB02721 [1,1,0,0,0,0|1,0,0]=3 509 B9R1.8 CNCc1ccnnc1 PB24326 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.8 CNCc1cnccn1 PB18749 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.8 CNCc1cncnc1 PB33284 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.8 CNCc1ncccn1 PB29842 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.8 c1c(cncn1)CCN AB45406 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.8 c1cc(cnc1)CCN AB04606 [1,1,0,0,0,0|1,0,0]=3 515 B9R1.8 c1cc(cnc1)CNN PB16271 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.8 c1cc(nnc1)CCN AB61130 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.8 c1ccc(cc1)NC#N MB01061 [1,1,0,0,0,0|1,0,1]=4 518 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,1,0,0,0,0|0,0,2]=4 519 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,1,0,0,0,0|0,1,1]=4 520 B9R1.8 c1ccnc(c1)CC#N AB00727 [1,1,0,0,0,0|1,0,1]=4 521 B9R1.8 c1ccnc(c1)CC=O AB61426 [1,1,0,0,0,0|1,0,1]=4 522 B9R1.8 c1ccnc(c1)CCN AB00732 [1,1,0,0,0,0|1,0,0]=3 523 B9R1.8 c1ccnc(c1)CNN PB19014 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.8 c1cnc(cn1)CCN AB22666 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.8 c1cnc(nc1)CCN AB55156 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.8 c1cnccc1CCN AB01702 [1,1,0,0,0,0|1,0,0]=3 527 B9R1.8 c1cnccc1CNN PB10342 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.8 c1cncnc1CCN PB14818 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.8 c1cnncc1CCN AB62610 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.15 C#Cc1ccccc1Br AB10375 [1,1,0,0,0,0|0,0,2]=4 531 B9R1.15 CCc1c(cccn1)Br AB68544 [1,1,0,0,0,0|1,0,0]=3 532 B9R1.15 CCc1c(cccn1)O MB01433 [1,1,0,0,0,0|1,0,0]=3 533 B9R1.15 CCc1c(cncn1)F PB21906 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.15 CCc1ccncc1O MB12325 [1,1,0,0,0,0|1,0,0]=3 535 B9R1.15 CCc1cnccc1Br PB37149 [1,1,0,0,0,0|1,0,0]=3 536 B9R1.15 CCc1cnccc1O MB24095 [1,1,0,0,0,0|1,0,0]=3 537 B9R1.15 CCc1cncnc1Cl AB62552 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.15 CNc1cccnc1Br AB39252 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.15 CNc1ccncc1O MB27525 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.15 CNc1cnccc1O MB29366 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.15 COc1c(cccn1)Br PB20024 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.15 COc1c(cccn1)Cl AB13603 [1,1,0,0,0,0|2,0,0]=4 543 B9R1.15 COc1c(cccn1)F AB13397 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.15 COc1c(cccn1)I AB13400 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.15 COc1c(cccn1)N AB07386 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.15 COc1c(cccn1)O AB06074 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.15 COc1cccnc1Br PB29151 [1,1,0,0,0,0|2,0,0]=4 548 B9R1.15 COc1cccnc1Cl AB14749 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.15 COc1cccnc1I AB05182 [1,1,0,0,0,0|2,0,0]=4 550 B9R1.15 COc1cccnc1N AB40614 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.15 COc1cccnc1O AB43293 [1,1,0,0,0,0|2,0,0]=4 552 B9R1.15 COc1ccncc1Br AB22230 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.15 COc1ccncc1Cl AB51203 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.15 COc1ccncc1F AB66775 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.15 COc1ccncc1I AB09106 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.15 COc1ccncc1N AB40817 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.15 COc1ccncc1O MB09117 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.15 COc1cnccc1Br AB43705 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.15 COc1cnccc1Br MB09674 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.15 COc1cnccc1Cl AB66368 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.15 COc1cnccc1F AB66590 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.15 COc1cnccc1N AB55709 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.15 COc1cnccc1O MB25455 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.15 CSc1c(cccn1)O MB01598 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.15 CSc1cccnc1Br MB13966 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.15 CSc1ccncc1O MB25632 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.15 CSc1cnccc1O MB31499 [1,1,0,0,0,0|2,0,0]=4 568 B9R1.15 Cc1c(cccn1)CBr PB19196 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.15 Cc1c(cccn1)CCl AB51469 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.15 Cc1c(cccn1)CCl PB28159 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.15 Cc1c(cccn1)CN AB14093 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.15 Cc1c(cccn1)CO AB01512 [1,1,0,0,0,0|1,1,0]=4 573 B9R1.15 Cc1c(cccn1)OC AB03569 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.15 Cc1cccnc1CCl PB32645 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.15 Cc1cccnc1CN AB20671 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.15 Cc1cccnc1CO AB12590 [1,1,0,0,0,0|1,1,0]=4 577 B9R1.15 Cc1cccnc1OC AB31414 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.15 Cc1ccncc1CCl PB22427 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.15 Cc1ccncc1CN PB14440 [1,1,0,0,0,0|2,0,0]=4 580 B9R1.15 Cc1ccncc1CO PB21746 [1,1,0,0,0,0|1,1,0]=4 581 B9R1.15 Cc1cnccc1CCl PB24122 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.15 Cc1cnccc1CN AB17090 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.15 Cc1cnccc1CO PB32359 [1,1,0,0,0,0|1,1,0]=4 584 B9R1.15 c1cc(c(nc1)Br)CBr MB06085 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.15 c1cc(c(nc1)Br)CCl AB60077 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [1,1,0,0,0,0|1,1,0]=4 588 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [1,1,0,0,0,0|2,0,0]=4 595 B9R1.15 c1cc(c(nc1)CN)F AB55320 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.15 c1cc(c(nc1)CN)F PB13118 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.15 c1cc(c(nc1)CN)N AB48448 [1,1,0,0,0,0|2,0,0]=4 598 B9R1.15 c1cc(c(nc1)CN)O MB01728 [1,1,0,0,0,0|2,0,0]=4 599 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [1,1,0,0,0,0|1,1,0]=4 600 B9R1.15 c1cc(c(nc1)CO)F PB22208 [1,1,0,0,0,0|1,1,0]=4 601 B9R1.15 c1cc(c(nc1)CO)N AB31896 [1,1,0,0,0,0|1,1,0]=4 602 B9R1.15 c1cc(c(nc1)CO)O MB00702 [1,1,0,0,0,0|1,1,0]=4 603 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [1,1,0,0,0,0|1,1,0]=4 605 B9R1.15 c1cc(c(nc1)F)CCl AB60073 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.15 c1cc(c(nc1)F)CN AB23466 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.15 c1cc(c(nc1)N)CCl AB21190 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.15 c1cc(c(nc1)N)CO PB32383 [1,1,0,0,0,0|1,1,0]=4 609 B9R1.15 c1cc(c(nc1)O)CO AB52938 [1,1,0,0,0,0|1,1,0]=4 610 B9R1.15 c1cc[n+](c(c1)CCl)[O-] AB59958 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [1,1,0,0,0,0|0,1,1]=4 612 B9R1.15 c1ccc(c(c1)CI)O MB07048 [1,1,0,0,0,0|1,0,0]=3 613 B9R1.15 c1ccc(c(c1)CN)O MB01565 [1,1,0,0,0,0|1,0,0]=3 614 B9R1.15 c1cncc(c1Br)CCl AB67965 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.15 c1cncc(c1Br)CN AB67954 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.15 c1cncc(c1CCl)Br AB67648 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.15 c1cncc(c1CCl)Cl AB67608 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.15 c1cncc(c1CCl)F AB67665 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.15 c1cncc(c1CN)Br AB63141 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.15 c1cncc(c1CN)Cl AB63139 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.15 c1cncc(c1CN)F AB63136 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.15 c1cncc(c1CN)N AB49287 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.15 c1cncc(c1CN)O MB09249 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.15 c1cncc(c1CO)Br PB19192 [1,1,0,0,0,0|1,1,0]=4 625 B9R1.15 c1cncc(c1CO)F PB29849 [1,1,0,0,0,0|1,1,0]=4 626 B9R1.15 c1cncc(c1CO)N AB25787 [1,1,0,0,0,0|1,1,0]=4 627 B9R1.15 c1cncc(c1Cl)CCl AB60091 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.15 c1cncc(c1Cl)CN AB49675 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.15 c1cncc(c1F)CCl AB68054 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.15 c1cncc(c1F)CN AB68023 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.15 c1cncc(c1N)CCl AB31893 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.15 c1cncc(c1N)CO PB14435 [1,1,0,0,0,0|1,1,0]=4 633 B9R1.15 c1cncc(c1O)CN MB35531 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.11 c1cc(sc1)C(CO)N PB33213 [0,1,0,0,1,0|2,0,0]=4 635 B9R1.35 CC(c1cc(sc1)Cl)N PB38111 [0,1,0,0,1,0|2,0,0]=4 636 B9R1.35 CC(c1cc(sc1)Cl)O PB23084 [0,1,0,0,1,0|1,1,0]=4 637 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AB06566 [0,1,0,0,0,1|0,1,1]=4 638 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [0,1,0,0,0,1|1,0,0]=3 639 B11R1.20 CC(C)Oc1ccc(cn1)Br MB04495 [0,1,0,0,0,1|2,0,0]=4 640 B11R1.20 CC(C)Oc1ccc(cn1)N AB40632 [0,1,0,0,0,1|2,0,0]=4 641 B11R1.20 CC(C)Oc1ccc(cn1)O MB23136 [0,1,0,0,0,1|2,0,0]=4 642 B11R1.20 CC(C)Oc1ccc(nc1)Br MB13762 [0,1,0,0,0,1|2,0,0]=4 643 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [0,1,0,0,0,1|1,0,0]=3 644 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [0,1,0,0,0,1|1,0,0]=3 645 B11R1.20 CN(C)Cc1ccc(cc1)Br AB01531 [0,1,0,0,0,1|2,0,0]=4 646 B11R1.20 CN(C)Cc1ccc(cc1)N AB01571 [0,1,0,0,0,1|2,0,0]=4 647 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [0,1,0,0,0,1|1,0,0]=3 648 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [0,1,0,0,0,1|1,0,0]=3 649 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [0,1,0,0,0,1|1,0,0]=3 650 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [0,1,0,0,0,1|1,0,0]=3 651 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [0,1,0,0,0,1|1,0,0]=3 652 B11R1.36 c1ccc(cc1)C(C(F)F)N AB28541 [0,1,0,0,0,1|2,0,0]=4 653 B11R1.40 CC(CN)Oc1ccccc1 AB03575 [0,1,0,0,0,1|1,0,0]=3 654 B11R1.40 CC(CN)Oc1cccnc1 AB16397 [0,1,0,0,0,1|2,0,0]=4 655 B11R1.40 CC(CN)Oc1ccncc1 AB38917 [0,1,0,0,0,1|2,0,0]=4 656 B11R1.40 CC(Cc1ccccc1)CN CB11363 [0,1,0,0,0,1|1,0,0]=3 657 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [0,1,0,0,0,1|1,0,1]=4 658 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [0,1,0,0,0,1|1,0,0]=3 659 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [0,1,0,0,0,1|1,0,0]=3 660 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [0,1,0,0,0,1|1,0,0]=3 661 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [0,1,0,0,0,1|1,0,0]=3 662 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [0,1,0,0,0,1|1,0,0]=3 663 B11R1.86 CC(=O)Nc1ccccc1O AB00212 [0,1,0,0,0,1|0,1,1]=4 664 B11R1.86 CC(C)Oc1c(cccn1)I AB25867 [0,1,0,0,0,1|2,0,0]=4 665 B11R1.86 CC(C)Oc1c(cccn1)O MB23249 [0,1,0,0,0,1|2,0,0]=4 666 B11R1.86 CC(C)Oc1ccncc1O MB23246 [0,1,0,0,0,1|2,0,0]=4 667 B11R1.86 CC(C)Oc1cnccc1O MB23247 [0,1,0,0,0,1|2,0,0]=4 668 B11R1.86 CC(Cc1ccccc1Br)N MB08211 [0,1,0,0,0,1|1,0,0]=3 669 B11R1.86 CC(Cc1ccccc1Cl)N MB06204 [0,1,0,0,0,1|1,0,0]=3 670 B11R1.86 CN(C)Cc1ccccc1Br AB01037 [0,1,0,0,0,1|2,0,0]=4 671 B11R1.86 CN(C)Cc1ccccc1N AB01574 [0,1,0,0,0,1|2,0,0]=4 672 B11R1.86 Cc1ccccc1CC(C)N MB01550 [0,1,0,0,0,1|1,0,0]=3 673 B11R1.157 CC(=O)Nc1cccc(c1)O AB00216 [0,1,0,0,0,1|0,1,1]=4 674 B11R1.157 CC(C)Nc1cc(ccn1)Br MB13934 [0,1,0,0,0,1|2,0,0]=4 675 B11R1.157 CC(C)Oc1cc(ccn1)Br MB10313 [0,1,0,0,0,1|2,0,0]=4 676 B11R1.157 CC(C)Oc1cc(ccn1)O MB23248 [0,1,0,0,0,1|2,0,0]=4 677 B11R1.157 CC(C)Oc1cc(cnc1)Br MB14161 [0,1,0,0,0,1|2,0,0]=4 678 B11R1.157 CC(C)Oc1cc(cnc1)O MB14428 [0,1,0,0,0,1|2,0,0]=4 679 B11R1.157 CC(C)Oc1cccc(c1)O MB09279 [0,1,0,0,0,1|1,0,0]=3 680 B11R1.157 CC(C)Oc1cccc(n1)Br AB54102 [0,1,0,0,0,1|2,0,0]=4 681 B11R1.157 CC(C)Oc1ccnc(c1)Cl MB13766 [0,1,0,0,0,1|2,0,0]=4 682 B11R1.157 CC(Cc1cccc(c1)Br)N MB06206 [0,1,0,0,0,1|1,0,0]=3 683 B11R1.157 CC(Cc1cccc(c1)Cl)N MB06208 [0,1,0,0,0,1|1,0,0]=3 684 B11R1.157 CN(C)Cc1cccc(c1)Br AB20761 [0,1,0,0,0,1|2,0,0]=4 685 B11R1.157 CN(C)Cc1cccc(c1)N AB01577 [0,1,0,0,0,1|2,0,0]=4 686 B11R1.157 C[C@@H](Cc1cccc(c1)Br)N AB76444 [0,1,0,0,0,1|1,0,0]=3 687 B11R1.157 C[C@@H](Cc1cccc(c1)F)N AB76436 [0,1,0,0,0,1|1,0,0]=3 688 B11R1.157 C[C@H](Cc1cccc(c1)Br)N AB76430 [0,1,0,0,0,1|1,0,0]=3 689 B11R1.157 Cc1cccc(c1)CC(C)N MB05181 [0,1,0,0,0,1|1,0,0]=3 690 B11R1.157 Cc1cccc(c1)NC(=O)C AB01179 [0,1,0,0,0,1|0,1,1]=4 691 B11R1.509 CC(C)(C)Oc1cccnc1 MB01044 [0,1,0,0,0,1|2,0,0]=4 692 B11R1.509 CC(C)(Cc1ccccc1)N AB02355 [0,1,0,0,0,1|1,0,0]=3 693 B11R1.509 CC(C)(Cc1ccccn1)N AB76319 [0,1,0,0,0,1|2,0,0]=4 694 B11R1.509 CC(C)(Cc1cccnc1)N AB77415 [0,1,0,0,0,1|2,0,0]=4 695 B11R1.509 CC(C)(Cc1ccncc1)N AB76603 [0,1,0,0,0,1|2,0,0]=4 696 B11R1.3 CC(=O)c1ccc(cc1)C#C AB21444 [0,2,0,0,0,0|0,1,1]=4 697 B11R1.3 CC(c1ccc(nc1)OC)N AB67099 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.3 CN(C)c1ccc(cc1)CO AB16431 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.19 CC(C)(C)c1ccc(cn1)Br MB10118 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.19 CC(C)(C)c1ccc(cn1)Cl AB71814 [0,2,0,0,0,0|2,0,0]=4 701 B11R1.19 CC(C)(C)c1ccc(cn1)O MB11628 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.19 CC(C)(C)c1ccc(nc1)Br MB10299 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.19 CC(C)(c1ccc(cc1)Br)N AB29702 [0,2,0,0,0,0|1,0,0]=3 704 B11R1.19 CC(C)(c1ccc(cc1)Cl)N AB45929 [0,2,0,0,0,0|1,0,0]=3 705 B11R1.19 CC(C)(c1ccc(cc1)F)N AB42400 [0,2,0,0,0,0|1,0,0]=3 706 B11R1.19 CC(C)(c1ccc(nc1)Cl)N AB67365 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.19 CS(=O)(=O)c1ccc(cc1)Br AB01453 [0,2,0,0,0,0|1,1,0]=4 708 B11R1.19 CS(=O)(=O)c1ccc(cc1)I AB07768 [0,2,0,0,0,0|1,1,0]=4 709 B11R1.19 CS(=O)(=O)c1ccc(cc1)N AB01467 [0,2,0,0,0,0|1,1,0]=4 710 B11R1.19 CS(=O)(=O)c1ccc(cc1)O AB02067 [0,2,0,0,0,0|1,1,0]=4 711 B11R1.19 Cc1ccc(cc1)C(C)(C)N AB45930 [0,2,0,0,0,0|1,0,0]=3 712 B11R1.19 Cc1ccc(cn1)C(C)(C)N AB66958 [0,2,0,0,0,0|2,0,0]=4 713 B11R1.19 c1cc(ccc1C(F)(F)F)I AB01779 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.21 CC(C)c1ccc(c(c1)Cl)O MB22550 [0,2,0,0,0,0|1,0,0]=3 715 B11R1.21 CC(C)c1ccc(c(c1)F)O MB22546 [0,2,0,0,0,0|1,0,0]=3 716 B11R1.21 CC(C)c1ccc(c(c1)I)O MB22548 [0,2,0,0,0,0|1,0,0]=3 717 B11R1.21 CC(C)c1ccc(c(c1)O)Br MB09104 [0,2,0,0,0,0|1,0,0]=3 718 B11R1.21 CC(C)c1ccc(c(c1)O)Cl MB22599 [0,2,0,0,0,0|1,0,0]=3 719 B11R1.21 CC(C)c1ccc(c(c1)O)F MB22510 [0,2,0,0,0,0|1,0,0]=3 720 B11R1.21 CC(C)c1ccc(c(c1)O)I MB14755 [0,2,0,0,0,0|1,0,0]=3 721 B11R1.21 CC(C)c1ccc(c(c1)O)N MB22521 [0,2,0,0,0,0|1,0,0]=3 722 B11R1.21 CC(C)c1ccc(c(n1)Cl)N AB73366 [0,2,0,0,0,0|2,0,0]=4 723 B11R1.21 CC(C)c1ccc(c(n1)F)F AB73369 [0,2,0,0,0,0|2,0,0]=4 724 B11R1.21 CC(C)c1ccc(c(n1)N)N AB73420 [0,2,0,0,0,0|2,0,0]=4 725 B11R1.21 CN(C)c1ccc(c(c1)Br)O MB24862 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.21 CN(C)c1ccc(c(c1)Cl)O MB24865 [0,2,0,0,0,0|2,0,0]=4 727 B11R1.21 CN(C)c1ccc(c(c1)F)O MB24855 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.21 CN(C)c1ccc(c(c1)I)O MB24856 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.21 CN(C)c1ccc(c(c1)N)O MB24858 [0,2,0,0,0,0|2,0,0]=4 730 B11R1.21 CN(C)c1ccc(c(c1)O)Br MB24903 [0,2,0,0,0,0|2,0,0]=4 731 B11R1.21 CN(C)c1ccc(c(c1)O)Cl MB24907 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.21 CN(C)c1ccc(c(c1)O)F MB24813 [0,2,0,0,0,0|2,0,0]=4 733 B11R1.21 CN(C)c1ccc(c(c1)O)I MB24818 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.21 CN(C)c1ccc(c(c1)O)N MB24826 [0,2,0,0,0,0|2,0,0]=4 735 B11R1.21 Cc1cc(ccc1O)C(C)C MB22526 [0,2,0,0,0,0|1,0,0]=3 736 B11R1.21 Cc1cc(ccc1O)N(C)C MB23339 [0,2,0,0,0,0|2,0,0]=4 737 B11R1.21 Cc1ccc(cc1O)C(C)C MB00118 [0,2,0,0,0,0|1,0,0]=3 738 B11R1.21 Cc1ccc(cc1O)N(C)C MB23415 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [0,2,0,0,0,0|0,1,1]=4 740 B11R1.22 COC(=N)c1ccc(cc1)F AB60956 [0,2,0,0,0,0|1,0,1]=4 741 B11R1.22 COC(=N)c1ccc(cc1)N AB60980 [0,2,0,0,0,0|1,0,1]=4 742 B11R1.22 COC(=N)c1ccc(cc1)O AB01949 [0,2,0,0,0,0|1,0,1]=4 743 B11R1.22 COS(=O)c1ccc(cc1)Cl AB45287 [0,2,0,0,0,0|1,1,0]=4 744 B11R1.22 C[C@@H](CN)c1ccc(cc1)Br AB85104 [0,2,0,0,0,0|1,0,0]=3 745 B11R1.22 C[C@H](CN)c1ccc(cc1)Br AB85095 [0,2,0,0,0,0|1,0,0]=3 746 B11R1.22 C[C@H](CN)c1ccc(cc1)F AB85098 [0,2,0,0,0,0|1,0,0]=3 747 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [0,2,0,0,0,0|0,1,1]=4 748 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [0,2,0,0,0,0|0,1,1]=4 749 B11R1.166 CC(=O)c1ccc(cc1F)Br MB02747 [0,2,0,0,0,0|0,1,1]=4 750 B11R1.166 CC(=O)c1ccc(cc1F)N MB05492 [0,2,0,0,0,0|0,1,1]=4 751 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [0,2,0,0,0,0|0,1,1]=4 752 B11R1.166 CC(C)c1ccc(cc1Br)O MB22589 [0,2,0,0,0,0|1,0,0]=3 753 B11R1.166 CC(C)c1ccc(cc1Cl)O MB22592 [0,2,0,0,0,0|1,0,0]=3 754 B11R1.166 CC(C)c1ccc(cc1F)O MB22574 [0,2,0,0,0,0|1,0,0]=3 755 B11R1.166 CC(C)c1ccc(cc1I)O MB22578 [0,2,0,0,0,0|1,0,0]=3 756 B11R1.166 CC(C)c1ccc(cc1O)Br MB22598 [0,2,0,0,0,0|1,0,0]=3 757 B11R1.166 CC(C)c1ccc(cc1O)Cl MB22600 [0,2,0,0,0,0|1,0,0]=3 758 B11R1.166 CC(C)c1ccc(cc1O)F MB22513 [0,2,0,0,0,0|1,0,0]=3 759 B11R1.166 CC(C)c1ccc(cc1O)I MB22516 [0,2,0,0,0,0|1,0,0]=3 760 B11R1.166 CC(C)c1ccc(cc1O)N MB22522 [0,2,0,0,0,0|1,0,0]=3 761 B11R1.166 CN(C)c1ccc(cc1Br)O MB24896 [0,2,0,0,0,0|2,0,0]=4 762 B11R1.166 CN(C)c1ccc(cc1Cl)O MB24897 [0,2,0,0,0,0|2,0,0]=4 763 B11R1.166 CN(C)c1ccc(cc1F)O MB24879 [0,2,0,0,0,0|2,0,0]=4 764 B11R1.166 CN(C)c1ccc(cc1I)O MB24881 [0,2,0,0,0,0|2,0,0]=4 765 B11R1.166 CN(C)c1ccc(cc1N)O MB24885 [0,2,0,0,0,0|2,0,0]=4 766 B11R1.166 CN(C)c1ccc(cc1O)Br MB24904 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.166 CN(C)c1ccc(cc1O)Cl MB24909 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.166 CN(C)c1ccc(cc1O)F MB24817 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.166 CN(C)c1ccc(cc1O)I MB24820 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.166 CN(C)c1ccc(cc1O)N MB24828 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.166 Cc1cc(ccc1N(C)C)Br AB31930 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.166 Cc1cc(ccc1N(C)C)O MB08301 [0,2,0,0,0,0|2,0,0]=4 773 B11R1.166 Cc1ccc(c(c1)O)C(C)C MB00129 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.166 Cc1ccc(c(c1)O)N(C)C MB23428 [0,2,0,0,0,0|2,0,0]=4 775 B11R1.7 CC(C)(CN)c1ccccc1 CB10869 [0,2,0,0,0,0|1,0,0]=3 776 B11R1.7 CC(C)(CN)c1ccccn1 AB63159 [0,2,0,0,0,0|2,0,0]=4 777 B11R1.7 CC(C)(CN)c1cccnc1 AB65048 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.7 CC(C)(CN)c1ccncc1 AB65050 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.7 CC(CN)(c1ccccc1)O AB18534 [0,2,0,0,0,0|0,1,0]=3 780 B11R1.7 CC(CN)(c1ccccc1)O AB31018 [0,2,0,0,0,0|0,1,0]=3 781 B11R1.7 c1cc(cnc1)C(CN)(F)F AB63158 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.7 c1ccc(cc1)C(CN)(F)F AB63157 [0,2,0,0,0,0|1,0,0]=3 783 B11R1.7 c1ccnc(c1)C(CN)(F)F PB32694 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.7 c1ccnc(c1)C(CO)(F)F PB29587 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.16 CN(CCBr)c1ccccc1 AB60657 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.16 CN(CCN)c1ccccc1 AB02070 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [0,2,0,0,0,0|0,1,1]=4 788 B11R1.16 C[C@@H](c1ccccc1)N=C=O AB00191 [0,2,0,0,0,0|0,1,0]=3 789 B11R1.16 C[C@H](c1ccccc1)N=C=O AB02484 [0,2,0,0,0,0|0,1,0]=3 790 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [0,2,0,0,0,0|0,1,1]=4 791 B11R1.16 c1ccc(cc1)C(CCO)N AB07310 [0,2,0,0,0,0|1,0,0]=3 792 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [0,2,0,0,0,0|0,1,1]=4 793 B11R1.23 COC(=N)c1cccc(c1)Br AB60887 [0,2,0,0,0,0|1,0,1]=4 794 B11R1.23 COC(=N)c1cccc(c1)Cl AB60959 [0,2,0,0,0,0|1,0,1]=4 795 B11R1.23 COC(=N)c1cccc(c1)N AB60976 [0,2,0,0,0,0|1,0,1]=4 796 B11R1.23 COC(=N)c1cccc(c1)O AB60982 [0,2,0,0,0,0|1,0,1]=4 797 B11R1.23 COC(=O)c1cccc(c1)Cl AB00128 [0,2,0,0,0,0|0,1,1]=4 798 B11R1.23 C[C@@H](CN)c1cccc(c1)Br AB85102 [0,2,0,0,0,0|1,0,0]=3 799 B11R1.23 C[C@H](CN)c1cccc(c1)Br AB85093 [0,2,0,0,0,0|1,0,0]=3 800 B11R1.23 c1cc(cc(c1)N)C(=O)CBr AB27803 [0,2,0,0,0,0|0,1,1]=4 801 B11R1.222 CCC(=O)c1ccccc1F MB00205 [0,2,0,0,0,0|0,1,1]=4 802 B11R1.222 CNC(=O)c1ccccc1O MB00422 [0,2,0,0,0,0|0,1,1]=4 803 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [0,2,0,0,0,0|1,0,1]=4 804 B11R1.222 COC(=N)c1ccccc1F AB60966 [0,2,0,0,0,0|1,0,1]=4 805 B11R1.222 COC(=N)c1ccccc1O AB60984 [0,2,0,0,0,0|1,0,1]=4 806 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [0,2,0,0,0,0|1,0,1]=4 807 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [0,2,0,0,0,0|0,1,1]=4 808 B11R1.87 CC(C)(C)c1c(cccn1)O MB01150 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.87 CC(C)(C)c1ccccc1N MB00719 [0,2,0,0,0,0|1,0,0]=3 810 B11R1.87 CC(C)(C)c1ccncc1O MB21867 [0,2,0,0,0,0|2,0,0]=4 811 B11R1.87 CC(C)(C)c1cnccc1O MB21874 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.87 CC(C)(c1ccccc1Br)N AB63424 [0,2,0,0,0,0|1,0,0]=3 813 B11R1.87 CC(C)(c1ccccc1Cl)N AB64318 [0,2,0,0,0,0|1,0,0]=3 814 B11R1.87 CC(C)(c1cccnc1Cl)N AB67370 [0,2,0,0,0,0|2,0,0]=4 815 B11R1.87 C[Si](C)(C)c1ccccc1O AB54787 [0,2,0,0,0,0|1,1,0]=4 816 B11R1.87 Cc1c(cccn1)C(C)(C)N AB66961 [0,2,0,0,0,0|2,0,0]=4 817 B11R1.155 CC(C)(C)c1cc(ccn1)N AB09613 [0,2,0,0,0,0|2,0,0]=4 818 B11R1.155 CC(C)(C)c1cc(ccn1)O MB14971 [0,2,0,0,0,0|2,0,0]=4 819 B11R1.155 CC(C)(C)c1cc(cnc1)Br MB14165 [0,2,0,0,0,0|2,0,0]=4 820 B11R1.155 CC(C)(C)c1cc(cnc1)O MB21871 [0,2,0,0,0,0|2,0,0]=4 821 B11R1.155 CC(C)(C)c1cccc(n1)Br AB50812 [0,2,0,0,0,0|2,0,0]=4 822 B11R1.155 CC(C)(C)c1ccnc(c1)Br AB63997 [0,2,0,0,0,0|2,0,0]=4 823 B11R1.155 CC(C)(C)c1ccnc(c1)Cl AB65343 [0,2,0,0,0,0|2,0,0]=4 824 B11R1.155 CC(C)(C)c1ccnc(c1)N AB45314 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.155 CC(C)(c1cc(cnc1)Br)N PB25668 [0,2,0,0,0,0|2,0,0]=4 826 B11R1.155 CC(C)(c1cccc(c1)Br)N AB63427 [0,2,0,0,0,0|1,0,0]=3 827 B11R1.155 CC(C)(c1cccc(c1)Cl)N AB54659 [0,2,0,0,0,0|1,0,0]=3 828 B11R1.155 CC(C)(c1cccc(c1)F)N AB64314 [0,2,0,0,0,0|1,0,0]=3 829 B11R1.155 CC(C)(c1cccc(n1)Cl)N AB67363 [0,2,0,0,0,0|2,0,0]=4 830 B11R1.155 CC(C)(c1ccnc(c1)Cl)N AB67368 [0,2,0,0,0,0|2,0,0]=4 831 B11R1.155 CS(=O)(=O)c1cccc(c1)I AB07764 [0,2,0,0,0,0|1,1,0]=4 832 B11R1.155 Cc1cc(ccn1)C(C)(C)N AB66959 [0,2,0,0,0,0|2,0,0]=4 833 B11R1.155 Cc1cccc(c1)C(C)(C)N AB51569 [0,2,0,0,0,0|1,0,0]=3 834 B11R1.155 Cc1cccc(n1)C(C)(C)N AB66956 [0,2,0,0,0,0|2,0,0]=4 835 B11R1.155 c1cc(cc(c1)I)C(F)(F)F AB00129 [0,2,0,0,0,0|2,0,0]=4 836 B11R1.53 CC(C)c1cccnc1C=O AB65916 [0,2,0,0,0,0|2,0,0]=4 837 B11R1.53 CC(C)c1cccnc1CO AB65913 [0,2,0,0,0,0|2,0,0]=4 838 B11R1.53 CC(c1cccnc1OC)N AB67098 [0,2,0,0,0,0|2,0,0]=4 839 B11R1.53 CC(c1cnccc1OC)N AB67900 [0,2,0,0,0,0|2,0,0]=4 840 B11R1.156 CC(C)c1c(cccc1Br)O MB22335 [0,2,0,0,0,0|1,0,0]=3 841 B11R1.156 CC(C)c1c(cccc1Cl)O MB22338 [0,2,0,0,0,0|1,0,0]=3 842 B11R1.156 CC(C)c1c(cccc1F)O MB22319 [0,2,0,0,0,0|1,0,0]=3 843 B11R1.156 CC(C)c1c(cccc1I)O MB22320 [0,2,0,0,0,0|1,0,0]=3 844 B11R1.156 CC(C)c1c(cccc1O)N MB22301 [0,2,0,0,0,0|1,0,0]=3 845 B11R1.156 CN(C)c1c(cccc1Br)O MB24668 [0,2,0,0,0,0|2,0,0]=4 846 B11R1.156 CN(C)c1c(cccc1Cl)O MB24669 [0,2,0,0,0,0|2,0,0]=4 847 B11R1.156 CN(C)c1c(cccc1F)O MB24657 [0,2,0,0,0,0|2,0,0]=4 848 B11R1.156 CN(C)c1c(cccc1I)O MB24659 [0,2,0,0,0,0|2,0,0]=4 849 B11R1.156 CN(C)c1c(cccc1O)N MB24642 [0,2,0,0,0,0|2,0,0]=4 850 B11R1.156 Cc1cccc(c1C(C)C)O MB22300 [0,2,0,0,0,0|1,0,0]=3 851 B11R1.156 Cc1cccc(c1N(C)C)O MB00361 [0,2,0,0,0,0|2,0,0]=4 852 B11R1.159 CC(=O)c1cccc(c1F)Br PB23641 [0,2,0,0,0,0|0,1,1]=4 853 B11R1.159 CC(=O)c1cccc(c1F)O AB69664 [0,2,0,0,0,0|0,1,1]=4 854 B11R1.159 CC(=O)c1cccc(c1O)Br AB43855 [0,2,0,0,0,0|0,1,1]=4 855 B11R1.159 CC(C)c1cccc(c1Br)O MB22666 [0,2,0,0,0,0|1,0,0]=3 856 B11R1.159 CC(C)c1cccc(c1Cl)O MB22669 [0,2,0,0,0,0|1,0,0]=3 857 B11R1.159 CC(C)c1cccc(c1F)O MB22646 [0,2,0,0,0,0|1,0,0]=3 858 B11R1.159 CC(C)c1cccc(c1I)O MB22650 [0,2,0,0,0,0|1,0,0]=3 859 B11R1.159 CC(C)c1cccc(c1N)O MB22652 [0,2,0,0,0,0|1,0,0]=3 860 B11R1.159 CC(C)c1cccc(c1O)Br MB22674 [0,2,0,0,0,0|1,0,0]=3 861 B11R1.159 CC(C)c1cccc(c1O)Cl MB22677 [0,2,0,0,0,0|1,0,0]=3 862 B11R1.159 CC(C)c1cccc(c1O)F MB22618 [0,2,0,0,0,0|1,0,0]=3 863 B11R1.159 CC(C)c1cccc(c1O)I MB22620 [0,2,0,0,0,0|1,0,0]=3 864 B11R1.159 CC(C)c1cccc(c1O)N MB06197 [0,2,0,0,0,0|1,0,0]=3 865 B11R1.159 CN(C)c1cccc(c1Br)O MB24971 [0,2,0,0,0,0|2,0,0]=4 866 B11R1.159 CN(C)c1cccc(c1Cl)O MB24972 [0,2,0,0,0,0|2,0,0]=4 867 B11R1.159 CN(C)c1cccc(c1F)O MB24959 [0,2,0,0,0,0|2,0,0]=4 868 B11R1.159 CN(C)c1cccc(c1I)O MB24960 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.159 CN(C)c1cccc(c1N)O MB24961 [0,2,0,0,0,0|2,0,0]=4 870 B11R1.159 CN(C)c1cccc(c1O)Br MB24976 [0,2,0,0,0,0|2,0,0]=4 871 B11R1.159 CN(C)c1cccc(c1O)Cl MB24979 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.159 CN(C)c1cccc(c1O)F MB24926 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.159 CN(C)c1cccc(c1O)I MB24928 [0,2,0,0,0,0|2,0,0]=4 874 B11R1.159 CN(C)c1cccc(c1O)N MB24934 [0,2,0,0,0,0|2,0,0]=4 875 B11R1.159 Cc1c(cccc1O)C(C)C MB22624 [0,2,0,0,0,0|1,0,0]=3 876 B11R1.159 Cc1c(cccc1O)N(C)C MB33870 [0,2,0,0,0,0|2,0,0]=4 877 B11R1.159 Cc1cccc(c1O)C(C)C MB01563 [0,2,0,0,0,0|1,0,0]=3 878 B11R1.159 Cc1cccc(c1O)N(C)C MB23472 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.167 CC(=O)c1cc(ccc1Cl)N AB08220 [0,2,0,0,0,0|0,1,1]=4 880 B11R1.167 CC(=O)c1cc(ccc1F)Br AB64047 [0,2,0,0,0,0|0,1,1]=4 881 B11R1.167 CC(=O)c1cc(ccc1N)Br MB07776 [0,2,0,0,0,0|0,1,1]=4 882 B11R1.167 CC(=O)c1cc(ccc1O)Br AB04623 [0,2,0,0,0,0|0,1,1]=4 883 B11R1.167 CC(C)c1cc(ccc1Br)O MB14742 [0,2,0,0,0,0|1,0,0]=3 884 B11R1.167 CC(C)c1cc(ccc1Cl)O MB22457 [0,2,0,0,0,0|1,0,0]=3 885 B11R1.167 CC(C)c1cc(ccc1F)O MB22446 [0,2,0,0,0,0|1,0,0]=3 886 B11R1.167 CC(C)c1cc(ccc1I)O MB09273 [0,2,0,0,0,0|1,0,0]=3 887 B11R1.167 CC(C)c1cc(ccc1N)O MB22448 [0,2,0,0,0,0|1,0,0]=3 888 B11R1.167 CC(C)c1cc(ccc1O)Br MB00402 [0,2,0,0,0,0|1,0,0]=3 889 B11R1.167 CC(C)c1cc(ccc1O)Cl MB22459 [0,2,0,0,0,0|1,0,0]=3 890 B11R1.167 CC(C)c1cc(ccc1O)F MB22379 [0,2,0,0,0,0|1,0,0]=3 891 B11R1.167 CC(C)c1cc(ccc1O)I MB22381 [0,2,0,0,0,0|1,0,0]=3 892 B11R1.167 CC(C)c1cc(ccc1O)N MB22385 [0,2,0,0,0,0|1,0,0]=3 893 B11R1.167 CN(C)c1cc(ccc1Br)O MB24761 [0,2,0,0,0,0|2,0,0]=4 894 B11R1.167 CN(C)c1cc(ccc1Cl)O MB24764 [0,2,0,0,0,0|2,0,0]=4 895 B11R1.167 CN(C)c1cc(ccc1F)O MB24743 [0,2,0,0,0,0|2,0,0]=4 896 B11R1.167 CN(C)c1cc(ccc1I)O MB24745 [0,2,0,0,0,0|2,0,0]=4 897 B11R1.167 CN(C)c1cc(ccc1N)O MB24748 [0,2,0,0,0,0|2,0,0]=4 898 B11R1.167 CN(C)c1cc(ccc1O)Br MB24765 [0,2,0,0,0,0|2,0,0]=4 899 B11R1.167 CN(C)c1cc(ccc1O)Cl MB24769 [0,2,0,0,0,0|2,0,0]=4 900 B11R1.167 CN(C)c1cc(ccc1O)F MB24705 [0,2,0,0,0,0|2,0,0]=4 901 B11R1.167 CN(C)c1cc(ccc1O)I MB24708 [0,2,0,0,0,0|2,0,0]=4 902 B11R1.167 CN(C)c1cc(ccc1O)N MB24713 [0,2,0,0,0,0|2,0,0]=4 903 B11R1.167 Cc1ccc(c(c1)C(C)C)O MB00760 [0,2,0,0,0,0|1,0,0]=3 904 B11R1.167 Cc1ccc(c(c1)N(C)C)O MB23437 [0,2,0,0,0,0|2,0,0]=4 905 B11R1.167 Cc1ccc(cc1C(C)C)O MB22427 [0,2,0,0,0,0|1,0,0]=3 906 B11R1.167 Cc1ccc(cc1N(C)C)O MB06100 [0,2,0,0,0,0|2,0,0]=4 907 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br AB03014 [0,2,0,0,0,0|0,1,1]=4 908 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl AB68467 [0,2,0,0,0,0|0,1,1]=4 909 B11R1.74 CC(=O)c1cc(cc(c1)Br)F AB64734 [0,2,0,0,0,0|0,1,1]=4 910 B11R1.74 CC(=O)c1cc(cc(c1)Br)O AB77772 [0,2,0,0,0,0|0,1,1]=4 911 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl AB02007 [0,2,0,0,0,0|0,1,1]=4 912 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F AB20622 [0,2,0,0,0,0|0,1,1]=4 913 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O AB66008 [0,2,0,0,0,0|0,1,1]=4 914 B11R1.74 CC(=O)c1cc(cc(c1)F)F AB01921 [0,2,0,0,0,0|0,1,1]=4 915 B11R1.74 CC(=O)c1cc(cc(c1)F)O AB70439 [0,2,0,0,0,0|0,1,1]=4 916 B11R1.74 CC(=O)c1cc(cc(c1)I)Br AB12532 [0,2,0,0,0,0|0,1,1]=4 917 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl AB77751 [0,2,0,0,0,0|0,1,1]=4 918 B11R1.74 CC(=O)c1cc(cc(c1)I)F AB77745 [0,2,0,0,0,0|0,1,1]=4 919 B11R1.74 CC(=O)c1cc(cc(c1)I)I AB77773 [0,2,0,0,0,0|0,1,1]=4 920 B11R1.74 CC(=O)c1cc(cc(c1)I)O AB77786 [0,2,0,0,0,0|0,1,1]=4 921 B11R1.74 CC(=O)c1cc(cc(c1)O)O AB00220 [0,2,0,0,0,0|0,1,1]=4 922 B11R1.74 CC(C)c1cc(cc(c1)Br)O MB22419 [0,2,0,0,0,0|1,0,0]=3 923 B11R1.74 CC(C)c1cc(cc(c1)Cl)O MB22423 [0,2,0,0,0,0|1,0,0]=3 924 B11R1.74 CC(C)c1cc(cc(c1)F)O MB22411 [0,2,0,0,0,0|1,0,0]=3 925 B11R1.74 CC(C)c1cc(cc(c1)I)O MB22414 [0,2,0,0,0,0|1,0,0]=3 926 B11R1.74 CC(C)c1cc(cc(c1)O)N MB22382 [0,2,0,0,0,0|1,0,0]=3 927 B11R1.74 CN(C)c1cc(cc(c1)Br)O MB11861 [0,2,0,0,0,0|2,0,0]=4 928 B11R1.74 CN(C)c1cc(cc(c1)Cl)O MB11856 [0,2,0,0,0,0|2,0,0]=4 929 B11R1.74 CN(C)c1cc(cc(c1)F)O MB24732 [0,2,0,0,0,0|2,0,0]=4 930 B11R1.74 CN(C)c1cc(cc(c1)I)O MB24733 [0,2,0,0,0,0|2,0,0]=4 931 B11R1.74 CN(C)c1cc(cc(c1)O)N MB24711 [0,2,0,0,0,0|2,0,0]=4 932 B11R1.74 Cc1cc(cc(c1)Br)C(=O)C AB76200 [0,2,0,0,0,0|0,1,1]=4 933 B11R1.74 Cc1cc(cc(c1)C(=O)C)C AB08165 [0,2,0,0,0,0|0,1,1]=4 934 B11R1.74 Cc1cc(cc(c1)Cl)C(=O)C AB64283 [0,2,0,0,0,0|0,1,1]=4 935 B11R1.74 Cc1cc(cc(c1)F)C(=O)C AB20635 [0,2,0,0,0,0|0,1,1]=4 936 B11R1.74 Cc1cc(cc(c1)I)C(=O)C AB71471 [0,2,0,0,0,0|0,1,1]=4 937 B11R1.74 Cc1cc(cc(c1)O)C(=O)C AB16910 [0,2,0,0,0,0|0,1,1]=4 938 B11R1.74 Cc1cc(cc(c1)O)N(C)C MB23375 [0,2,0,0,0,0|2,0,0]=4 939 B11R1.74 Cc1cc(nc(c1)Cl)C(C)C AB63918 [0,2,0,0,0,0|2,0,0]=4 940 B11R1.74 Cc1cc(nc(c1)O)C(C)C AB63914 [0,2,0,0,0,0|2,0,0]=4 941 B11R1.266 CC(=O)c1cccc(c1)C#C AB21440 [0,2,0,0,0,0|0,1,1]=4 942 B11R1.266 CC(C)c1cccc(c1)NN AB08020 [0,2,0,0,0,0|1,0,0]=3 943 B11R1.266 CC(C)c1cccc(n1)C#N PB25679 [0,2,0,0,0,0|2,0,0]=4 944 B11R1.266 CC(c1cccc(n1)OC)N AB67101 [0,2,0,0,0,0|2,0,0]=4 945 B11R1.266 CC(c1ccnc(c1)OC)N AB67104 [0,2,0,0,0,0|2,0,0]=4 946 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [0,0,0,1,0,1|1,0,0]=3 947 B11R2.10 Cn1cc2ccccc2n1 PB15684 [0,0,0,1,0,1|2,0,0]=4 948 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [0,0,0,1,0,1|0,1,1]=4 949 B11R2.10 c1ccc2c(c1)CC(C2)Br MB05045 [0,0,0,1,0,1|1,0,0]=3 950 B11R2.10 c1ccc2c(c1)CC(C2)N AB03106 [0,0,0,1,0,1|1,0,0]=3 951 B11R2.10 c1ccc2c(c1)CN(C2)N MB09229 [0,0,0,1,0,1|2,0,0]=4 952 B11R2.10 c1ccc2c(c1)nc(s2)Cl AB00527 [0,0,0,1,0,1|1,0,1]=4 953 B11R2.238 c1cc(cnc1)OC2CC2 MB19977 [0,0,0,1,0,1|2,0,0]=4 954 B11R2.238 c1ccnc(c1)OC2CC2 MB19961 [0,0,0,1,0,1|2,0,0]=4 955 B11R2.238 c1cnccc1OC2CC2 MB19994 [0,0,0,1,0,1|2,0,0]=4 956 B11R2.34 c1cc(ncc1Br)C2CC2 AB65328 [0,1,0,1,0,0|2,0,0]=4 957 B11R2.34 c1cc(ncc1C2CC2)Br MB10291 [0,1,0,1,0,0|2,0,0]=4 958 B11R2.1 B1(c2ccccc2CO1)O AB08148 [0,1,0,1,0,0|1,1,0]=4 959 B11R2.1 CN1CCc2c1cccc2 MB02030 [0,1,0,1,0,0|2,0,0]=4 960 B11R2.1 Cn1c2ccccc2cn1 PB18505 [0,1,0,1,0,0|2,0,0]=4 961 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [0,1,0,1,0,0|2,0,0]=4 962 B11R2.1 c1cc2c(nc1)OCC2N AB70106 [0,1,0,1,0,0|2,0,0]=4 963 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,1,0,1,0,0|0,1,1]=4 964 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [0,1,0,1,0,0|1,0,0]=3 965 B11R2.1 c1ccc2c(c1)C(N=N2)N MB69235 [0,1,0,1,0,0|2,0,0]=4 966 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [0,1,0,1,0,0|1,0,0]=3 967 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [0,1,0,1,0,0|2,0,0]=4 968 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [0,1,0,1,0,0|1,0,0]=3 969 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [0,1,0,1,0,0|1,0,0]=3 970 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [0,1,0,1,0,0|0,1,1]=4 971 B11R2.40 c1cc(cnc1)C2(CC2)N AB43088 [0,1,0,1,0,0|2,0,0]=4 972 B11R2.40 c1ccc(cc1)C2(CC2)N AB22505 [0,1,0,1,0,0|1,0,0]=3 973 B11R2.40 c1ccnc(c1)C2(CC2)N AB43090 [0,1,0,1,0,0|2,0,0]=4 974 B11R2.40 c1cnccc1C2(CC2)N AB55046 [0,1,0,1,0,0|2,0,0]=4 975 B11R2.55 c1ccc(c(c1)C2CO2)Cl MB07493 [0,1,0,1,0,0|0,1,0]=3 976 B11R2.35 c1c(cncc1Br)C2CC2 MB10375 [0,1,0,1,0,0|2,0,0]=4 977 B11R2.35 c1cc(cc(c1)F)C2CO2 MB07713 [0,1,0,1,0,0|0,1,0]=3 978 B11R2.35 c1cc(nc(c1)Br)C2CC2 MB09481 [0,1,0,1,0,0|2,0,0]=4 979 B11R2.35 c1cnc(cc1C2CC2)Cl MB11621 [0,1,0,1,0,0|2,0,0]=4 980 B7R1.1 CCC1=CN=CC1 AB31265 [1,0,0,0,1,0|1,0,1]=4 981 B7R1.1 c1cc(oc1)CCl MB06568 [1,0,0,0,1,0|2,0,0]=4 982 B7R1.1 c1cc(sc1)CN PB17027 [1,0,0,0,1,0|2,0,0]=4 983 B7R1.1 c1cc(sc1)CO PB10001 [1,0,0,0,1,0|1,1,0]=4 984 B7R1.1 c1cscc1CN AB13999 [1,0,0,0,1,0|2,0,0]=4 985 B7R1.1 c1cscc1CN PB12237 [1,0,0,0,1,0|2,0,0]=4 986 B7R1.1 c1cscc1CO PB10036 [1,0,0,0,1,0|1,1,0]=4 987 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [0,0,0,0,0,2|0,1,1]=4