0 B8R1.2 C#Cc1ccccn1 PB17077 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.2 C#Cc1cccnc1 PB29186 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.2 C#Cc1cccnn1 PB34819 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.2 C#Cc1ccncc1 PB29291 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.2 C#Cc1ccncn1 AB69106 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.2 C#Cc1cnccn1 PB18058 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.2 C#Cc1cncnc1 PB12263 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.2 C#Cc1ncccn1 AB61370 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.2 C1CC(OC=C1)C=O PB24581 [0,0,0,0,0,0|1,0,3]=4 9 B8R1.2 CNc1cccnc1 AB09114 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 CNc1ccncn1 AB60623 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.2 CNc1cncnc1 AB60774 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.2 CNc1ncccn1 AB05135 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.2 COc1cccnc1 AB06864 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.2 COc1cccnn1 AB05130 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.2 COc1ccnnc1 AB44150 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.2 c1c(cncn1)C#N PB29060 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.2 c1c(cncn1)C=O PB32342 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.2 c1c(cncn1)CCl PB31962 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.2 c1c(cncn1)CCl PB34530 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.2 c1c(cncn1)CN PB26277 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.2 c1c(cncn1)CO PB18631 [0,0,0,0,0,0|2,0,2]=4 22 B8R1.2 c1c(cncn1)NN PB30357 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.2 c1cc(cnc1)C=O AB00744 [0,0,0,0,0,0|1,0,0]=1 24 B8R1.2 c1cc(cnc1)CCl AB01984 [0,0,0,0,0,0|2,0,1]=3 25 B8R1.2 c1cc(cnc1)CN AB00752 [0,0,0,0,0,0|2,0,1]=3 26 B8R1.2 c1cc(cnc1)NN AB42924 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.2 c1cc(cnc1)NN PB18886 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.2 c1cc(nnc1)C#N PB19049 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.2 c1cc(nnc1)C=O PB20119 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.2 c1cc(nnc1)CCl PB28814 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.2 c1cc(nnc1)CN PB29341 [0,0,0,0,0,0|3,0,1]=4 32 B8R1.2 c1cc(nnc1)CO PB30818 [0,0,0,0,0,0|2,0,2]=4 33 B8R1.2 c1ccnc(c1)C=O AB00680 [0,0,0,0,0,0|1,0,0]=1 34 B8R1.2 c1ccnc(c1)CBr MB02148 [0,0,0,0,0,0|2,0,1]=3 35 B8R1.2 c1ccnc(c1)CCl AB22495 [0,0,0,0,0,0|2,0,1]=3 36 B8R1.2 c1ccnc(c1)CN AB00731 [0,0,0,0,0,0|2,0,1]=3 37 B8R1.2 c1cnc(cn1)C#N AB02102 [0,0,0,0,0,0|3,0,1]=4 38 B8R1.2 c1cnc(cn1)C=O PB19982 [0,0,0,0,0,0|2,0,0]=2 39 B8R1.2 c1cnc(cn1)CCl PB20483 [0,0,0,0,0,0|3,0,1]=4 40 B8R1.2 c1cnc(cn1)CN PB14180 [0,0,0,0,0,0|3,0,1]=4 41 B8R1.2 c1cnc(cn1)CO PB21779 [0,0,0,0,0,0|2,0,2]=4 42 B8R1.2 c1cnc(cn1)NN PB12798 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.2 c1cnc(nc1)C#N PB27459 [0,0,0,0,0,0|3,0,1]=4 44 B8R1.2 c1cnc(nc1)C=O PB34235 [0,0,0,0,0,0|2,0,0]=2 45 B8R1.2 c1cnc(nc1)CCl PB20403 [0,0,0,0,0,0|3,0,1]=4 46 B8R1.2 c1cnc(nc1)CN CB11589 [0,0,0,0,0,0|3,0,1]=4 47 B8R1.2 c1cnc(nc1)CN PB23443 [0,0,0,0,0,0|3,0,1]=4 48 B8R1.2 c1cnc(nc1)CO PB12410 [0,0,0,0,0,0|2,0,2]=4 49 B8R1.2 c1cnc(nc1)NN PB10192 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.2 c1cnccc1C=O AB00754 [0,0,0,0,0,0|1,0,0]=1 51 B8R1.2 c1cnccc1CCl AB15539 [0,0,0,0,0,0|2,0,1]=3 52 B8R1.2 c1cnccc1CN AB00767 [0,0,0,0,0,0|2,0,1]=3 53 B8R1.2 c1cnccc1NN PB27392 [0,0,0,0,0,0|3,0,0]=3 54 B8R1.2 c1cnccc1ON AB31585 [0,0,0,0,0,0|3,0,0]=3 55 B8R1.2 c1cncnc1C=O AB16150 [0,0,0,0,0,0|2,0,0]=2 56 B8R1.2 c1cncnc1CCl AB58895 [0,0,0,0,0,0|3,0,1]=4 57 B8R1.2 c1cncnc1CN PB10439 [0,0,0,0,0,0|3,0,1]=4 58 B8R1.2 c1cncnc1CO PB12296 [0,0,0,0,0,0|2,0,2]=4 59 B8R1.2 c1cnncc1C#N PB16131 [0,0,0,0,0,0|3,0,1]=4 60 B8R1.2 c1cnncc1C=O PB17346 [0,0,0,0,0,0|2,0,0]=2 61 B8R1.2 c1cnncc1CN PB31361 [0,0,0,0,0,0|3,0,1]=4 62 B8R1.2 c1cnncc1CO PB26178 [0,0,0,0,0,0|2,0,2]=4 63 B8R1.2 c1ncnc(n1)C=O AB60788 [0,0,0,0,0,0|3,0,0]=3 64 B7R1.3 Cc1cccnn1 PB33649 [1,0,0,0,0,0|2,0,1]=4 65 B7R1.3 Cc1ccncn1 PB17038 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.3 Cc1ccnnc1 PB24546 [1,0,0,0,0,0|2,0,1]=4 67 B7R1.3 c1c(cncn1)Br PB28945 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.3 c1c(cncn1)Cl AB16528 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.3 c1c(cncn1)N PB12745 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.3 c1c(cncn1)O PB27730 [1,0,0,0,0,0|2,0,1]=4 71 B7R1.3 c1cc(cnc1)Br AB00739 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.3 c1cc(cnc1)I AB01382 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.3 c1cc(cnc1)[O-] MB00567 [1,0,0,0,0,0|1,0,1]=3 74 B7R1.3 c1cc(nnc1)Br MB08580 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.3 c1cc(nnc1)Cl AB30021 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.3 c1cc(nnc1)Cl PB34726 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.3 c1cc(nnc1)N PB17217 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.3 c1cc(nnc1)O PB32258 [1,0,0,0,0,0|2,0,1]=4 79 B7R1.3 c1ccnc(c1)Br AB00627 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.3 c1cnc(cn1)Br MB06072 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.3 c1cnc(cn1)I AB08841 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.3 c1cnc(cn1)N PB30528 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.3 c1cnc(cn1)O AB05056 [1,0,0,0,0,0|2,0,1]=4 84 B7R1.3 c1cnc(nc1)Cl AB00572 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.3 c1cnc(nc1)N MB00175 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.3 c1cnccc1Br AB05093 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.3 c1cnccc1I AB10861 [1,0,0,0,0,0|2,0,0]=3 88 B7R1.3 c1cnccc1O PB17041 [1,0,0,0,0,0|1,0,1]=3 89 B7R1.3 c1cncnc1Br PB10690 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.3 c1cncnc1Cl AB43600 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.3 c1cncnc1Cl PB13479 [1,0,0,0,0,0|3,0,0]=4 92 B7R1.3 c1cncnc1N PB11581 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.3 c1cncnc1O PB32093 [1,0,0,0,0,0|2,0,1]=4 94 B7R1.3 c1cnncc1Br AB48350 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.3 c1cnncc1Cl AB50535 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.3 c1cnncc1I AB70137 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.3 c1cnncc1N PB29051 [1,0,0,0,0,0|3,0,0]=4 98 B7R1.3 c1cnncc1N PB39062 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.1 C#Cc1ccc(cc1)Cl PB21668 [0,1,0,0,0,0|1,0,1]=3 100 B9R1.1 C#Cc1ccc(cn1)Br AB13647 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.1 C#Cc1ccc(cn1)Cl AB68972 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.1 C#Cc1ccc(nc1)Br AB68991 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.1 C#Cc1ccc(nc1)Cl AB61374 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.1 C#Cc1ccc(nc1)F AB66584 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.1 C#Cc1ccc(nc1)N AB66565 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.1 C#Cc1ccc(nc1)O AB69001 [0,1,0,0,0,0|2,0,1]=4 107 B9R1.1 C1C(=O)N=CC(=N1)C=O AB60510 [0,1,0,0,0,0|2,0,1]=4 108 B9R1.1 C=Cc1cnc(nc1)N MB09950 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.1 CCc1ccc(cn1)N AB63590 [0,1,0,0,0,0|2,0,1]=4 110 B9R1.1 CCc1ccc(cn1)O MB03842 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.1 CCc1ccc(nc1)Br MB10294 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.1 CNc1ccc(cn1)Br AB44353 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.1 CNc1ccc(cn1)Cl AB07756 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.1 CNc1ccc(cn1)O AB69733 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.1 CNc1ccc(nc1)Br MB01005 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.1 CNc1ccc(nc1)Cl AB60605 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.1 COc1cc[n+](cc1)[O-] AB00619 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.1 COc1ccc(cn1)Br AB08771 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.1 COc1ccc(cn1)Cl AB23682 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.1 COc1ccc(cn1)F AB13611 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.1 COc1ccc(cn1)N PB27370 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.1 COc1ccc(cn1)O CB10969 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.1 COc1ccc(nc1)Br PB22062 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.1 COc1ccc(nc1)Cl AB25956 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.1 COc1ccc(nc1)F AB66773 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.1 COc1ccc(nc1)I AB11726 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.1 COc1ccc(nc1)N PB14487 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.1 CSc1ccc(cn1)Br AB14151 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.1 CSc1ccc(cn1)O MB25590 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.1 CSc1ccc(nc1)Br MB03440 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.1 Cc1ccc(cn1)C#N PB30561 [0,1,0,0,0,0|2,0,1]=4 132 B9R1.1 Cc1ccc(cn1)C=C PB17233 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.1 Cc1ccc(cn1)C=O PB17503 [0,1,0,0,0,0|1,0,0]=2 134 B9R1.1 Cc1ccc(cn1)CCl AB59938 [0,1,0,0,0,0|2,0,1]=4 135 B9R1.1 Cc1ccc(cn1)CN PB20145 [0,1,0,0,0,0|2,0,1]=4 136 B9R1.1 Cc1ccc(cn1)NN PB15841 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.1 Cc1ccc(cn1)OC AB52739 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.1 Cc1ccc(nc1)C=O AB31466 [0,1,0,0,0,0|1,0,0]=2 139 B9R1.1 Cc1ccc(nc1)CCl AB59994 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.1 Cc1ccc(nc1)CN AB48926 [0,1,0,0,0,0|2,0,1]=4 141 B9R1.1 Cc1ccc(nn1)C=O AB44106 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.1 Cc1cnc(cn1)C=O PB23818 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.1 Cc1cnc(nc1)C=O PB31489 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.1 Cc1ncc(cn1)C=O PB13046 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl MB03556 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.1 c1c(cnc(n1)C=O)Br AB59082 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.1 c1c(cnc(n1)C=O)Cl PB22417 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.1 c1c(cnc(n1)C=O)F PB26883 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.1 c1c(cnc(n1)C=O)N AB58984 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.1 c1c(cnc(n1)C=O)O AB59744 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.1 c1c(cnc(n1)Cl)C=O PB31481 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.1 c1c(cnc(n1)N)C=O PB12291 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.1 c1c(cnc(n1)O)C=O AB58472 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.1 c1c(ncc(n1)Cl)C=O PB20478 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.1 c1c[n+](ccc1ON)[O-] AB31589 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.1 c1cc(ccc1CBr)Br AB00113 [0,1,0,0,0,0|1,0,1]=3 157 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [0,1,0,0,0,0|1,0,1]=3 158 B9R1.1 c1cc(ccc1CI)O MB06957 [0,1,0,0,0,0|1,0,1]=3 159 B9R1.1 c1cc(ccc1CN)O AB11678 [0,1,0,0,0,0|1,0,1]=3 160 B9R1.1 c1cc(ncc1Br)C#N PB21694 [0,1,0,0,0,0|2,0,1]=4 161 B9R1.1 c1cc(ncc1Br)C=O PB30785 [0,1,0,0,0,0|1,0,0]=2 162 B9R1.1 c1cc(ncc1Br)CCl AB60010 [0,1,0,0,0,0|2,0,1]=4 163 B9R1.1 c1cc(ncc1Br)CN AB23456 [0,1,0,0,0,0|2,0,1]=4 164 B9R1.1 c1cc(ncc1Br)CO AB66533 [0,1,0,0,0,0|1,0,2]=4 165 B9R1.1 c1cc(ncc1Br)CO PB18645 [0,1,0,0,0,0|1,0,2]=4 166 B9R1.1 c1cc(ncc1C#N)Br AB05142 [0,1,0,0,0,0|2,0,1]=4 167 B9R1.1 c1cc(ncc1C#N)Cl AB03166 [0,1,0,0,0,0|2,0,1]=4 168 B9R1.1 c1cc(ncc1C#N)F PB16124 [0,1,0,0,0,0|2,0,1]=4 169 B9R1.1 c1cc(ncc1C#N)O PB17354 [0,1,0,0,0,0|2,0,1]=4 170 B9R1.1 c1cc(ncc1C=O)Br PB27654 [0,1,0,0,0,0|1,0,0]=2 171 B9R1.1 c1cc(ncc1C=O)Cl PB18586 [0,1,0,0,0,0|1,0,0]=2 172 B9R1.1 c1cc(ncc1C=O)F PB23560 [0,1,0,0,0,0|1,0,0]=2 173 B9R1.1 c1cc(ncc1C=O)N PB19003 [0,1,0,0,0,0|1,0,0]=2 174 B9R1.1 c1cc(ncc1CBr)F PB28287 [0,1,0,0,0,0|2,0,1]=4 175 B9R1.1 c1cc(ncc1CCl)Br AB59933 [0,1,0,0,0,0|2,0,1]=4 176 B9R1.1 c1cc(ncc1CCl)Cl AB03513 [0,1,0,0,0,0|2,0,1]=4 177 B9R1.1 c1cc(ncc1CCl)Cl AB59950 [0,1,0,0,0,0|2,0,1]=4 178 B9R1.1 c1cc(ncc1CCl)F PB13291 [0,1,0,0,0,0|2,0,1]=4 179 B9R1.1 c1cc(ncc1CCl)N AB59930 [0,1,0,0,0,0|2,0,1]=4 180 B9R1.1 c1cc(ncc1CN)Br AB27793 [0,1,0,0,0,0|2,0,1]=4 181 B9R1.1 c1cc(ncc1CN)Cl PB17175 [0,1,0,0,0,0|2,0,1]=4 182 B9R1.1 c1cc(ncc1CN)F PB19133 [0,1,0,0,0,0|2,0,1]=4 183 B9R1.1 c1cc(ncc1CO)Br PB14409 [0,1,0,0,0,0|1,0,2]=4 184 B9R1.1 c1cc(ncc1CO)Cl PB17199 [0,1,0,0,0,0|1,0,2]=4 185 B9R1.1 c1cc(ncc1CO)F PB14327 [0,1,0,0,0,0|1,0,2]=4 186 B9R1.1 c1cc(ncc1CO)N PB26211 [0,1,0,0,0,0|1,0,2]=4 187 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [0,1,0,0,0,0|1,0,0]=2 188 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [0,1,0,0,0,0|2,0,1]=4 189 B9R1.1 c1cc(ncc1Cl)CN AB60187 [0,1,0,0,0,0|2,0,1]=4 190 B9R1.1 c1cc(ncc1Cl)CO AB56068 [0,1,0,0,0,0|1,0,2]=4 191 B9R1.1 c1cc(ncc1F)C#N AB48767 [0,1,0,0,0,0|2,0,1]=4 192 B9R1.1 c1cc(ncc1F)C=O AB42648 [0,1,0,0,0,0|1,0,0]=2 193 B9R1.1 c1cc(ncc1F)CCl AB62501 [0,1,0,0,0,0|2,0,1]=4 194 B9R1.1 c1cc(ncc1F)CN AB60189 [0,1,0,0,0,0|2,0,1]=4 195 B9R1.1 c1cc(ncc1F)CO PB22210 [0,1,0,0,0,0|1,0,2]=4 196 B9R1.1 c1cc(ncc1I)C#N MB08761 [0,1,0,0,0,0|2,0,1]=4 197 B9R1.1 c1cc(ncc1N)C#N PB14307 [0,1,0,0,0,0|2,0,1]=4 198 B9R1.1 c1cc(ncc1N)C=O AB67740 [0,1,0,0,0,0|1,0,0]=2 199 B9R1.1 c1cc(ncc1N)CN AB23447 [0,1,0,0,0,0|2,0,1]=4 200 B9R1.1 c1cc(ncc1N)CO AB31872 [0,1,0,0,0,0|1,0,2]=4 201 B9R1.1 c1cc(ncc1O)C#N PB12442 [0,1,0,0,0,0|2,0,1]=4 202 B9R1.1 c1cc(ncc1O)C=O AB59867 [0,1,0,0,0,0|1,0,0]=2 203 B9R1.1 c1cc(ncc1O)CN MB14856 [0,1,0,0,0,0|2,0,1]=4 204 B9R1.1 c1cc(nnc1C=O)Cl PB13298 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.2 C#Cc1cc(ccn1)Br AB68985 [0,1,0,0,0,0|2,0,1]=4 206 B9R1.2 C#Cc1cc(ccn1)Cl AB68983 [0,1,0,0,0,0|2,0,1]=4 207 B9R1.2 C#Cc1cc(cnc1)Br AB61376 [0,1,0,0,0,0|2,0,1]=4 208 B9R1.2 C#Cc1cc(cnc1)Cl AB52703 [0,1,0,0,0,0|2,0,1]=4 209 B9R1.2 C#Cc1cc(cnc1)F AB66583 [0,1,0,0,0,0|2,0,1]=4 210 B9R1.2 C#Cc1cc(cnc1)N AB71894 [0,1,0,0,0,0|2,0,1]=4 211 B9R1.2 C#Cc1cccc(n1)Br AB68980 [0,1,0,0,0,0|2,0,1]=4 212 B9R1.2 C#Cc1cccc(n1)Cl AB68981 [0,1,0,0,0,0|2,0,1]=4 213 B9R1.2 C#Cc1ccnc(c1)Br AB69031 [0,1,0,0,0,0|2,0,1]=4 214 B9R1.2 C#Cc1ccnc(c1)Cl AB69028 [0,1,0,0,0,0|2,0,1]=4 215 B9R1.2 C#Cc1ccnc(c1)N AB69041 [0,1,0,0,0,0|2,0,1]=4 216 B9R1.2 C#Cc1ccnc(c1)O AB69040 [0,1,0,0,0,0|2,0,1]=4 217 B9R1.2 C=Cc1cccc(n1)Br AB74634 [0,1,0,0,0,0|2,0,0]=3 218 B9R1.2 CCc1cc(ccn1)Br AB63995 [0,1,0,0,0,0|2,0,1]=4 219 B9R1.2 CCc1cc(ccn1)O MB11624 [0,1,0,0,0,0|2,0,1]=4 220 B9R1.2 CCc1cc(cnc1)Br PB34416 [0,1,0,0,0,0|2,0,1]=4 221 B9R1.2 CCc1cc(cnc1)O MB12329 [0,1,0,0,0,0|2,0,1]=4 222 B9R1.2 CCc1cccc(n1)Br MB10338 [0,1,0,0,0,0|2,0,1]=4 223 B9R1.2 CNc1cc(ccn1)Br MB07801 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.2 CNc1cc(ccn1)O MB29569 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.2 CNc1cc(cnc1)Br MB13417 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.2 CNc1cc(cnc1)O MB32689 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.2 CNc1cccc(c1)O MB25493 [0,1,0,0,0,0|2,0,0]=3 228 B9R1.2 CNc1cccc(n1)Br AB50070 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.2 CNc1cccc(n1)Cl AB05190 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.2 CNc1ccnc(c1)Cl AB60612 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.2 COc1cc(ccn1)Br AB44876 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.2 COc1cc(ccn1)Cl AB27571 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.2 COc1cc(ccn1)F AB53299 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.2 COc1cc(ccn1)I MB06098 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.2 COc1cc(ccn1)N PB20942 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.2 COc1cc(ccn1)O MB11972 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.2 COc1cc(cnc1)Br PB24634 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.2 COc1cc(cnc1)Cl AB55073 [0,1,0,0,0,0|3,0,0]=4 239 B9R1.2 COc1cc(cnc1)F AB66777 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.2 COc1cc(cnc1)I AB43793 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.2 COc1cc(cnc1)N PB12653 [0,1,0,0,0,0|3,0,0]=4 242 B9R1.2 COc1cc(cnc1)N PB25488 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.2 COc1cc(cnc1)O AB29711 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.2 COc1cccc(n1)Cl AB00671 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.2 COc1cccc(n1)F AB55818 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.2 COc1cccc(n1)I AB31101 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.2 COc1cccc(n1)N AB21183 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.2 COc1cccc(n1)O AB31854 [0,1,0,0,0,0|3,0,0]=4 249 B9R1.2 COc1ccnc(c1)Br AB23696 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.2 COc1ccnc(c1)Cl AB10868 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.2 COc1ccnc(c1)F AB66367 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.2 COc1ccnc(c1)N AB41933 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.2 CSc1cc(ccn1)Br MB09718 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.2 CSc1cc(ccn1)O MB36936 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.2 CSc1cc(cnc1)Br MB06469 [0,1,0,0,0,0|3,0,0]=4 256 B9R1.2 CSc1cc(cnc1)O MB28894 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.2 CSc1cccc(n1)Br MB07302 [0,1,0,0,0,0|3,0,0]=4 258 B9R1.2 Cc1cc(ccn1)C#C AB66571 [0,1,0,0,0,0|2,0,1]=4 259 B9R1.2 Cc1cc(ccn1)C=O AB24827 [0,1,0,0,0,0|1,0,0]=2 260 B9R1.2 Cc1cc(ccn1)CCl AB59910 [0,1,0,0,0,0|2,0,1]=4 261 B9R1.2 Cc1cc(ccn1)CN AB25370 [0,1,0,0,0,0|2,0,1]=4 262 B9R1.2 Cc1cc(cnc1)C=O PB18860 [0,1,0,0,0,0|1,0,0]=2 263 B9R1.2 Cc1cc(cnc1)CCl AB55820 [0,1,0,0,0,0|2,0,1]=4 264 B9R1.2 Cc1cc(cnc1)CN AB23459 [0,1,0,0,0,0|2,0,1]=4 265 B9R1.2 Cc1cc(cnc1)CO PB10532 [0,1,0,0,0,0|1,0,2]=4 266 B9R1.2 Cc1cc(cnc1)OC AB64998 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.2 Cc1cccc(n1)C#N AB04512 [0,1,0,0,0,0|2,0,1]=4 268 B9R1.2 Cc1cccc(n1)C=O AB00683 [0,1,0,0,0,0|1,0,0]=2 269 B9R1.2 Cc1cccc(n1)CCl AB49651 [0,1,0,0,0,0|2,0,1]=4 270 B9R1.2 Cc1cccc(n1)CN AB22796 [0,1,0,0,0,0|2,0,1]=4 271 B9R1.2 Cc1cccc(n1)NC AB60602 [0,1,0,0,0,0|3,0,0]=4 272 B9R1.2 Cc1ccnc(c1)C#C AB66576 [0,1,0,0,0,0|2,0,1]=4 273 B9R1.2 Cc1ccnc(c1)C#N AB03610 [0,1,0,0,0,0|2,0,1]=4 274 B9R1.2 Cc1ccnc(c1)CCl AB42303 [0,1,0,0,0,0|2,0,1]=4 275 B9R1.2 Cc1ccnc(c1)CN AB23452 [0,1,0,0,0,0|2,0,1]=4 276 B9R1.2 Cc1ccnc(n1)C=O PB28177 [0,1,0,0,0,0|2,0,0]=3 277 B9R1.2 Cc1cncc(n1)C=O AB62637 [0,1,0,0,0,0|2,0,0]=3 278 B9R1.2 Cc1nccc(n1)C=O AB52721 [0,1,0,0,0,0|2,0,0]=3 279 B9R1.2 c1c(cncc1Br)C#N PB14142 [0,1,0,0,0,0|2,0,1]=4 280 B9R1.2 c1c(cncc1Br)C=O PB10234 [0,1,0,0,0,0|1,0,0]=2 281 B9R1.2 c1c(cncc1Br)CCl AB60029 [0,1,0,0,0,0|2,0,1]=4 282 B9R1.2 c1c(cncc1Br)CCl PB25120 [0,1,0,0,0,0|2,0,1]=4 283 B9R1.2 c1c(cncc1Br)CN PB23445 [0,1,0,0,0,0|2,0,1]=4 284 B9R1.2 c1c(cncc1Br)CO PB29242 [0,1,0,0,0,0|1,0,2]=4 285 B9R1.2 c1c(cncc1Cl)C#N AB14095 [0,1,0,0,0,0|2,0,1]=4 286 B9R1.2 c1c(cncc1Cl)C=O PB29540 [0,1,0,0,0,0|1,0,0]=2 287 B9R1.2 c1c(cncc1Cl)CCl AB60038 [0,1,0,0,0,0|2,0,1]=4 288 B9R1.2 c1c(cncc1Cl)CCl PB33259 [0,1,0,0,0,0|2,0,1]=4 289 B9R1.2 c1c(cncc1Cl)CN AB63152 [0,1,0,0,0,0|2,0,1]=4 290 B9R1.2 c1c(cncc1F)C#N AB49149 [0,1,0,0,0,0|2,0,1]=4 291 B9R1.2 c1c(cncc1F)C=O PB12469 [0,1,0,0,0,0|1,0,0]=2 292 B9R1.2 c1c(cncc1F)CCl PB35002 [0,1,0,0,0,0|2,0,1]=4 293 B9R1.2 c1c(cncc1F)CN PB29533 [0,1,0,0,0,0|2,0,1]=4 294 B9R1.2 c1c(cncc1F)CO PB12255 [0,1,0,0,0,0|1,0,2]=4 295 B9R1.2 c1c(cncc1I)C=O AB45533 [0,1,0,0,0,0|1,0,0]=2 296 B9R1.2 c1c(cncc1I)CCl AB45545 [0,1,0,0,0,0|2,0,1]=4 297 B9R1.2 c1c(cncc1I)CO AB45541 [0,1,0,0,0,0|1,0,2]=4 298 B9R1.2 c1c(cncc1N)C#N AB31378 [0,1,0,0,0,0|2,0,1]=4 299 B9R1.2 c1c(cncc1N)C=O AB67741 [0,1,0,0,0,0|1,0,0]=2 300 B9R1.2 c1c(cncc1N)CN AB31384 [0,1,0,0,0,0|2,0,1]=4 301 B9R1.2 c1c(cncc1N)CO AB31625 [0,1,0,0,0,0|1,0,2]=4 302 B9R1.2 c1c(cncc1O)C#N MB09110 [0,1,0,0,0,0|2,0,1]=4 303 B9R1.2 c1c(cncc1O)C=O AB67779 [0,1,0,0,0,0|1,0,0]=2 304 B9R1.2 c1c(cncc1O)CN MB28837 [0,1,0,0,0,0|2,0,1]=4 305 B9R1.2 c1c(nc(cn1)Cl)C=O PB16295 [0,1,0,0,0,0|2,0,0]=3 306 B9R1.2 c1c(ncnc1Cl)C=O AB58865 [0,1,0,0,0,0|2,0,0]=3 307 B9R1.2 c1c(ncnc1O)C=O AB58874 [0,1,0,0,0,0|2,0,0]=3 308 B9R1.2 c1cc(c[n+](c1)[O-])CCl AB59951 [0,1,0,0,0,0|2,0,1]=4 309 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [0,1,0,0,0,0|1,0,1]=3 310 B9R1.2 c1cc(cc(c1)Br)NN AB11945 [0,1,0,0,0,0|2,0,0]=3 311 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [0,1,0,0,0,0|1,0,1]=3 312 B9R1.2 c1cc(nc(c1)Br)C#N PB24633 [0,1,0,0,0,0|2,0,1]=4 313 B9R1.2 c1cc(nc(c1)Br)C=O PB27582 [0,1,0,0,0,0|1,0,0]=2 314 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [0,1,0,0,0,0|2,0,1]=4 315 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [0,1,0,0,0,0|2,0,1]=4 316 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [0,1,0,0,0,0|2,0,1]=4 317 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [0,1,0,0,0,0|1,0,2]=4 318 B9R1.2 c1cc(nc(c1)Br)NN AB51209 [0,1,0,0,0,0|3,0,0]=4 319 B9R1.2 c1cc(nc(c1)Cl)C#N AB05877 [0,1,0,0,0,0|2,0,1]=4 320 B9R1.2 c1cc(nc(c1)Cl)C=O AB52723 [0,1,0,0,0,0|1,0,0]=2 321 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [0,1,0,0,0,0|2,0,1]=4 322 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [0,1,0,0,0,0|2,0,1]=4 323 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [0,1,0,0,0,0|1,0,2]=4 324 B9R1.2 c1cc(nc(c1)F)C#N AB50189 [0,1,0,0,0,0|2,0,1]=4 325 B9R1.2 c1cc(nc(c1)F)C=O AB13533 [0,1,0,0,0,0|1,0,0]=2 326 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [0,1,0,0,0,0|2,0,1]=4 327 B9R1.2 c1cc(nc(c1)F)CN AB66365 [0,1,0,0,0,0|2,0,1]=4 328 B9R1.2 c1cc(nc(c1)I)CO AB42511 [0,1,0,0,0,0|1,0,2]=4 329 B9R1.2 c1cc(nc(c1)N)C#N AB62904 [0,1,0,0,0,0|2,0,1]=4 330 B9R1.2 c1cc(nc(c1)N)CO AB53761 [0,1,0,0,0,0|1,0,2]=4 331 B9R1.2 c1cc(nc(c1)O)C#N AB62925 [0,1,0,0,0,0|2,0,1]=4 332 B9R1.2 c1cnc(cc1Br)C#N PB29307 [0,1,0,0,0,0|2,0,1]=4 333 B9R1.2 c1cnc(cc1Br)C=O PB10584 [0,1,0,0,0,0|1,0,0]=2 334 B9R1.2 c1cnc(cc1Br)CCl AB67964 [0,1,0,0,0,0|2,0,1]=4 335 B9R1.2 c1cnc(cc1Br)CN PB17414 [0,1,0,0,0,0|2,0,1]=4 336 B9R1.2 c1cnc(cc1Br)CO PB31388 [0,1,0,0,0,0|1,0,2]=4 337 B9R1.2 c1cnc(cc1C#N)Br AB31306 [0,1,0,0,0,0|2,0,1]=4 338 B9R1.2 c1cnc(cc1C#N)Cl AB04394 [0,1,0,0,0,0|2,0,1]=4 339 B9R1.2 c1cnc(cc1C#N)F AB49151 [0,1,0,0,0,0|2,0,1]=4 340 B9R1.2 c1cnc(cc1C#N)N PB17329 [0,1,0,0,0,0|2,0,1]=4 341 B9R1.2 c1cnc(cc1C#N)O PB20081 [0,1,0,0,0,0|2,0,1]=4 342 B9R1.2 c1cnc(cc1C=O)Br AB17326 [0,1,0,0,0,0|1,0,0]=2 343 B9R1.2 c1cnc(cc1C=O)Cl PB21899 [0,1,0,0,0,0|1,0,0]=2 344 B9R1.2 c1cnc(cc1C=O)F AB24818 [0,1,0,0,0,0|1,0,0]=2 345 B9R1.2 c1cnc(cc1CCl)Br AB65254 [0,1,0,0,0,0|2,0,1]=4 346 B9R1.2 c1cnc(cc1CCl)Cl AB55687 [0,1,0,0,0,0|2,0,1]=4 347 B9R1.2 c1cnc(cc1CCl)Cl AB59906 [0,1,0,0,0,0|2,0,1]=4 348 B9R1.2 c1cnc(cc1CCl)F AB59901 [0,1,0,0,0,0|2,0,1]=4 349 B9R1.2 c1cnc(cc1CN)Br AB31307 [0,1,0,0,0,0|2,0,1]=4 350 B9R1.2 c1cnc(cc1CN)Cl PB15828 [0,1,0,0,0,0|2,0,1]=4 351 B9R1.2 c1cnc(cc1CN)F AB63132 [0,1,0,0,0,0|2,0,1]=4 352 B9R1.2 c1cnc(cc1CN)F AB63135 [0,1,0,0,0,0|2,0,1]=4 353 B9R1.2 c1cnc(cc1CN)N AB23468 [0,1,0,0,0,0|2,0,1]=4 354 B9R1.2 c1cnc(cc1CO)Br AB17330 [0,1,0,0,0,0|1,0,2]=4 355 B9R1.2 c1cnc(cc1CO)Cl PB21002 [0,1,0,0,0,0|1,0,2]=4 356 B9R1.2 c1cnc(cc1CO)N PB33706 [0,1,0,0,0,0|1,0,2]=4 357 B9R1.2 c1cnc(cc1Cl)C#N PB32398 [0,1,0,0,0,0|2,0,1]=4 358 B9R1.2 c1cnc(cc1Cl)C=O PB32513 [0,1,0,0,0,0|1,0,0]=2 359 B9R1.2 c1cnc(cc1Cl)CCl AB42295 [0,1,0,0,0,0|2,0,1]=4 360 B9R1.2 c1cnc(cc1Cl)CCl MB05829 [0,1,0,0,0,0|2,0,1]=4 361 B9R1.2 c1cnc(cc1Cl)CN PB27784 [0,1,0,0,0,0|2,0,1]=4 362 B9R1.2 c1cnc(cc1Cl)CO PB23493 [0,1,0,0,0,0|1,0,2]=4 363 B9R1.2 c1cnc(cc1F)C#N AB52749 [0,1,0,0,0,0|2,0,1]=4 364 B9R1.2 c1cnc(cc1F)C=O AB68024 [0,1,0,0,0,0|1,0,0]=2 365 B9R1.2 c1cnc(cc1F)CCl AB68051 [0,1,0,0,0,0|2,0,1]=4 366 B9R1.2 c1cnc(cc1F)CN AB65162 [0,1,0,0,0,0|2,0,1]=4 367 B9R1.2 c1cnc(cc1N)C#N PB10426 [0,1,0,0,0,0|2,0,1]=4 368 B9R1.2 c1cnc(cc1N)C=O AB68102 [0,1,0,0,0,0|1,0,0]=2 369 B9R1.2 c1cnc(cc1O)C#N MB05241 [0,1,0,0,0,0|2,0,1]=4 370 B9R1.2 c1cnc(cc1O)C=O AB68125 [0,1,0,0,0,0|1,0,0]=2 371 B9R1.2 c1cnc(cc1O)CN MB14853 [0,1,0,0,0,0|2,0,1]=4 372 B9R1.2 c1cnc(nc1C=O)Cl PB16282 [0,1,0,0,0,0|2,0,0]=3 373 B9R1.2 c1cnc(nc1Cl)C=O AB52774 [0,1,0,0,0,0|2,0,0]=3 374 B9R1.6 B(c1cccnc1)(O)O AB17635 [0,1,0,0,0,0|2,0,1]=4 375 B9R1.6 B(c1cccnc1)(O)O PB14187 [0,1,0,0,0,0|2,0,1]=4 376 B9R1.6 B(c1ccncc1)(O)O AB23111 [0,1,0,0,0,0|2,0,1]=4 377 B9R1.6 B(c1ccncc1)(O)O PB29133 [0,1,0,0,0,0|2,0,1]=4 378 B9R1.6 C=C(c1ccccn1)Br AB31950 [0,1,0,0,0,0|2,0,0]=3 379 B9R1.6 CC(=O)c1ccccn1 AB00686 [0,1,0,0,0,0|1,0,0]=2 380 B9R1.6 CC(=O)c1cccnc1 AB00750 [0,1,0,0,0,0|1,0,0]=2 381 B9R1.6 CC(=O)c1cccnn1 PB16551 [0,1,0,0,0,0|2,0,0]=3 382 B9R1.6 CC(=O)c1ccncc1 AB00760 [0,1,0,0,0,0|1,0,0]=2 383 B9R1.6 CC(=O)c1ccncn1 PB17606 [0,1,0,0,0,0|2,0,0]=3 384 B9R1.6 CC(=O)c1ccnnc1 PB26895 [0,1,0,0,0,0|2,0,0]=3 385 B9R1.6 CC(=O)c1cnccn1 AB00602 [0,1,0,0,0,0|2,0,0]=3 386 B9R1.6 CC(=O)c1cncnc1 PB20327 [0,1,0,0,0,0|2,0,0]=3 387 B9R1.6 CC(=O)c1ncccn1 PB34295 [0,1,0,0,0,0|2,0,0]=3 388 B9R1.6 CC(C)c1ccccn1 PB21659 [0,1,0,0,0,0|2,0,1]=4 389 B9R1.6 CC(c1ccccc1)Cl AB01249 [0,1,0,0,0,0|1,0,1]=3 390 B9R1.6 CC(c1ccccn1)N AB21604 [0,1,0,0,0,0|2,0,1]=4 391 B9R1.6 CC(c1cccnc1)N AB09764 [0,1,0,0,0,0|2,0,1]=4 392 B9R1.6 CC(c1ccncc1)N AB11609 [0,1,0,0,0,0|2,0,1]=4 393 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [0,1,0,0,0,0|2,0,1]=4 394 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [0,1,0,0,0,0|2,0,1]=4 395 B9R1.6 C[C@H](c1cccnc1)N AB49734 [0,1,0,0,0,0|2,0,1]=4 396 B9R1.6 C[C@H](c1ccncc1)N AB49745 [0,1,0,0,0,0|2,0,1]=4 397 B9R1.6 c1c(cncn1)C(=N)N AB27559 [0,1,0,0,0,0|3,0,0]=4 398 B9R1.6 c1c(cncn1)C(=O)O PB23195 [0,1,0,0,0,0|2,0,0]=3 399 B9R1.6 c1c(cncn1)C(=S)N AB21762 [0,1,0,0,0,0|2,1,0]=4 400 B9R1.6 c1c(ncnn1)C(=O)O AB72448 [0,1,0,0,0,0|3,0,0]=4 401 B9R1.6 c1cc(cnc1)C(F)F AB64034 [0,1,0,0,0,0|2,0,1]=4 402 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [0,1,0,0,0,0|2,0,0]=3 403 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [0,1,0,0,0,0|1,0,0]=2 404 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [0,1,0,0,0,0|2,0,0]=3 405 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [0,1,0,0,0,0|1,0,0]=2 406 B9R1.6 c1ccnc(c1)C(=S)N AB03215 [0,1,0,0,0,0|1,1,0]=3 407 B9R1.6 c1ccnc(c1)C(F)F AB64042 [0,1,0,0,0,0|2,0,1]=4 408 B9R1.6 c1cnc(cn1)C(=N)N AB02172 [0,1,0,0,0,0|3,0,0]=4 409 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [0,1,0,0,0,0|2,0,0]=3 410 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [0,1,0,0,0,0|2,0,0]=3 411 B9R1.6 c1cnccc1C(=N)N MB02852 [0,1,0,0,0,0|2,0,0]=3 412 B9R1.6 c1cnccc1C(=O)O AB00757 [0,1,0,0,0,0|1,0,0]=2 413 B9R1.6 c1cnccc1C(=S)N AB00764 [0,1,0,0,0,0|1,1,0]=3 414 B9R1.6 c1cncnc1C(=O)O PB29023 [0,1,0,0,0,0|2,0,0]=3 415 B9R1.6 c1cnnc(n1)C(=O)O AB48886 [0,1,0,0,0,0|3,0,0]=4 416 B9R1.6 c1cnncc1C(=O)O PB17054 [0,1,0,0,0,0|2,0,0]=3 417 B9R1.6 c1ncnc(n1)C(=O)O AB60791 [0,1,0,0,0,0|3,0,0]=4 418 B9R1.8 C#CCc1ccccn1 AB73234 [0,1,0,0,0,0|2,0,1]=4 419 B9R1.8 C#CCc1cccnc1 AB61408 [0,1,0,0,0,0|2,0,1]=4 420 B9R1.8 CNCc1ccccn1 AB10674 [0,1,0,0,0,0|2,0,1]=4 421 B9R1.8 CNCc1cccnc1 AB01384 [0,1,0,0,0,0|2,0,1]=4 422 B9R1.8 CNCc1ccncc1 AB02721 [0,1,0,0,0,0|2,0,1]=4 423 B9R1.8 c1c(cncn1)CC=O AB57639 [0,1,0,0,0,0|2,0,0]=3 424 B9R1.8 c1cc(cnc1)CCN AB04606 [0,1,0,0,0,0|2,0,1]=4 425 B9R1.8 c1cc(cnc1)CNN PB16271 [0,1,0,0,0,0|2,0,1]=4 426 B9R1.8 c1cc(cnc1)N=C=O AB08187 [0,1,0,0,0,0|1,0,1]=3 427 B9R1.8 c1ccc(cc1)NC#N MB01061 [0,1,0,0,0,0|1,0,1]=3 428 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [0,1,0,0,0,0|1,0,0]=2 429 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [0,1,0,0,0,0|0,0,1]=2 430 B9R1.8 c1ccnc(c1)CC#N AB00727 [0,1,0,0,0,0|2,0,1]=4 431 B9R1.8 c1ccnc(c1)CC=O AB61426 [0,1,0,0,0,0|1,0,0]=2 432 B9R1.8 c1ccnc(c1)CCN AB00732 [0,1,0,0,0,0|2,0,1]=4 433 B9R1.8 c1ccnc(c1)CNN PB19014 [0,1,0,0,0,0|2,0,1]=4 434 B9R1.8 c1cnc(cn1)CC=O AB57650 [0,1,0,0,0,0|2,0,0]=3 435 B9R1.8 c1cnc(cn1)\C=N\O AB84941 [0,1,0,0,0,0|2,0,1]=4 436 B9R1.8 c1cnc(nc1)CC=O AB57641 [0,1,0,0,0,0|2,0,0]=3 437 B9R1.8 c1cnccc1CCN AB01702 [0,1,0,0,0,0|2,0,1]=4 438 B9R1.8 c1cnccc1CNN PB10342 [0,1,0,0,0,0|2,0,1]=4 439 B9R1.8 c1cnccc1N=C=O AB44989 [0,1,0,0,0,0|1,0,1]=3 440 B9R1.8 c1cncnc1CC=O AB57648 [0,1,0,0,0,0|2,0,0]=3 441 B9R1.15 C#Cc1ccccc1Br AB10375 [0,1,0,0,0,0|1,0,1]=3 442 B9R1.15 C#Cc1cccnc1Br AB69072 [0,1,0,0,0,0|2,0,1]=4 443 B9R1.15 C#Cc1cccnc1Cl AB69069 [0,1,0,0,0,0|2,0,1]=4 444 B9R1.15 C#Cc1cccnc1N AB66567 [0,1,0,0,0,0|2,0,1]=4 445 B9R1.15 C#Cc1cccnc1O AB69073 [0,1,0,0,0,0|2,0,1]=4 446 B9R1.15 C#Cc1ccncc1Cl AB69087 [0,1,0,0,0,0|2,0,1]=4 447 B9R1.15 C#Cc1ccncc1F AB69094 [0,1,0,0,0,0|2,0,1]=4 448 B9R1.15 C#Cc1ccncc1N AB69092 [0,1,0,0,0,0|2,0,1]=4 449 B9R1.15 C#Cc1cnccc1Br AB69055 [0,1,0,0,0,0|2,0,1]=4 450 B9R1.15 C#Cc1cnccc1Cl AB69058 [0,1,0,0,0,0|2,0,1]=4 451 B9R1.15 CCc1c(cccn1)Br AB68544 [0,1,0,0,0,0|2,0,1]=4 452 B9R1.15 CCc1c(cccn1)O MB01433 [0,1,0,0,0,0|2,0,1]=4 453 B9R1.15 CCc1ccncc1O MB12325 [0,1,0,0,0,0|2,0,1]=4 454 B9R1.15 CCc1cnccc1Br PB37149 [0,1,0,0,0,0|2,0,1]=4 455 B9R1.15 CCc1cnccc1O MB24095 [0,1,0,0,0,0|2,0,1]=4 456 B9R1.15 CNc1cccnc1Br AB39252 [0,1,0,0,0,0|3,0,0]=4 457 B9R1.15 CNc1ccncc1O MB27525 [0,1,0,0,0,0|3,0,0]=4 458 B9R1.15 CNc1cnccc1O MB29366 [0,1,0,0,0,0|3,0,0]=4 459 B9R1.15 COc1c(cccn1)Br PB20024 [0,1,0,0,0,0|3,0,0]=4 460 B9R1.15 COc1c(cccn1)Cl AB13603 [0,1,0,0,0,0|3,0,0]=4 461 B9R1.15 COc1c(cccn1)F AB13397 [0,1,0,0,0,0|3,0,0]=4 462 B9R1.15 COc1c(cccn1)I AB13400 [0,1,0,0,0,0|3,0,0]=4 463 B9R1.15 COc1c(cccn1)N AB07386 [0,1,0,0,0,0|3,0,0]=4 464 B9R1.15 COc1c(cccn1)O AB06074 [0,1,0,0,0,0|3,0,0]=4 465 B9R1.15 COc1cccnc1Br PB29151 [0,1,0,0,0,0|3,0,0]=4 466 B9R1.15 COc1cccnc1Cl AB14749 [0,1,0,0,0,0|3,0,0]=4 467 B9R1.15 COc1cccnc1I AB05182 [0,1,0,0,0,0|3,0,0]=4 468 B9R1.15 COc1cccnc1N AB40614 [0,1,0,0,0,0|3,0,0]=4 469 B9R1.15 COc1cccnc1O AB43293 [0,1,0,0,0,0|3,0,0]=4 470 B9R1.15 COc1ccncc1Br AB22230 [0,1,0,0,0,0|3,0,0]=4 471 B9R1.15 COc1ccncc1Cl AB51203 [0,1,0,0,0,0|3,0,0]=4 472 B9R1.15 COc1ccncc1F AB66775 [0,1,0,0,0,0|3,0,0]=4 473 B9R1.15 COc1ccncc1I AB09106 [0,1,0,0,0,0|3,0,0]=4 474 B9R1.15 COc1ccncc1N AB40817 [0,1,0,0,0,0|3,0,0]=4 475 B9R1.15 COc1ccncc1O MB09117 [0,1,0,0,0,0|3,0,0]=4 476 B9R1.15 COc1cnccc1Br AB43705 [0,1,0,0,0,0|3,0,0]=4 477 B9R1.15 COc1cnccc1Br MB09674 [0,1,0,0,0,0|3,0,0]=4 478 B9R1.15 COc1cnccc1Cl AB66368 [0,1,0,0,0,0|3,0,0]=4 479 B9R1.15 COc1cnccc1F AB66590 [0,1,0,0,0,0|3,0,0]=4 480 B9R1.15 COc1cnccc1N AB55709 [0,1,0,0,0,0|3,0,0]=4 481 B9R1.15 COc1cnccc1O MB25455 [0,1,0,0,0,0|3,0,0]=4 482 B9R1.15 CSc1c(cccn1)O MB01598 [0,1,0,0,0,0|3,0,0]=4 483 B9R1.15 CSc1cccnc1Br MB13966 [0,1,0,0,0,0|3,0,0]=4 484 B9R1.15 CSc1ccncc1O MB25632 [0,1,0,0,0,0|3,0,0]=4 485 B9R1.15 CSc1cnccc1O MB31499 [0,1,0,0,0,0|3,0,0]=4 486 B9R1.15 Cc1c(cccn1)C#C AB66573 [0,1,0,0,0,0|2,0,1]=4 487 B9R1.15 Cc1c(cccn1)C#N PB23449 [0,1,0,0,0,0|2,0,1]=4 488 B9R1.15 Cc1c(cccn1)C=O PB27878 [0,1,0,0,0,0|1,0,0]=2 489 B9R1.15 Cc1c(cccn1)CBr PB19196 [0,1,0,0,0,0|2,0,1]=4 490 B9R1.15 Cc1c(cccn1)CCl AB51469 [0,1,0,0,0,0|2,0,1]=4 491 B9R1.15 Cc1c(cccn1)CCl PB28159 [0,1,0,0,0,0|2,0,1]=4 492 B9R1.15 Cc1c(cccn1)CN AB14093 [0,1,0,0,0,0|2,0,1]=4 493 B9R1.15 Cc1c(cccn1)CO AB01512 [0,1,0,0,0,0|1,0,2]=4 494 B9R1.15 Cc1c(cccn1)OC AB03569 [0,1,0,0,0,0|3,0,0]=4 495 B9R1.15 Cc1c(nccn1)C=O PB13166 [0,1,0,0,0,0|2,0,0]=3 496 B9R1.15 Cc1cccnc1C=O PB14292 [0,1,0,0,0,0|1,0,0]=2 497 B9R1.15 Cc1cccnc1CCl PB32645 [0,1,0,0,0,0|2,0,1]=4 498 B9R1.15 Cc1cccnc1CN AB20671 [0,1,0,0,0,0|2,0,1]=4 499 B9R1.15 Cc1cccnc1CO AB12590 [0,1,0,0,0,0|1,0,2]=4 500 B9R1.15 Cc1cccnc1OC AB31414 [0,1,0,0,0,0|3,0,0]=4 501 B9R1.15 Cc1ccncc1C#C AB66569 [0,1,0,0,0,0|2,0,1]=4 502 B9R1.15 Cc1ccncc1C#N PB24636 [0,1,0,0,0,0|2,0,1]=4 503 B9R1.15 Cc1ccncc1C=O PB23498 [0,1,0,0,0,0|1,0,0]=2 504 B9R1.15 Cc1ccncc1CCl PB22427 [0,1,0,0,0,0|2,0,1]=4 505 B9R1.15 Cc1ccncc1CN PB14440 [0,1,0,0,0,0|2,0,1]=4 506 B9R1.15 Cc1ccncc1CO PB21746 [0,1,0,0,0,0|1,0,2]=4 507 B9R1.15 Cc1cnccc1C#C AB66570 [0,1,0,0,0,0|2,0,1]=4 508 B9R1.15 Cc1cnccc1C#N PB23623 [0,1,0,0,0,0|2,0,1]=4 509 B9R1.15 Cc1cnccc1C=O AB11481 [0,1,0,0,0,0|1,0,0]=2 510 B9R1.15 Cc1cnccc1CCl PB24122 [0,1,0,0,0,0|2,0,1]=4 511 B9R1.15 Cc1cnccc1CN AB17090 [0,1,0,0,0,0|2,0,1]=4 512 B9R1.15 Cc1cnccc1CO PB32359 [0,1,0,0,0,0|1,0,2]=4 513 B9R1.15 c1c(c(ncn1)Cl)C=O AB65173 [0,1,0,0,0,0|2,0,0]=3 514 B9R1.15 c1c(c(ncn1)N)C=O AB55705 [0,1,0,0,0,0|2,0,0]=3 515 B9R1.15 c1cc(c(nc1)Br)C#N AB05139 [0,1,0,0,0,0|2,0,1]=4 516 B9R1.15 c1cc(c(nc1)Br)C=O AB20862 [0,1,0,0,0,0|1,0,0]=2 517 B9R1.15 c1cc(c(nc1)Br)CBr MB06085 [0,1,0,0,0,0|2,0,1]=4 518 B9R1.15 c1cc(c(nc1)Br)CCl AB60077 [0,1,0,0,0,0|2,0,1]=4 519 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [0,1,0,0,0,0|2,0,1]=4 520 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [0,1,0,0,0,0|1,0,2]=4 521 B9R1.15 c1cc(c(nc1)C#N)Br PB24769 [0,1,0,0,0,0|2,0,1]=4 522 B9R1.15 c1cc(c(nc1)C#N)Cl PB17324 [0,1,0,0,0,0|2,0,1]=4 523 B9R1.15 c1cc(c(nc1)C#N)F PB17393 [0,1,0,0,0,0|2,0,1]=4 524 B9R1.15 c1cc(c(nc1)C#N)N PB18562 [0,1,0,0,0,0|2,0,1]=4 525 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [0,1,0,0,0,0|1,0,0]=2 526 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [0,1,0,0,0,0|1,0,0]=2 527 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [0,1,0,0,0,0|1,0,0]=2 528 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [0,1,0,0,0,0|1,0,0]=2 529 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [0,1,0,0,0,0|2,0,1]=4 530 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [0,1,0,0,0,0|2,0,1]=4 531 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [0,1,0,0,0,0|2,0,1]=4 532 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [0,1,0,0,0,0|2,0,1]=4 533 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [0,1,0,0,0,0|2,0,1]=4 534 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [0,1,0,0,0,0|2,0,1]=4 535 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [0,1,0,0,0,0|2,0,1]=4 536 B9R1.15 c1cc(c(nc1)CN)F AB55320 [0,1,0,0,0,0|2,0,1]=4 537 B9R1.15 c1cc(c(nc1)CN)F PB13118 [0,1,0,0,0,0|2,0,1]=4 538 B9R1.15 c1cc(c(nc1)CN)N AB48448 [0,1,0,0,0,0|2,0,1]=4 539 B9R1.15 c1cc(c(nc1)CN)O MB01728 [0,1,0,0,0,0|2,0,1]=4 540 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [0,1,0,0,0,0|1,0,2]=4 541 B9R1.15 c1cc(c(nc1)CO)F PB22208 [0,1,0,0,0,0|1,0,2]=4 542 B9R1.15 c1cc(c(nc1)CO)N AB31896 [0,1,0,0,0,0|1,0,2]=4 543 B9R1.15 c1cc(c(nc1)CO)O MB00702 [0,1,0,0,0,0|1,0,2]=4 544 B9R1.15 c1cc(c(nc1)Cl)C#N AB01170 [0,1,0,0,0,0|2,0,1]=4 545 B9R1.15 c1cc(c(nc1)Cl)C=O PB27532 [0,1,0,0,0,0|1,0,0]=2 546 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [0,1,0,0,0,0|2,0,1]=4 547 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [0,1,0,0,0,0|1,0,2]=4 548 B9R1.15 c1cc(c(nc1)F)C=O AB13640 [0,1,0,0,0,0|1,0,0]=2 549 B9R1.15 c1cc(c(nc1)F)CCl AB60073 [0,1,0,0,0,0|2,0,1]=4 550 B9R1.15 c1cc(c(nc1)F)CN AB23466 [0,1,0,0,0,0|2,0,1]=4 551 B9R1.15 c1cc(c(nc1)N)C#N AB03606 [0,1,0,0,0,0|2,0,1]=4 552 B9R1.15 c1cc(c(nc1)N)C=O AB09963 [0,1,0,0,0,0|1,0,0]=2 553 B9R1.15 c1cc(c(nc1)N)CCl AB21190 [0,1,0,0,0,0|2,0,1]=4 554 B9R1.15 c1cc(c(nc1)N)CO PB32383 [0,1,0,0,0,0|1,0,2]=4 555 B9R1.15 c1cc(c(nc1)NN)Br MB01287 [0,1,0,0,0,0|3,0,0]=4 556 B9R1.15 c1cc(c(nc1)O)C#N PB21004 [0,1,0,0,0,0|2,0,1]=4 557 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [0,1,0,0,0,0|1,0,0]=2 558 B9R1.15 c1cc(c(nc1)O)CO AB52938 [0,1,0,0,0,0|1,0,2]=4 559 B9R1.15 c1cc[n+](c(c1)CCl)[O-] AB59958 [0,1,0,0,0,0|2,0,1]=4 560 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [0,1,0,0,0,0|0,0,0]=1 561 B9R1.15 c1ccc(c(c1)CI)O MB07048 [0,1,0,0,0,0|1,0,1]=3 562 B9R1.15 c1ccc(c(c1)CN)O MB01565 [0,1,0,0,0,0|1,0,1]=3 563 B9R1.15 c1cnc(c(n1)C=O)Cl AB32644 [0,1,0,0,0,0|2,0,0]=3 564 B9R1.15 c1cnc(c(n1)C=O)N PB10822 [0,1,0,0,0,0|2,0,0]=3 565 B9R1.15 c1cncc(c1Br)C#N AB48189 [0,1,0,0,0,0|2,0,1]=4 566 B9R1.15 c1cncc(c1Br)C=O AB25683 [0,1,0,0,0,0|1,0,0]=2 567 B9R1.15 c1cncc(c1Br)C=O AB53933 [0,1,0,0,0,0|1,0,0]=2 568 B9R1.15 c1cncc(c1Br)CCl AB67965 [0,1,0,0,0,0|2,0,1]=4 569 B9R1.15 c1cncc(c1Br)CN AB67954 [0,1,0,0,0,0|2,0,1]=4 570 B9R1.15 c1cncc(c1C#N)Br AB05148 [0,1,0,0,0,0|2,0,1]=4 571 B9R1.15 c1cncc(c1C#N)Cl AB21895 [0,1,0,0,0,0|2,0,1]=4 572 B9R1.15 c1cncc(c1C#N)N AB16955 [0,1,0,0,0,0|2,0,1]=4 573 B9R1.15 c1cncc(c1C#N)O MB12322 [0,1,0,0,0,0|2,0,1]=4 574 B9R1.15 c1cncc(c1C=O)Br PB17335 [0,1,0,0,0,0|1,0,0]=2 575 B9R1.15 c1cncc(c1C=O)Cl AB23043 [0,1,0,0,0,0|1,0,0]=2 576 B9R1.15 c1cncc(c1C=O)F PB32422 [0,1,0,0,0,0|1,0,0]=2 577 B9R1.15 c1cncc(c1C=O)N PB20170 [0,1,0,0,0,0|1,0,0]=2 578 B9R1.15 c1cncc(c1C=O)O AB08714 [0,1,0,0,0,0|1,0,0]=2 579 B9R1.15 c1cncc(c1CCl)Br AB67648 [0,1,0,0,0,0|2,0,1]=4 580 B9R1.15 c1cncc(c1CCl)Cl AB67608 [0,1,0,0,0,0|2,0,1]=4 581 B9R1.15 c1cncc(c1CCl)F AB67665 [0,1,0,0,0,0|2,0,1]=4 582 B9R1.15 c1cncc(c1CN)Br AB63141 [0,1,0,0,0,0|2,0,1]=4 583 B9R1.15 c1cncc(c1CN)Cl AB63139 [0,1,0,0,0,0|2,0,1]=4 584 B9R1.15 c1cncc(c1CN)F AB63136 [0,1,0,0,0,0|2,0,1]=4 585 B9R1.15 c1cncc(c1CN)N AB49287 [0,1,0,0,0,0|2,0,1]=4 586 B9R1.15 c1cncc(c1CN)O MB09249 [0,1,0,0,0,0|2,0,1]=4 587 B9R1.15 c1cncc(c1CO)Br PB19192 [0,1,0,0,0,0|1,0,2]=4 588 B9R1.15 c1cncc(c1CO)F PB29849 [0,1,0,0,0,0|1,0,2]=4 589 B9R1.15 c1cncc(c1CO)N AB25787 [0,1,0,0,0,0|1,0,2]=4 590 B9R1.15 c1cncc(c1Cl)C#N AB43637 [0,1,0,0,0,0|2,0,1]=4 591 B9R1.15 c1cncc(c1Cl)C=O AB17590 [0,1,0,0,0,0|1,0,0]=2 592 B9R1.15 c1cncc(c1Cl)CCl AB60091 [0,1,0,0,0,0|2,0,1]=4 593 B9R1.15 c1cncc(c1Cl)CN AB49675 [0,1,0,0,0,0|2,0,1]=4 594 B9R1.15 c1cncc(c1F)C#N AB17580 [0,1,0,0,0,0|2,0,1]=4 595 B9R1.15 c1cncc(c1F)C=O AB32109 [0,1,0,0,0,0|1,0,0]=2 596 B9R1.15 c1cncc(c1F)CCl AB68054 [0,1,0,0,0,0|2,0,1]=4 597 B9R1.15 c1cncc(c1F)CN AB68023 [0,1,0,0,0,0|2,0,1]=4 598 B9R1.15 c1cncc(c1N)C#N AB16952 [0,1,0,0,0,0|2,0,1]=4 599 B9R1.15 c1cncc(c1N)C=O AB12471 [0,1,0,0,0,0|1,0,0]=2 600 B9R1.15 c1cncc(c1N)C=O PB27639 [0,1,0,0,0,0|1,0,0]=2 601 B9R1.15 c1cncc(c1N)CCl AB31893 [0,1,0,0,0,0|2,0,1]=4 602 B9R1.15 c1cncc(c1N)CO PB14435 [0,1,0,0,0,0|1,0,2]=4 603 B9R1.15 c1cncc(c1O)C#N MB01597 [0,1,0,0,0,0|2,0,1]=4 604 B9R1.15 c1cncc(c1O)C=O AB59870 [0,1,0,0,0,0|1,0,0]=2 605 B9R1.15 c1cncc(c1O)CN MB35531 [0,1,0,0,0,0|2,0,1]=4 606 B9R1.15 c1nc(c(nn1)Cl)C=O AB72441 [0,1,0,0,0,0|3,0,0]=4 607 B7R1.1 C1=NC=NC1C=O PB14141 [0,0,0,0,1,0|2,0,1]=4 608 B7R1.1 C1=NN=CC1C=O PB14282 [0,0,0,0,1,0|2,0,1]=4 609 B7R1.1 C1C=C(C=N1)C=O AB15013 [0,0,0,0,1,0|1,0,1]=3 610 B7R1.1 C1C=C(N=N1)C=O AB25611 [0,0,0,0,1,0|2,0,1]=4 611 B7R1.1 C1C=CCC1C=O AB76805 [0,0,0,0,1,0|0,0,3]=4 612 B7R1.1 C1C=CN=C1C=O AB00388 [0,0,0,0,1,0|1,0,1]=3 613 B7R1.1 c1[nH]c(nn1)C=O AB48516 [0,0,0,0,1,0|3,0,0]=4 614 B7R1.1 c1[nH]nc(n1)C=O AB63486 [0,0,0,0,1,0|3,0,0]=4 615 B7R1.1 c1c(con1)C=O AB11289 [0,0,0,0,1,0|2,0,0]=3 616 B7R1.1 c1c(csn1)C=O AB62620 [0,0,0,0,1,0|2,0,0]=3 617 B7R1.1 c1c(nco1)C=O PB23292 [0,0,0,0,1,0|2,0,0]=3 618 B7R1.1 c1c(ncs1)C=O AB06592 [0,0,0,0,1,0|2,0,0]=3 619 B7R1.1 c1c(ocn1)C=O AB11283 [0,0,0,0,1,0|2,0,0]=3 620 B7R1.1 c1c(scn1)C=O AB11293 [0,0,0,0,1,0|2,0,0]=3 621 B7R1.1 c1cc(oc1)C#N AB00309 [0,0,0,0,1,0|2,0,1]=4 622 B7R1.1 c1cc(oc1)CCl MB06568 [0,0,0,0,1,0|2,0,1]=4 623 B7R1.1 c1cc(sc1)CN PB17027 [0,0,0,0,1,0|2,0,1]=4 624 B7R1.1 c1cc(sc1)CO PB10001 [0,0,0,0,1,0|1,0,2]=4 625 B7R1.1 c1cn(nn1)C=O MB06576 [0,0,0,0,1,0|3,0,0]=4 626 B7R1.1 c1cnsc1C=O AB32448 [0,0,0,0,1,0|2,0,0]=3 627 B7R1.1 c1coc(n1)C=O AB14413 [0,0,0,0,1,0|2,0,0]=3 628 B7R1.1 c1conc1C=O PB26237 [0,0,0,0,1,0|2,0,0]=3 629 B7R1.1 c1csc(n1)C=O PB12109 [0,0,0,0,1,0|2,0,0]=3 630 B7R1.1 c1cscc1C#N PB27442 [0,0,0,0,1,0|2,0,1]=4 631 B7R1.1 c1cscc1C=O PB14065 [0,0,0,0,1,0|1,0,0]=2 632 B7R1.1 c1cscc1CN AB13999 [0,0,0,0,1,0|2,0,1]=4 633 B7R1.1 c1cscc1CN PB12237 [0,0,0,0,1,0|2,0,1]=4 634 B7R1.1 c1cscc1CO PB10036 [0,0,0,0,1,0|1,0,2]=4 635 B8R1.3 Cc1ccc(=O)[nH]n1 PB21643 [1,1,0,0,0,0|2,0,0]=4 636 B8R1.3 Cc1ccc(cn1)Br AB06624 [1,1,0,0,0,0|1,0,1]=4 637 B8R1.3 Cc1ccc(cn1)Cl AB17956 [1,1,0,0,0,0|1,0,1]=4 638 B8R1.3 Cc1ccc(cn1)F PB18589 [1,1,0,0,0,0|1,0,1]=4 639 B8R1.3 Cc1ccc(cn1)N PB32227 [1,1,0,0,0,0|1,0,1]=4 640 B8R1.3 Cc1ccc(cn1)O PB30543 [1,1,0,0,0,0|1,0,1]=4 641 B8R1.3 Cc1ccc(nc1)Br PB17145 [1,1,0,0,0,0|1,0,1]=4 642 B8R1.3 Cc1ccc(nc1)Cl AB07104 [1,1,0,0,0,0|1,0,1]=4 643 B8R1.3 Cc1ccc(nc1)F AB01857 [1,1,0,0,0,0|1,0,1]=4 644 B8R1.3 Cc1ccc(nc1)N AB17938 [1,1,0,0,0,0|1,0,1]=4 645 B8R1.3 Cc1ccc(nc1)O AB13138 [1,1,0,0,0,0|1,0,1]=4 646 B8R1.3 c1c[n+](ccc1F)[O-] PB19565 [1,1,0,0,0,0|1,0,1]=4 647 B8R1.3 c1cc(ncc1Br)Br AB00634 [1,1,0,0,0,0|2,0,0]=4 648 B8R1.3 c1cc(ncc1Br)Cl AB08767 [1,1,0,0,0,0|2,0,0]=4 649 B8R1.3 c1cc(ncc1Br)F PB30707 [1,1,0,0,0,0|2,0,0]=4 650 B8R1.3 c1cc(ncc1Br)N PB30536 [1,1,0,0,0,0|2,0,0]=4 651 B8R1.3 c1cc(ncc1Br)O AB05097 [1,1,0,0,0,0|1,0,1]=4 652 B8R1.3 c1cc(ncc1Br)S AB51097 [1,1,0,0,0,0|1,1,0]=4 653 B8R1.3 c1cc(ncc1Cl)Br AB05069 [1,1,0,0,0,0|2,0,0]=4 654 B8R1.3 c1cc(ncc1Cl)Cl AB00654 [1,1,0,0,0,0|2,0,0]=4 655 B8R1.3 c1cc(ncc1Cl)F AB17577 [1,1,0,0,0,0|2,0,0]=4 656 B8R1.3 c1cc(ncc1Cl)I AB32114 [1,1,0,0,0,0|2,0,0]=4 657 B8R1.3 c1cc(ncc1Cl)N AB00712 [1,1,0,0,0,0|2,0,0]=4 658 B8R1.3 c1cc(ncc1F)Br PB17160 [1,1,0,0,0,0|2,0,0]=4 659 B8R1.3 c1cc(ncc1F)I AB42989 [1,1,0,0,0,0|2,0,0]=4 660 B8R1.3 c1cc(ncc1F)N AB10107 [1,1,0,0,0,0|2,0,0]=4 661 B8R1.3 c1cc(ncc1I)Br PB14333 [1,1,0,0,0,0|2,0,0]=4 662 B8R1.3 c1cc(ncc1I)Cl AB10394 [1,1,0,0,0,0|2,0,0]=4 663 B8R1.3 c1cc(ncc1I)N PB25985 [1,1,0,0,0,0|2,0,0]=4 664 B8R1.3 c1cc(ncc1I)O AB05112 [1,1,0,0,0,0|1,0,1]=4 665 B8R1.3 c1cc(ncc1N)Br PB17224 [1,1,0,0,0,0|2,0,0]=4 666 B8R1.3 c1cc(ncc1N)Cl AB00661 [1,1,0,0,0,0|2,0,0]=4 667 B8R1.3 c1cc(ncc1N)F PB33962 [1,1,0,0,0,0|2,0,0]=4 668 B8R1.3 c1cc(ncc1N)O AB15078 [1,1,0,0,0,0|1,0,1]=4 669 B8R1.3 c1cc(ncc1O)Br PB15771 [1,1,0,0,0,0|1,0,1]=4 670 B8R1.3 c1cc(ncc1O)Cl PB32188 [1,1,0,0,0,0|1,0,1]=4 671 B8R1.3 c1cc(ncc1O)F AB08123 [1,1,0,0,0,0|1,0,1]=4 672 B8R1.3 c1cc(ncc1O)I AB50021 [1,1,0,0,0,0|1,0,1]=4 673 B8R1.3 c1cc(ncc1O)N AB15563 [1,1,0,0,0,0|1,0,1]=4 674 B8R1.4 C1C(=CC=NC1=O)Br PB17828 [1,1,0,0,0,0|1,0,1]=4 675 B8R1.4 Cc1cc(ccn1)Br AB17599 [1,1,0,0,0,0|1,0,1]=4 676 B8R1.4 Cc1cc(ccn1)Br PB26077 [1,1,0,0,0,0|1,0,1]=4 677 B8R1.4 Cc1cc(ccn1)Cl AB01756 [1,1,0,0,0,0|1,0,1]=4 678 B8R1.4 Cc1cc(ccn1)F AB17919 [1,1,0,0,0,0|1,0,1]=4 679 B8R1.4 Cc1cc(ccn1)O PB24839 [1,1,0,0,0,0|1,0,1]=4 680 B8R1.4 Cc1cc(cnc1)Br AB09597 [1,1,0,0,0,0|1,0,1]=4 681 B8R1.4 Cc1cc(cnc1)Cl AB17994 [1,1,0,0,0,0|1,0,1]=4 682 B8R1.4 Cc1cc(cnc1)F AB13643 [1,1,0,0,0,0|1,0,1]=4 683 B8R1.4 Cc1cc(cnc1)N AB17573 [1,1,0,0,0,0|1,0,1]=4 684 B8R1.4 Cc1cc(cnc1)O MB01362 [1,1,0,0,0,0|1,0,1]=4 685 B8R1.4 Cc1cc[nH]c(=O)n1 PB19074 [1,1,0,0,0,0|2,0,0]=4 686 B8R1.4 Cc1cccc(n1)Br AB01812 [1,1,0,0,0,0|1,0,1]=4 687 B8R1.4 Cc1cccc(n1)Cl AB00666 [1,1,0,0,0,0|1,0,1]=4 688 B8R1.4 Cc1cccc(n1)F AB01860 [1,1,0,0,0,0|1,0,1]=4 689 B8R1.4 Cc1cccc(n1)N AB00717 [1,1,0,0,0,0|1,0,1]=4 690 B8R1.4 Cc1cccc(n1)O AB00679 [1,1,0,0,0,0|1,0,1]=4 691 B8R1.4 Cc1cccc(n1)S AB25230 [1,1,0,0,0,0|1,0,1]=4 692 B8R1.4 Cc1ccnc(c1)Br AB03099 [1,1,0,0,0,0|1,0,1]=4 693 B8R1.4 Cc1ccnc(c1)Cl PB10051 [1,1,0,0,0,0|1,0,1]=4 694 B8R1.4 Cc1ccnc(c1)F AB01854 [1,1,0,0,0,0|1,0,1]=4 695 B8R1.4 Cc1ccnc(c1)N AB00703 [1,1,0,0,0,0|1,0,1]=4 696 B8R1.4 Cc1ccnc(c1)O AB03735 [1,1,0,0,0,0|1,0,1]=4 697 B8R1.4 c1c(cncc1Br)Br AB01172 [1,1,0,0,0,0|2,0,0]=4 698 B8R1.4 c1c(cncc1Br)Cl AB18001 [1,1,0,0,0,0|2,0,0]=4 699 B8R1.4 c1c(cncc1Br)N PB12251 [1,1,0,0,0,0|2,0,0]=4 700 B8R1.4 c1c(cncc1Br)O PB30658 [1,1,0,0,0,0|1,0,1]=4 701 B8R1.4 c1c(cncc1Cl)Cl AB00743 [1,1,0,0,0,0|2,0,0]=4 702 B8R1.4 c1c(cncc1Cl)F AB21896 [1,1,0,0,0,0|2,0,0]=4 703 B8R1.4 c1c(cncc1Cl)N AB15758 [1,1,0,0,0,0|2,0,0]=4 704 B8R1.4 c1c(cncc1F)F AB14383 [1,1,0,0,0,0|2,0,0]=4 705 B8R1.4 c1c(cncc1F)N AB05123 [1,1,0,0,0,0|2,0,0]=4 706 B8R1.4 c1c(cncc1F)O AB13569 [1,1,0,0,0,0|1,0,1]=4 707 B8R1.4 c1c(cncc1I)Br AB13102 [1,1,0,0,0,0|2,0,0]=4 708 B8R1.4 c1c(cncc1I)Cl AB43784 [1,1,0,0,0,0|2,0,0]=4 709 B8R1.4 c1c(cncc1I)F AB45557 [1,1,0,0,0,0|2,0,0]=4 710 B8R1.4 c1c(cncc1I)I PB19957 [1,1,0,0,0,0|2,0,0]=4 711 B8R1.4 c1c(cncc1I)N AB43802 [1,1,0,0,0,0|2,0,0]=4 712 B8R1.4 c1c(cncc1N)N AB07746 [1,1,0,0,0,0|2,0,0]=4 713 B8R1.4 c1c(cncc1O)N AB17983 [1,1,0,0,0,0|1,0,1]=4 714 B8R1.4 c1c(cncc1O)O MB02073 [1,1,0,0,0,0|1,0,1]=4 715 B8R1.4 c1cc(c[n+](c1)[O-])Br AB09548 [1,1,0,0,0,0|1,0,1]=4 716 B8R1.4 c1cc(nc(c1)Br)Br AB00637 [1,1,0,0,0,0|2,0,0]=4 717 B8R1.4 c1cc(nc(c1)Br)Cl PB33830 [1,1,0,0,0,0|2,0,0]=4 718 B8R1.4 c1cc(nc(c1)Br)F AB13626 [1,1,0,0,0,0|2,0,0]=4 719 B8R1.4 c1cc(nc(c1)Br)N PB32140 [1,1,0,0,0,0|2,0,0]=4 720 B8R1.4 c1cc(nc(c1)Br)O AB05100 [1,1,0,0,0,0|1,0,1]=4 721 B8R1.4 c1cc(nc(c1)Cl)Cl AB00664 [1,1,0,0,0,0|2,0,0]=4 722 B8R1.4 c1cc(nc(c1)Cl)F AB02970 [1,1,0,0,0,0|2,0,0]=4 723 B8R1.4 c1cc(nc(c1)Cl)N PB26011 [1,1,0,0,0,0|2,0,0]=4 724 B8R1.4 c1cc(nc(c1)F)N AB17974 [1,1,0,0,0,0|2,0,0]=4 725 B8R1.4 c1cc(nc(c1)I)Cl AB42915 [1,1,0,0,0,0|2,0,0]=4 726 B8R1.4 c1cc(nc(c1)I)I AB31088 [1,1,0,0,0,0|2,0,0]=4 727 B8R1.4 c1cc(nc(c1)I)N AB42508 [1,1,0,0,0,0|2,0,0]=4 728 B8R1.4 c1cnc(cc1Br)Br PB10210 [1,1,0,0,0,0|2,0,0]=4 729 B8R1.4 c1cnc(cc1Br)Cl AB16617 [1,1,0,0,0,0|2,0,0]=4 730 B8R1.4 c1cnc(cc1Br)F AB17567 [1,1,0,0,0,0|2,0,0]=4 731 B8R1.4 c1cnc(cc1Br)I AB31627 [1,1,0,0,0,0|2,0,0]=4 732 B8R1.4 c1cnc(cc1Br)N PB12936 [1,1,0,0,0,0|2,0,0]=4 733 B8R1.4 c1cnc(cc1Cl)Br PB23373 [1,1,0,0,0,0|2,0,0]=4 734 B8R1.4 c1cnc(cc1Cl)Cl AB07735 [1,1,0,0,0,0|2,0,0]=4 735 B8R1.4 c1cnc(cc1Cl)F AB17564 [1,1,0,0,0,0|2,0,0]=4 736 B8R1.4 c1cnc(cc1Cl)N PB32361 [1,1,0,0,0,0|2,0,0]=4 737 B8R1.4 c1cnc(cc1Cl)O AB13188 [1,1,0,0,0,0|1,0,1]=4 738 B8R1.4 c1cnc(cc1F)Br AB50032 [1,1,0,0,0,0|2,0,0]=4 739 B8R1.4 c1cnc(cc1F)Cl AB17349 [1,1,0,0,0,0|2,0,0]=4 740 B8R1.4 c1cnc(cc1F)F PB26122 [1,1,0,0,0,0|2,0,0]=4 741 B8R1.4 c1cnc(cc1F)N AB50025 [1,1,0,0,0,0|2,0,0]=4 742 B8R1.4 c1cnc(cc1I)Br PB29229 [1,1,0,0,0,0|2,0,0]=4 743 B8R1.4 c1cnc(cc1I)Cl PB17253 [1,1,0,0,0,0|2,0,0]=4 744 B8R1.4 c1cnc(cc1I)F PB12274 [1,1,0,0,0,0|2,0,0]=4 745 B8R1.4 c1cnc(cc1I)N PB10642 [1,1,0,0,0,0|2,0,0]=4 746 B8R1.4 c1cnc(cc1N)Br PB30686 [1,1,0,0,0,0|2,0,0]=4 747 B8R1.4 c1cnc(cc1N)Cl PB24583 [1,1,0,0,0,0|2,0,0]=4 748 B8R1.4 c1cnc(cc1N)F PB21208 [1,1,0,0,0,0|2,0,0]=4 749 B8R1.4 c1cnc(cc1N)O PB15716 [1,1,0,0,0,0|1,0,1]=4 750 B8R1.4 c1cnc(cc1O)Br AB05095 [1,1,0,0,0,0|1,0,1]=4 751 B8R1.4 c1cnc(cc1O)Cl AB09576 [1,1,0,0,0,0|1,0,1]=4 752 B8R1.4 c1cnc(cc1O)F AB17930 [1,1,0,0,0,0|1,0,1]=4 753 B8R1.4 c1cnc(cc1O)I MB26582 [1,1,0,0,0,0|1,0,1]=4 754 B8R1.4 c1cnc(cc1O)N AB17934 [1,1,0,0,0,0|1,0,1]=4 755 B8R1.5 Cc1c(cccn1)Br PB27472 [1,1,0,0,0,0|1,0,1]=4 756 B8R1.5 Cc1c(cccn1)Cl AB17903 [1,1,0,0,0,0|1,0,1]=4 757 B8R1.5 Cc1c(cccn1)F AB48604 [1,1,0,0,0,0|1,0,1]=4 758 B8R1.5 Cc1c(cccn1)N PB33695 [1,1,0,0,0,0|1,0,1]=4 759 B8R1.5 Cc1c(cccn1)O PB18442 [1,1,0,0,0,0|1,0,1]=4 760 B8R1.5 Cc1cccnc1Br AB05448 [1,1,0,0,0,0|1,0,1]=4 761 B8R1.5 Cc1cccnc1Cl AB05179 [1,1,0,0,0,0|1,0,1]=4 762 B8R1.5 Cc1cccnc1N AB17908 [1,1,0,0,0,0|1,0,1]=4 763 B8R1.5 Cc1cccnc1O AB03538 [1,1,0,0,0,0|1,0,1]=4 764 B8R1.5 Cc1ccncc1Br AB03104 [1,1,0,0,0,0|1,0,1]=4 765 B8R1.5 Cc1ccncc1Cl AB18019 [1,1,0,0,0,0|1,0,1]=4 766 B8R1.5 Cc1ccncc1F AB18002 [1,1,0,0,0,0|1,0,1]=4 767 B8R1.5 Cc1ccncc1N PB14127 [1,1,0,0,0,0|1,0,1]=4 768 B8R1.5 Cc1ccncc1O PB23391 [1,1,0,0,0,0|1,0,1]=4 769 B8R1.5 Cc1cnccc1Br AB20846 [1,1,0,0,0,0|1,0,1]=4 770 B8R1.5 Cc1cnccc1Br PB23248 [1,1,0,0,0,0|1,0,1]=4 771 B8R1.5 Cc1cnccc1Cl AB11511 [1,1,0,0,0,0|1,0,1]=4 772 B8R1.5 Cc1cnccc1F AB18013 [1,1,0,0,0,0|1,0,1]=4 773 B8R1.5 Cc1cnccc1N PB17234 [1,1,0,0,0,0|1,0,1]=4 774 B8R1.5 c1cc(c(nc1)Br)Br AB05083 [1,1,0,0,0,0|2,0,0]=4 775 B8R1.5 c1cc(c(nc1)Br)Cl AB17348 [1,1,0,0,0,0|2,0,0]=4 776 B8R1.5 c1cc(c(nc1)Br)F PB14380 [1,1,0,0,0,0|2,0,0]=4 777 B8R1.5 c1cc(c(nc1)Br)I MB06974 [1,1,0,0,0,0|2,0,0]=4 778 B8R1.5 c1cc(c(nc1)Br)N AB17900 [1,1,0,0,0,0|2,0,0]=4 779 B8R1.5 c1cc(c(nc1)Br)N PB26005 [1,1,0,0,0,0|2,0,0]=4 780 B8R1.5 c1cc(c(nc1)Br)O PB28951 [1,1,0,0,0,0|1,0,1]=4 781 B8R1.5 c1cc(c(nc1)Cl)Br PB33875 [1,1,0,0,0,0|2,0,0]=4 782 B8R1.5 c1cc(c(nc1)Cl)Cl AB00641 [1,1,0,0,0,0|2,0,0]=4 783 B8R1.5 c1cc(c(nc1)Cl)F AB13662 [1,1,0,0,0,0|2,0,0]=4 784 B8R1.5 c1cc(c(nc1)Cl)I AB06631 [1,1,0,0,0,0|2,0,0]=4 785 B8R1.5 c1cc(c(nc1)Cl)N PB23167 [1,1,0,0,0,0|2,0,0]=4 786 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [1,1,0,0,0,0|1,0,1]=4 787 B8R1.5 c1cc(c(nc1)F)I AB13652 [1,1,0,0,0,0|2,0,0]=4 788 B8R1.5 c1cc(c(nc1)F)N AB17917 [1,1,0,0,0,0|2,0,0]=4 789 B8R1.5 c1cc(c(nc1)I)Br AB45745 [1,1,0,0,0,0|2,0,0]=4 790 B8R1.5 c1cc(c(nc1)I)F AB13656 [1,1,0,0,0,0|2,0,0]=4 791 B8R1.5 c1cc(c(nc1)I)I AB25846 [1,1,0,0,0,0|2,0,0]=4 792 B8R1.5 c1cc(c(nc1)I)O MB00322 [1,1,0,0,0,0|1,0,1]=4 793 B8R1.5 c1cc(c(nc1)N)Br PB20016 [1,1,0,0,0,0|2,0,0]=4 794 B8R1.5 c1cc(c(nc1)N)Cl AB15555 [1,1,0,0,0,0|2,0,0]=4 795 B8R1.5 c1cc(c(nc1)N)F AB17912 [1,1,0,0,0,0|2,0,0]=4 796 B8R1.5 c1cc(c(nc1)N)I PB12756 [1,1,0,0,0,0|2,0,0]=4 797 B8R1.5 c1cc(c(nc1)N)O AB00700 [1,1,0,0,0,0|1,0,1]=4 798 B8R1.5 c1cc(c(nc1)N)O AB17906 [1,1,0,0,0,0|1,0,1]=4 799 B8R1.5 c1cc(c(nc1)N)S AB64540 [1,1,0,0,0,0|1,1,0]=4 800 B8R1.5 c1cc(c(nc1)O)Br PB12284 [1,1,0,0,0,0|1,0,1]=4 801 B8R1.5 c1cc(c(nc1)O)F AB13427 [1,1,0,0,0,0|1,0,1]=4 802 B8R1.5 c1cc(c(nc1)O)I AB53303 [1,1,0,0,0,0|1,0,1]=4 803 B8R1.5 c1cc(c(nc1)O)N PB30752 [1,1,0,0,0,0|1,0,1]=4 804 B8R1.5 c1cc[n+](c(c1)S)[O-] AB00615 [1,1,0,0,0,0|1,0,1]=4 805 B8R1.5 c1cn[nH]c(=O)c1Cl PB31005 [1,1,0,0,0,0|2,0,0]=4 806 B8R1.5 c1cncc(c1Br)Br AB05087 [1,1,0,0,0,0|2,0,0]=4 807 B8R1.5 c1cncc(c1Br)Cl AB17643 [1,1,0,0,0,0|2,0,0]=4 808 B8R1.5 c1cncc(c1Br)F PB23387 [1,1,0,0,0,0|2,0,0]=4 809 B8R1.5 c1cncc(c1Br)N AB17638 [1,1,0,0,0,0|2,0,0]=4 810 B8R1.5 c1cncc(c1Br)O AB13187 [1,1,0,0,0,0|1,0,1]=4 811 B8R1.5 c1cncc(c1Cl)Br AB05074 [1,1,0,0,0,0|2,0,0]=4 812 B8R1.5 c1cncc(c1Cl)Cl AB10192 [1,1,0,0,0,0|2,0,0]=4 813 B8R1.5 c1cncc(c1Cl)F AB15511 [1,1,0,0,0,0|2,0,0]=4 814 B8R1.5 c1cncc(c1Cl)I AB05089 [1,1,0,0,0,0|2,0,0]=4 815 B8R1.5 c1cncc(c1Cl)N AB05299 [1,1,0,0,0,0|2,0,0]=4 816 B8R1.5 c1cncc(c1Cl)O AB12281 [1,1,0,0,0,0|1,0,1]=4 817 B8R1.5 c1cncc(c1F)Br AB17892 [1,1,0,0,0,0|2,0,0]=4 818 B8R1.5 c1cncc(c1F)Cl AB21349 [1,1,0,0,0,0|2,0,0]=4 819 B8R1.5 c1cncc(c1F)F AB18023 [1,1,0,0,0,0|2,0,0]=4 820 B8R1.5 c1cncc(c1F)N AB50028 [1,1,0,0,0,0|2,0,0]=4 821 B8R1.5 c1cncc(c1F)O AB64515 [1,1,0,0,0,0|1,0,1]=4 822 B8R1.5 c1cncc(c1I)F PB21191 [1,1,0,0,0,0|2,0,0]=4 823 B8R1.5 c1cncc(c1I)N PB23406 [1,1,0,0,0,0|2,0,0]=4 824 B8R1.5 c1cncc(c1I)O MB06807 [1,1,0,0,0,0|1,0,1]=4 825 B8R1.5 c1cncc(c1N)Br AB28611 [1,1,0,0,0,0|2,0,0]=4 826 B8R1.5 c1cncc(c1N)Cl AB16891 [1,1,0,0,0,0|2,0,0]=4 827 B8R1.5 c1cncc(c1N)F PB33879 [1,1,0,0,0,0|2,0,0]=4 828 B8R1.5 c1cncc(c1N)I AB12095 [1,1,0,0,0,0|2,0,0]=4 829 B8R1.5 c1cncc(c1O)Br AB09574 [1,1,0,0,0,0|1,0,1]=4 830 B8R1.5 c1cncc(c1O)F AB18011 [1,1,0,0,0,0|1,0,1]=4 831 B8R1.1 C1=C(N=CC1Cl)C=O PB27576 [0,1,0,0,1,0|1,0,1]=4 832 B8R1.1 CC1=CN=C(C1)C=O AB43814 [0,1,0,0,1,0|1,0,1]=4 833 B8R1.1 CC1=NC(=CC1)C=O AB43978 [0,1,0,0,1,0|1,0,1]=4 834 B8R1.1 Cc1[nH]c(cn1)C=O AB05024 [0,1,0,0,1,0|2,0,0]=4 835 B8R1.1 Cc1cc(on1)C=O CB11269 [0,1,0,0,1,0|2,0,0]=4 836 B8R1.1 Cc1ccc(s1)C=O AB00417 [0,1,0,0,1,0|1,0,0]=3 837 B8R1.1 Cc1cnc(s1)C=O AB43202 [0,1,0,0,1,0|2,0,0]=4 838 B8R1.1 Cc1coc(n1)C=O PB28183 [0,1,0,0,1,0|2,0,0]=4 839 B8R1.1 Cc1csc(n1)C=O PB14084 [0,1,0,0,1,0|2,0,0]=4 840 B8R1.1 Cc1nc(co1)C=O AB13940 [0,1,0,0,1,0|2,0,0]=4 841 B8R1.1 Cc1nc(cs1)C=O AB25415 [0,1,0,0,1,0|2,0,0]=4 842 B8R1.1 Cc1ncc(o1)C=O AB27658 [0,1,0,0,1,0|2,0,0]=4 843 B8R1.1 Cc1ncc(s1)C=O CB11336 [0,1,0,0,1,0|2,0,0]=4 844 B8R1.1 Cn1cc(cn1)C=O PB23185 [0,1,0,0,1,0|2,0,0]=4 845 B8R1.1 Cn1cc(nc1)C=O PB24797 [0,1,0,0,1,0|2,0,0]=4 846 B8R1.1 Cn1ccc(n1)C=O AB14508 [0,1,0,0,1,0|2,0,0]=4 847 B8R1.1 c1c(csc1Br)C=O PB31345 [0,1,0,0,1,0|1,0,0]=3 848 B8R1.1 c1c(csc1C=O)Br PB24526 [0,1,0,0,1,0|1,0,0]=3 849 B8R1.1 c1c(csc1C=O)Cl PB20572 [0,1,0,0,1,0|1,0,0]=3 850 B8R1.1 c1c(csc1Cl)C=O PB18241 [0,1,0,0,1,0|1,0,0]=3 851 B8R1.1 c1c(nc(o1)Cl)C=O AB68328 [0,1,0,0,1,0|2,0,0]=4 852 B8R1.1 c1c(onc1Br)C=O AB52798 [0,1,0,0,1,0|2,0,0]=4 853 B8R1.1 c1c(sc(n1)Br)C=O AB16053 [0,1,0,0,1,0|2,0,0]=4 854 B8R1.1 c1c(sc(n1)C=O)Br PB22294 [0,1,0,0,1,0|2,0,0]=4 855 B8R1.1 c1c(sc(n1)C=O)Cl PB22169 [0,1,0,0,1,0|2,0,0]=4 856 B8R1.1 c1c(sc(n1)Cl)C=O PB14244 [0,1,0,0,1,0|2,0,0]=4 857 B8R1.1 c1c(sc(n1)N)C=O AB11362 [0,1,0,0,1,0|2,0,0]=4 858 B8R1.1 c1cc(sc1C=O)Br PB32069 [0,1,0,0,1,0|1,0,0]=3 859 B8R1.1 c1cc(sc1C=O)Cl PB17085 [0,1,0,0,1,0|1,0,0]=3 860 B8R1.7 C1C=C(C=N1)C(=O)O MB01464 [0,1,0,0,1,0|1,0,1]=4 861 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [0,1,0,0,1,0|1,0,1]=4 862 B8R1.7 CC(=O)c1ccsc1 PB17033 [0,1,0,0,1,0|1,0,0]=3 863 B8R1.7 CC(=O)c1cocn1 AB73503 [0,1,0,0,1,0|2,0,0]=4 864 B8R1.7 CC(=O)c1ncco1 AB42105 [0,1,0,0,1,0|2,0,0]=4 865 B8R1.7 c1c(con1)C(=O)O AB27926 [0,1,0,0,1,0|2,0,0]=4 866 B8R1.7 c1c(csn1)C(=O)O AB48586 [0,1,0,0,1,0|2,0,0]=4 867 B8R1.7 c1c(nco1)C(=O)O PB14470 [0,1,0,0,1,0|2,0,0]=4 868 B8R1.7 c1c(nco1)C(=O)[O-] AB28203 [0,1,0,0,1,0|2,0,0]=4 869 B8R1.7 c1c(ncs1)C(=O)N AB06564 [0,1,0,0,1,0|2,0,0]=4 870 B8R1.7 c1c(ncs1)C(=O)O AB06561 [0,1,0,0,1,0|2,0,0]=4 871 B8R1.7 c1c(ocn1)C(=O)N AB19298 [0,1,0,0,1,0|2,0,0]=4 872 B8R1.7 c1c(ocn1)C(=O)O AB19293 [0,1,0,0,1,0|2,0,0]=4 873 B8R1.7 c1c(scn1)C(=O)O AB15430 [0,1,0,0,1,0|2,0,0]=4 874 B8R1.7 c1cc(oc1)C(=N)N AB07706 [0,1,0,0,1,0|2,0,0]=4 875 B8R1.7 c1cnsc1C(=O)O AB32452 [0,1,0,0,1,0|2,0,0]=4 876 B8R1.7 c1coc(n1)C(=O)N AB19289 [0,1,0,0,1,0|2,0,0]=4 877 B8R1.7 c1coc(n1)C(=O)O AB19305 [0,1,0,0,1,0|2,0,0]=4 878 B8R1.7 c1cocc1C(=O)O PB30525 [0,1,0,0,1,0|1,0,0]=3 879 B8R1.7 c1conc1C(=O)O PB26232 [0,1,0,0,1,0|2,0,0]=4 880 B8R1.7 c1csc(n1)C(=O)O AB10888 [0,1,0,0,1,0|2,0,0]=4 881 B8R1.7 c1cscc1C(=O)O PB18386 [0,1,0,0,1,0|1,0,0]=3 882 B8R1.7 c1csnc1C(=O)O PB34433 [0,1,0,0,1,0|2,0,0]=4 883 B8R1.8 c1cc(oc1)N=C=O AB53758 [0,1,0,0,1,0|1,0,1]=4 884 B8R1.8 c1coc(n1)CC=O AB57661 [0,1,0,0,1,0|2,0,0]=4 885 B8R1.8 c1cocc1N=C=O AB55259 [0,1,0,0,1,0|1,0,1]=4 886 B8R1.8 c1csc(n1)CC=O AB57662 [0,1,0,0,1,0|2,0,0]=4 887 B8R1.11 C1C=C(C(=N1)C=O)Br PB29916 [0,1,0,0,1,0|1,0,1]=4 888 B8R1.11 C1C=C(C(=N1)C=O)Cl PB23804 [0,1,0,0,1,0|1,0,1]=4 889 B8R1.11 CC1=C(N=CC1)C=O AB01496 [0,1,0,0,1,0|1,0,1]=4 890 B8R1.11 Cc1c(ccs1)C=O AB53893 [0,1,0,0,1,0|1,0,0]=3 891 B8R1.11 Cc1c(nco1)C=O AB62633 [0,1,0,0,1,0|2,0,0]=4 892 B8R1.11 Cc1c(ncs1)C=O AB62627 [0,1,0,0,1,0|2,0,0]=4 893 B8R1.11 Cc1c(scn1)C=O CB10986 [0,1,0,0,1,0|2,0,0]=4 894 B8R1.11 Cn1c(ccn1)C=O PB21218 [0,1,0,0,1,0|2,0,0]=4 895 B8R1.11 Cn1ccnc1C=O PB12922 [0,1,0,0,1,0|2,0,0]=4 896 B8R1.11 Cn1cncc1C=O PB21631 [0,1,0,0,1,0|2,0,0]=4 897 B8R1.11 c1c(c(cs1)Br)C=O AB08778 [0,1,0,0,1,0|1,0,0]=3 898 B8R1.11 c1coc(c1Br)C=O AB31934 [0,1,0,0,1,0|1,0,0]=3 899 B8R1.11 c1csc(c1Br)C=O PB25976 [0,1,0,0,1,0|1,0,0]=3 900 B8R1.11 c1csc(c1Cl)C=O PB32269 [0,1,0,0,1,0|1,0,0]=3 901 B10R1.1 C#CCc1ccc(cc1)Br AB61388 [0,2,0,0,0,0|1,0,1]=4 902 B10R1.1 C#CCc1ccc(cc1)Cl AB61380 [0,2,0,0,0,0|1,0,1]=4 903 B10R1.1 C#CCc1ccc(cc1)F AB61384 [0,2,0,0,0,0|1,0,1]=4 904 B10R1.1 C#CCc1ccc(cc1)I AB73225 [0,2,0,0,0,0|1,0,1]=4 905 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [0,2,0,0,0,0|0,0,0]=2 906 B10R1.1 Cc1ccc(cc1)\C=C\Br AB73509 [0,2,0,0,0,0|1,0,0]=3 907 B10R1.1 Cc1ccc(cn1)N=C=O AB43377 [0,2,0,0,0,0|1,0,1]=4 908 B10R1.1 Cc1ccc(nc1)\C=N\O AB72002 [0,2,0,0,0,0|1,0,1]=4 909 B10R1.1 c1c(cnc(n1)CC=O)Cl AB59163 [0,2,0,0,0,0|2,0,0]=4 910 B10R1.1 c1cc(ccc1CC#N)F AB00175 [0,2,0,0,0,0|1,0,1]=4 911 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [0,2,0,0,0,0|0,0,0]=2 912 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [0,2,0,0,0,0|0,0,0]=2 913 B10R1.1 c1cc(ccc1CC=O)F AB11805 [0,2,0,0,0,0|0,0,0]=2 914 B10R1.1 c1cc(ccc1CC=O)N AB27688 [0,2,0,0,0,0|0,0,0]=2 915 B10R1.1 c1cc(ccc1CCBr)N MB02970 [0,2,0,0,0,0|1,0,1]=4 916 B10R1.1 c1cc(ccc1CCN)Br AB00934 [0,2,0,0,0,0|1,0,1]=4 917 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [0,2,0,0,0,0|1,0,1]=4 918 B10R1.1 c1cc(ccc1CCN)F AB03730 [0,2,0,0,0,0|1,0,1]=4 919 B10R1.1 c1cc(ccc1CCN)N AB00936 [0,2,0,0,0,0|1,0,1]=4 920 B10R1.1 c1cc(ccc1CCO)Br AB00280 [0,2,0,0,0,0|0,0,2]=4 921 B10R1.1 c1cc(ccc1CNN)Br PB32548 [0,2,0,0,0,0|1,0,1]=4 922 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [0,2,0,0,0,0|1,0,1]=4 923 B10R1.1 c1cc(ccc1CNN)F PB20964 [0,2,0,0,0,0|1,0,1]=4 924 B10R1.1 c1cc(ccc1N=[N+]=[N-])Br AB50568 [0,2,0,0,0,0|2,0,0]=4 925 B10R1.1 c1cc(ccc1\C=C\Br)Br AB32162 [0,2,0,0,0,0|1,0,0]=3 926 B10R1.1 c1cc(ccc1\C=C\Br)Cl AB32165 [0,2,0,0,0,0|1,0,0]=3 927 B10R1.1 c1cc(ccc1\C=C\Br)F AB66443 [0,2,0,0,0,0|1,0,0]=3 928 B10R1.1 c1cc(ccc1\C=N\O)Br AB06151 [0,2,0,0,0,0|0,0,1]=3 929 B10R1.1 c1cc(ncc1N=C=O)Br AB74208 [0,2,0,0,0,0|1,0,1]=4 930 B10R1.1 c1cc(ncc1N=C=O)Cl AB32043 [0,2,0,0,0,0|1,0,1]=4 931 B10R1.1 c1cc(ncc1N=C=O)F AB74204 [0,2,0,0,0,0|1,0,1]=4 932 B10R1.3 C#Cc1ccc(cc1)C=O AB22364 [0,2,0,0,0,0|0,0,0]=2 933 B10R1.3 C#Cc1ncc(cn1)C=O AB69146 [0,2,0,0,0,0|2,0,0]=4 934 B10R1.3 CCc1ccc(cc1)NN AB10141 [0,2,0,0,0,0|1,0,1]=4 935 B10R1.3 CNc1ncc(cn1)C=O AB30585 [0,2,0,0,0,0|2,0,0]=4 936 B10R1.3 COc1ccc(cc1)C#N AB00162 [0,2,0,0,0,0|1,0,1]=4 937 B10R1.3 COc1ccc(cc1)NN AB11940 [0,2,0,0,0,0|2,0,0]=4 938 B10R1.3 COc1ccc(nc1)C=O PB17495 [0,2,0,0,0,0|1,0,0]=3 939 B10R1.3 COc1ccc(nn1)C=O AB61123 [0,2,0,0,0,0|2,0,0]=4 940 B10R1.3 COc1cnc(cn1)C=O AB60467 [0,2,0,0,0,0|2,0,0]=4 941 B10R1.3 COc1cnc(nc1)C=O AB59742 [0,2,0,0,0,0|2,0,0]=4 942 B10R1.3 COc1ncc(cn1)C=O AB15446 [0,2,0,0,0,0|2,0,0]=4 943 B10R1.3 CSc1ccc(cc1)CCl AB05549 [0,2,0,0,0,0|1,0,1]=4 944 B10R1.3 CSc1ccc(cc1)CO AB00982 [0,2,0,0,0,0|0,0,2]=4 945 B10R1.3 CSc1ncc(cn1)C=O PB17314 [0,2,0,0,0,0|2,0,0]=4 946 B10R1.3 c1c(cnc(n1)CCl)C=O AB59413 [0,2,0,0,0,0|2,0,0]=4 947 B10R1.3 c1c(cnc(n1)CN)C=O AB63214 [0,2,0,0,0,0|2,0,0]=4 948 B10R1.3 c1c(ncc(n1)C=O)C=O AB70646 [0,2,0,0,0,0|2,0,0]=4 949 B10R1.3 c1cc(ccc1C#N)NN AB06913 [0,2,0,0,0,0|1,0,1]=4 950 B10R1.3 c1cc(ccc1CN)CO AB23442 [0,2,0,0,0,0|0,0,2]=4 951 B10R1.3 c1cc(ncc1C#N)C=O AB67705 [0,2,0,0,0,0|1,0,0]=3 952 B10R1.3 c1cc(ncc1C=O)C#N AB66011 [0,2,0,0,0,0|1,0,0]=3 953 B10R1.3 c1cc(ncc1C=O)CCl AB69673 [0,2,0,0,0,0|1,0,0]=3 954 B10R1.3 c1cc(ncc1CCl)C=O AB59921 [0,2,0,0,0,0|1,0,0]=3 955 B10R1.3 c1cc(nnc1C=O)C=O AB74050 [0,2,0,0,0,0|2,0,0]=4 956 B10R1.13 B(c1ccc(cc1)Br)(O)O AB00202 [0,2,0,0,0,0|1,0,1]=4 957 B10R1.13 B(c1ccc(cc1)C)(O)O AB01767 [0,2,0,0,0,0|1,0,1]=4 958 B10R1.13 B(c1ccc(cc1)Cl)(O)O AB01763 [0,2,0,0,0,0|1,0,1]=4 959 B10R1.13 B(c1ccc(cc1)F)(O)O AB01761 [0,2,0,0,0,0|1,0,1]=4 960 B10R1.13 B(c1ccc(cc1)I)(O)O AB08832 [0,2,0,0,0,0|1,0,1]=4 961 B10R1.13 B(c1ccc(cc1)N)(O)O AB08102 [0,2,0,0,0,0|1,0,1]=4 962 B10R1.13 B(c1ccc(cc1)O)(O)O AB08076 [0,2,0,0,0,0|1,0,1]=4 963 B10R1.13 B(c1ccc(cc1)S)(O)O AB13276 [0,2,0,0,0,0|1,0,1]=4 964 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [0,2,0,0,0,0|1,0,0]=3 965 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [0,2,0,0,0,0|1,0,0]=3 966 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [0,2,0,0,0,0|1,0,0]=3 967 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [0,2,0,0,0,0|1,0,0]=3 968 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [0,2,0,0,0,0|1,0,0]=3 969 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [0,2,0,0,0,0|1,0,0]=3 970 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [0,2,0,0,0,0|1,0,0]=3 971 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [0,2,0,0,0,0|1,0,0]=3 972 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [0,2,0,0,0,0|1,0,0]=3 973 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [0,2,0,0,0,0|1,0,0]=3 974 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [0,2,0,0,0,0|1,0,0]=3 975 B10R1.13 CC(=O)c1ccc(nn1)Cl PB20488 [0,2,0,0,0,0|2,0,0]=4 976 B10R1.13 CC(=O)c1cnc(cn1)Cl AB65450 [0,2,0,0,0,0|2,0,0]=4 977 B10R1.13 CC(=O)c1cnc(nc1)Cl AB59098 [0,2,0,0,0,0|2,0,0]=4 978 B10R1.13 CC(=O)c1ncc(cn1)Br PB34979 [0,2,0,0,0,0|2,0,0]=4 979 B10R1.13 CC(=O)c1ncc(cn1)F PB24344 [0,2,0,0,0,0|2,0,0]=4 980 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [0,2,0,0,0,0|2,0,0]=4 981 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [0,2,0,0,0,0|2,0,0]=4 982 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [0,2,0,0,0,0|1,0,0]=3 983 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [0,2,0,0,0,0|0,1,0]=3 984 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [0,2,0,0,0,0|1,0,0]=3 985 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [0,2,0,0,0,0|1,0,0]=3 986 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [0,2,0,0,0,0|1,0,0]=3 987 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] PB18660 [0,2,0,0,0,0|2,0,0]=4 988 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [0,2,0,0,0,0|1,0,0]=3 989 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [0,2,0,0,0,0|1,0,0]=3 990 B10R1.13 Cc1ccc(nn1)C(=O)C AB75459 [0,2,0,0,0,0|2,0,0]=4 991 B10R1.13 Cc1ccc(nn1)C(=O)O AB52759 [0,2,0,0,0,0|2,0,0]=4 992 B10R1.13 Cc1cnc(cn1)C(=O)C AB02269 [0,2,0,0,0,0|2,0,0]=4 993 B10R1.13 Cc1cnc(cn1)C(=O)N CB10282 [0,2,0,0,0,0|2,0,0]=4 994 B10R1.13 Cc1cnc(cn1)C(=O)O PB12995 [0,2,0,0,0,0|2,0,0]=4 995 B10R1.13 Cc1cnc(nc1)C(=O)O PB29748 [0,2,0,0,0,0|2,0,0]=4 996 B10R1.13 Cc1ncc(cn1)C(=O)O PB27884 [0,2,0,0,0,0|2,0,0]=4 997 B10R1.13 c1c(cnc(n1)Br)C(=O)N MB14155 [0,2,0,0,0,0|2,0,0]=4 998 B10R1.13 c1c(cnc(n1)C(=O)N)Br MB01294 [0,2,0,0,0,0|2,0,0]=4 999 B10R1.13 c1c(cnc(n1)C(=O)O)Br PB33902 [0,2,0,0,0,0|2,0,0]=4 1000 B10R1.13 c1c(cnc(n1)C(=O)O)Cl PB13081 [0,2,0,0,0,0|2,0,0]=4 1001 B10R1.13 c1c(cnc(n1)C(=O)O)F PB31127 [0,2,0,0,0,0|2,0,0]=4 1002 B10R1.13 c1c(cnc(n1)C(=O)O)N PB34128 [0,2,0,0,0,0|2,0,0]=4 1003 B10R1.13 c1c(cnc(n1)Cl)C(=O)O PB24941 [0,2,0,0,0,0|2,0,0]=4 1004 B10R1.13 c1c(cnc(n1)N)C(=O)O AB22915 [0,2,0,0,0,0|2,0,0]=4 1005 B10R1.13 c1c(cnc(n1)O)C(=O)O PB14569 [0,2,0,0,0,0|2,0,0]=4 1006 B10R1.13 c1c(ncc(n1)Br)C(=O)N MB14265 [0,2,0,0,0,0|2,0,0]=4 1007 B10R1.13 c1c(ncc(n1)Br)C(=O)O AB54768 [0,2,0,0,0,0|2,0,0]=4 1008 B10R1.13 c1c(ncc(n1)Cl)C(=O)O PB34349 [0,2,0,0,0,0|2,0,0]=4 1009 B10R1.13 c1c(ncc(n1)N)C(=O)O PB32499 [0,2,0,0,0,0|2,0,0]=4 1010 B10R1.13 c1c(ncc(n1)O)C(=O)O PB32161 [0,2,0,0,0,0|2,0,0]=4 1011 B10R1.13 c1c[n+](ccc1[N+](=O)[O-])[O-] AB00617 [0,2,0,0,0,0|2,0,0]=4 1012 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [0,2,0,0,0,0|1,0,0]=3 1013 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [0,2,0,0,0,0|1,0,0]=3 1014 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [0,2,0,0,0,0|1,0,0]=3 1015 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [0,2,0,0,0,0|1,0,0]=3 1016 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [0,2,0,0,0,0|1,0,0]=3 1017 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [0,2,0,0,0,0|1,0,0]=3 1018 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [0,2,0,0,0,0|0,1,0]=3 1019 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [0,2,0,0,0,0|0,1,0]=3 1020 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [0,2,0,0,0,0|0,1,0]=3 1021 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [0,2,0,0,0,0|0,1,0]=3 1022 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [0,2,0,0,0,0|0,1,0]=3 1023 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [0,2,0,0,0,0|1,0,0]=3 1024 B10R1.13 c1cc(ncc1Br)C(=O)[O-] AB42654 [0,2,0,0,0,0|1,0,0]=3 1025 B10R1.13 c1cc(ncc1Br)[N+](=O)[O-] AB04221 [0,2,0,0,0,0|2,0,0]=4 1026 B10R1.13 c1cc(ncc1C(=N)N)F PB38856 [0,2,0,0,0,0|2,0,0]=4 1027 B10R1.13 c1cc(ncc1C(=O)Cl)F AB42627 [0,2,0,0,0,0|1,0,0]=3 1028 B10R1.13 c1cc(ncc1C(=O)N)Br MB01098 [0,2,0,0,0,0|1,0,0]=3 1029 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [0,2,0,0,0,0|1,0,0]=3 1030 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [0,2,0,0,0,0|1,0,0]=3 1031 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [0,2,0,0,0,0|1,0,0]=3 1032 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [0,2,0,0,0,0|1,0,0]=3 1033 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [0,2,0,0,0,0|1,0,0]=3 1034 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [0,2,0,0,0,0|1,0,0]=3 1035 B10R1.13 c1cc(ncc1Cl)C(=N)N PB16514 [0,2,0,0,0,0|2,0,0]=4 1036 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [0,2,0,0,0,0|1,0,0]=3 1037 B10R1.13 c1cc(ncc1F)C(=N)N PB33102 [0,2,0,0,0,0|2,0,0]=4 1038 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [0,2,0,0,0,0|1,0,0]=3 1039 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [0,2,0,0,0,0|1,0,0]=3 1040 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [0,2,0,0,0,0|1,0,0]=3 1041 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [0,2,0,0,0,0|1,0,0]=3 1042 B10R1.13 c1cc(ncc1[N+](=O)[O-])Br PB21612 [0,2,0,0,0,0|2,0,0]=4 1043 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl AB00655 [0,2,0,0,0,0|2,0,0]=4 1044 B10R1.13 c1cc(ncc1[N+](=O)[O-])F AB13439 [0,2,0,0,0,0|2,0,0]=4 1045 B10R1.13 c1cc(nnc1C(=O)O)Cl PB27458 [0,2,0,0,0,0|2,0,0]=4 1046 B10R1.13 c1cc(nnc1C(=O)O)N PB30836 [0,2,0,0,0,0|2,0,0]=4 1047 B10R1.13 c1cc(nnc1C(=O)O)O PB20339 [0,2,0,0,0,0|2,0,0]=4 1048 B10R1.25 CCc1ccc(cc1Br)O MB23966 [0,2,0,0,0,0|1,0,1]=4 1049 B10R1.25 CCc1ccc(cc1C)O MB23913 [0,2,0,0,0,0|1,0,1]=4 1050 B10R1.25 CCc1ccc(cc1Cl)O MB23969 [0,2,0,0,0,0|1,0,1]=4 1051 B10R1.25 CCc1ccc(cc1F)O MB14963 [0,2,0,0,0,0|1,0,1]=4 1052 B10R1.25 CCc1ccc(cc1I)O MB23946 [0,2,0,0,0,0|1,0,1]=4 1053 B10R1.25 CCc1ccc(cc1N)O MB23949 [0,2,0,0,0,0|1,0,1]=4 1054 B10R1.25 CCc1ccc(cc1O)Br MB23992 [0,2,0,0,0,0|1,0,1]=4 1055 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [0,2,0,0,0,0|1,0,1]=4 1056 B10R1.25 CCc1ccc(cc1O)F MB23841 [0,2,0,0,0,0|1,0,1]=4 1057 B10R1.25 CCc1ccc(cc1O)I MB23846 [0,2,0,0,0,0|1,0,1]=4 1058 B10R1.25 CCc1ccc(cc1O)N MB23852 [0,2,0,0,0,0|1,0,1]=4 1059 B10R1.25 CNc1ccc(cc1F)O MB31256 [0,2,0,0,0,0|2,0,0]=4 1060 B10R1.25 CNc1ccc(cc1I)O MB37121 [0,2,0,0,0,0|2,0,0]=4 1061 B10R1.25 CNc1ccc(cc1N)O MB30558 [0,2,0,0,0,0|2,0,0]=4 1062 B10R1.25 CNc1ccc(cc1O)Cl MB25839 [0,2,0,0,0,0|2,0,0]=4 1063 B10R1.25 CNc1ccc(cc1O)N MB33015 [0,2,0,0,0,0|2,0,0]=4 1064 B10R1.25 COc1ccc(cc1Cl)Br AB03565 [0,2,0,0,0,0|2,0,0]=4 1065 B10R1.25 COc1ccc(cc1Cl)O MB13556 [0,2,0,0,0,0|2,0,0]=4 1066 B10R1.25 COc1ccc(cc1F)Br AB01075 [0,2,0,0,0,0|2,0,0]=4 1067 B10R1.25 COc1ccc(cc1I)O MB26647 [0,2,0,0,0,0|2,0,0]=4 1068 B10R1.25 COc1ccc(cc1N)O MB34521 [0,2,0,0,0,0|2,0,0]=4 1069 B10R1.25 COc1ccc(cc1O)Cl MB09234 [0,2,0,0,0,0|2,0,0]=4 1070 B10R1.25 COc1ccc(cc1O)I MB38179 [0,2,0,0,0,0|2,0,0]=4 1071 B10R1.25 CSc1ccc(cc1Br)O MB25524 [0,2,0,0,0,0|2,0,0]=4 1072 B10R1.25 CSc1ccc(cc1Cl)O MB38487 [0,2,0,0,0,0|2,0,0]=4 1073 B10R1.25 CSc1ccc(cc1F)O MB25544 [0,2,0,0,0,0|2,0,0]=4 1074 B10R1.25 CSc1ccc(cc1N)O MB34593 [0,2,0,0,0,0|2,0,0]=4 1075 B10R1.25 CSc1ccc(cc1O)Br MB35434 [0,2,0,0,0,0|2,0,0]=4 1076 B10R1.25 CSc1ccc(cc1O)F MB25440 [0,2,0,0,0,0|2,0,0]=4 1077 B10R1.25 CSc1ccc(cc1O)I MB29501 [0,2,0,0,0,0|2,0,0]=4 1078 B10R1.25 CSc1ccc(cc1O)N MB36502 [0,2,0,0,0,0|2,0,0]=4 1079 B10R1.25 Cc1c(ccc(n1)Br)C=O AB66856 [0,2,0,0,0,0|1,0,0]=3 1080 B10R1.25 Cc1c(ccc(n1)Cl)C=O AB32133 [0,2,0,0,0,0|1,0,0]=3 1081 B10R1.25 Cc1c(ncc(n1)Br)C=O AB85714 [0,2,0,0,0,0|2,0,0]=4 1082 B10R1.25 Cc1c(ncc(n1)Cl)C=O AB85687 [0,2,0,0,0,0|2,0,0]=4 1083 B10R1.25 Cc1cc(c(cn1)C=O)Br AB66855 [0,2,0,0,0,0|1,0,0]=3 1084 B10R1.25 Cc1cc(c(cn1)C=O)Cl AB66849 [0,2,0,0,0,0|1,0,0]=3 1085 B10R1.25 Cc1cc(c(cn1)C=O)F AB75172 [0,2,0,0,0,0|1,0,0]=3 1086 B10R1.25 Cc1cc(c(cn1)C=O)N AB83689 [0,2,0,0,0,0|1,0,0]=3 1087 B10R1.25 Cc1cc(c(cn1)C=O)O AB75249 [0,2,0,0,0,0|1,0,0]=3 1088 B10R1.25 Cc1cc(c(nc1)C=O)C AB53525 [0,2,0,0,0,0|1,0,0]=3 1089 B10R1.25 Cc1cc(c(nc1)C=O)Cl AB75087 [0,2,0,0,0,0|1,0,0]=3 1090 B10R1.25 Cc1cc(c(nc1)C=O)F AB75163 [0,2,0,0,0,0|1,0,0]=3 1091 B10R1.25 Cc1cc(c(nc1)C=O)N AB83746 [0,2,0,0,0,0|1,0,0]=3 1092 B10R1.25 Cc1cc(c(nc1)C=O)O AB75242 [0,2,0,0,0,0|1,0,0]=3 1093 B10R1.25 Cc1cc(ccc1C#N)Cl MB00421 [0,2,0,0,0,0|1,0,1]=4 1094 B10R1.25 Cc1cc(ccc1C#N)O MB23389 [0,2,0,0,0,0|1,0,1]=4 1095 B10R1.25 Cc1cc(ccc1NC)O MB05083 [0,2,0,0,0,0|2,0,0]=4 1096 B10R1.25 Cc1cc(ccc1OC)O MB07842 [0,2,0,0,0,0|2,0,0]=4 1097 B10R1.25 Cc1cc(cnc1C=O)Br AB42359 [0,2,0,0,0,0|1,0,0]=3 1098 B10R1.25 Cc1cc(cnc1C=O)Cl AB75118 [0,2,0,0,0,0|1,0,0]=3 1099 B10R1.25 Cc1cc(cnc1C=O)F AB74798 [0,2,0,0,0,0|1,0,0]=3 1100 B10R1.25 Cc1cc(ncc1C=O)Br AB67814 [0,2,0,0,0,0|1,0,0]=3 1101 B10R1.25 Cc1cc(ncc1C=O)C AB74124 [0,2,0,0,0,0|1,0,0]=3 1102 B10R1.25 Cc1cc(ncc1C=O)Cl AB32140 [0,2,0,0,0,0|1,0,0]=3 1103 B10R1.25 Cc1cc(ncc1C=O)F AB75824 [0,2,0,0,0,0|1,0,0]=3 1104 B10R1.25 Cc1ccc(c(c1)F)NN AB27888 [0,2,0,0,0,0|2,0,0]=4 1105 B10R1.25 Cc1ccc(c(c1)N)C#N AB04357 [0,2,0,0,0,0|1,0,1]=4 1106 B10R1.25 Cc1ccc(c(c1)N)C=O AB58436 [0,2,0,0,0,0|0,0,0]=2 1107 B10R1.25 Cc1ccc(c(c1)O)C#N AB11820 [0,2,0,0,0,0|1,0,1]=4 1108 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [0,2,0,0,0,0|1,0,1]=4 1109 B10R1.25 Cc1ccc(c(c1)O)NC MB33283 [0,2,0,0,0,0|2,0,0]=4 1110 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [0,2,0,0,0,0|2,0,0]=4 1111 B10R1.25 Cc1ccc(c(n1)Br)C=O AB55809 [0,2,0,0,0,0|1,0,0]=3 1112 B10R1.25 Cc1ccc(c(n1)C)C=O AB13970 [0,2,0,0,0,0|1,0,0]=3 1113 B10R1.25 Cc1ccc(c(n1)Cl)C=O AB32135 [0,2,0,0,0,0|1,0,0]=3 1114 B10R1.25 Cc1ccc(c(n1)N)C=O AB27631 [0,2,0,0,0,0|1,0,0]=3 1115 B10R1.25 Cc1ccc(c(n1)O)C=O AB42321 [0,2,0,0,0,0|1,0,0]=3 1116 B10R1.25 Cc1cnc(c(n1)C)C=O AB73104 [0,2,0,0,0,0|2,0,0]=4 1117 B10R1.25 Cc1ncc(c(n1)N)C=O AB53802 [0,2,0,0,0,0|2,0,0]=4 1118 B10R1.25 c1c(c(cnc1Br)C=O)Cl AB67260 [0,2,0,0,0,0|1,0,0]=3 1119 B10R1.25 c1c(c(cnc1Br)C=O)F AB68032 [0,2,0,0,0,0|1,0,0]=3 1120 B10R1.25 c1c(c(cnc1Br)C=O)N AB68108 [0,2,0,0,0,0|1,0,0]=3 1121 B10R1.25 c1c(c(cnc1Br)C=O)O AB72645 [0,2,0,0,0,0|1,0,0]=3 1122 B10R1.25 c1c(c(cnc1Cl)C=O)Br AB67955 [0,2,0,0,0,0|1,0,0]=3 1123 B10R1.25 c1c(c(cnc1Cl)C=O)Cl PB13495 [0,2,0,0,0,0|1,0,0]=3 1124 B10R1.25 c1c(c(cnc1Cl)C=O)F AB68027 [0,2,0,0,0,0|1,0,0]=3 1125 B10R1.25 c1c(c(cnc1Cl)C=O)N AB52769 [0,2,0,0,0,0|1,0,0]=3 1126 B10R1.25 c1c(c(cnc1Cl)C=O)O AB69327 [0,2,0,0,0,0|1,0,0]=3 1127 B10R1.25 c1c(c(cnc1F)C=O)Cl AB75063 [0,2,0,0,0,0|1,0,0]=3 1128 B10R1.25 c1c(c(cnc1N)C=O)Cl AB71947 [0,2,0,0,0,0|1,0,0]=3 1129 B10R1.25 c1c(c(cnc1N)C=O)N AB43397 [0,2,0,0,0,0|1,0,0]=3 1130 B10R1.25 c1c(c(cnc1N)C=O)O AB84438 [0,2,0,0,0,0|1,0,0]=3 1131 B10R1.25 c1c(c(cnc1O)C=O)O AB69704 [0,2,0,0,0,0|1,0,0]=3 1132 B10R1.25 c1c(c(nc(n1)Cl)Cl)C=O PB16366 [0,2,0,0,0,0|2,0,0]=4 1133 B10R1.25 c1c(c(nc(n1)Cl)N)C=O AB76994 [0,2,0,0,0,0|2,0,0]=4 1134 B10R1.25 c1c(c(nc(n1)N)Cl)C=O AB55843 [0,2,0,0,0,0|2,0,0]=4 1135 B10R1.25 c1c(c(nc(n1)N)N)C=O AB21344 [0,2,0,0,0,0|2,0,0]=4 1136 B10R1.25 c1c(cnc(c1Br)C=O)Br AB48580 [0,2,0,0,0,0|1,0,0]=3 1137 B10R1.25 c1c(cnc(c1Cl)C=O)F AB70954 [0,2,0,0,0,0|1,0,0]=3 1138 B10R1.25 c1c(cnc(c1F)C=O)Br PB11091 [0,2,0,0,0,0|1,0,0]=3 1139 B10R1.25 c1c(cnc(c1F)C=O)Cl AB70957 [0,2,0,0,0,0|1,0,0]=3 1140 B10R1.25 c1c(cnc(c1N)C=O)Br AB83734 [0,2,0,0,0,0|1,0,0]=3 1141 B10R1.25 c1c(cnc(c1N)C=O)Cl AB83735 [0,2,0,0,0,0|1,0,0]=3 1142 B10R1.25 c1c(cnc(c1N)C=O)N AB83749 [0,2,0,0,0,0|1,0,0]=3 1143 B10R1.25 c1c(cnc(c1O)C=O)Br AB70969 [0,2,0,0,0,0|1,0,0]=3 1144 B10R1.25 c1c(cnc(c1O)C=O)Cl AB75009 [0,2,0,0,0,0|1,0,0]=3 1145 B10R1.25 c1c(cnc(c1O)C=O)N AB84581 [0,2,0,0,0,0|1,0,0]=3 1146 B10R1.25 c1c(nc(c(n1)C=O)Cl)Cl PB10747 [0,2,0,0,0,0|2,0,0]=4 1147 B10R1.25 c1c(nc(c(n1)C=O)N)Br AB72512 [0,2,0,0,0,0|2,0,0]=4 1148 B10R1.25 c1c(nc(c(n1)C=O)N)Cl AB72515 [0,2,0,0,0,0|2,0,0]=4 1149 B10R1.25 c1cc(c(cc1Br)Br)C#N AB66754 [0,2,0,0,0,0|1,0,1]=4 1150 B10R1.25 c1cc(c(cc1Br)Br)C=O AB66752 [0,2,0,0,0,0|0,0,0]=2 1151 B10R1.25 c1cc(c(cc1Br)F)C#N AB03862 [0,2,0,0,0,0|1,0,1]=4 1152 B10R1.25 c1cc(c(cc1Br)N)C=O AB45657 [0,2,0,0,0,0|0,0,0]=2 1153 B10R1.25 c1cc(c(cc1Br)N)CO AB42495 [0,2,0,0,0,0|0,0,2]=4 1154 B10R1.25 c1cc(c(cc1Br)O)C=O AB23661 [0,2,0,0,0,0|0,0,0]=2 1155 B10R1.25 c1cc(c(cc1Br)O)CN MB08429 [0,2,0,0,0,0|1,0,1]=4 1156 B10R1.25 c1cc(c(cc1Cl)Br)C=O MB06997 [0,2,0,0,0,0|0,0,0]=2 1157 B10R1.25 c1cc(c(cc1Cl)Br)CO MB06939 [0,2,0,0,0,0|0,0,2]=4 1158 B10R1.25 c1cc(c(cc1Cl)N)C=O AB58432 [0,2,0,0,0,0|0,0,0]=2 1159 B10R1.25 c1cc(c(cc1Cl)O)C#N MB01011 [0,2,0,0,0,0|1,0,1]=4 1160 B10R1.25 c1cc(c(cc1Cl)O)C=O AB23660 [0,2,0,0,0,0|0,0,0]=2 1161 B10R1.25 c1cc(c(cc1Cl)O)CN MB26819 [0,2,0,0,0,0|1,0,1]=4 1162 B10R1.25 c1cc(c(cc1F)Br)C#N AB06855 [0,2,0,0,0,0|1,0,1]=4 1163 B10R1.25 c1cc(c(cc1F)Br)C=O AB06851 [0,2,0,0,0,0|0,0,0]=2 1164 B10R1.25 c1cc(c(cc1F)Br)CO AB06857 [0,2,0,0,0,0|0,0,2]=4 1165 B10R1.25 c1cc(c(cc1F)N)C=O AB55874 [0,2,0,0,0,0|0,0,0]=2 1166 B10R1.25 c1cc(c(cc1F)N)CN AB50268 [0,2,0,0,0,0|1,0,1]=4 1167 B10R1.25 c1cc(c(cc1F)O)C#N MB13366 [0,2,0,0,0,0|1,0,1]=4 1168 B10R1.25 c1cc(c(cc1F)O)CN MB14866 [0,2,0,0,0,0|1,0,1]=4 1169 B10R1.25 c1cc(c(cc1I)O)C#N MB11881 [0,2,0,0,0,0|1,0,1]=4 1170 B10R1.25 c1cc(c(cc1I)O)C=O MB06220 [0,2,0,0,0,0|0,0,0]=2 1171 B10R1.25 c1cc(c(cc1I)O)CN MB10252 [0,2,0,0,0,0|1,0,1]=4 1172 B10R1.25 c1cc(c(cc1N)F)C#N AB32067 [0,2,0,0,0,0|1,0,1]=4 1173 B10R1.25 c1cc(c(cc1N)F)CBr AB56061 [0,2,0,0,0,0|1,0,1]=4 1174 B10R1.25 c1cc(c(cc1N)F)CN AB50282 [0,2,0,0,0,0|1,0,1]=4 1175 B10R1.25 c1cc(c(cc1N)O)C#N AB53481 [0,2,0,0,0,0|1,0,1]=4 1176 B10R1.25 c1cc(c(cc1N)O)C=O MB09039 [0,2,0,0,0,0|0,0,0]=2 1177 B10R1.25 c1cc(c(cc1N)O)CN MB10253 [0,2,0,0,0,0|1,0,1]=4 1178 B10R1.25 c1cc(c(cc1O)Br)C#N MB14756 [0,2,0,0,0,0|1,0,1]=4 1179 B10R1.25 c1cc(c(cc1O)Br)C=O MB25584 [0,2,0,0,0,0|0,0,0]=2 1180 B10R1.25 c1cc(c(cc1O)Cl)CN MB02722 [0,2,0,0,0,0|1,0,1]=4 1181 B10R1.25 c1cc(c(cc1O)F)C#N AB04647 [0,2,0,0,0,0|1,0,1]=4 1182 B10R1.25 c1cc(c(cc1O)F)CN MB02723 [0,2,0,0,0,0|1,0,1]=4 1183 B10R1.25 c1cc(c(cc1O)I)C#N MB14759 [0,2,0,0,0,0|1,0,1]=4 1184 B10R1.25 c1cc(c(cc1O)I)C=O MB25658 [0,2,0,0,0,0|0,0,0]=2 1185 B10R1.25 c1cc(c(cc1O)N)C#N MB14762 [0,2,0,0,0,0|1,0,1]=4 1186 B10R1.25 c1cc(c(cc1O)N)C=O MB38477 [0,2,0,0,0,0|0,0,0]=2 1187 B10R1.25 c1cc(c(cc1O)N)CN MB29325 [0,2,0,0,0,0|1,0,1]=4 1188 B10R1.25 c1cc(nc(c1C=O)Br)Br PB20462 [0,2,0,0,0,0|1,0,0]=3 1189 B10R1.25 c1cc(nc(c1C=O)Br)Cl AB64562 [0,2,0,0,0,0|1,0,0]=3 1190 B10R1.25 c1cc(nc(c1C=O)Cl)Cl PB17413 [0,2,0,0,0,0|1,0,0]=3 1191 B10R1.25 c1cc(nc(c1C=O)F)Br AB70853 [0,2,0,0,0,0|1,0,0]=3 1192 B10R1.25 c1cc(nc(c1C=O)N)Br AB69709 [0,2,0,0,0,0|1,0,0]=3 1193 B10R1.25 c1cc(nc(c1C=O)N)Cl AB69707 [0,2,0,0,0,0|1,0,0]=3 1194 B10R1.25 c1cc(nc(c1C=O)N)N AB76145 [0,2,0,0,0,0|1,0,0]=3 1195 B10R1.25 c1cc(nc(c1C=O)O)Br AB84532 [0,2,0,0,0,0|1,0,0]=3 1196 B10R1.25 c1cc(nc(c1C=O)O)Cl AB84535 [0,2,0,0,0,0|1,0,0]=3 1197 B10R1.25 c1cc(nc(c1C=O)O)N AB84539 [0,2,0,0,0,0|1,0,0]=3 1198 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [0,2,0,0,0,0|1,0,1]=4 1199 B10R1.176 CCc1ccc(c(c1)Cl)O MB23911 [0,2,0,0,0,0|1,0,1]=4 1200 B10R1.176 CCc1ccc(c(c1)F)O MB23895 [0,2,0,0,0,0|1,0,1]=4 1201 B10R1.176 CCc1ccc(c(c1)I)O MB23898 [0,2,0,0,0,0|1,0,1]=4 1202 B10R1.176 CCc1ccc(c(c1)N)O MB00456 [0,2,0,0,0,0|1,0,1]=4 1203 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [0,2,0,0,0,0|1,0,1]=4 1204 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [0,2,0,0,0,0|1,0,1]=4 1205 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [0,2,0,0,0,0|1,0,1]=4 1206 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [0,2,0,0,0,0|1,0,1]=4 1207 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [0,2,0,0,0,0|1,0,1]=4 1208 B10R1.176 CNc1ccc(c(c1)Br)O MB30977 [0,2,0,0,0,0|2,0,0]=4 1209 B10R1.176 CNc1ccc(c(c1)Cl)O MB15061 [0,2,0,0,0,0|2,0,0]=4 1210 B10R1.176 CNc1ccc(c(c1)F)O MB33460 [0,2,0,0,0,0|2,0,0]=4 1211 B10R1.176 CNc1ccc(c(c1)I)O MB28237 [0,2,0,0,0,0|2,0,0]=4 1212 B10R1.176 CNc1ccc(c(c1)N)O MB27818 [0,2,0,0,0,0|2,0,0]=4 1213 B10R1.176 CNc1ccc(c(c1)O)Br MB32226 [0,2,0,0,0,0|2,0,0]=4 1214 B10R1.176 CNc1ccc(c(c1)O)Cl MB28131 [0,2,0,0,0,0|2,0,0]=4 1215 B10R1.176 CNc1ccc(c(c1)O)F MB37912 [0,2,0,0,0,0|2,0,0]=4 1216 B10R1.176 CNc1ccc(c(c1)O)I MB26459 [0,2,0,0,0,0|2,0,0]=4 1217 B10R1.176 CNc1ccc(c(c1)O)N MB25952 [0,2,0,0,0,0|2,0,0]=4 1218 B10R1.176 COc1ccc(c(c1)Br)I CB11658 [0,2,0,0,0,0|2,0,0]=4 1219 B10R1.176 COc1ccc(c(c1)Br)N AB49251 [0,2,0,0,0,0|2,0,0]=4 1220 B10R1.176 COc1ccc(c(c1)Br)O AB10935 [0,2,0,0,0,0|2,0,0]=4 1221 B10R1.176 COc1ccc(c(c1)F)N AB09440 [0,2,0,0,0,0|2,0,0]=4 1222 B10R1.176 COc1ccc(c(c1)I)N AB42374 [0,2,0,0,0,0|2,0,0]=4 1223 B10R1.176 COc1ccc(c(c1)I)O MB07821 [0,2,0,0,0,0|2,0,0]=4 1224 B10R1.176 COc1ccc(c(c1)N)I AB45640 [0,2,0,0,0,0|2,0,0]=4 1225 B10R1.176 COc1ccc(c(c1)N)N AB02069 [0,2,0,0,0,0|2,0,0]=4 1226 B10R1.176 COc1ccc(c(c1)N)O AB25358 [0,2,0,0,0,0|2,0,0]=4 1227 B10R1.176 COc1ccc(c(c1)O)Br MB02872 [0,2,0,0,0,0|2,0,0]=4 1228 B10R1.176 COc1ccc(c(c1)O)F MB25573 [0,2,0,0,0,0|2,0,0]=4 1229 B10R1.176 COc1ccc(c(c1)O)I MB12203 [0,2,0,0,0,0|2,0,0]=4 1230 B10R1.176 CSc1ccc(c(c1)Br)O MB09158 [0,2,0,0,0,0|2,0,0]=4 1231 B10R1.176 CSc1ccc(c(c1)Cl)O MB31036 [0,2,0,0,0,0|2,0,0]=4 1232 B10R1.176 CSc1ccc(c(c1)F)O MB25631 [0,2,0,0,0,0|2,0,0]=4 1233 B10R1.176 CSc1ccc(c(c1)I)O MB38361 [0,2,0,0,0,0|2,0,0]=4 1234 B10R1.176 CSc1ccc(c(c1)N)O MB34167 [0,2,0,0,0,0|2,0,0]=4 1235 B10R1.176 CSc1ccc(c(c1)O)Cl MB33637 [0,2,0,0,0,0|2,0,0]=4 1236 B10R1.176 CSc1ccc(c(c1)O)F MB25520 [0,2,0,0,0,0|2,0,0]=4 1237 B10R1.176 CSc1ccc(c(c1)O)I MB38424 [0,2,0,0,0,0|2,0,0]=4 1238 B10R1.176 Cc1c(cc(cn1)C=O)Cl AB74641 [0,2,0,0,0,0|1,0,0]=3 1239 B10R1.176 Cc1c(cc(cn1)C=O)F AB62781 [0,2,0,0,0,0|1,0,0]=3 1240 B10R1.176 Cc1c(ccc(n1)C=O)Br MB09863 [0,2,0,0,0,0|1,0,0]=3 1241 B10R1.176 Cc1c(ccc(n1)C=O)Cl AB70731 [0,2,0,0,0,0|1,0,0]=3 1242 B10R1.176 Cc1c(ccc(n1)C=O)F AB44884 [0,2,0,0,0,0|1,0,0]=3 1243 B10R1.176 Cc1c(nc(cn1)C=O)C AB77048 [0,2,0,0,0,0|2,0,0]=4 1244 B10R1.176 Cc1cc(ccc1Br)C#N AB01529 [0,2,0,0,0,0|1,0,1]=4 1245 B10R1.176 Cc1cc(ccc1Br)C=O AB42951 [0,2,0,0,0,0|0,0,0]=2 1246 B10R1.176 Cc1cc(ccc1Br)CO AB50387 [0,2,0,0,0,0|0,0,2]=4 1247 B10R1.176 Cc1cc(ccc1Br)NN AB12016 [0,2,0,0,0,0|2,0,0]=4 1248 B10R1.176 Cc1cc(ccc1Cl)C=O AB11800 [0,2,0,0,0,0|0,0,0]=2 1249 B10R1.176 Cc1cc(ccc1Cl)NN AB13351 [0,2,0,0,0,0|2,0,0]=4 1250 B10R1.176 Cc1cc(ccc1O)C#N MB10144 [0,2,0,0,0,0|1,0,1]=4 1251 B10R1.176 Cc1cc(ccc1O)CN MB05062 [0,2,0,0,0,0|1,0,1]=4 1252 B10R1.176 Cc1cc(ccc1O)NC MB07546 [0,2,0,0,0,0|2,0,0]=4 1253 B10R1.176 Cc1cc(cnc1Br)C=O AB44906 [0,2,0,0,0,0|1,0,0]=3 1254 B10R1.176 Cc1cc(cnc1C)C=O AB75407 [0,2,0,0,0,0|1,0,0]=3 1255 B10R1.176 Cc1cc(cnc1Cl)C=O AB64236 [0,2,0,0,0,0|1,0,0]=3 1256 B10R1.176 Cc1cc(cnc1F)C=O AB25943 [0,2,0,0,0,0|1,0,0]=3 1257 B10R1.176 Cc1cc(ncc1Br)C=O AB41159 [0,2,0,0,0,0|1,0,0]=3 1258 B10R1.176 Cc1cc(ncc1C)C=O AB74125 [0,2,0,0,0,0|1,0,0]=3 1259 B10R1.176 Cc1cc(ncc1Cl)C=O AB41161 [0,2,0,0,0,0|1,0,0]=3 1260 B10R1.176 Cc1cc(ncc1F)C=O AB75169 [0,2,0,0,0,0|1,0,0]=3 1261 B10R1.176 Cc1ccc(cc1Br)C#N AB29736 [0,2,0,0,0,0|1,0,1]=4 1262 B10R1.176 Cc1ccc(cc1O)C#N MB06106 [0,2,0,0,0,0|1,0,1]=4 1263 B10R1.176 Cc1ccc(cc1O)C=O MB01933 [0,2,0,0,0,0|0,0,0]=2 1264 B10R1.176 Cc1ccc(cc1O)NC MB25401 [0,2,0,0,0,0|2,0,0]=4 1265 B10R1.176 Cc1ccc(cc1O)OC MB11905 [0,2,0,0,0,0|2,0,0]=4 1266 B10R1.176 Cc1ccc(cc1O)SC MB25438 [0,2,0,0,0,0|2,0,0]=4 1267 B10R1.176 Cc1ccc(nc1C)C=O AB74104 [0,2,0,0,0,0|1,0,0]=3 1268 B10R1.176 Cc1ccc(nc1Cl)C=O AB75097 [0,2,0,0,0,0|1,0,0]=3 1269 B10R1.176 Cc1ccc(nc1F)C=O AB72847 [0,2,0,0,0,0|1,0,0]=3 1270 B10R1.176 Cc1cnc(cc1Br)C=O AB70162 [0,2,0,0,0,0|1,0,0]=3 1271 B10R1.176 Cc1cnc(cc1Cl)C=O AB67497 [0,2,0,0,0,0|1,0,0]=3 1272 B10R1.176 Cc1cnc(cc1F)C=O AB82952 [0,2,0,0,0,0|1,0,0]=3 1273 B10R1.176 Cn1ccc(cc1=O)C=O PB35148 [0,2,0,0,0,0|1,0,0]=3 1274 B10R1.176 c1c(cnc(c1Br)Cl)C=O AB64592 [0,2,0,0,0,0|1,0,0]=3 1275 B10R1.176 c1c(cnc(c1Cl)Br)C=O AB70941 [0,2,0,0,0,0|1,0,0]=3 1276 B10R1.176 c1c(cnc(c1Cl)F)C=O AB70931 [0,2,0,0,0,0|1,0,0]=3 1277 B10R1.176 c1c(cnc(c1Cl)N)C=O AB76562 [0,2,0,0,0,0|1,0,0]=3 1278 B10R1.176 c1c(cnc(c1Cl)O)C=O AB20957 [0,2,0,0,0,0|1,0,0]=3 1279 B10R1.176 c1c(cnc(c1F)Br)C=O AB70942 [0,2,0,0,0,0|1,0,0]=3 1280 B10R1.176 c1c(cnc(c1F)Cl)C=O AB67661 [0,2,0,0,0,0|1,0,0]=3 1281 B10R1.176 c1c(cnc(c1F)F)C=O AB70938 [0,2,0,0,0,0|1,0,0]=3 1282 B10R1.176 c1c(cnc(c1N)Cl)C=O AB67746 [0,2,0,0,0,0|1,0,0]=3 1283 B10R1.176 c1c(cnc(c1O)Cl)C=O AB62785 [0,2,0,0,0,0|1,0,0]=3 1284 B10R1.176 c1c(ncc(c1Cl)Br)C=O AB67641 [0,2,0,0,0,0|1,0,0]=3 1285 B10R1.176 c1c(ncc(c1Cl)Cl)C=O AB67602 [0,2,0,0,0,0|1,0,0]=3 1286 B10R1.176 c1c(ncc(c1Cl)F)C=O AB67655 [0,2,0,0,0,0|1,0,0]=3 1287 B10R1.176 c1c(ncc(c1Cl)N)C=O AB67744 [0,2,0,0,0,0|1,0,0]=3 1288 B10R1.176 c1c(ncc(c1Cl)O)C=O AB67780 [0,2,0,0,0,0|1,0,0]=3 1289 B10R1.176 c1c(ncc(c1F)Cl)C=O AB82983 [0,2,0,0,0,0|1,0,0]=3 1290 B10R1.176 c1c(ncc(c1F)F)C=O AB73186 [0,2,0,0,0,0|1,0,0]=3 1291 B10R1.176 c1c(ncc(c1N)Cl)C=O AB83912 [0,2,0,0,0,0|1,0,0]=3 1292 B10R1.176 c1c(ncc(c1O)Cl)C=O AB75002 [0,2,0,0,0,0|1,0,0]=3 1293 B10R1.176 c1cc(c(cc1C#N)F)N AB02282 [0,2,0,0,0,0|1,0,1]=4 1294 B10R1.176 c1cc(c(cc1C#N)I)N AB17464 [0,2,0,0,0,0|1,0,1]=4 1295 B10R1.176 c1cc(c(cc1C#N)I)O MB09222 [0,2,0,0,0,0|1,0,1]=4 1296 B10R1.176 c1cc(c(cc1C#N)O)Br MB25476 [0,2,0,0,0,0|1,0,1]=4 1297 B10R1.176 c1cc(c(cc1C#N)O)Cl MB25577 [0,2,0,0,0,0|1,0,1]=4 1298 B10R1.176 c1cc(c(cc1C#N)O)I MB12046 [0,2,0,0,0,0|1,0,1]=4 1299 B10R1.176 c1cc(c(cc1C#N)O)N MB03898 [0,2,0,0,0,0|1,0,1]=4 1300 B10R1.176 c1cc(c(cc1C=O)Cl)Br AB43050 [0,2,0,0,0,0|0,0,0]=2 1301 B10R1.176 c1cc(c(cc1C=O)I)F AB44172 [0,2,0,0,0,0|0,0,0]=2 1302 B10R1.176 c1cc(c(cc1C=O)I)O MB00259 [0,2,0,0,0,0|0,0,0]=2 1303 B10R1.176 c1cc(c(cc1C=O)N)O MB13575 [0,2,0,0,0,0|0,0,0]=2 1304 B10R1.176 c1cc(c(cc1C=O)O)Br MB09255 [0,2,0,0,0,0|0,0,0]=2 1305 B10R1.176 c1cc(c(cc1C=O)O)Cl MB25536 [0,2,0,0,0,0|0,0,0]=2 1306 B10R1.176 c1cc(c(cc1C=O)O)F MB09319 [0,2,0,0,0,0|0,0,0]=2 1307 B10R1.176 c1cc(c(cc1C=O)O)N MB34962 [0,2,0,0,0,0|0,0,0]=2 1308 B10R1.176 c1cc(c(cc1CBr)I)F AB44169 [0,2,0,0,0,0|1,0,1]=4 1309 B10R1.176 c1cc(c(cc1CN)Br)O MB02719 [0,2,0,0,0,0|1,0,1]=4 1310 B10R1.176 c1cc(c(cc1CN)Cl)O MB03734 [0,2,0,0,0,0|1,0,1]=4 1311 B10R1.176 c1cc(c(cc1CN)F)N AB50278 [0,2,0,0,0,0|1,0,1]=4 1312 B10R1.176 c1cc(c(cc1CN)F)O MB03723 [0,2,0,0,0,0|1,0,1]=4 1313 B10R1.176 c1cc(c(cc1CN)I)O MB27028 [0,2,0,0,0,0|1,0,1]=4 1314 B10R1.176 c1cc(c(cc1CN)N)O MB37291 [0,2,0,0,0,0|1,0,1]=4 1315 B10R1.176 c1cc(c(cc1CN)O)Br MB27292 [0,2,0,0,0,0|1,0,1]=4 1316 B10R1.176 c1cc(c(cc1CN)O)Cl MB25545 [0,2,0,0,0,0|1,0,1]=4 1317 B10R1.176 c1cc(c(cc1CN)O)F MB35973 [0,2,0,0,0,0|1,0,1]=4 1318 B10R1.176 c1cc(c(cc1CN)O)I MB25685 [0,2,0,0,0,0|1,0,1]=4 1319 B10R1.176 c1cc(c(cc1CN)O)N MB29053 [0,2,0,0,0,0|1,0,1]=4 1320 B10R1.176 c1cc(c(cc1CO)F)Br AB44195 [0,2,0,0,0,0|0,0,2]=4 1321 B10R1.176 c1cc(c(cc1NN)F)F AB13306 [0,2,0,0,0,0|2,0,0]=4 1322 B10R1.176 c1cc(c(nc1C=O)Cl)F AB70948 [0,2,0,0,0,0|1,0,0]=3 1323 B10R1.176 c1cc(c(nc1C=O)Cl)N AB75366 [0,2,0,0,0,0|1,0,0]=3 1324 B10R1.176 c1cc(c(nc1C=O)Cl)O AB74848 [0,2,0,0,0,0|1,0,0]=3 1325 B10R1.176 c1cc(c(nc1C=O)F)Cl AB70952 [0,2,0,0,0,0|1,0,0]=3 1326 B10R1.176 c1cc(c(nc1C=O)F)F AB70940 [0,2,0,0,0,0|1,0,0]=3 1327 B10R1.176 c1cc(c(nc1C=O)N)Cl AB83955 [0,2,0,0,0,0|1,0,0]=3 1328 B10R1.176 c1cc(c(nc1C=O)O)Cl AB70962 [0,2,0,0,0,0|1,0,0]=3 1329 B10R1.2 CCc1cccc(c1Br)O MB24080 [0,2,0,0,0,0|1,0,1]=4 1330 B10R1.2 CCc1cccc(c1C)O MB24030 [0,2,0,0,0,0|1,0,1]=4 1331 B10R1.2 CCc1cccc(c1Cl)O MB24081 [0,2,0,0,0,0|1,0,1]=4 1332 B10R1.2 CCc1cccc(c1F)O MB24054 [0,2,0,0,0,0|1,0,1]=4 1333 B10R1.2 CCc1cccc(c1I)O MB24055 [0,2,0,0,0,0|1,0,1]=4 1334 B10R1.2 CCc1cccc(c1N)O MB24059 [0,2,0,0,0,0|1,0,1]=4 1335 B10R1.2 CCc1cccc(c1O)Br MB02008 [0,2,0,0,0,0|1,0,1]=4 1336 B10R1.2 CCc1cccc(c1O)Cl MB02005 [0,2,0,0,0,0|1,0,1]=4 1337 B10R1.2 CCc1cccc(c1O)F MB24014 [0,2,0,0,0,0|1,0,1]=4 1338 B10R1.2 CCc1cccc(c1O)I MB24016 [0,2,0,0,0,0|1,0,1]=4 1339 B10R1.2 CCc1cccc(c1O)N MB24022 [0,2,0,0,0,0|1,0,1]=4 1340 B10R1.2 CNc1cccc(c1Br)O MB28270 [0,2,0,0,0,0|2,0,0]=4 1341 B10R1.2 CNc1cccc(c1Cl)O MB26964 [0,2,0,0,0,0|2,0,0]=4 1342 B10R1.2 CNc1cccc(c1F)O MB34647 [0,2,0,0,0,0|2,0,0]=4 1343 B10R1.2 CNc1cccc(c1I)O MB29498 [0,2,0,0,0,0|2,0,0]=4 1344 B10R1.2 CNc1cccc(c1N)O MB33054 [0,2,0,0,0,0|2,0,0]=4 1345 B10R1.2 CNc1cccc(c1O)Br MB26263 [0,2,0,0,0,0|2,0,0]=4 1346 B10R1.2 CNc1cccc(c1O)Cl MB33654 [0,2,0,0,0,0|2,0,0]=4 1347 B10R1.2 CNc1cccc(c1O)F MB28274 [0,2,0,0,0,0|2,0,0]=4 1348 B10R1.2 CNc1cccc(c1O)I MB32214 [0,2,0,0,0,0|2,0,0]=4 1349 B10R1.2 CNc1cccc(c1O)N MB33525 [0,2,0,0,0,0|2,0,0]=4 1350 B10R1.2 COc1cccc(c1Br)O MB06929 [0,2,0,0,0,0|2,0,0]=4 1351 B10R1.2 COc1cccc(c1Cl)N PB11874 [0,2,0,0,0,0|2,0,0]=4 1352 B10R1.2 COc1cccc(c1Cl)O MB06074 [0,2,0,0,0,0|2,0,0]=4 1353 B10R1.2 COc1cccc(c1F)O MB09318 [0,2,0,0,0,0|2,0,0]=4 1354 B10R1.2 COc1cccc(c1I)O MB14766 [0,2,0,0,0,0|2,0,0]=4 1355 B10R1.2 COc1cccc(c1N)O MB12204 [0,2,0,0,0,0|2,0,0]=4 1356 B10R1.2 COc1cccc(c1O)Br PB18847 [0,2,0,0,0,0|2,0,0]=4 1357 B10R1.2 COc1cccc(c1O)Cl MB25402 [0,2,0,0,0,0|2,0,0]=4 1358 B10R1.2 COc1cccc(c1O)I MB09225 [0,2,0,0,0,0|2,0,0]=4 1359 B10R1.2 COc1cccc(c1O)N MB25613 [0,2,0,0,0,0|2,0,0]=4 1360 B10R1.2 CSc1cccc(c1Br)O MB26789 [0,2,0,0,0,0|2,0,0]=4 1361 B10R1.2 CSc1cccc(c1Cl)O MB33312 [0,2,0,0,0,0|2,0,0]=4 1362 B10R1.2 CSc1cccc(c1F)O MB25404 [0,2,0,0,0,0|2,0,0]=4 1363 B10R1.2 CSc1cccc(c1I)O MB31760 [0,2,0,0,0,0|2,0,0]=4 1364 B10R1.2 CSc1cccc(c1N)O MB32351 [0,2,0,0,0,0|2,0,0]=4 1365 B10R1.2 CSc1cccc(c1O)Cl MB27718 [0,2,0,0,0,0|2,0,0]=4 1366 B10R1.2 CSc1cccc(c1O)F MB25614 [0,2,0,0,0,0|2,0,0]=4 1367 B10R1.2 CSc1cccc(c1O)I MB28360 [0,2,0,0,0,0|2,0,0]=4 1368 B10R1.2 CSc1cccc(c1O)N MB28757 [0,2,0,0,0,0|2,0,0]=4 1369 B10R1.2 Cc1c(c(ccn1)C=O)Cl AB71247 [0,2,0,0,0,0|1,0,0]=3 1370 B10R1.2 Cc1c(c(ccn1)C=O)N AB70908 [0,2,0,0,0,0|1,0,0]=3 1371 B10R1.2 Cc1c(c(ccn1)C=O)O AB24800 [0,2,0,0,0,0|1,0,0]=3 1372 B10R1.2 Cc1c(cccc1Br)C#N CB11199 [0,2,0,0,0,0|1,0,1]=4 1373 B10R1.2 Cc1c(cccc1O)C#N MB02463 [0,2,0,0,0,0|1,0,1]=4 1374 B10R1.2 Cc1c(cccc1O)C=O MB08410 [0,2,0,0,0,0|0,0,0]=2 1375 B10R1.2 Cc1c(cccc1O)NC MB37053 [0,2,0,0,0,0|2,0,0]=4 1376 B10R1.2 Cc1c(cccc1OC)O MB09432 [0,2,0,0,0,0|2,0,0]=4 1377 B10R1.2 Cc1c(cccc1SC)O MB35924 [0,2,0,0,0,0|2,0,0]=4 1378 B10R1.2 Cc1c(ccnc1C=O)Br AB40731 [0,2,0,0,0,0|1,0,0]=3 1379 B10R1.2 Cc1c(ccnc1C=O)Cl AB40720 [0,2,0,0,0,0|1,0,0]=3 1380 B10R1.2 Cc1c(ccnc1C=O)F AB82923 [0,2,0,0,0,0|1,0,0]=3 1381 B10R1.2 Cc1c(ccnc1Cl)C=O AB55074 [0,2,0,0,0,0|1,0,0]=3 1382 B10R1.2 Cc1c(ccnc1F)C=O AB71343 [0,2,0,0,0,0|1,0,0]=3 1383 B10R1.2 Cc1c(cncc1Cl)C=O AB75131 [0,2,0,0,0,0|1,0,0]=3 1384 B10R1.2 Cc1c(nccc1C=O)C AB62887 [0,2,0,0,0,0|1,0,0]=3 1385 B10R1.2 Cc1cccc(c1N)C#N MB08131 [0,2,0,0,0,0|1,0,1]=4 1386 B10R1.2 Cc1cccc(c1N)CN MB08906 [0,2,0,0,0,0|1,0,1]=4 1387 B10R1.2 Cc1cccc(c1N)OC AB02877 [0,2,0,0,0,0|2,0,0]=4 1388 B10R1.2 Cc1cccc(c1O)C#N MB07838 [0,2,0,0,0,0|1,0,1]=4 1389 B10R1.2 Cc1cccc(c1O)CN MB05058 [0,2,0,0,0,0|1,0,1]=4 1390 B10R1.2 Cc1cccc(c1O)NC MB31993 [0,2,0,0,0,0|2,0,0]=4 1391 B10R1.2 Cc1cccc(c1O)SC MB31066 [0,2,0,0,0,0|2,0,0]=4 1392 B10R1.2 Cc1ccnc(c1C)C=O AB66597 [0,2,0,0,0,0|1,0,0]=3 1393 B10R1.2 Cc1ccnc(c1Cl)C=O AB44896 [0,2,0,0,0,0|1,0,0]=3 1394 B10R1.2 Cc1ccnc(c1N)C=O AB83759 [0,2,0,0,0,0|1,0,0]=3 1395 B10R1.2 Cc1ccnc(c1O)C=O AB75246 [0,2,0,0,0,0|1,0,0]=3 1396 B10R1.2 Cc1cncc(c1C)C=O AB76785 [0,2,0,0,0,0|1,0,0]=3 1397 B10R1.2 Cc1cncc(c1Cl)C=O AB67499 [0,2,0,0,0,0|1,0,0]=3 1398 B10R1.2 Cc1cncc(c1F)C=O AB75176 [0,2,0,0,0,0|1,0,0]=3 1399 B10R1.2 Cc1cncc(c1N)C=O AB83665 [0,2,0,0,0,0|1,0,0]=3 1400 B10R1.2 Cc1cncc(c1O)C=O AB75247 [0,2,0,0,0,0|1,0,0]=3 1401 B10R1.2 c1c(c(c(cn1)Br)Cl)C=O AB67643 [0,2,0,0,0,0|1,0,0]=3 1402 B10R1.2 c1c(c(c(cn1)Br)N)C=O AB83649 [0,2,0,0,0,0|1,0,0]=3 1403 B10R1.2 c1c(c(c(cn1)Br)O)C=O AB84418 [0,2,0,0,0,0|1,0,0]=3 1404 B10R1.2 c1c(c(c(cn1)Cl)Cl)C=O AB67605 [0,2,0,0,0,0|1,0,0]=3 1405 B10R1.2 c1c(c(c(cn1)Cl)F)C=O AB82970 [0,2,0,0,0,0|1,0,0]=3 1406 B10R1.2 c1c(c(c(cn1)Cl)N)C=O AB83651 [0,2,0,0,0,0|1,0,0]=3 1407 B10R1.2 c1c(c(c(cn1)Cl)O)C=O AB84026 [0,2,0,0,0,0|1,0,0]=3 1408 B10R1.2 c1c(c(c(cn1)F)Cl)C=O AB67658 [0,2,0,0,0,0|1,0,0]=3 1409 B10R1.2 c1c(c(c(cn1)N)Cl)C=O AB67745 [0,2,0,0,0,0|1,0,0]=3 1410 B10R1.2 c1c(c(c(cn1)N)N)C=O AB83667 [0,2,0,0,0,0|1,0,0]=3 1411 B10R1.2 c1c(c(c(cn1)N)O)C=O AB84419 [0,2,0,0,0,0|1,0,0]=3 1412 B10R1.2 c1c(c(c(cn1)O)Cl)C=O AB67784 [0,2,0,0,0,0|1,0,0]=3 1413 B10R1.2 c1cc(c(c(c1)Br)Cl)C#N CB11304 [0,2,0,0,0,0|1,0,1]=4 1414 B10R1.2 c1cc(c(c(c1)Br)O)C#N PB14860 [0,2,0,0,0,0|1,0,1]=4 1415 B10R1.2 c1cc(c(c(c1)Br)O)C=O AB01203 [0,2,0,0,0,0|0,0,0]=2 1416 B10R1.2 c1cc(c(c(c1)Br)O)CN MB05060 [0,2,0,0,0,0|1,0,1]=4 1417 B10R1.2 c1cc(c(c(c1)Cl)Br)C#N MB08912 [0,2,0,0,0,0|1,0,1]=4 1418 B10R1.2 c1cc(c(c(c1)Cl)Br)C=O MB08895 [0,2,0,0,0,0|0,0,0]=2 1419 B10R1.2 c1cc(c(c(c1)Cl)F)C=O AB09379 [0,2,0,0,0,0|0,0,0]=2 1420 B10R1.2 c1cc(c(c(c1)Cl)I)C#N AB72108 [0,2,0,0,0,0|1,0,1]=4 1421 B10R1.2 c1cc(c(c(c1)Cl)O)C#N MB08412 [0,2,0,0,0,0|1,0,1]=4 1422 B10R1.2 c1cc(c(c(c1)Cl)O)C=O AB21383 [0,2,0,0,0,0|0,0,0]=2 1423 B10R1.2 c1cc(c(c(c1)Cl)O)CN MB34616 [0,2,0,0,0,0|1,0,1]=4 1424 B10R1.2 c1cc(c(c(c1)F)Br)C#N AB32074 [0,2,0,0,0,0|1,0,1]=4 1425 B10R1.2 c1cc(c(c(c1)F)F)CCl AB13673 [0,2,0,0,0,0|1,0,1]=4 1426 B10R1.2 c1cc(c(c(c1)F)O)C#N MB11932 [0,2,0,0,0,0|1,0,1]=4 1427 B10R1.2 c1cc(c(c(c1)F)O)C=O AB00313 [0,2,0,0,0,0|0,0,0]=2 1428 B10R1.2 c1cc(c(c(c1)F)O)CN MB05070 [0,2,0,0,0,0|1,0,1]=4 1429 B10R1.2 c1cc(c(c(c1)I)O)C#N MB14863 [0,2,0,0,0,0|1,0,1]=4 1430 B10R1.2 c1cc(c(c(c1)I)O)C=O MB12368 [0,2,0,0,0,0|0,0,0]=2 1431 B10R1.2 c1cc(c(c(c1)I)O)CN MB29107 [0,2,0,0,0,0|1,0,1]=4 1432 B10R1.2 c1cc(c(c(c1)N)F)C#N AB43380 [0,2,0,0,0,0|1,0,1]=4 1433 B10R1.2 c1cc(c(c(c1)N)F)CN AB65760 [0,2,0,0,0,0|1,0,1]=4 1434 B10R1.2 c1cc(c(c(c1)N)O)C#N MB02411 [0,2,0,0,0,0|1,0,1]=4 1435 B10R1.2 c1cc(c(c(c1)N)O)CN MB34782 [0,2,0,0,0,0|1,0,1]=4 1436 B10R1.2 c1cc(c(c(c1)O)Br)C#N MB07308 [0,2,0,0,0,0|1,0,1]=4 1437 B10R1.2 c1cc(c(c(c1)O)Br)C=O AB03304 [0,2,0,0,0,0|0,0,0]=2 1438 B10R1.2 c1cc(c(c(c1)O)Br)CN MB08516 [0,2,0,0,0,0|1,0,1]=4 1439 B10R1.2 c1cc(c(c(c1)O)Cl)C#N MB10145 [0,2,0,0,0,0|1,0,1]=4 1440 B10R1.2 c1cc(c(c(c1)O)F)C=O AB63446 [0,2,0,0,0,0|0,0,0]=2 1441 B10R1.2 c1cc(c(c(c1)O)F)CN MB25461 [0,2,0,0,0,0|1,0,1]=4 1442 B10R1.2 c1cc(c(c(c1)O)I)C#N MB28827 [0,2,0,0,0,0|1,0,1]=4 1443 B10R1.2 c1cc(c(c(c1)O)I)C=O MB07518 [0,2,0,0,0,0|0,0,0]=2 1444 B10R1.2 c1cc(c(c(c1)O)I)CN MB34403 [0,2,0,0,0,0|1,0,1]=4 1445 B10R1.2 c1cc(c(c(c1)O)N)C#N MB09969 [0,2,0,0,0,0|1,0,1]=4 1446 B10R1.2 c1cc(c(c(c1)O)N)C=O MB38000 [0,2,0,0,0,0|0,0,0]=2 1447 B10R1.2 c1cc(c(c(c1)O)N)CN MB35261 [0,2,0,0,0,0|1,0,1]=4 1448 B10R1.2 c1cnc(c(c1Br)N)C=O AB83752 [0,2,0,0,0,0|1,0,0]=3 1449 B10R1.2 c1cnc(c(c1Br)O)C=O AB84603 [0,2,0,0,0,0|1,0,0]=3 1450 B10R1.2 c1cnc(c(c1C=O)Cl)F AB66309 [0,2,0,0,0,0|1,0,0]=3 1451 B10R1.2 c1cnc(c(c1C=O)Cl)N AB83932 [0,2,0,0,0,0|1,0,0]=3 1452 B10R1.2 c1cnc(c(c1C=O)Cl)O AB70959 [0,2,0,0,0,0|1,0,0]=3 1453 B10R1.2 c1cnc(c(c1C=O)F)Cl AB20966 [0,2,0,0,0,0|1,0,0]=3 1454 B10R1.2 c1cnc(c(c1C=O)N)Br AB71718 [0,2,0,0,0,0|1,0,0]=3 1455 B10R1.2 c1cnc(c(c1C=O)N)Cl AB71714 [0,2,0,0,0,0|1,0,0]=3 1456 B10R1.2 c1cnc(c(c1C=O)N)N AB83595 [0,2,0,0,0,0|1,0,0]=3 1457 B10R1.2 c1cnc(c(c1C=O)O)Br AB69695 [0,2,0,0,0,0|1,0,0]=3 1458 B10R1.2 c1cnc(c(c1C=O)O)Cl AB69323 [0,2,0,0,0,0|1,0,0]=3 1459 B10R1.2 c1cnc(c(c1C=O)O)N AB84363 [0,2,0,0,0,0|1,0,0]=3 1460 B10R1.2 c1cnc(c(c1Cl)F)C=O AB70766 [0,2,0,0,0,0|1,0,0]=3 1461 B10R1.2 c1cnc(c(c1Cl)N)C=O AB83753 [0,2,0,0,0,0|1,0,0]=3 1462 B10R1.2 c1cnc(c(c1Cl)O)C=O AB75013 [0,2,0,0,0,0|1,0,0]=3 1463 B10R1.2 c1cnc(c(c1F)Cl)C=O AB83001 [0,2,0,0,0,0|1,0,0]=3 1464 B10R1.2 c1cnc(c(c1N)Cl)C=O AB83926 [0,2,0,0,0,0|1,0,0]=3 1465 B10R1.2 c1cnc(c(c1N)O)C=O AB84604 [0,2,0,0,0,0|1,0,0]=3 1466 B10R1.2 c1cnc(c(c1O)Cl)C=O AB75006 [0,2,0,0,0,0|1,0,0]=3 1467 B10R1.8 C#Cc1cc(cc(c1)F)F AB17470 [0,2,0,0,0,0|1,0,1]=4 1468 B10R1.8 CCc1cc(cc(c1)Br)O MB23717 [0,2,0,0,0,0|1,0,1]=4 1469 B10R1.8 CCc1cc(cc(c1)Cl)O MB23719 [0,2,0,0,0,0|1,0,1]=4 1470 B10R1.8 CCc1cc(cc(c1)F)O MB23700 [0,2,0,0,0,0|1,0,1]=4 1471 B10R1.8 CCc1cc(cc(c1)I)O MB23702 [0,2,0,0,0,0|1,0,1]=4 1472 B10R1.8 CCc1cc(cc(c1)O)N MB23659 [0,2,0,0,0,0|1,0,1]=4 1473 B10R1.8 CNc1cc(cc(c1)Cl)O MB29202 [0,2,0,0,0,0|2,0,0]=4 1474 B10R1.8 CNc1cc(cc(c1)F)O MB30811 [0,2,0,0,0,0|2,0,0]=4 1475 B10R1.8 CNc1cc(cc(c1)O)N MB33447 [0,2,0,0,0,0|2,0,0]=4 1476 B10R1.8 COc1cc(cc(c1)Br)Cl AB62692 [0,2,0,0,0,0|2,0,0]=4 1477 B10R1.8 COc1cc(cc(c1)Br)N AB65032 [0,2,0,0,0,0|2,0,0]=4 1478 B10R1.8 COc1cc(cc(c1)Br)O AB65533 [0,2,0,0,0,0|2,0,0]=4 1479 B10R1.8 COc1cc(cc(c1)Cl)O MB00121 [0,2,0,0,0,0|2,0,0]=4 1480 B10R1.8 COc1cc(cc(c1)F)O MB10146 [0,2,0,0,0,0|2,0,0]=4 1481 B10R1.8 COc1cc(cc(c1)I)O MB11865 [0,2,0,0,0,0|2,0,0]=4 1482 B10R1.8 COc1cc(cc(c1)O)N MB25612 [0,2,0,0,0,0|2,0,0]=4 1483 B10R1.8 CSc1cc(cc(c1)Br)O MB36767 [0,2,0,0,0,0|2,0,0]=4 1484 B10R1.8 CSc1cc(cc(c1)Cl)O MB28354 [0,2,0,0,0,0|2,0,0]=4 1485 B10R1.8 CSc1cc(cc(c1)F)O MB34115 [0,2,0,0,0,0|2,0,0]=4 1486 B10R1.8 CSc1cc(cc(c1)I)O MB32212 [0,2,0,0,0,0|2,0,0]=4 1487 B10R1.8 CSc1cc(cc(c1)O)N MB38338 [0,2,0,0,0,0|2,0,0]=4 1488 B10R1.8 Cc1cc(cc(c1)Br)C=O AB53369 [0,2,0,0,0,0|0,0,0]=2 1489 B10R1.8 Cc1cc(cc(c1)Br)CCl AB71866 [0,2,0,0,0,0|1,0,1]=4 1490 B10R1.8 Cc1cc(cc(c1)Br)CN AB75545 [0,2,0,0,0,0|1,0,1]=4 1491 B10R1.8 Cc1cc(cc(c1)Br)OC AB43364 [0,2,0,0,0,0|2,0,0]=4 1492 B10R1.8 Cc1cc(cc(c1)C=O)C AB03134 [0,2,0,0,0,0|0,0,0]=2 1493 B10R1.8 Cc1cc(cc(c1)CCl)C AB56154 [0,2,0,0,0,0|1,0,1]=4 1494 B10R1.8 Cc1cc(cc(c1)CN)C AB01824 [0,2,0,0,0,0|1,0,1]=4 1495 B10R1.8 Cc1cc(cc(c1)Cl)C=O AB64288 [0,2,0,0,0,0|0,0,0]=2 1496 B10R1.8 Cc1cc(cc(c1)Cl)CCl AB75575 [0,2,0,0,0,0|1,0,1]=4 1497 B10R1.8 Cc1cc(cc(c1)Cl)CN AB75470 [0,2,0,0,0,0|1,0,1]=4 1498 B10R1.8 Cc1cc(cc(c1)Cl)OC MB05593 [0,2,0,0,0,0|2,0,0]=4 1499 B10R1.8 Cc1cc(cc(c1)F)C=O AB13319 [0,2,0,0,0,0|0,0,0]=2 1500 B10R1.8 Cc1cc(cc(c1)F)CCl AB66782 [0,2,0,0,0,0|1,0,1]=4 1501 B10R1.8 Cc1cc(cc(c1)F)CN AB23427 [0,2,0,0,0,0|1,0,1]=4 1502 B10R1.8 Cc1cc(cc(c1)I)C=O AB75646 [0,2,0,0,0,0|0,0,0]=2 1503 B10R1.8 Cc1cc(cc(c1)I)CCl AB75649 [0,2,0,0,0,0|1,0,1]=4 1504 B10R1.8 Cc1cc(cc(c1)I)CN AB75648 [0,2,0,0,0,0|1,0,1]=4 1505 B10R1.8 Cc1cc(cc(c1)N)CN AB75515 [0,2,0,0,0,0|1,0,1]=4 1506 B10R1.8 Cc1cc(cc(c1)O)C#N MB25636 [0,2,0,0,0,0|1,0,1]=4 1507 B10R1.8 Cc1cc(cc(c1)O)C=O AB71633 [0,2,0,0,0,0|0,0,0]=2 1508 B10R1.8 Cc1cc(cc(c1)O)CN AB71617 [0,2,0,0,0,0|1,0,1]=4 1509 B10R1.8 Cc1cc(cc(c1)O)NC MB25938 [0,2,0,0,0,0|2,0,0]=4 1510 B10R1.8 Cc1cc(cc(c1)SC)O MB37868 [0,2,0,0,0,0|2,0,0]=4 1511 B10R1.8 Cc1cc(cc(n1)Br)C=O AB66852 [0,2,0,0,0,0|1,0,0]=3 1512 B10R1.8 Cc1cc(cc(n1)C)C=O AB24839 [0,2,0,0,0,0|1,0,0]=3 1513 B10R1.8 Cc1cc(cc(n1)C=O)Br AB40795 [0,2,0,0,0,0|1,0,0]=3 1514 B10R1.8 Cc1cc(cc(n1)C=O)Cl AB40806 [0,2,0,0,0,0|1,0,0]=3 1515 B10R1.8 Cc1cc(cc(n1)C=O)F AB75160 [0,2,0,0,0,0|1,0,0]=3 1516 B10R1.8 Cc1cc(cc(n1)C=O)I AB79033 [0,2,0,0,0,0|1,0,0]=3 1517 B10R1.8 Cc1cc(cc(n1)C=O)O AB78936 [0,2,0,0,0,0|1,0,0]=3 1518 B10R1.8 Cc1cc(cc(n1)Cl)C=O AB24805 [0,2,0,0,0,0|1,0,0]=3 1519 B10R1.8 Cc1cc(cc(n1)F)C=O AB70701 [0,2,0,0,0,0|1,0,0]=3 1520 B10R1.8 Cc1cc(cc(n1)I)C=O AB79154 [0,2,0,0,0,0|1,0,0]=3 1521 B10R1.8 Cc1cc(cc(n1)O)C=O AB71363 [0,2,0,0,0,0|1,0,0]=3 1522 B10R1.8 Cc1cc(nc(c1)Br)C=O AB67811 [0,2,0,0,0,0|1,0,0]=3 1523 B10R1.8 Cc1cc(nc(c1)C=O)C AB04218 [0,2,0,0,0,0|1,0,0]=3 1524 B10R1.8 Cc1cc(nc(c1)Cl)C=O AB67809 [0,2,0,0,0,0|1,0,0]=3 1525 B10R1.8 Cc1cc(nc(c1)F)C=O AB75168 [0,2,0,0,0,0|1,0,0]=3 1526 B10R1.8 Cc1cc(nc(c1)I)C=O AB78891 [0,2,0,0,0,0|1,0,0]=3 1527 B10R1.8 Cc1cc(nc(c1)O)C=O AB79065 [0,2,0,0,0,0|1,0,0]=3 1528 B10R1.8 Cc1cc(nc(n1)C)C=O AB58698 [0,2,0,0,0,0|2,0,0]=4 1529 B10R1.8 Cc1cc(nc(n1)N)C=O AB58695 [0,2,0,0,0,0|2,0,0]=4 1530 B10R1.8 Cc1cc(nc(n1)O)C=O AB58710 [0,2,0,0,0,0|2,0,0]=4 1531 B10R1.8 Cc1nc(cc(n1)Cl)C=O AB58880 [0,2,0,0,0,0|2,0,0]=4 1532 B10R1.8 Cc1nc(cc(n1)O)C=O AB58876 [0,2,0,0,0,0|2,0,0]=4 1533 B10R1.8 c1c(cc(cc1Br)Br)C=O AB04160 [0,2,0,0,0,0|0,0,0]=2 1534 B10R1.8 c1c(cc(cc1Br)Br)CCl AB64268 [0,2,0,0,0,0|1,0,1]=4 1535 B10R1.8 c1c(cc(cc1Br)Br)CN AB14081 [0,2,0,0,0,0|1,0,1]=4 1536 B10R1.8 c1c(cc(cc1Br)I)C=O AB42478 [0,2,0,0,0,0|0,0,0]=2 1537 B10R1.8 c1c(cc(cc1Br)I)CCl AB75535 [0,2,0,0,0,0|1,0,1]=4 1538 B10R1.8 c1c(cc(cc1Br)I)CN AB75533 [0,2,0,0,0,0|1,0,1]=4 1539 B10R1.8 c1c(cc(cc1Cl)Br)C#N AB23056 [0,2,0,0,0,0|1,0,1]=4 1540 B10R1.8 c1c(cc(cc1Cl)Br)C=O AB29574 [0,2,0,0,0,0|0,0,0]=2 1541 B10R1.8 c1c(cc(cc1Cl)Br)CN AB65611 [0,2,0,0,0,0|1,0,1]=4 1542 B10R1.8 c1c(cc(cc1Cl)Cl)C=O AB00316 [0,2,0,0,0,0|0,0,0]=2 1543 B10R1.8 c1c(cc(cc1Cl)Cl)CBr MB08756 [0,2,0,0,0,0|1,0,1]=4 1544 B10R1.8 c1c(cc(cc1Cl)Cl)CCl AB02384 [0,2,0,0,0,0|1,0,1]=4 1545 B10R1.8 c1c(cc(cc1Cl)Cl)CN AB02207 [0,2,0,0,0,0|1,0,1]=4 1546 B10R1.8 c1c(cc(cc1Cl)I)C=O AB65246 [0,2,0,0,0,0|0,0,0]=2 1547 B10R1.8 c1c(cc(cc1Cl)I)CCl AB75567 [0,2,0,0,0,0|1,0,1]=4 1548 B10R1.8 c1c(cc(cc1Cl)I)CN AB66525 [0,2,0,0,0,0|1,0,1]=4 1549 B10R1.8 c1c(cc(cc1F)Br)C#N AB17049 [0,2,0,0,0,0|1,0,1]=4 1550 B10R1.8 c1c(cc(cc1F)Br)C=O AB20677 [0,2,0,0,0,0|0,0,0]=2 1551 B10R1.8 c1c(cc(cc1F)Br)CCl AB64454 [0,2,0,0,0,0|1,0,1]=4 1552 B10R1.8 c1c(cc(cc1F)Br)CN AB64453 [0,2,0,0,0,0|1,0,1]=4 1553 B10R1.8 c1c(cc(cc1F)Br)CO AB20678 [0,2,0,0,0,0|0,0,2]=4 1554 B10R1.8 c1c(cc(cc1F)Cl)C=O AB11796 [0,2,0,0,0,0|0,0,0]=2 1555 B10R1.8 c1c(cc(cc1F)Cl)CCl AB63445 [0,2,0,0,0,0|1,0,1]=4 1556 B10R1.8 c1c(cc(cc1F)Cl)CN AB23446 [0,2,0,0,0,0|1,0,1]=4 1557 B10R1.8 c1c(cc(cc1F)F)C=O AB01034 [0,2,0,0,0,0|0,0,0]=2 1558 B10R1.8 c1c(cc(cc1F)F)CCl AB08246 [0,2,0,0,0,0|1,0,1]=4 1559 B10R1.8 c1c(cc(cc1F)F)CN AB02411 [0,2,0,0,0,0|1,0,1]=4 1560 B10R1.8 c1c(cc(cc1F)I)C=O AB42482 [0,2,0,0,0,0|0,0,0]=2 1561 B10R1.8 c1c(cc(cc1F)I)CCl AB75628 [0,2,0,0,0,0|1,0,1]=4 1562 B10R1.8 c1c(cc(cc1F)I)CN AB23372 [0,2,0,0,0,0|1,0,1]=4 1563 B10R1.8 c1c(cc(cc1I)I)C=O AB42481 [0,2,0,0,0,0|0,0,0]=2 1564 B10R1.8 c1c(cc(cc1I)I)CCl AB76608 [0,2,0,0,0,0|1,0,1]=4 1565 B10R1.8 c1c(cc(cc1I)I)CN AB77860 [0,2,0,0,0,0|1,0,1]=4 1566 B10R1.8 c1c(cc(cc1N)Br)CN AB75504 [0,2,0,0,0,0|1,0,1]=4 1567 B10R1.8 c1c(cc(cc1N)Cl)CN AB48602 [0,2,0,0,0,0|1,0,1]=4 1568 B10R1.8 c1c(cc(cc1N)Cl)CO AB63846 [0,2,0,0,0,0|0,0,2]=4 1569 B10R1.8 c1c(cc(cc1N)F)CN AB65614 [0,2,0,0,0,0|1,0,1]=4 1570 B10R1.8 c1c(cc(cc1N)I)CN AB75507 [0,2,0,0,0,0|1,0,1]=4 1571 B10R1.8 c1c(cc(cc1N)N)CN AB77912 [0,2,0,0,0,0|1,0,1]=4 1572 B10R1.8 c1c(cc(cc1N)O)C#N MB37280 [0,2,0,0,0,0|1,0,1]=4 1573 B10R1.8 c1c(cc(cc1N)O)C=O MB35596 [0,2,0,0,0,0|0,0,0]=2 1574 B10R1.8 c1c(cc(cc1N)O)CN AB71618 [0,2,0,0,0,0|1,0,1]=4 1575 B10R1.8 c1c(cc(cc1O)Br)C#N MB14979 [0,2,0,0,0,0|1,0,1]=4 1576 B10R1.8 c1c(cc(cc1O)Br)C=O AB29745 [0,2,0,0,0,0|0,0,0]=2 1577 B10R1.8 c1c(cc(cc1O)Br)CN AB71630 [0,2,0,0,0,0|1,0,1]=4 1578 B10R1.8 c1c(cc(cc1O)Cl)C=O AB43616 [0,2,0,0,0,0|0,0,0]=2 1579 B10R1.8 c1c(cc(cc1O)Cl)CN AB64548 [0,2,0,0,0,0|1,0,1]=4 1580 B10R1.8 c1c(cc(cc1O)Cl)CO AB43614 [0,2,0,0,0,0|0,0,2]=4 1581 B10R1.8 c1c(cc(cc1O)F)C=O AB66765 [0,2,0,0,0,0|0,0,0]=2 1582 B10R1.8 c1c(cc(cc1O)F)CN AB70799 [0,2,0,0,0,0|1,0,1]=4 1583 B10R1.8 c1c(cc(cc1O)I)C=O AB71641 [0,2,0,0,0,0|0,0,0]=2 1584 B10R1.8 c1c(cc(cc1O)I)CN AB71624 [0,2,0,0,0,0|1,0,1]=4 1585 B10R1.8 c1c(cc(cc1O)O)C=O AB01206 [0,2,0,0,0,0|0,0,0]=2 1586 B10R1.8 c1c(cc(cc1O)O)CN AB14084 [0,2,0,0,0,0|1,0,1]=4 1587 B10R1.8 c1c(cc(nc1Br)Br)C=O AB24810 [0,2,0,0,0,0|1,0,0]=3 1588 B10R1.8 c1c(cc(nc1Br)I)C=O AB79139 [0,2,0,0,0,0|1,0,0]=3 1589 B10R1.8 c1c(cc(nc1C=O)Br)Br AB68241 [0,2,0,0,0,0|1,0,0]=3 1590 B10R1.8 c1c(cc(nc1C=O)Br)Cl AB67258 [0,2,0,0,0,0|1,0,0]=3 1591 B10R1.8 c1c(cc(nc1C=O)Br)F AB68031 [0,2,0,0,0,0|1,0,0]=3 1592 B10R1.8 c1c(cc(nc1C=O)Br)I AB78872 [0,2,0,0,0,0|1,0,0]=3 1593 B10R1.8 c1c(cc(nc1C=O)Br)N AB68107 [0,2,0,0,0,0|1,0,0]=3 1594 B10R1.8 c1c(cc(nc1C=O)Br)O AB78887 [0,2,0,0,0,0|1,0,0]=3 1595 B10R1.8 c1c(cc(nc1C=O)Cl)Br AB67308 [0,2,0,0,0,0|1,0,0]=3 1596 B10R1.8 c1c(cc(nc1C=O)Cl)Cl AB62517 [0,2,0,0,0,0|1,0,0]=3 1597 B10R1.8 c1c(cc(nc1C=O)Cl)F AB68025 [0,2,0,0,0,0|1,0,0]=3 1598 B10R1.8 c1c(cc(nc1C=O)Cl)I AB78865 [0,2,0,0,0,0|1,0,0]=3 1599 B10R1.8 c1c(cc(nc1C=O)Cl)N AB68105 [0,2,0,0,0,0|1,0,0]=3 1600 B10R1.8 c1c(cc(nc1C=O)Cl)O AB74846 [0,2,0,0,0,0|1,0,0]=3 1601 B10R1.8 c1c(cc(nc1C=O)F)Br AB72838 [0,2,0,0,0,0|1,0,0]=3 1602 B10R1.8 c1c(cc(nc1C=O)F)Cl AB78846 [0,2,0,0,0,0|1,0,0]=3 1603 B10R1.8 c1c(cc(nc1C=O)F)F AB78843 [0,2,0,0,0,0|1,0,0]=3 1604 B10R1.8 c1c(cc(nc1C=O)F)I AB78848 [0,2,0,0,0,0|1,0,0]=3 1605 B10R1.8 c1c(cc(nc1C=O)F)O AB78862 [0,2,0,0,0,0|1,0,0]=3 1606 B10R1.8 c1c(cc(nc1C=O)I)Br AB79019 [0,2,0,0,0,0|1,0,0]=3 1607 B10R1.8 c1c(cc(nc1C=O)I)Cl AB79008 [0,2,0,0,0,0|1,0,0]=3 1608 B10R1.8 c1c(cc(nc1C=O)I)F AB78986 [0,2,0,0,0,0|1,0,0]=3 1609 B10R1.8 c1c(cc(nc1C=O)I)O AB78911 [0,2,0,0,0,0|1,0,0]=3 1610 B10R1.8 c1c(cc(nc1C=O)O)Br AB79027 [0,2,0,0,0,0|1,0,0]=3 1611 B10R1.8 c1c(cc(nc1C=O)O)Cl AB79017 [0,2,0,0,0,0|1,0,0]=3 1612 B10R1.8 c1c(cc(nc1C=O)O)F AB79005 [0,2,0,0,0,0|1,0,0]=3 1613 B10R1.8 c1c(cc(nc1C=O)O)I AB79041 [0,2,0,0,0,0|1,0,0]=3 1614 B10R1.8 c1c(cc(nc1C=O)O)O AB78985 [0,2,0,0,0,0|1,0,0]=3 1615 B10R1.8 c1c(cc(nc1Cl)Br)C=O AB67259 [0,2,0,0,0,0|1,0,0]=3 1616 B10R1.8 c1c(cc(nc1Cl)Cl)C=O AB03506 [0,2,0,0,0,0|1,0,0]=3 1617 B10R1.8 c1c(cc(nc1Cl)I)C=O AB79128 [0,2,0,0,0,0|1,0,0]=3 1618 B10R1.8 c1c(cc(nc1F)Br)C=O AB70772 [0,2,0,0,0,0|1,0,0]=3 1619 B10R1.8 c1c(cc(nc1F)Cl)C=O AB70951 [0,2,0,0,0,0|1,0,0]=3 1620 B10R1.8 c1c(cc(nc1O)Br)C=O AB79149 [0,2,0,0,0,0|1,0,0]=3 1621 B10R1.8 c1c(cc(nc1O)Cl)C=O AB70932 [0,2,0,0,0,0|1,0,0]=3 1622 B10R1.8 c1c(cc(nc1O)F)C=O AB71295 [0,2,0,0,0,0|1,0,0]=3 1623 B10R1.8 c1c(cc(nc1O)I)C=O AB79167 [0,2,0,0,0,0|1,0,0]=3 1624 B10R1.8 c1c(cc(nc1O)O)C=O AB79223 [0,2,0,0,0,0|1,0,0]=3 1625 B10R1.8 c1c(nc(nc1Cl)Cl)C=O AB58699 [0,2,0,0,0,0|2,0,0]=4 1626 B10R1.10 C#CCc1cccc(c1)Br AB61399 [0,2,0,0,0,0|1,0,1]=4 1627 B10R1.10 C#CCc1cccc(c1)Cl AB61396 [0,2,0,0,0,0|1,0,1]=4 1628 B10R1.10 C#CCc1cccc(c1)I AB73228 [0,2,0,0,0,0|1,0,1]=4 1629 B10R1.10 Cc1cc(ccn1)N=C=O AB74181 [0,2,0,0,0,0|1,0,1]=4 1630 B10R1.10 Cc1cc(ccn1)\C=N\O AB72010 [0,2,0,0,0,0|1,0,1]=4 1631 B10R1.10 Cc1cc(cnc1)N=C=O AB74220 [0,2,0,0,0,0|1,0,1]=4 1632 B10R1.10 Cc1cccc(c1)CC=O AB11815 [0,2,0,0,0,0|0,0,0]=2 1633 B10R1.10 c1c(cncc1Br)N=C=O AB54472 [0,2,0,0,0,0|1,0,1]=4 1634 B10R1.10 c1c(cncc1Cl)N=C=O AB74216 [0,2,0,0,0,0|1,0,1]=4 1635 B10R1.10 c1c(cncc1F)N=C=O AB74221 [0,2,0,0,0,0|1,0,1]=4 1636 B10R1.10 c1cc(cc(c1)Br)CC#N AB00173 [0,2,0,0,0,0|1,0,1]=4 1637 B10R1.10 c1cc(cc(c1)Br)CC=O AB11787 [0,2,0,0,0,0|0,0,0]=2 1638 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [0,2,0,0,0,0|1,0,1]=4 1639 B10R1.10 c1cc(cc(c1)Br)CNN PB10474 [0,2,0,0,0,0|1,0,1]=4 1640 B10R1.10 c1cc(cc(c1)Br)\C=C\Br AB73510 [0,2,0,0,0,0|1,0,0]=3 1641 B10R1.10 c1cc(cc(c1)Br)\C=N\O AB03839 [0,2,0,0,0,0|0,0,1]=3 1642 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [0,2,0,0,0,0|0,0,0]=2 1643 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [0,2,0,0,0,0|1,0,1]=4 1644 B10R1.10 c1cc(cc(c1)Cl)CNN PB23504 [0,2,0,0,0,0|1,0,1]=4 1645 B10R1.10 c1cc(cc(c1)F)CC=O AB11802 [0,2,0,0,0,0|0,0,0]=2 1646 B10R1.10 c1cc(cc(c1)F)CNN PB22082 [0,2,0,0,0,0|1,0,1]=4 1647 B10R1.10 c1cc(cc(c1)N)CC#N AB13852 [0,2,0,0,0,0|1,0,1]=4 1648 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [0,2,0,0,0,0|1,0,1]=4 1649 B10R1.10 c1cc(cc(c1)O)CC#N AB13855 [0,2,0,0,0,0|1,0,1]=4 1650 B10R1.10 c1cnc(cc1N=C=O)Br AB74176 [0,2,0,0,0,0|1,0,1]=4 1651 B10R1.10 c1cnc(cc1N=C=O)Cl AB74173 [0,2,0,0,0,0|1,0,1]=4 1652 B10R1.10 c1cnc(cc1N=C=O)F AB74172 [0,2,0,0,0,0|1,0,1]=4 1653 B10R1.30 CCc1cc(ccc1Br)O MB23770 [0,2,0,0,0,0|1,0,1]=4 1654 B10R1.30 CCc1cc(ccc1C)O MB23722 [0,2,0,0,0,0|1,0,1]=4 1655 B10R1.30 CCc1cc(ccc1F)O MB23754 [0,2,0,0,0,0|1,0,1]=4 1656 B10R1.30 CCc1cc(ccc1I)O MB09270 [0,2,0,0,0,0|1,0,1]=4 1657 B10R1.30 CCc1cc(ccc1N)O MB23757 [0,2,0,0,0,0|1,0,1]=4 1658 B10R1.30 CCc1cc(ccc1O)Br MB00480 [0,2,0,0,0,0|1,0,1]=4 1659 B10R1.30 CCc1cc(ccc1O)C MB23622 [0,2,0,0,0,0|1,0,1]=4 1660 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [0,2,0,0,0,0|1,0,1]=4 1661 B10R1.30 CCc1cc(ccc1O)I MB23657 [0,2,0,0,0,0|1,0,1]=4 1662 B10R1.30 CCc1cc(ccc1O)N MB23663 [0,2,0,0,0,0|1,0,1]=4 1663 B10R1.30 CNc1cc(ccc1Cl)O MB30361 [0,2,0,0,0,0|2,0,0]=4 1664 B10R1.30 CNc1cc(ccc1F)O MB28645 [0,2,0,0,0,0|2,0,0]=4 1665 B10R1.30 CNc1cc(ccc1I)O MB33108 [0,2,0,0,0,0|2,0,0]=4 1666 B10R1.30 CNc1cc(ccc1N)O MB33092 [0,2,0,0,0,0|2,0,0]=4 1667 B10R1.30 CNc1cc(ccc1O)Br MB32072 [0,2,0,0,0,0|2,0,0]=4 1668 B10R1.30 CNc1cc(ccc1O)F MB26737 [0,2,0,0,0,0|2,0,0]=4 1669 B10R1.30 CNc1cc(ccc1O)I MB35760 [0,2,0,0,0,0|2,0,0]=4 1670 B10R1.30 CNc1cc(ccc1O)N MB28647 [0,2,0,0,0,0|2,0,0]=4 1671 B10R1.30 COc1cc(ccc1Br)O MB00359 [0,2,0,0,0,0|2,0,0]=4 1672 B10R1.30 COc1cc(ccc1Cl)O MB25434 [0,2,0,0,0,0|2,0,0]=4 1673 B10R1.30 COc1cc(ccc1F)O MB08744 [0,2,0,0,0,0|2,0,0]=4 1674 B10R1.30 COc1cc(ccc1I)Br CB11560 [0,2,0,0,0,0|2,0,0]=4 1675 B10R1.30 COc1cc(ccc1I)O MB29625 [0,2,0,0,0,0|2,0,0]=4 1676 B10R1.30 COc1cc(ccc1N)F MB00562 [0,2,0,0,0,0|2,0,0]=4 1677 B10R1.30 COc1cc(ccc1N)O MB01122 [0,2,0,0,0,0|2,0,0]=4 1678 B10R1.30 COc1cc(ccc1O)Br PB30583 [0,2,0,0,0,0|2,0,0]=4 1679 B10R1.30 COc1cc(ccc1O)I MB05217 [0,2,0,0,0,0|2,0,0]=4 1680 B10R1.30 CSc1cc(ccc1Br)O MB38334 [0,2,0,0,0,0|2,0,0]=4 1681 B10R1.30 CSc1cc(ccc1Cl)O MB38239 [0,2,0,0,0,0|2,0,0]=4 1682 B10R1.30 CSc1cc(ccc1F)O MB25679 [0,2,0,0,0,0|2,0,0]=4 1683 B10R1.30 CSc1cc(ccc1I)O MB30001 [0,2,0,0,0,0|2,0,0]=4 1684 B10R1.30 CSc1cc(ccc1N)O MB25516 [0,2,0,0,0,0|2,0,0]=4 1685 B10R1.30 CSc1cc(ccc1O)Br MB28713 [0,2,0,0,0,0|2,0,0]=4 1686 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [0,2,0,0,0,0|2,0,0]=4 1687 B10R1.30 CSc1cc(ccc1O)F MB35476 [0,2,0,0,0,0|2,0,0]=4 1688 B10R1.30 CSc1cc(ccc1O)N MB29519 [0,2,0,0,0,0|2,0,0]=4 1689 B10R1.30 Cc1c(cc(cn1)Cl)C=O AB62434 [0,2,0,0,0,0|1,0,0]=3 1690 B10R1.30 Cc1cc(c(cn1)Br)C=O AB68164 [0,2,0,0,0,0|1,0,0]=3 1691 B10R1.30 Cc1cc(c(cn1)C)C=O AB74126 [0,2,0,0,0,0|1,0,0]=3 1692 B10R1.30 Cc1cc(c(cn1)Cl)C=O AB68146 [0,2,0,0,0,0|1,0,0]=3 1693 B10R1.30 Cc1cc(c(cn1)N)C=O AB83642 [0,2,0,0,0,0|1,0,0]=3 1694 B10R1.30 Cc1cc(c(cn1)O)C=O AB76792 [0,2,0,0,0,0|1,0,0]=3 1695 B10R1.30 Cc1cc(c(nc1)Br)C=O AB71097 [0,2,0,0,0,0|1,0,0]=3 1696 B10R1.30 Cc1cc(c(nc1)C)C=O AB71657 [0,2,0,0,0,0|1,0,0]=3 1697 B10R1.30 Cc1cc(c(nc1)Cl)C=O AB41813 [0,2,0,0,0,0|1,0,0]=3 1698 B10R1.30 Cc1cc(c(nc1)F)C=O AB65261 [0,2,0,0,0,0|1,0,0]=3 1699 B10R1.30 Cc1cc(c(nc1)N)C=O AB51533 [0,2,0,0,0,0|1,0,0]=3 1700 B10R1.30 Cc1cc(c(nc1)O)C=O AB71365 [0,2,0,0,0,0|1,0,0]=3 1701 B10R1.30 Cc1ccc(c(c1)C#N)O MB36141 [0,2,0,0,0,0|1,0,1]=4 1702 B10R1.30 Cc1ccc(c(c1)C=O)N AB58438 [0,2,0,0,0,0|0,0,0]=2 1703 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [0,2,0,0,0,0|2,0,0]=4 1704 B10R1.30 Cc1ccc(c(n1)C=O)Br AB68163 [0,2,0,0,0,0|1,0,0]=3 1705 B10R1.30 Cc1ccc(c(n1)C=O)Cl AB68143 [0,2,0,0,0,0|1,0,0]=3 1706 B10R1.30 Cc1ccc(c(n1)C=O)N AB76244 [0,2,0,0,0,0|1,0,0]=3 1707 B10R1.30 Cc1ccc(c(n1)C=O)O AB62933 [0,2,0,0,0,0|1,0,0]=3 1708 B10R1.30 Cc1ccc(cc1C#N)O MB23451 [0,2,0,0,0,0|1,0,1]=4 1709 B10R1.30 Cc1ccc(cc1C=O)Cl AB63586 [0,2,0,0,0,0|0,0,0]=2 1710 B10R1.30 Cc1ccc(cc1C=O)O MB23457 [0,2,0,0,0,0|0,0,0]=2 1711 B10R1.30 Cc1ccc(cc1CBr)Cl CB11653 [0,2,0,0,0,0|1,0,1]=4 1712 B10R1.30 Cc1ccc(cc1CN)O MB26411 [0,2,0,0,0,0|1,0,1]=4 1713 B10R1.30 Cc1ccc(cc1NC)O MB36159 [0,2,0,0,0,0|2,0,0]=4 1714 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [0,2,0,0,0,0|2,0,0]=4 1715 B10R1.30 Cc1ccc(cc1OC)O MB25418 [0,2,0,0,0,0|2,0,0]=4 1716 B10R1.30 Cc1ccc(nc1C=O)C AB75403 [0,2,0,0,0,0|1,0,0]=3 1717 B10R1.30 Cc1ccc(nc1C=O)Cl AB75110 [0,2,0,0,0,0|1,0,0]=3 1718 B10R1.30 Cc1ccc(nc1C=O)F AB75170 [0,2,0,0,0,0|1,0,0]=3 1719 B10R1.30 Cc1cnc(c(n1)C=O)C AB77040 [0,2,0,0,0,0|2,0,0]=4 1720 B10R1.30 Cc1cnc(cc1C=O)Cl AB67498 [0,2,0,0,0,0|1,0,0]=3 1721 B10R1.30 Cc1cnc(cc1C=O)F AB71344 [0,2,0,0,0,0|1,0,0]=3 1722 B10R1.30 c1c(c(cnc1Br)Br)C=O AB56403 [0,2,0,0,0,0|1,0,0]=3 1723 B10R1.30 c1c(c(cnc1Br)Cl)C=O AB54689 [0,2,0,0,0,0|1,0,0]=3 1724 B10R1.30 c1c(c(cnc1Br)F)C=O AB52575 [0,2,0,0,0,0|1,0,0]=3 1725 B10R1.30 c1c(c(cnc1Br)N)C=O AB76683 [0,2,0,0,0,0|1,0,0]=3 1726 B10R1.30 c1c(c(cnc1Br)O)C=O AB69284 [0,2,0,0,0,0|1,0,0]=3 1727 B10R1.30 c1c(c(cnc1Cl)Br)C=O PB13444 [0,2,0,0,0,0|1,0,0]=3 1728 B10R1.30 c1c(c(cnc1Cl)Cl)C=O AB24822 [0,2,0,0,0,0|1,0,0]=3 1729 B10R1.30 c1c(c(cnc1Cl)F)C=O AB20993 [0,2,0,0,0,0|1,0,0]=3 1730 B10R1.30 c1c(c(cnc1Cl)N)C=O AB64790 [0,2,0,0,0,0|1,0,0]=3 1731 B10R1.30 c1c(c(cnc1Cl)O)C=O AB67782 [0,2,0,0,0,0|1,0,0]=3 1732 B10R1.30 c1c(c(cnc1N)Br)C=O AB66638 [0,2,0,0,0,0|1,0,0]=3 1733 B10R1.30 c1c(c(cnc1N)Cl)C=O AB72352 [0,2,0,0,0,0|1,0,0]=3 1734 B10R1.30 c1c(c(cnc1N)F)C=O AB72351 [0,2,0,0,0,0|1,0,0]=3 1735 B10R1.30 c1c(c(cnc1N)N)C=O AB76707 [0,2,0,0,0,0|1,0,0]=3 1736 B10R1.30 c1c(c(cnc1N)O)C=O AB84402 [0,2,0,0,0,0|1,0,0]=3 1737 B10R1.30 c1c(cnc(c1C=O)Br)F AB70943 [0,2,0,0,0,0|1,0,0]=3 1738 B10R1.30 c1c(cnc(c1C=O)Cl)Br PB20287 [0,2,0,0,0,0|1,0,0]=3 1739 B10R1.30 c1c(cnc(c1C=O)Cl)F AB13605 [0,2,0,0,0,0|1,0,0]=3 1740 B10R1.30 c1c(cnc(c1C=O)F)Br PB29718 [0,2,0,0,0,0|1,0,0]=3 1741 B10R1.30 c1c(cnc(c1C=O)F)Cl AB20969 [0,2,0,0,0,0|1,0,0]=3 1742 B10R1.30 c1c(cnc(c1C=O)N)Br AB50973 [0,2,0,0,0,0|1,0,0]=3 1743 B10R1.30 c1c(cnc(c1C=O)N)Cl AB58421 [0,2,0,0,0,0|1,0,0]=3 1744 B10R1.30 c1c(cnc(c1C=O)N)F AB70294 [0,2,0,0,0,0|1,0,0]=3 1745 B10R1.30 c1c(cnc(c1C=O)O)Br AB70946 [0,2,0,0,0,0|1,0,0]=3 1746 B10R1.30 c1c(cnc(c1C=O)O)Cl AB70935 [0,2,0,0,0,0|1,0,0]=3 1747 B10R1.30 c1c(cnc(c1C=O)O)N AB84511 [0,2,0,0,0,0|1,0,0]=3 1748 B10R1.30 c1c(nc(c(n1)Cl)C=O)Cl AB85727 [0,2,0,0,0,0|2,0,0]=4 1749 B10R1.30 c1c(nc(c(n1)N)C=O)Br AB69711 [0,2,0,0,0,0|2,0,0]=4 1750 B10R1.30 c1c(nc(c(n1)N)C=O)Cl AB60422 [0,2,0,0,0,0|2,0,0]=4 1751 B10R1.30 c1cc(c(cc1Br)C#N)N MB00791 [0,2,0,0,0,0|1,0,1]=4 1752 B10R1.30 c1cc(c(cc1Br)C=O)Br MB01225 [0,2,0,0,0,0|0,0,0]=2 1753 B10R1.30 c1cc(c(cc1Br)C=O)N AB58429 [0,2,0,0,0,0|0,0,0]=2 1754 B10R1.30 c1cc(c(cc1Br)CN)N AB23393 [0,2,0,0,0,0|1,0,1]=4 1755 B10R1.30 c1cc(c(cc1Br)CN)O AB10938 [0,2,0,0,0,0|1,0,1]=4 1756 B10R1.30 c1cc(c(cc1Br)CO)Cl MB02484 [0,2,0,0,0,0|0,0,2]=4 1757 B10R1.30 c1cc(c(cc1Br)CO)N MB05459 [0,2,0,0,0,0|0,0,2]=4 1758 B10R1.30 c1cc(c(cc1Br)NN)F AB13329 [0,2,0,0,0,0|2,0,0]=4 1759 B10R1.30 c1cc(c(cc1Cl)C#N)Br AB45293 [0,2,0,0,0,0|1,0,1]=4 1760 B10R1.30 c1cc(c(cc1Cl)C=O)O AB00314 [0,2,0,0,0,0|0,0,0]=2 1761 B10R1.30 c1cc(c(cc1Cl)CN)N AB23303 [0,2,0,0,0,0|1,0,1]=4 1762 B10R1.30 c1cc(c(cc1Cl)CN)O AB23336 [0,2,0,0,0,0|1,0,1]=4 1763 B10R1.30 c1cc(c(cc1Cl)CO)N MB00550 [0,2,0,0,0,0|0,0,2]=4 1764 B10R1.30 c1cc(c(cc1F)C#N)O MB10100 [0,2,0,0,0,0|1,0,1]=4 1765 B10R1.30 c1cc(c(cc1F)C=O)Br AB03821 [0,2,0,0,0,0|0,0,0]=2 1766 B10R1.30 c1cc(c(cc1F)C=O)N AB58443 [0,2,0,0,0,0|0,0,0]=2 1767 B10R1.30 c1cc(c(cc1F)CN)N AB23426 [0,2,0,0,0,0|1,0,1]=4 1768 B10R1.30 c1cc(c(cc1F)CN)O MB12059 [0,2,0,0,0,0|1,0,1]=4 1769 B10R1.30 c1cc(c(cc1F)CO)N MB05463 [0,2,0,0,0,0|0,0,2]=4 1770 B10R1.30 c1cc(c(cc1I)C#N)O MB02487 [0,2,0,0,0,0|1,0,1]=4 1771 B10R1.30 c1cc(c(cc1I)CBr)Cl AB43862 [0,2,0,0,0,0|1,0,1]=4 1772 B10R1.30 c1cc(c(cc1I)CN)Cl AB44524 [0,2,0,0,0,0|1,0,1]=4 1773 B10R1.30 c1cc(c(cc1I)CN)O MB08421 [0,2,0,0,0,0|1,0,1]=4 1774 B10R1.30 c1cc(c(cc1N)C#N)Cl AB07265 [0,2,0,0,0,0|1,0,1]=4 1775 B10R1.30 c1cc(c(cc1N)C#N)O MB01949 [0,2,0,0,0,0|1,0,1]=4 1776 B10R1.30 c1cc(c(cc1N)C=O)O MB01352 [0,2,0,0,0,0|0,0,0]=2 1777 B10R1.30 c1cc(c(cc1N)CN)F AB23413 [0,2,0,0,0,0|1,0,1]=4 1778 B10R1.30 c1cc(c(cc1N)CN)O MB10073 [0,2,0,0,0,0|1,0,1]=4 1779 B10R1.30 c1cc(c(cc1O)C#N)Br MB05213 [0,2,0,0,0,0|1,0,1]=4 1780 B10R1.30 c1cc(c(cc1O)C#N)Cl MB07522 [0,2,0,0,0,0|1,0,1]=4 1781 B10R1.30 c1cc(c(cc1O)C#N)I MB27967 [0,2,0,0,0,0|1,0,1]=4 1782 B10R1.30 c1cc(c(cc1O)C#N)N MB03902 [0,2,0,0,0,0|1,0,1]=4 1783 B10R1.30 c1cc(c(cc1O)C=O)Br AB13035 [0,2,0,0,0,0|0,0,0]=2 1784 B10R1.30 c1cc(c(cc1O)C=O)Cl MB05036 [0,2,0,0,0,0|0,0,0]=2 1785 B10R1.30 c1cc(c(cc1O)C=O)F MB06891 [0,2,0,0,0,0|0,0,0]=2 1786 B10R1.30 c1cc(c(cc1O)C=O)N MB29975 [0,2,0,0,0,0|0,0,0]=2 1787 B10R1.30 c1cc(c(cc1O)CN)Br MB08427 [0,2,0,0,0,0|1,0,1]=4 1788 B10R1.30 c1cc(c(cc1O)CN)Cl MB37155 [0,2,0,0,0,0|1,0,1]=4 1789 B10R1.30 c1cc(c(cc1O)CN)F MB12208 [0,2,0,0,0,0|1,0,1]=4 1790 B10R1.30 c1cc(c(cc1O)CN)I MB36844 [0,2,0,0,0,0|1,0,1]=4 1791 B10R1.30 c1cc(nc(c1Br)C=O)Cl AB68225 [0,2,0,0,0,0|1,0,0]=3 1792 B10R1.30 c1cc(nc(c1Cl)C=O)Br AB68236 [0,2,0,0,0,0|1,0,0]=3 1793 B10R1.30 c1cc(nc(c1Cl)C=O)Cl AB66502 [0,2,0,0,0,0|1,0,0]=3 1794 B10R1.30 c1cc(nc(c1F)C=O)Br PB23527 [0,2,0,0,0,0|1,0,0]=3 1795 B10R1.30 c1cc(nc(c1F)C=O)Cl AB20968 [0,2,0,0,0,0|1,0,0]=3 1796 B10R1.30 c1cc(nc(c1N)C=O)Br AB83719 [0,2,0,0,0,0|1,0,0]=3 1797 B10R1.30 c1cc(nc(c1N)C=O)Cl AB76329 [0,2,0,0,0,0|1,0,0]=3 1798 B10R1.30 c1cc(nc(c1N)C=O)N AB83733 [0,2,0,0,0,0|1,0,0]=3 1799 B10R1.30 c1cc(nc(c1O)C=O)Br AB84561 [0,2,0,0,0,0|1,0,0]=3 1800 B10R1.30 c1cc(nc(c1O)C=O)Cl AB74851 [0,2,0,0,0,0|1,0,0]=3 1801 B10R1.30 c1cc(nc(c1O)C=O)N AB84562 [0,2,0,0,0,0|1,0,0]=3 1802 B10R1.113 B(c1cccc(c1)Br)(O)O AB05452 [0,2,0,0,0,0|1,0,1]=4 1803 B10R1.113 B(c1cccc(c1)C)(O)O AB01795 [0,2,0,0,0,0|1,0,1]=4 1804 B10R1.113 B(c1cccc(c1)Cl)(O)O AB04228 [0,2,0,0,0,0|1,0,1]=4 1805 B10R1.113 B(c1cccc(c1)F)(O)O AB05340 [0,2,0,0,0,0|1,0,1]=4 1806 B10R1.113 B(c1cccc(c1)I)(O)O AB08836 [0,2,0,0,0,0|1,0,1]=4 1807 B10R1.113 B(c1cccc(c1)N)(O)O AB00895 [0,2,0,0,0,0|1,0,1]=4 1808 B10R1.113 B(c1cccc(c1)N)(O)O AB01122 [0,2,0,0,0,0|1,0,1]=4 1809 B10R1.113 B(c1cccc(c1)O)(O)O AB08061 [0,2,0,0,0,0|1,0,1]=4 1810 B10R1.113 B(c1cccc(c1)S)(O)O AB13509 [0,2,0,0,0,0|1,0,1]=4 1811 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [0,2,0,0,0,0|1,0,0]=3 1812 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [0,2,0,0,0,0|1,0,0]=3 1813 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [0,2,0,0,0,0|1,0,0]=3 1814 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [0,2,0,0,0,0|1,0,0]=3 1815 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [0,2,0,0,0,0|1,0,0]=3 1816 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [0,2,0,0,0,0|1,0,0]=3 1817 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [0,2,0,0,0,0|1,0,0]=3 1818 B10R1.113 CC(=O)c1cc(ncn1)Cl AB75829 [0,2,0,0,0,0|2,0,0]=4 1819 B10R1.113 CC(=O)c1cc(nnc1)Cl AB76969 [0,2,0,0,0,0|2,0,0]=4 1820 B10R1.113 CC(=O)c1cccc(n1)Br AB05570 [0,2,0,0,0,0|1,0,0]=3 1821 B10R1.113 CC(=O)c1cccc(n1)Cl AB41100 [0,2,0,0,0,0|1,0,0]=3 1822 B10R1.113 CC(=O)c1cccc(n1)F AB50226 [0,2,0,0,0,0|1,0,0]=3 1823 B10R1.113 CC(=O)c1cccc(n1)N AB67452 [0,2,0,0,0,0|1,0,0]=3 1824 B10R1.113 CC(=O)c1ccnc(c1)Br AB31302 [0,2,0,0,0,0|1,0,0]=3 1825 B10R1.113 CC(=O)c1ccnc(c1)Cl PB18811 [0,2,0,0,0,0|1,0,0]=3 1826 B10R1.113 CC(=O)c1ccnc(c1)F AB50237 [0,2,0,0,0,0|1,0,0]=3 1827 B10R1.113 CC(=O)c1ccnc(c1)N AB67454 [0,2,0,0,0,0|1,0,0]=3 1828 B10R1.113 CC(=O)c1ccnc(n1)Cl AB76950 [0,2,0,0,0,0|2,0,0]=4 1829 B10R1.113 CC(=O)c1ccnc(n1)N PB23634 [0,2,0,0,0,0|2,0,0]=4 1830 B10R1.113 C[C@@H](c1cccc(c1)N)N AB29091 [0,2,0,0,0,0|1,0,1]=4 1831 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [0,2,0,0,0,0|1,0,1]=4 1832 B10R1.113 Cc1cc(ccn1)C(=O)C AB41122 [0,2,0,0,0,0|1,0,0]=3 1833 B10R1.113 Cc1cc(ccn1)C(=O)Cl AB60195 [0,2,0,0,0,0|1,0,0]=3 1834 B10R1.113 Cc1cc(ccn1)C(=O)O AB06393 [0,2,0,0,0,0|1,0,0]=3 1835 B10R1.113 Cc1cc(ccn1)[N+](=O)[O-] PB24788 [0,2,0,0,0,0|2,0,0]=4 1836 B10R1.113 Cc1cc(cnc1)C(=O)O PB12710 [0,2,0,0,0,0|1,0,0]=3 1837 B10R1.113 Cc1cc(cnc1)[N+](=O)[O-] AB17987 [0,2,0,0,0,0|2,0,0]=4 1838 B10R1.113 Cc1cc(ncn1)C(=O)C AB50216 [0,2,0,0,0,0|2,0,0]=4 1839 B10R1.113 Cc1cc(ncn1)C(=O)O PB20450 [0,2,0,0,0,0|2,0,0]=4 1840 B10R1.113 Cc1cccc(c1)C(=N)N AB11452 [0,2,0,0,0,0|1,0,0]=3 1841 B10R1.113 Cc1cccc(c1)C(=S)N AB08506 [0,2,0,0,0,0|0,1,0]=3 1842 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [0,2,0,0,0,0|1,0,0]=3 1843 B10R1.113 Cc1cccc(n1)C(=O)O AB01368 [0,2,0,0,0,0|1,0,0]=3 1844 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [0,2,0,0,0,0|1,0,0]=3 1845 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [0,2,0,0,0,0|1,0,0]=3 1846 B10R1.113 Cc1ccnc(n1)C(=O)O PB31505 [0,2,0,0,0,0|2,0,0]=4 1847 B10R1.113 Cc1cncc(n1)C(=O)O AB48615 [0,2,0,0,0,0|2,0,0]=4 1848 B10R1.113 Cc1nccc(n1)C(=O)C AB04788 [0,2,0,0,0,0|2,0,0]=4 1849 B10R1.113 c1c(cncc1Br)C(=N)N MB05915 [0,2,0,0,0,0|2,0,0]=4 1850 B10R1.113 c1c(cncc1Br)[N+](=O)[O-] AB17991 [0,2,0,0,0,0|2,0,0]=4 1851 B10R1.113 c1c(cncc1Cl)C(=O)O PB25983 [0,2,0,0,0,0|1,0,0]=3 1852 B10R1.113 c1c(cncc1F)C(=O)O PB23226 [0,2,0,0,0,0|1,0,0]=3 1853 B10R1.113 c1c(cncc1F)[N+](=O)[O-] AB67769 [0,2,0,0,0,0|2,0,0]=4 1854 B10R1.113 c1c(cncc1N)C(=O)O PB13029 [0,2,0,0,0,0|1,0,0]=3 1855 B10R1.113 c1c(cncc1O)C(=O)N MB01725 [0,2,0,0,0,0|1,0,0]=3 1856 B10R1.113 c1c(cncc1O)C(=O)O PB33816 [0,2,0,0,0,0|1,0,0]=3 1857 B10R1.113 c1c(cncc1[N+](=O)[O-])N AB17982 [0,2,0,0,0,0|2,0,0]=4 1858 B10R1.113 c1c(cnnc1Cl)C(=O)O PB30096 [0,2,0,0,0,0|2,0,0]=4 1859 B10R1.113 c1c(nc(cn1)Br)C(=O)N MB14307 [0,2,0,0,0,0|2,0,0]=4 1860 B10R1.113 c1c(nc(cn1)Br)C(=O)O AB69955 [0,2,0,0,0,0|2,0,0]=4 1861 B10R1.113 c1c(nc(cn1)Cl)C(=O)O PB21720 [0,2,0,0,0,0|2,0,0]=4 1862 B10R1.113 c1c(nc(cn1)N)C(=O)O AB60537 [0,2,0,0,0,0|2,0,0]=4 1863 B10R1.113 c1c(ncnc1Br)C(=O)N MB14319 [0,2,0,0,0,0|2,0,0]=4 1864 B10R1.113 c1c(ncnc1Cl)C(=O)O AB48398 [0,2,0,0,0,0|2,0,0]=4 1865 B10R1.113 c1cc(cc(c1)Br)C(=N)N AB18330 [0,2,0,0,0,0|1,0,0]=3 1866 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [0,2,0,0,0,0|0,0,0]=2 1867 B10R1.113 c1cc(cc(c1)Br)C(=S)N AB21268 [0,2,0,0,0,0|0,1,0]=3 1868 B10R1.113 c1cc(cc(c1)Cl)C(=S)N AB05898 [0,2,0,0,0,0|0,1,0]=3 1869 B10R1.113 c1cc(cc(c1)F)C(=N)N AB18313 [0,2,0,0,0,0|1,0,0]=3 1870 B10R1.113 c1cc(cc(c1)F)C(=S)N AB21276 [0,2,0,0,0,0|0,1,0]=3 1871 B10R1.113 c1cc(cc(c1)N)C(=N)N AB01115 [0,2,0,0,0,0|1,0,0]=3 1872 B10R1.113 c1cc(cc(c1)N)C(=S)N AB21283 [0,2,0,0,0,0|0,1,0]=3 1873 B10R1.113 c1cc(cc(c1)O)C(=N)N AB55570 [0,2,0,0,0,0|1,0,0]=3 1874 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [0,2,0,0,0,0|0,0,0]=2 1875 B10R1.113 c1cc(nc(c1)Br)C(=O)N MB00999 [0,2,0,0,0,0|1,0,0]=3 1876 B10R1.113 c1cc(nc(c1)Br)C(=O)O AB03328 [0,2,0,0,0,0|1,0,0]=3 1877 B10R1.113 c1cc(nc(c1)Cl)C(=O)O AB04138 [0,2,0,0,0,0|1,0,0]=3 1878 B10R1.113 c1cc(nc(c1)F)C(=O)O AB11487 [0,2,0,0,0,0|1,0,0]=3 1879 B10R1.113 c1cc(nc(c1)I)C(=O)N AB42518 [0,2,0,0,0,0|1,0,0]=3 1880 B10R1.113 c1cc(nc(c1)I)C(=O)O AB42497 [0,2,0,0,0,0|1,0,0]=3 1881 B10R1.113 c1cc(nc(c1)N)C(=O)O PB23179 [0,2,0,0,0,0|1,0,0]=3 1882 B10R1.113 c1cc(nc(c1)[N+](=O)[O-])N AB17978 [0,2,0,0,0,0|2,0,0]=4 1883 B10R1.113 c1cnc(cc1Br)C(=O)O PB21234 [0,2,0,0,0,0|1,0,0]=3 1884 B10R1.113 c1cnc(cc1C(=O)N)Br AB05162 [0,2,0,0,0,0|1,0,0]=3 1885 B10R1.113 c1cnc(cc1C(=O)N)Cl AB04952 [0,2,0,0,0,0|1,0,0]=3 1886 B10R1.113 c1cnc(cc1C(=O)N)N AB16207 [0,2,0,0,0,0|1,0,0]=3 1887 B10R1.113 c1cnc(cc1C(=O)O)Br AB09563 [0,2,0,0,0,0|1,0,0]=3 1888 B10R1.113 c1cnc(cc1C(=O)O)Cl PB12125 [0,2,0,0,0,0|1,0,0]=3 1889 B10R1.113 c1cnc(cc1C(=O)O)F AB11490 [0,2,0,0,0,0|1,0,0]=3 1890 B10R1.113 c1cnc(cc1C(=O)O)I AB29977 [0,2,0,0,0,0|1,0,0]=3 1891 B10R1.113 c1cnc(cc1C(=O)O)N PB19872 [0,2,0,0,0,0|1,0,0]=3 1892 B10R1.113 c1cnc(cc1C(=O)O)O PB29144 [0,2,0,0,0,0|1,0,0]=3 1893 B10R1.113 c1cnc(cc1C(=S)N)Cl CB11453 [0,2,0,0,0,0|1,1,0]=4 1894 B10R1.113 c1cnc(cc1Cl)C(=O)N AB08235 [0,2,0,0,0,0|1,0,0]=3 1895 B10R1.113 c1cnc(cc1Cl)C(=O)O AB04585 [0,2,0,0,0,0|1,0,0]=3 1896 B10R1.113 c1cnc(cc1F)C(=O)O AB40659 [0,2,0,0,0,0|1,0,0]=3 1897 B10R1.113 c1cnc(cc1I)C(=O)O AB28008 [0,2,0,0,0,0|1,0,0]=3 1898 B10R1.113 c1cnc(cc1I)C(=O)O PB20818 [0,2,0,0,0,0|1,0,0]=3 1899 B10R1.113 c1cnc(cc1N)C(=O)N AB43415 [0,2,0,0,0,0|1,0,0]=3 1900 B10R1.113 c1cnc(cc1N)C(=O)O PB23313 [0,2,0,0,0,0|1,0,0]=3 1901 B10R1.113 c1cnc(cc1N)[N+](=O)[O-] AB17927 [0,2,0,0,0,0|2,0,0]=4 1902 B10R1.113 c1cnc(cc1O)C(=O)N MB05243 [0,2,0,0,0,0|1,0,0]=3 1903 B10R1.113 c1cnc(cc1O)C(=O)O AB06407 [0,2,0,0,0,0|1,0,0]=3 1904 B10R1.113 c1cnc(cc1[N+](=O)[O-])Br AB15753 [0,2,0,0,0,0|2,0,0]=4 1905 B10R1.113 c1cnc(cc1[N+](=O)[O-])Cl PB32222 [0,2,0,0,0,0|2,0,0]=4 1906 B10R1.113 c1cnc(cc1[N+](=O)[O-])N AB17924 [0,2,0,0,0,0|2,0,0]=4 1907 B10R1.113 c1cnc(nc1Br)C(=O)N MB14225 [0,2,0,0,0,0|2,0,0]=4 1908 B10R1.113 c1cnc(nc1C(=O)N)Br MB14149 [0,2,0,0,0,0|2,0,0]=4 1909 B10R1.113 c1cnc(nc1C(=O)N)Cl PB21684 [0,2,0,0,0,0|2,0,0]=4 1910 B10R1.113 c1cnc(nc1C(=O)O)Cl AB28457 [0,2,0,0,0,0|2,0,0]=4 1911 B10R1.113 c1cnc(nc1C(=O)O)N AB42844 [0,2,0,0,0,0|2,0,0]=4 1912 B10R1.113 c1cnc(nc1Cl)C(=O)O AB55866 [0,2,0,0,0,0|2,0,0]=4 1913 B10R1.172 C#Cc1cc(cnc1)C=O AB63411 [0,2,0,0,0,0|1,0,0]=3 1914 B10R1.172 C#Cc1cccc(c1)C#N AB45854 [0,2,0,0,0,0|1,0,1]=4 1915 B10R1.172 C#Cc1cccc(c1)C=O AB23573 [0,2,0,0,0,0|0,0,0]=2 1916 B10R1.172 C#Cc1cccc(c1)CN AB61367 [0,2,0,0,0,0|1,0,1]=4 1917 B10R1.172 C#Cc1ccnc(c1)C=O AB69038 [0,2,0,0,0,0|1,0,0]=3 1918 B10R1.172 CCc1cccc(c1)NN AB27881 [0,2,0,0,0,0|1,0,1]=4 1919 B10R1.172 COc1cc(ccn1)C=O PB32415 [0,2,0,0,0,0|1,0,0]=3 1920 B10R1.172 COc1cc(cnc1)C=O PB23495 [0,2,0,0,0,0|1,0,0]=3 1921 B10R1.172 COc1cccc(c1)C#C AB04227 [0,2,0,0,0,0|1,0,1]=4 1922 B10R1.172 COc1cccc(c1)C#N AB00159 [0,2,0,0,0,0|1,0,1]=4 1923 B10R1.172 COc1cccc(c1)C=O AB00318 [0,2,0,0,0,0|0,0,0]=2 1924 B10R1.172 COc1cccc(n1)C=O AB22243 [0,2,0,0,0,0|1,0,0]=3 1925 B10R1.172 COc1ccnc(c1)C=O AB43663 [0,2,0,0,0,0|1,0,0]=3 1926 B10R1.172 COc1cncc(n1)C=O AB73162 [0,2,0,0,0,0|2,0,0]=4 1927 B10R1.172 COc1nccc(n1)C=O AB44816 [0,2,0,0,0,0|2,0,0]=4 1928 B10R1.172 CSc1nccc(n1)C=O PB17294 [0,2,0,0,0,0|2,0,0]=4 1929 B10R1.172 c1c(cncc1C#N)C=O AB31380 [0,2,0,0,0,0|1,0,0]=3 1930 B10R1.172 c1c(cncc1C=O)CCl AB69676 [0,2,0,0,0,0|1,0,0]=3 1931 B10R1.172 c1c(cncc1C=O)CN AB31382 [0,2,0,0,0,0|1,0,0]=3 1932 B10R1.172 c1c(nc(cn1)C=O)C=O AB74048 [0,2,0,0,0,0|2,0,0]=4 1933 B10R1.172 c1c(ncnc1C=O)C=O AB58830 [0,2,0,0,0,0|2,0,0]=4 1934 B10R1.172 c1cc(cc(c1)C#N)CO CB10501 [0,2,0,0,0,0|0,0,2]=4 1935 B10R1.172 c1cc(nc(c1)C#N)C=O AB08283 [0,2,0,0,0,0|1,0,0]=3 1936 B10R1.172 c1cc(nc(c1)C=O)CCl AB54693 [0,2,0,0,0,0|1,0,0]=3 1937 B10R1.172 c1cnc(cc1C=O)C#N AB24814 [0,2,0,0,0,0|1,0,0]=3 1938 B10R1.172 c1cnc(cc1C=O)CN AB31349 [0,2,0,0,0,0|1,0,0]=3 1939 B10R1.172 c1cnc(nc1C#N)C=O AB74052 [0,2,0,0,0,0|2,0,0]=4 1940 B10R1.172 c1cnc(nc1C=O)C#N AB74054 [0,2,0,0,0,0|2,0,0]=4 1941 B10R1.172 c1cnc(nc1C=O)C=O AB58716 [0,2,0,0,0,0|2,0,0]=4 1942 B10R1.172 c1cnc(nc1C=O)CBr MB10437 [0,2,0,0,0,0|2,0,0]=4 1943 B10R1.172 c1cnc(nc1C=O)CCl AB58728 [0,2,0,0,0,0|2,0,0]=4 1944 B10R1.172 c1cnc(nc1C=O)CO AB58724 [0,2,0,0,0,0|2,0,0]=4 1945 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,2,0,0,0,0|1,0,0]=3 1946 B10R1.15 CCC(=O)c1cnccn1 PB23991 [0,2,0,0,0,0|2,0,0]=4 1947 B10R1.15 CNC(=O)c1cnccn1 AB70331 [0,2,0,0,0,0|2,0,0]=4 1948 B10R1.15 COC(=O)c1cccnn1 PB28168 [0,2,0,0,0,0|2,0,0]=4 1949 B10R1.15 COC(=O)c1ccncn1 PB15680 [0,2,0,0,0,0|2,0,0]=4 1950 B10R1.15 COC(=O)c1ccnnc1 PB31452 [0,2,0,0,0,0|2,0,0]=4 1951 B10R1.15 COC(=O)c1cncnc1 PB15822 [0,2,0,0,0,0|2,0,0]=4 1952 B10R1.15 COC(=O)c1ncccn1 PB20045 [0,2,0,0,0,0|2,0,0]=4 1953 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [0,2,0,0,0,0|1,0,1]=4 1954 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [0,2,0,0,0,0|1,0,1]=4 1955 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [0,2,0,0,0,0|1,0,0]=3 1956 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [0,2,0,0,0,0|1,0,0]=3 1957 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [0,2,0,0,0,0|1,0,0]=3 1958 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [0,2,0,0,0,0|1,0,0]=3 1959 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [0,2,0,0,0,0|0,0,0]=2 1960 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [0,2,0,0,0,0|0,0,0]=2 1961 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [0,2,0,0,0,0|0,0,0]=2 1962 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [0,2,0,0,0,0|1,0,0]=3 1963 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [0,2,0,0,0,0|1,0,0]=3 1964 B10R1.15 c1cnc(cn1)C(=O)NN AB07083 [0,2,0,0,0,0|2,0,0]=4 1965 B10R1.15 c1cnccc1C(=O)C=O AB62328 [0,2,0,0,0,0|1,0,0]=3 1966 B10R1.15 c1cnccc1C(=O)CBr AB12154 [0,2,0,0,0,0|1,0,0]=3 1967 B10R1.15 c1cncnc1C(=O)NN AB28062 [0,2,0,0,0,0|2,0,0]=4 1968 B10R1.28 [B-](c1ccccc1)(F)(F)F AB08670 [0,2,0,0,0,0|2,0,0]=4 1969 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl AB15457 [0,2,0,0,0,0|2,0,0]=4 1970 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl PB34068 [0,2,0,0,0,0|2,0,0]=4 1971 B10R1.28 c1ccnc(c1)S(=O)(=O)Cl AB09523 [0,2,0,0,0,0|2,0,0]=4 1972 B10R1.28 c1ccnc(c1)S(=O)(=O)Cl AB14073 [0,2,0,0,0,0|2,0,0]=4 1973 B10R1.28 c1ccnc(c1)S(=O)(=O)N PB16122 [0,2,0,0,0,0|2,0,0]=4 1974 B10R1.28 c1cnccc1S(=O)(=O)N PB26859 [0,2,0,0,0,0|2,0,0]=4 1975 B10R1.61 B(c1ccccc1Br)(O)O AB08325 [0,2,0,0,0,0|1,0,1]=4 1976 B10R1.61 B(c1ccccc1C)(O)O AB03348 [0,2,0,0,0,0|1,0,1]=4 1977 B10R1.61 B(c1ccccc1Cl)(O)O AB06914 [0,2,0,0,0,0|1,0,1]=4 1978 B10R1.61 B(c1ccccc1F)(O)O AB06918 [0,2,0,0,0,0|1,0,1]=4 1979 B10R1.61 B(c1ccccc1N)(O)O AB08088 [0,2,0,0,0,0|1,0,1]=4 1980 B10R1.61 B(c1ccccc1O)(O)O AB08053 [0,2,0,0,0,0|1,0,1]=4 1981 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [0,2,0,0,0,0|1,0,0]=3 1982 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [0,2,0,0,0,0|1,0,0]=3 1983 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [0,2,0,0,0,0|1,0,0]=3 1984 B10R1.61 CC(=O)c1c(nccn1)Cl PB31492 [0,2,0,0,0,0|2,0,0]=4 1985 B10R1.61 CC(=O)c1c(nccn1)N PB17764 [0,2,0,0,0,0|2,0,0]=4 1986 B10R1.61 CC(=O)c1cccnc1Br AB18171 [0,2,0,0,0,0|1,0,0]=3 1987 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [0,2,0,0,0,0|1,0,0]=3 1988 B10R1.61 CC(=O)c1cccnc1F AB41104 [0,2,0,0,0,0|1,0,0]=3 1989 B10R1.61 CC(=O)c1cccnc1N AB11689 [0,2,0,0,0,0|1,0,0]=3 1990 B10R1.61 CC(=O)c1ccncc1Br PB12099 [0,2,0,0,0,0|1,0,0]=3 1991 B10R1.61 CC(=O)c1ccncc1F PB22036 [0,2,0,0,0,0|1,0,0]=3 1992 B10R1.61 CC(=O)c1ccncc1N AB41121 [0,2,0,0,0,0|1,0,0]=3 1993 B10R1.61 CC(=O)c1cnccc1Br AB64732 [0,2,0,0,0,0|1,0,0]=3 1994 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [0,2,0,0,0,0|1,0,0]=3 1995 B10R1.61 CC(=O)c1cnccc1F AB41107 [0,2,0,0,0,0|1,0,0]=3 1996 B10R1.61 CN(C)c1ccccc1O MB08302 [0,2,0,0,0,0|2,0,0]=4 1997 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [0,2,0,0,0,0|1,0,0]=3 1998 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [0,2,0,0,0,0|1,0,0]=3 1999 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] PB15768 [0,2,0,0,0,0|2,0,0]=4 2000 B10R1.61 Cc1c(ccnn1)C(=O)O PB22593 [0,2,0,0,0,0|2,0,0]=4 2001 B10R1.61 Cc1c(nccn1)C(=O)O PB12562 [0,2,0,0,0,0|2,0,0]=4 2002 B10R1.61 Cc1ccccc1C(=N)N AB18273 [0,2,0,0,0,0|1,0,0]=3 2003 B10R1.61 Cc1ccccc1C(=S)N AB16881 [0,2,0,0,0,0|0,1,0]=3 2004 B10R1.61 Cc1cccnc1C(=O)O PB10121 [0,2,0,0,0,0|1,0,0]=3 2005 B10R1.61 Cc1ccncc1C(=O)C AB45306 [0,2,0,0,0,0|1,0,0]=3 2006 B10R1.61 Cc1ccncc1C(=O)O PB17119 [0,2,0,0,0,0|1,0,0]=3 2007 B10R1.61 Cc1ccncc1[N+](=O)[O-] PB27407 [0,2,0,0,0,0|2,0,0]=4 2008 B10R1.61 Cc1ccnnc1C(=O)O PB17664 [0,2,0,0,0,0|2,0,0]=4 2009 B10R1.61 Cc1cnccc1C(=O)O PB12103 [0,2,0,0,0,0|1,0,0]=3 2010 B10R1.61 Cc1cnccc1[N+](=O)[O-] PB15731 [0,2,0,0,0,0|2,0,0]=4 2011 B10R1.61 Cc1cnncc1C(=O)O PB17923 [0,2,0,0,0,0|2,0,0]=4 2012 B10R1.61 c1c(c(ncn1)C(=O)O)Br PB12688 [0,2,0,0,0,0|2,0,0]=4 2013 B10R1.61 c1c(c(ncn1)Cl)C(=O)O AB51529 [0,2,0,0,0,0|2,0,0]=4 2014 B10R1.61 c1c(c(ncn1)N)C(=O)O AB02045 [0,2,0,0,0,0|2,0,0]=4 2015 B10R1.61 c1cc(c(nc1)Br)C(=O)O AB09561 [0,2,0,0,0,0|1,0,0]=3 2016 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] PB12717 [0,2,0,0,0,0|2,0,0]=4 2017 B10R1.61 c1cc(c(nc1)C(=O)N)N PB24920 [0,2,0,0,0,0|1,0,0]=3 2018 B10R1.61 c1cc(c(nc1)C(=O)O)Cl PB30690 [0,2,0,0,0,0|1,0,0]=3 2019 B10R1.61 c1cc(c(nc1)C(=O)O)F PB12310 [0,2,0,0,0,0|1,0,0]=3 2020 B10R1.61 c1cc(c(nc1)C(=O)O)I AB10544 [0,2,0,0,0,0|1,0,0]=3 2021 B10R1.61 c1cc(c(nc1)C(=O)O)N PB32134 [0,2,0,0,0,0|1,0,0]=3 2022 B10R1.61 c1cc(c(nc1)Cl)C(=N)N MB05508 [0,2,0,0,0,0|2,0,0]=4 2023 B10R1.61 c1cc(c(nc1)Cl)C(=O)O AB00651 [0,2,0,0,0,0|1,0,0]=3 2024 B10R1.61 c1cc(c(nc1)Cl)[N+](=O)[O-] PB33644 [0,2,0,0,0,0|2,0,0]=4 2025 B10R1.61 c1cc(c(nc1)F)C(=O)O AB01814 [0,2,0,0,0,0|1,0,0]=3 2026 B10R1.61 c1cc(c(nc1)N)C(=O)O PB30535 [0,2,0,0,0,0|1,0,0]=3 2027 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] PB19852 [0,2,0,0,0,0|2,0,0]=4 2028 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [0,2,0,0,0,0|1,0,0]=3 2029 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] PB30530 [0,2,0,0,0,0|2,0,0]=4 2030 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O AB00667 [0,2,0,0,0,0|2,0,0]=4 2031 B10R1.61 c1ccc(c(c1)C(=N)N)Br AB18326 [0,2,0,0,0,0|1,0,0]=3 2032 B10R1.61 c1ccc(c(c1)C(=N)N)Cl AB05888 [0,2,0,0,0,0|1,0,0]=3 2033 B10R1.61 c1ccc(c(c1)C(=N)N)F AB18318 [0,2,0,0,0,0|1,0,0]=3 2034 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [0,2,0,0,0,0|1,0,0]=3 2035 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [0,2,0,0,0,0|0,0,0]=2 2036 B10R1.61 c1ccc(c(c1)C(=S)N)Br AB21272 [0,2,0,0,0,0|0,1,0]=3 2037 B10R1.61 c1ccc(c(c1)C(=S)N)Cl AB01839 [0,2,0,0,0,0|0,1,0]=3 2038 B10R1.61 c1ccc(c(c1)C(=S)N)N AB07816 [0,2,0,0,0,0|0,1,0]=3 2039 B10R1.61 c1cnc(c(n1)C(=O)Cl)Cl AB60404 [0,2,0,0,0,0|2,0,0]=4 2040 B10R1.61 c1cnc(c(n1)C(=O)N)N AB14047 [0,2,0,0,0,0|2,0,0]=4 2041 B10R1.61 c1cnc(c(n1)C(=O)N)O CB10307 [0,2,0,0,0,0|2,0,0]=4 2042 B10R1.61 c1cnc(c(n1)C(=O)O)Cl PB23222 [0,2,0,0,0,0|2,0,0]=4 2043 B10R1.61 c1cnc(c(n1)C(=O)O)N AB00606 [0,2,0,0,0,0|2,0,0]=4 2044 B10R1.61 c1cnc(c(n1)C(=O)O)O PB18475 [0,2,0,0,0,0|2,0,0]=4 2045 B10R1.61 c1cncc(c1Br)C(=O)O AB18009 [0,2,0,0,0,0|1,0,0]=3 2046 B10R1.61 c1cncc(c1Br)[N+](=O)[O-] AB17641 [0,2,0,0,0,0|2,0,0]=4 2047 B10R1.61 c1cncc(c1C(=O)N)O MB13532 [0,2,0,0,0,0|1,0,0]=3 2048 B10R1.61 c1cncc(c1C(=O)O)Br PB10062 [0,2,0,0,0,0|1,0,0]=3 2049 B10R1.61 c1cncc(c1C(=O)O)Cl AB13346 [0,2,0,0,0,0|1,0,0]=3 2050 B10R1.61 c1cncc(c1C(=O)O)I AB09565 [0,2,0,0,0,0|1,0,0]=3 2051 B10R1.61 c1cncc(c1C(=O)O)N PB17122 [0,2,0,0,0,0|1,0,0]=3 2052 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [0,2,0,0,0,0|1,0,0]=3 2053 B10R1.61 c1cncc(c1Cl)C(=O)O AB03598 [0,2,0,0,0,0|1,0,0]=3 2054 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] PB27580 [0,2,0,0,0,0|2,0,0]=4 2055 B10R1.61 c1cncc(c1F)C(=O)O AB18036 [0,2,0,0,0,0|1,0,0]=3 2056 B10R1.61 c1cncc(c1I)C(=O)O AB15003 [0,2,0,0,0,0|1,0,0]=3 2057 B10R1.61 c1cncc(c1N)C(=O)N PB21456 [0,2,0,0,0,0|1,0,0]=3 2058 B10R1.61 c1cncc(c1N)C(=O)O PB26016 [0,2,0,0,0,0|1,0,0]=3 2059 B10R1.61 c1cncc(c1N)[N+](=O)[O-] PB15655 [0,2,0,0,0,0|2,0,0]=4 2060 B10R1.61 c1cncc(c1O)C(=O)N MB06099 [0,2,0,0,0,0|1,0,0]=3 2061 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [0,2,0,0,0,0|1,0,0]=3 2062 B10R1.61 c1cncc(c1O)[N+](=O)[O-] PB12105 [0,2,0,0,0,0|2,0,0]=4 2063 B10R1.61 c1cncc(c1[N+](=O)[O-])Br AB13073 [0,2,0,0,0,0|2,0,0]=4 2064 B10R1.61 c1cncc(c1[N+](=O)[O-])Cl AB06349 [0,2,0,0,0,0|2,0,0]=4 2065 B10R1.61 c1cncc(c1[N+](=O)[O-])F AB17583 [0,2,0,0,0,0|2,0,0]=4 2066 B10R1.61 c1cncc(c1[N+](=O)[O-])N AB18008 [0,2,0,0,0,0|2,0,0]=4 2067 B10R1.61 c1cnnc(c1C(=O)O)O AB76276 [0,2,0,0,0,0|2,0,0]=4 2068 B10R1.4 Cc1ccccc1CC=O AB11813 [0,2,0,0,0,0|0,0,0]=2 2069 B10R1.4 c1cc(c(nc1)Br)\C=N\O AB70377 [0,2,0,0,0,0|1,0,1]=4 2070 B10R1.4 c1cc(c(nc1)N)\C=N\O AB25853 [0,2,0,0,0,0|1,0,1]=4 2071 B10R1.4 c1ccc(c(c1)CC#N)Br AB00169 [0,2,0,0,0,0|1,0,1]=4 2072 B10R1.4 c1ccc(c(c1)CC#N)F AB00172 [0,2,0,0,0,0|1,0,1]=4 2073 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [0,2,0,0,0,0|1,0,1]=4 2074 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [0,2,0,0,0,0|1,0,1]=4 2075 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [0,2,0,0,0,0|1,0,1]=4 2076 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [0,2,0,0,0,0|1,0,1]=4 2077 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [0,2,0,0,0,0|1,0,1]=4 2078 B10R1.4 c1ccc(c(c1)\C=N\O)Cl AB01188 [0,2,0,0,0,0|0,0,1]=3 2079 B10R1.4 c1cncc(c1N=C=O)Cl AB74203 [0,2,0,0,0,0|1,0,1]=4 2080 B10R1.17 c1c(cncn1)CCC=O AB57646 [0,2,0,0,0,0|2,0,0]=4 2081 B10R1.17 c1cc(cnc1)CCC=O AB57626 [0,2,0,0,0,0|1,0,0]=3 2082 B10R1.17 c1ccc(cc1)CCC=O AB00823 [0,2,0,0,0,0|0,0,0]=2 2083 B10R1.17 c1ccc(cc1)CCCN AB00940 [0,2,0,0,0,0|1,0,1]=4 2084 B10R1.17 c1ccnc(c1)CCC=O AB57635 [0,2,0,0,0,0|1,0,0]=3 2085 B10R1.17 c1cnc(cn1)CCC=O AB57652 [0,2,0,0,0,0|2,0,0]=4 2086 B10R1.17 c1cnc(nc1)CCC=O AB57644 [0,2,0,0,0,0|2,0,0]=4 2087 B10R1.17 c1cnccc1CCC=O AB49299 [0,2,0,0,0,0|1,0,0]=3 2088 B10R1.17 c1cncnc1CCC=O AB57649 [0,2,0,0,0,0|2,0,0]=4 2089 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [0,2,0,0,0,0|0,0,2]=4 2090 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [0,2,0,0,0,0|1,0,0]=3 2091 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [0,2,0,0,0,0|1,0,0]=3 2092 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [0,2,0,0,0,0|1,0,0]=3 2093 B10R1.18 CC(=O)Cc1ncccn1 MB07248 [0,2,0,0,0,0|2,0,0]=4 2094 B10R1.18 CC(=O)Nc1ccncc1 AB06982 [0,2,0,0,0,0|1,0,0]=3 2095 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [0,2,0,0,0,0|1,0,1]=4 2096 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [0,2,0,0,0,0|1,0,1]=4 2097 B10R1.18 c1c(cncn1)CC(=O)O PB12648 [0,2,0,0,0,0|2,0,0]=4 2098 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [0,2,0,0,0,0|1,0,0]=3 2099 B10R1.18 c1cc(nnc1)CC(=O)O PB14847 [0,2,0,0,0,0|2,0,0]=4 2100 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [0,2,0,0,0,0|1,0,0]=3 2101 B10R1.18 c1cnc(cn1)CC(=O)O PB10382 [0,2,0,0,0,0|2,0,0]=4 2102 B10R1.18 c1cnc(nc1)CC(=O)O PB34087 [0,2,0,0,0,0|2,0,0]=4 2103 B10R1.18 c1cncnc1CC(=O)O PB21983 [0,2,0,0,0,0|2,0,0]=4 2104 B10R1.18 c1cnncc1CC(=O)O PB31426 [0,2,0,0,0,0|2,0,0]=4 2105 B10R1.20 C#Cc1ccccc1C=O AB17472 [0,2,0,0,0,0|0,0,0]=2 2106 B10R1.20 C#Cc1ccncc1C=O AB69095 [0,2,0,0,0,0|1,0,0]=3 2107 B10R1.20 C#Cc1cnccc1C=O AB69064 [0,2,0,0,0,0|1,0,0]=3 2108 B10R1.20 COc1c(cccn1)C=O PB26137 [0,2,0,0,0,0|1,0,0]=3 2109 B10R1.20 COc1c(nccn1)C=O AB55611 [0,2,0,0,0,0|2,0,0]=4 2110 B10R1.20 COc1ccccc1C#N AB00156 [0,2,0,0,0,0|1,0,1]=4 2111 B10R1.20 COc1ccccc1C=O AB00311 [0,2,0,0,0,0|0,0,0]=2 2112 B10R1.20 COc1cccnc1C=O AB22246 [0,2,0,0,0,0|1,0,0]=3 2113 B10R1.20 COc1ccncc1C=O AB17569 [0,2,0,0,0,0|1,0,0]=3 2114 B10R1.20 COc1cnccc1C=O AB17541 [0,2,0,0,0,0|1,0,0]=3 2115 B10R1.20 CSc1c(cccn1)C=O MB07044 [0,2,0,0,0,0|1,0,0]=3 2116 B10R1.20 c1cc(c(nc1)C#N)C=O AB31409 [0,2,0,0,0,0|1,0,0]=3 2117 B10R1.20 c1cc(c(nc1)C=O)C#N AB54498 [0,2,0,0,0,0|1,0,0]=3 2118 B10R1.20 c1cc(c(nc1)CCl)C=O AB69680 [0,2,0,0,0,0|1,0,0]=3 2119 B10R1.20 c1cc(c(nc1)CN)C=O AB31410 [0,2,0,0,0,0|1,0,0]=3 2120 B10R1.20 c1cncc(c1C#N)C=O AB74128 [0,2,0,0,0,0|1,0,0]=3 2121 B10R1.20 c1cncc(c1C=O)C#N AB67707 [0,2,0,0,0,0|1,0,0]=3 2122 B10R1.20 c1cncc(c1CCl)C=O AB69679 [0,2,0,0,0,0|1,0,0]=3 2123 B10R1.245 CCc1c(cccc1Br)O MB23614 [0,2,0,0,0,0|1,0,1]=4 2124 B10R1.245 CCc1c(cccc1Cl)O MB23615 [0,2,0,0,0,0|1,0,1]=4 2125 B10R1.245 CCc1c(cccc1F)O MB23585 [0,2,0,0,0,0|1,0,1]=4 2126 B10R1.245 CCc1c(cccc1I)O MB23587 [0,2,0,0,0,0|1,0,1]=4 2127 B10R1.245 CCc1c(cccc1O)C MB23554 [0,2,0,0,0,0|1,0,1]=4 2128 B10R1.245 CCc1c(cccc1O)N MB23558 [0,2,0,0,0,0|1,0,1]=4 2129 B10R1.245 CNc1c(cccc1Br)O MB31500 [0,2,0,0,0,0|2,0,0]=4 2130 B10R1.245 CNc1c(cccc1Cl)O MB33359 [0,2,0,0,0,0|2,0,0]=4 2131 B10R1.245 CNc1c(cccc1F)O MB29137 [0,2,0,0,0,0|2,0,0]=4 2132 B10R1.245 CNc1c(cccc1I)O MB30346 [0,2,0,0,0,0|2,0,0]=4 2133 B10R1.245 CNc1c(cccc1O)N MB01610 [0,2,0,0,0,0|2,0,0]=4 2134 B10R1.245 COc1c(cccc1Br)F AB21504 [0,2,0,0,0,0|2,0,0]=4 2135 B10R1.245 COc1c(cccc1Br)O MB09199 [0,2,0,0,0,0|2,0,0]=4 2136 B10R1.245 COc1c(cccc1Cl)O MB34190 [0,2,0,0,0,0|2,0,0]=4 2137 B10R1.245 COc1c(cccc1F)N MB00204 [0,2,0,0,0,0|2,0,0]=4 2138 B10R1.245 COc1c(cccc1I)O MB33689 [0,2,0,0,0,0|2,0,0]=4 2139 B10R1.245 COc1c(cccc1O)N MB14425 [0,2,0,0,0,0|2,0,0]=4 2140 B10R1.245 CSc1c(cccc1Br)O MB32344 [0,2,0,0,0,0|2,0,0]=4 2141 B10R1.245 CSc1c(cccc1Cl)O MB25403 [0,2,0,0,0,0|2,0,0]=4 2142 B10R1.245 CSc1c(cccc1I)O MB36697 [0,2,0,0,0,0|2,0,0]=4 2143 B10R1.245 CSc1c(cccc1O)N MB26572 [0,2,0,0,0,0|2,0,0]=4 2144 B10R1.245 Cc1c(c(ccn1)Br)C=O AB66858 [0,2,0,0,0,0|1,0,0]=3 2145 B10R1.245 Cc1c(c(ccn1)Cl)C=O AB66851 [0,2,0,0,0,0|1,0,0]=3 2146 B10R1.245 Cc1c(c(ccn1)F)C=O AB68033 [0,2,0,0,0,0|1,0,0]=3 2147 B10R1.245 Cc1c(c(ccn1)N)C=O AB68110 [0,2,0,0,0,0|1,0,0]=3 2148 B10R1.245 Cc1c(c(ccn1)O)C=O AB84477 [0,2,0,0,0,0|1,0,0]=3 2149 B10R1.245 Cc1cccc(c1C#N)O MB02406 [0,2,0,0,0,0|1,0,1]=4 2150 B10R1.245 Cc1cccc(c1C=O)O MB14829 [0,2,0,0,0,0|0,0,0]=2 2151 B10R1.245 Cc1cccc(c1CCl)C AB08451 [0,2,0,0,0,0|1,0,1]=4 2152 B10R1.245 Cc1cccc(c1CN)O MB25667 [0,2,0,0,0,0|1,0,1]=4 2153 B10R1.245 Cc1cccc(c1CO)C AB03562 [0,2,0,0,0,0|0,0,2]=4 2154 B10R1.245 Cc1cccc(c1OC)O MB33579 [0,2,0,0,0,0|2,0,0]=4 2155 B10R1.245 Cc1cccc(c1SC)O MB08534 [0,2,0,0,0,0|2,0,0]=4 2156 B10R1.245 Cc1ccnc(c1C=O)C AB63129 [0,2,0,0,0,0|1,0,0]=3 2157 B10R1.245 Cc1ccnc(c1C=O)Cl AB44897 [0,2,0,0,0,0|1,0,0]=3 2158 B10R1.245 Cc1ccnc(c1C=O)F AB44902 [0,2,0,0,0,0|1,0,0]=3 2159 B10R1.245 Cc1ccnc(c1C=O)N AB70910 [0,2,0,0,0,0|1,0,0]=3 2160 B10R1.245 Cc1ccnc(c1C=O)O AB71364 [0,2,0,0,0,0|1,0,0]=3 2161 B10R1.245 Cc1cncc(c1C=O)C AB24811 [0,2,0,0,0,0|1,0,0]=3 2162 B10R1.245 Cc1cncc(c1C=O)Cl AB75138 [0,2,0,0,0,0|1,0,0]=3 2163 B10R1.245 Cc1cncc(c1C=O)F AB75180 [0,2,0,0,0,0|1,0,0]=3 2164 B10R1.245 Cc1cncc(c1C=O)N AB83619 [0,2,0,0,0,0|1,0,0]=3 2165 B10R1.245 Cc1cncc(c1C=O)O AB75255 [0,2,0,0,0,0|1,0,0]=3 2166 B10R1.245 c1c(c(c(cn1)Br)C=O)N AB83602 [0,2,0,0,0,0|1,0,0]=3 2167 B10R1.245 c1c(c(c(cn1)Br)C=O)O AB84381 [0,2,0,0,0,0|1,0,0]=3 2168 B10R1.245 c1c(c(c(cn1)Cl)C=O)Cl AB17460 [0,2,0,0,0,0|1,0,0]=3 2169 B10R1.245 c1c(c(c(cn1)Cl)C=O)F AB70955 [0,2,0,0,0,0|1,0,0]=3 2170 B10R1.245 c1c(c(c(cn1)Cl)C=O)N AB83603 [0,2,0,0,0,0|1,0,0]=3 2171 B10R1.245 c1c(c(c(cn1)Cl)C=O)O AB75024 [0,2,0,0,0,0|1,0,0]=3 2172 B10R1.245 c1c(c(c(cn1)F)C=O)F AB31964 [0,2,0,0,0,0|1,0,0]=3 2173 B10R1.245 c1c(c(c(cn1)N)C=O)N AB83622 [0,2,0,0,0,0|1,0,0]=3 2174 B10R1.245 c1c(c(c(cn1)O)C=O)N AB84386 [0,2,0,0,0,0|1,0,0]=3 2175 B10R1.245 c1cc(c(c(c1)Br)C#N)Cl MB03774 [0,2,0,0,0,0|1,0,1]=4 2176 B10R1.245 c1cc(c(c(c1)Br)C#N)O MB12048 [0,2,0,0,0,0|1,0,1]=4 2177 B10R1.245 c1cc(c(c(c1)Br)C=O)Br CB11474 [0,2,0,0,0,0|0,0,0]=2 2178 B10R1.245 c1cc(c(c(c1)Br)C=O)Cl MB01095 [0,2,0,0,0,0|0,0,0]=2 2179 B10R1.245 c1cc(c(c(c1)Br)C=O)F AB14028 [0,2,0,0,0,0|0,0,0]=2 2180 B10R1.245 c1cc(c(c(c1)Br)C=O)N PB34549 [0,2,0,0,0,0|0,0,0]=2 2181 B10R1.245 c1cc(c(c(c1)Br)C=O)O AB43626 [0,2,0,0,0,0|0,0,0]=2 2182 B10R1.245 c1cc(c(c(c1)Br)CN)O MB12052 [0,2,0,0,0,0|1,0,1]=4 2183 B10R1.245 c1cc(c(c(c1)Br)CO)F AB50340 [0,2,0,0,0,0|0,0,2]=4 2184 B10R1.245 c1cc(c(c(c1)Cl)C#N)O PB19932 [0,2,0,0,0,0|1,0,1]=4 2185 B10R1.245 c1cc(c(c(c1)Cl)C=O)N AB58431 [0,2,0,0,0,0|0,0,0]=2 2186 B10R1.245 c1cc(c(c(c1)Cl)C=O)O MB01945 [0,2,0,0,0,0|0,0,0]=2 2187 B10R1.245 c1cc(c(c(c1)Cl)CN)O MB15041 [0,2,0,0,0,0|1,0,1]=4 2188 B10R1.245 c1cc(c(c(c1)F)C=O)O MB01694 [0,2,0,0,0,0|0,0,0]=2 2189 B10R1.245 c1cc(c(c(c1)F)CN)O MB03739 [0,2,0,0,0,0|1,0,1]=4 2190 B10R1.245 c1cc(c(c(c1)I)C#N)F AB01183 [0,2,0,0,0,0|1,0,1]=4 2191 B10R1.245 c1cc(c(c(c1)I)C#N)O MB37282 [0,2,0,0,0,0|1,0,1]=4 2192 B10R1.245 c1cc(c(c(c1)I)C=O)O MB14699 [0,2,0,0,0,0|0,0,0]=2 2193 B10R1.245 c1cc(c(c(c1)I)CN)O MB31821 [0,2,0,0,0,0|1,0,1]=4 2194 B10R1.245 c1cc(c(c(c1)O)C#N)N MB34868 [0,2,0,0,0,0|1,0,1]=4 2195 B10R1.245 c1cc(c(c(c1)O)C=O)N MB27161 [0,2,0,0,0,0|0,0,0]=2 2196 B10R1.245 c1cc(c(c(c1)O)CN)N MB31845 [0,2,0,0,0,0|1,0,1]=4 2197 B10R1.245 c1cnc(c(c1Br)C=O)Cl AB62918 [0,2,0,0,0,0|1,0,0]=3 2198 B10R1.245 c1cnc(c(c1Br)C=O)N AB83695 [0,2,0,0,0,0|1,0,0]=3 2199 B10R1.245 c1cnc(c(c1Br)C=O)O AB84479 [0,2,0,0,0,0|1,0,0]=3 2200 B10R1.245 c1cnc(c(c1Cl)C=O)Cl AB41952 [0,2,0,0,0,0|1,0,0]=3 2201 B10R1.245 c1cnc(c(c1Cl)C=O)F AB70637 [0,2,0,0,0,0|1,0,0]=3 2202 B10R1.245 c1cnc(c(c1Cl)C=O)N PB22850 [0,2,0,0,0,0|1,0,0]=3 2203 B10R1.245 c1cnc(c(c1Cl)C=O)O AB84482 [0,2,0,0,0,0|1,0,0]=3 2204 B10R1.245 c1cnc(c(c1F)C=O)Cl AB68028 [0,2,0,0,0,0|1,0,0]=3 2205 B10R1.245 c1cnc(c(c1I)C=O)Cl MB02652 [0,2,0,0,0,0|1,0,0]=3 2206 B10R1.245 c1cnc(c(c1N)C=O)Br AB83694 [0,2,0,0,0,0|1,0,0]=3 2207 B10R1.245 c1cnc(c(c1N)C=O)Cl AB52768 [0,2,0,0,0,0|1,0,0]=3 2208 B10R1.245 c1cnc(c(c1N)C=O)O AB84486 [0,2,0,0,0,0|1,0,0]=3 2209 B10R1.245 c1cnc(c(c1O)C=O)Br AB84458 [0,2,0,0,0,0|1,0,0]=3 2210 B10R1.245 c1cnc(c(c1O)C=O)Cl AB66422 [0,2,0,0,0,0|1,0,0]=3 2211 B10R1.245 c1cnc(c(c1O)C=O)N AB84460 [0,2,0,0,0,0|1,0,0]=3 2212 B10R1.245 c1nc(c(c(n1)Cl)C=O)Cl PB34029 [0,2,0,0,0,0|2,0,0]=4 2213 B10R1.245 c1nc(c(c(n1)Cl)C=O)N AB16151 [0,2,0,0,0,0|2,0,0]=4 2214 B10R1.245 c1nc(c(c(n1)N)C=O)N AB54931 [0,2,0,0,0,0|2,0,0]=4 2215 B10R2.7 C1=CC2C(=NC=N2)C=C1 AB56425 [0,1,0,1,0,0|1,0,1]=4 2216 B10R2.7 C1=CC2C=NN=C2C=C1 PB23156 [0,1,0,1,0,0|1,0,1]=4 2217 B10R2.7 c1cc2c(cco2)nc1 PB26741 [0,1,0,1,0,0|1,0,1]=4 2218 B10R2.7 c1cc2c(ccs2)nc1 PB25371 [0,1,0,1,0,0|1,1,0]=4 2219 B10R2.7 c1cc2c(nc1)ncs2 MB10672 [0,1,0,1,0,0|1,1,0]=4 2220 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [0,1,0,1,0,0|1,0,1]=4 2221 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [0,1,0,1,0,0|1,0,1]=4 2222 B10R2.7 c1ccn2c(c1)ccn2 AB48944 [0,1,0,1,0,0|2,0,0]=4 2223 B10R2.7 c1ccn2c(c1)cnn2 MB00828 [0,1,0,1,0,0|2,0,0]=4 2224 B10R2.7 c1ccn2c(c1)ncn2 AB15720 [0,1,0,1,0,0|2,0,0]=4 2225 B10R2.7 c1ccn2cccc2c1 AB01491 [0,1,0,1,0,0|2,0,0]=4 2226 B10R2.7 c1ccn2cncc2c1 AB14043 [0,1,0,1,0,0|2,0,0]=4 2227 B10R2.7 c1cncc2=CCN=c21 PB12213 [0,1,0,1,0,0|2,0,0]=4 2228 B10R2.7 c1cncc2=NCC=c21 PB21773 [0,1,0,1,0,0|2,0,0]=4 2229 B10R2.7 c1cncc2c1ccs2 MB02036 [0,1,0,1,0,0|1,1,0]=4 2230 B6R1.2 C1=NC(=O)N=C1 AB01798 [1,0,0,0,1,0|2,0,0]=4 2231 B6R1.2 c1cc(oc1)Br AB04890 [1,0,0,0,1,0|2,0,0]=4 2232 B6R1.2 c1cc(sc1)N AB08372 [1,0,0,0,1,0|2,0,0]=4 2233 B6R1.2 c1ccn(c1)N PB33802 [1,0,0,0,1,0|2,0,0]=4 2234 B6R1.2 c1cscc1N MB09694 [1,0,0,0,1,0|2,0,0]=4 2235 B6R1.2 c1cscc1N PB23357 [1,0,0,0,1,0|2,0,0]=4