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 CNc1cccnc1 AB09114 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 CNc1ccncn1 AB60623 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.2 CNc1cncnc1 AB60774 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.2 CNc1ncccn1 AB05135 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.2 COc1cccnc1 AB06864 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.2 COc1cccnn1 AB05130 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.2 COc1ccnnc1 AB44150 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.2 c1c(cncn1)C#N PB29060 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.2 c1c(cncn1)C=O PB32342 [0,0,0,0,0,0|2,0,2]=4 17 B8R1.2 c1c(cncn1)CCl PB31962 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.2 c1c(cncn1)CCl PB34530 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.2 c1c(cncn1)CN PB26277 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.2 c1c(cncn1)CO PB18631 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.2 c1c(cncn1)NN PB30357 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.2 c1cc(cnc1)C=O AB00744 [0,0,0,0,0,0|1,0,2]=3 23 B8R1.2 c1cc(cnc1)CCl AB01984 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.2 c1cc(cnc1)CN AB00752 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.2 c1cc(cnc1)NN AB42924 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.2 c1cc(cnc1)NN PB18886 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.2 c1cc(nnc1)C#N PB19049 [0,0,0,0,0,0|3,0,1]=4 28 B8R1.2 c1cc(nnc1)C=O PB20119 [0,0,0,0,0,0|2,0,2]=4 29 B8R1.2 c1cc(nnc1)CCl PB28814 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.2 c1cc(nnc1)CN PB29341 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.2 c1cc(nnc1)CO PB30818 [0,0,0,0,0,0|2,0,0]=2 32 B8R1.2 c1ccnc(c1)C=O AB00680 [0,0,0,0,0,0|1,0,2]=3 33 B8R1.2 c1ccnc(c1)CBr MB02148 [0,0,0,0,0,0|2,0,0]=2 34 B8R1.2 c1ccnc(c1)CCl AB22495 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.2 c1ccnc(c1)CN AB00731 [0,0,0,0,0,0|2,0,0]=2 36 B8R1.2 c1cnc(cn1)C#N AB02102 [0,0,0,0,0,0|3,0,1]=4 37 B8R1.2 c1cnc(cn1)C=O PB19982 [0,0,0,0,0,0|2,0,2]=4 38 B8R1.2 c1cnc(cn1)CCl PB20483 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.2 c1cnc(cn1)CN PB14180 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.2 c1cnc(cn1)CO PB21779 [0,0,0,0,0,0|2,0,0]=2 41 B8R1.2 c1cnc(cn1)NN PB12798 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.2 c1cnc(nc1)C#N PB27459 [0,0,0,0,0,0|3,0,1]=4 43 B8R1.2 c1cnc(nc1)C=O PB34235 [0,0,0,0,0,0|2,0,2]=4 44 B8R1.2 c1cnc(nc1)CCl PB20403 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.2 c1cnc(nc1)CN CB11589 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.2 c1cnc(nc1)CN PB23443 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.2 c1cnc(nc1)CO PB12410 [0,0,0,0,0,0|2,0,0]=2 48 B8R1.2 c1cnc(nc1)NN PB10192 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.2 c1cnccc1C=O AB00754 [0,0,0,0,0,0|1,0,2]=3 50 B8R1.2 c1cnccc1CCl AB15539 [0,0,0,0,0,0|2,0,0]=2 51 B8R1.2 c1cnccc1CN AB00767 [0,0,0,0,0,0|2,0,0]=2 52 B8R1.2 c1cnccc1NN PB27392 [0,0,0,0,0,0|3,0,0]=3 53 B8R1.2 c1cnccc1ON AB31585 [0,0,0,0,0,0|3,0,0]=3 54 B8R1.2 c1cncnc1C=O AB16150 [0,0,0,0,0,0|2,0,2]=4 55 B8R1.2 c1cncnc1CCl AB58895 [0,0,0,0,0,0|3,0,0]=3 56 B8R1.2 c1cncnc1CN PB10439 [0,0,0,0,0,0|3,0,0]=3 57 B8R1.2 c1cncnc1CO PB12296 [0,0,0,0,0,0|2,0,0]=2 58 B8R1.2 c1cnncc1C#N PB16131 [0,0,0,0,0,0|3,0,1]=4 59 B8R1.2 c1cnncc1C=O PB17346 [0,0,0,0,0,0|2,0,2]=4 60 B8R1.2 c1cnncc1CN PB31361 [0,0,0,0,0,0|3,0,0]=3 61 B8R1.2 c1cnncc1CO PB26178 [0,0,0,0,0,0|2,0,0]=2 62 B8R1.2 c1ncnc(n1)CCl AB73492 [0,0,0,0,0,0|4,0,0]=4 63 B8R1.2 c1ncnc(n1)CN AB60787 [0,0,0,0,0,0|4,0,0]=4 64 B7R1.3 Cc1cccnn1 PB33649 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.3 Cc1ccncn1 PB17038 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.3 Cc1ccnnc1 PB24546 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.3 Cc1nccnn1 AB55984 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.3 c1c(cncn1)Br PB28945 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.3 c1c(cncn1)Cl AB16528 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.3 c1c(cncn1)N PB12745 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.3 c1c(cncn1)O PB27730 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.3 c1cc(cnc1)Br AB00739 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.3 c1cc(cnc1)I AB01382 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.3 c1cc(cnc1)[O-] MB00567 [1,0,0,0,0,0|1,0,1]=3 75 B7R1.3 c1cc(nnc1)Br MB08580 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.3 c1cc(nnc1)Cl AB30021 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.3 c1cc(nnc1)Cl PB34726 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.3 c1cc(nnc1)N PB17217 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.3 c1cc(nnc1)O PB32258 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.3 c1ccnc(c1)Br AB00627 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.3 c1cnc(cn1)Br MB06072 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.3 c1cnc(cn1)I AB08841 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.3 c1cnc(cn1)N PB30528 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.3 c1cnc(cn1)O AB05056 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.3 c1cnc(nc1)Cl AB00572 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.3 c1cnc(nc1)N MB00175 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.3 c1cnccc1Br AB05093 [1,0,0,0,0,0|2,0,0]=3 88 B7R1.3 c1cnccc1I AB10861 [1,0,0,0,0,0|2,0,0]=3 89 B7R1.3 c1cnccc1O PB17041 [1,0,0,0,0,0|1,0,0]=2 90 B7R1.3 c1cncnc1Br PB10690 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.3 c1cncnc1Cl AB43600 [1,0,0,0,0,0|3,0,0]=4 92 B7R1.3 c1cncnc1Cl PB13479 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.3 c1cncnc1N PB11581 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.3 c1cncnc1O PB32093 [1,0,0,0,0,0|2,0,0]=3 95 B7R1.3 c1cnncc1Br AB48350 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.3 c1cnncc1Cl AB50535 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.3 c1cnncc1I AB70137 [1,0,0,0,0,0|3,0,0]=4 98 B7R1.3 c1cnncc1N PB29051 [1,0,0,0,0,0|3,0,0]=4 99 B7R1.3 c1cnncc1N PB39062 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.1 C#Cc1ccc(cc1)Cl PB21668 [0,1,0,0,0,0|1,0,1]=3 101 B9R1.1 C#Cc1ccc(cn1)Br AB13647 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.1 C#Cc1ccc(cn1)Cl AB68972 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.1 C#Cc1ccc(nc1)Br AB68991 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.1 C#Cc1ccc(nc1)Cl AB61374 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.1 C#Cc1ccc(nc1)F AB66584 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.1 C#Cc1ccc(nc1)N AB66565 [0,1,0,0,0,0|2,0,1]=4 107 B9R1.1 C#Cc1ccc(nc1)O AB69001 [0,1,0,0,0,0|2,0,1]=4 108 B9R1.1 C1C=C(C=NC1=O)CN PB26360 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.1 CCc1ccc(cn1)N AB63590 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.1 CCc1ccc(cn1)O MB03842 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.1 CCc1ccc(nc1)Br MB10294 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.1 CCc1cnc(cn1)Br AB64001 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.1 CCc1cnc(cn1)Cl AB73111 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.1 CCc1cnc(cn1)N AB60527 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.1 CCc1cnc(nc1)Cl PB27514 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.1 CCc1cnc(nc1)N AB51220 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.1 CCc1ncc(cn1)N PB12017 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.1 CNc1ccc(cn1)Br AB44353 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.1 CNc1ccc(cn1)Cl AB07756 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.1 CNc1ccc(cn1)O AB69733 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.1 CNc1ccc(nc1)Br MB01005 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.1 CNc1ccc(nc1)Cl AB60605 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.1 COc1cc[n+](cc1)[O-] AB00619 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.1 COc1ccc(cn1)Br AB08771 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.1 COc1ccc(cn1)Cl AB23682 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.1 COc1ccc(cn1)F AB13611 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.1 COc1ccc(cn1)N PB27370 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.1 COc1ccc(cn1)O CB10969 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.1 COc1ccc(nc1)Br PB22062 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.1 COc1ccc(nc1)Cl AB25956 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.1 COc1ccc(nc1)F AB66773 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.1 COc1ccc(nc1)I AB11726 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.1 COc1ccc(nc1)N PB14487 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.1 CSc1ccc(cn1)Br AB14151 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.1 CSc1ccc(cn1)O MB25590 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.1 CSc1ccc(nc1)Br MB03440 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.1 Cc1ccc(cn1)C#N PB30561 [0,1,0,0,0,0|2,0,1]=4 138 B9R1.1 Cc1ccc(cn1)C=C PB17233 [0,1,0,0,0,0|2,0,1]=4 139 B9R1.1 Cc1ccc(cn1)C=O PB17503 [0,1,0,0,0,0|1,0,2]=4 140 B9R1.1 Cc1ccc(cn1)CCl AB59938 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.1 Cc1ccc(cn1)CN PB20145 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.1 Cc1ccc(cn1)NN PB15841 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.1 Cc1ccc(cn1)OC AB52739 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.1 Cc1ccc(nc1)C=O AB31466 [0,1,0,0,0,0|1,0,2]=4 145 B9R1.1 Cc1ccc(nc1)CCl AB59994 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.1 Cc1ccc(nc1)CN AB48926 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.1 Cc1ccc(nn1)CN PB19500 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.1 Cc1ccc(nn1)CO AB44109 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.1 Cc1cnc(cn1)CCl PB10823 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.1 Cc1cnc(cn1)CN PB33936 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.1 Cc1cnc(nc1)CCl PB19771 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.1 Cc1cnc(nc1)CCl PB31488 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.1 Cc1cnc(nc1)CN PB22419 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.1 Cc1cnc(nc1)CO PB23808 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.1 Cc1ncc(cn1)CCl PB22329 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.1 Cc1ncc(cn1)CN PB14812 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.1 Cc1ncc(cn1)CO PB17615 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl MB03556 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.1 c1c(cnc(n1)CCl)Br PB13284 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.1 c1c(cnc(n1)CCl)Cl PB20469 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.1 c1c(cnc(n1)CCl)F PB11064 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.1 c1c(cnc(n1)CN)Br PB19414 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.1 c1c(cnc(n1)CN)Cl PB32874 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.1 c1c(cnc(n1)CN)F PB31702 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.1 c1c(cnc(n1)CO)Br PB16639 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.1 c1c(cnc(n1)CO)Cl PB28152 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.1 c1c(cnc(n1)CO)F PB28593 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.1 c1c(cnc(n1)Cl)CCl PB13278 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.1 c1c(cnc(n1)Cl)CN PB34524 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.1 c1c(cnc(n1)Cl)CO PB18163 [0,1,0,0,0,0|2,0,0]=3 171 B9R1.1 c1c(cnc(n1)N)CCl AB49671 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.1 c1c(cnc(n1)N)CCl AB52499 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.1 c1c(cnc(n1)N)CN AB58502 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.1 c1c(cnc(n1)N)CO PB23785 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.1 c1c(cnc(n1)O)CN AB58547 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.1 c1c(cnc(n1)O)CO AB63514 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.1 c1c(ncc(n1)Br)CO MB14059 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.1 c1c(ncc(n1)Cl)CCl AB60493 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.1 c1c(ncc(n1)Cl)CN AB62419 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.1 c1c(ncc(n1)Cl)CO PB20569 [0,1,0,0,0,0|2,0,0]=3 181 B9R1.1 c1c[n+](ccc1ON)[O-] AB31589 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.1 c1cc(ccc1CBr)Br AB00113 [0,1,0,0,0,0|1,0,0]=2 183 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [0,1,0,0,0,0|1,0,0]=2 184 B9R1.1 c1cc(ccc1CI)O MB06957 [0,1,0,0,0,0|1,0,0]=2 185 B9R1.1 c1cc(ccc1CN)O AB11678 [0,1,0,0,0,0|1,0,0]=2 186 B9R1.1 c1cc(ncc1Br)C#N PB21694 [0,1,0,0,0,0|2,0,1]=4 187 B9R1.1 c1cc(ncc1Br)C=O PB30785 [0,1,0,0,0,0|1,0,2]=4 188 B9R1.1 c1cc(ncc1Br)CCl AB60010 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.1 c1cc(ncc1Br)CN AB23456 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.1 c1cc(ncc1Br)CO AB66533 [0,1,0,0,0,0|1,0,0]=2 191 B9R1.1 c1cc(ncc1Br)CO PB18645 [0,1,0,0,0,0|1,0,0]=2 192 B9R1.1 c1cc(ncc1C#N)Br AB05142 [0,1,0,0,0,0|2,0,1]=4 193 B9R1.1 c1cc(ncc1C#N)Cl AB03166 [0,1,0,0,0,0|2,0,1]=4 194 B9R1.1 c1cc(ncc1C#N)F PB16124 [0,1,0,0,0,0|2,0,1]=4 195 B9R1.1 c1cc(ncc1C#N)O PB17354 [0,1,0,0,0,0|2,0,1]=4 196 B9R1.1 c1cc(ncc1C=O)Br PB27654 [0,1,0,0,0,0|1,0,2]=4 197 B9R1.1 c1cc(ncc1C=O)Cl PB18586 [0,1,0,0,0,0|1,0,2]=4 198 B9R1.1 c1cc(ncc1C=O)F PB23560 [0,1,0,0,0,0|1,0,2]=4 199 B9R1.1 c1cc(ncc1C=O)N PB19003 [0,1,0,0,0,0|1,0,2]=4 200 B9R1.1 c1cc(ncc1CBr)F PB28287 [0,1,0,0,0,0|2,0,0]=3 201 B9R1.1 c1cc(ncc1CCl)Br AB59933 [0,1,0,0,0,0|2,0,0]=3 202 B9R1.1 c1cc(ncc1CCl)Cl AB03513 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.1 c1cc(ncc1CCl)Cl AB59950 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.1 c1cc(ncc1CCl)F PB13291 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.1 c1cc(ncc1CCl)N AB59930 [0,1,0,0,0,0|2,0,0]=3 206 B9R1.1 c1cc(ncc1CN)Br AB27793 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.1 c1cc(ncc1CN)Cl PB17175 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.1 c1cc(ncc1CN)F PB19133 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.1 c1cc(ncc1CO)Br PB14409 [0,1,0,0,0,0|1,0,0]=2 210 B9R1.1 c1cc(ncc1CO)Cl PB17199 [0,1,0,0,0,0|1,0,0]=2 211 B9R1.1 c1cc(ncc1CO)F PB14327 [0,1,0,0,0,0|1,0,0]=2 212 B9R1.1 c1cc(ncc1CO)N PB26211 [0,1,0,0,0,0|1,0,0]=2 213 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [0,1,0,0,0,0|1,0,2]=4 214 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.1 c1cc(ncc1Cl)CN AB60187 [0,1,0,0,0,0|2,0,0]=3 216 B9R1.1 c1cc(ncc1Cl)CO AB56068 [0,1,0,0,0,0|1,0,0]=2 217 B9R1.1 c1cc(ncc1F)C#N AB48767 [0,1,0,0,0,0|2,0,1]=4 218 B9R1.1 c1cc(ncc1F)C=O AB42648 [0,1,0,0,0,0|1,0,2]=4 219 B9R1.1 c1cc(ncc1F)CCl AB62501 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.1 c1cc(ncc1F)CN AB60189 [0,1,0,0,0,0|2,0,0]=3 221 B9R1.1 c1cc(ncc1F)CO PB22210 [0,1,0,0,0,0|1,0,0]=2 222 B9R1.1 c1cc(ncc1I)C#N MB08761 [0,1,0,0,0,0|2,0,1]=4 223 B9R1.1 c1cc(ncc1N)C#N PB14307 [0,1,0,0,0,0|2,0,1]=4 224 B9R1.1 c1cc(ncc1N)C=O AB67740 [0,1,0,0,0,0|1,0,2]=4 225 B9R1.1 c1cc(ncc1N)CN AB23447 [0,1,0,0,0,0|2,0,0]=3 226 B9R1.1 c1cc(ncc1N)CO AB31872 [0,1,0,0,0,0|1,0,0]=2 227 B9R1.1 c1cc(ncc1O)C#N PB12442 [0,1,0,0,0,0|2,0,1]=4 228 B9R1.1 c1cc(ncc1O)C=O AB59867 [0,1,0,0,0,0|1,0,2]=4 229 B9R1.1 c1cc(ncc1O)CN MB14856 [0,1,0,0,0,0|2,0,0]=3 230 B9R1.1 c1cc(nnc1CCl)Cl PB13303 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.1 c1cc(nnc1CN)Cl AB61132 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.1 c1cc(nnc1CO)Cl PB17910 [0,1,0,0,0,0|2,0,0]=3 233 B9R1.2 C#Cc1cc(ccn1)Br AB68985 [0,1,0,0,0,0|2,0,1]=4 234 B9R1.2 C#Cc1cc(ccn1)Cl AB68983 [0,1,0,0,0,0|2,0,1]=4 235 B9R1.2 C#Cc1cc(cnc1)Br AB61376 [0,1,0,0,0,0|2,0,1]=4 236 B9R1.2 C#Cc1cc(cnc1)Cl AB52703 [0,1,0,0,0,0|2,0,1]=4 237 B9R1.2 C#Cc1cc(cnc1)F AB66583 [0,1,0,0,0,0|2,0,1]=4 238 B9R1.2 C#Cc1cc(cnc1)N AB71894 [0,1,0,0,0,0|2,0,1]=4 239 B9R1.2 C#Cc1cccc(n1)Br AB68980 [0,1,0,0,0,0|2,0,1]=4 240 B9R1.2 C#Cc1cccc(n1)Cl AB68981 [0,1,0,0,0,0|2,0,1]=4 241 B9R1.2 C#Cc1ccnc(c1)Br AB69031 [0,1,0,0,0,0|2,0,1]=4 242 B9R1.2 C#Cc1ccnc(c1)Cl AB69028 [0,1,0,0,0,0|2,0,1]=4 243 B9R1.2 C#Cc1ccnc(c1)N AB69041 [0,1,0,0,0,0|2,0,1]=4 244 B9R1.2 C#Cc1ccnc(c1)O AB69040 [0,1,0,0,0,0|2,0,1]=4 245 B9R1.2 C1C(=CC=NC1=O)CCl AB59907 [0,1,0,0,0,0|2,0,1]=4 246 B9R1.2 C1C(=CC=NC1=O)CN PB31062 [0,1,0,0,0,0|2,0,1]=4 247 B9R1.2 C1C(=CC=NC1=O)CO PB31863 [0,1,0,0,0,0|1,0,1]=3 248 B9R1.2 C=Cc1cccc(n1)Br AB74634 [0,1,0,0,0,0|2,0,1]=4 249 B9R1.2 CCc1cc(ccn1)Br AB63995 [0,1,0,0,0,0|2,0,0]=3 250 B9R1.2 CCc1cc(ccn1)O MB11624 [0,1,0,0,0,0|2,0,0]=3 251 B9R1.2 CCc1cc(cnc1)Br PB34416 [0,1,0,0,0,0|2,0,0]=3 252 B9R1.2 CCc1cc(cnc1)O MB12329 [0,1,0,0,0,0|2,0,0]=3 253 B9R1.2 CCc1cc(ncn1)Br MB09510 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.2 CCc1cc(ncn1)Cl AB51253 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.2 CCc1cc(ncn1)N AB54955 [0,1,0,0,0,0|3,0,0]=4 256 B9R1.2 CCc1cc(ncn1)O AB54953 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.2 CCc1cccc(n1)Br MB10338 [0,1,0,0,0,0|2,0,0]=3 258 B9R1.2 CCc1nccc(n1)Cl AB51249 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.2 CNc1cc(ccn1)Br MB07801 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.2 CNc1cc(ccn1)O MB29569 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.2 CNc1cc(cnc1)Br MB13417 [0,1,0,0,0,0|3,0,0]=4 262 B9R1.2 CNc1cc(cnc1)O MB32689 [0,1,0,0,0,0|3,0,0]=4 263 B9R1.2 CNc1cccc(c1)O MB25493 [0,1,0,0,0,0|2,0,0]=3 264 B9R1.2 CNc1cccc(n1)Br AB50070 [0,1,0,0,0,0|3,0,0]=4 265 B9R1.2 CNc1cccc(n1)Cl AB05190 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.2 CNc1ccnc(c1)Cl AB60612 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.2 COc1cc(ccn1)Br AB44876 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.2 COc1cc(ccn1)Cl AB27571 [0,1,0,0,0,0|3,0,0]=4 269 B9R1.2 COc1cc(ccn1)F AB53299 [0,1,0,0,0,0|3,0,0]=4 270 B9R1.2 COc1cc(ccn1)I MB06098 [0,1,0,0,0,0|3,0,0]=4 271 B9R1.2 COc1cc(ccn1)N PB20942 [0,1,0,0,0,0|3,0,0]=4 272 B9R1.2 COc1cc(ccn1)O MB11972 [0,1,0,0,0,0|3,0,0]=4 273 B9R1.2 COc1cc(cnc1)Br PB24634 [0,1,0,0,0,0|3,0,0]=4 274 B9R1.2 COc1cc(cnc1)Cl AB55073 [0,1,0,0,0,0|3,0,0]=4 275 B9R1.2 COc1cc(cnc1)F AB66777 [0,1,0,0,0,0|3,0,0]=4 276 B9R1.2 COc1cc(cnc1)I AB43793 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.2 COc1cc(cnc1)N PB12653 [0,1,0,0,0,0|3,0,0]=4 278 B9R1.2 COc1cc(cnc1)N PB25488 [0,1,0,0,0,0|3,0,0]=4 279 B9R1.2 COc1cc(cnc1)O AB29711 [0,1,0,0,0,0|3,0,0]=4 280 B9R1.2 COc1cccc(n1)Cl AB00671 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.2 COc1cccc(n1)F AB55818 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.2 COc1cccc(n1)I AB31101 [0,1,0,0,0,0|3,0,0]=4 283 B9R1.2 COc1cccc(n1)N AB21183 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.2 COc1cccc(n1)O AB31854 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.2 COc1ccnc(c1)Br AB23696 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.2 COc1ccnc(c1)Cl AB10868 [0,1,0,0,0,0|3,0,0]=4 287 B9R1.2 COc1ccnc(c1)F AB66367 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.2 COc1ccnc(c1)N AB41933 [0,1,0,0,0,0|3,0,0]=4 289 B9R1.2 CSc1cc(ccn1)Br MB09718 [0,1,0,0,0,0|3,0,0]=4 290 B9R1.2 CSc1cc(ccn1)O MB36936 [0,1,0,0,0,0|3,0,0]=4 291 B9R1.2 CSc1cc(cnc1)Br MB06469 [0,1,0,0,0,0|3,0,0]=4 292 B9R1.2 CSc1cc(cnc1)O MB28894 [0,1,0,0,0,0|3,0,0]=4 293 B9R1.2 CSc1cccc(n1)Br MB07302 [0,1,0,0,0,0|3,0,0]=4 294 B9R1.2 Cc1cc(ccn1)C#C AB66571 [0,1,0,0,0,0|2,0,1]=4 295 B9R1.2 Cc1cc(ccn1)C=O AB24827 [0,1,0,0,0,0|1,0,2]=4 296 B9R1.2 Cc1cc(ccn1)CCl AB59910 [0,1,0,0,0,0|2,0,0]=3 297 B9R1.2 Cc1cc(ccn1)CN AB25370 [0,1,0,0,0,0|2,0,0]=3 298 B9R1.2 Cc1cc(cnc1)C=O PB18860 [0,1,0,0,0,0|1,0,2]=4 299 B9R1.2 Cc1cc(cnc1)CCl AB55820 [0,1,0,0,0,0|2,0,0]=3 300 B9R1.2 Cc1cc(cnc1)CN AB23459 [0,1,0,0,0,0|2,0,0]=3 301 B9R1.2 Cc1cc(cnc1)CO PB10532 [0,1,0,0,0,0|1,0,0]=2 302 B9R1.2 Cc1cc(cnc1)OC AB64998 [0,1,0,0,0,0|3,0,0]=4 303 B9R1.2 Cc1cc(ncn1)CO PB11190 [0,1,0,0,0,0|2,0,0]=3 304 B9R1.2 Cc1cc(nnc1)CN PB37868 [0,1,0,0,0,0|3,0,0]=4 305 B9R1.2 Cc1cccc(n1)C#N AB04512 [0,1,0,0,0,0|2,0,1]=4 306 B9R1.2 Cc1cccc(n1)C=O AB00683 [0,1,0,0,0,0|1,0,2]=4 307 B9R1.2 Cc1cccc(n1)CCl AB49651 [0,1,0,0,0,0|2,0,0]=3 308 B9R1.2 Cc1cccc(n1)CN AB22796 [0,1,0,0,0,0|2,0,0]=3 309 B9R1.2 Cc1cccc(n1)NC AB60602 [0,1,0,0,0,0|3,0,0]=4 310 B9R1.2 Cc1ccnc(c1)C#C AB66576 [0,1,0,0,0,0|2,0,1]=4 311 B9R1.2 Cc1ccnc(c1)C#N AB03610 [0,1,0,0,0,0|2,0,1]=4 312 B9R1.2 Cc1ccnc(c1)CCl AB42303 [0,1,0,0,0,0|2,0,0]=3 313 B9R1.2 Cc1ccnc(c1)CN AB23452 [0,1,0,0,0,0|2,0,0]=3 314 B9R1.2 Cc1ccnc(n1)CCl PB25297 [0,1,0,0,0,0|3,0,0]=4 315 B9R1.2 Cc1ccnc(n1)CN PB16292 [0,1,0,0,0,0|3,0,0]=4 316 B9R1.2 Cc1ccnc(n1)CO PB24151 [0,1,0,0,0,0|2,0,0]=3 317 B9R1.2 Cc1cncc(n1)CCl AB60498 [0,1,0,0,0,0|3,0,0]=4 318 B9R1.2 Cc1cncc(n1)CN AB72296 [0,1,0,0,0,0|3,0,0]=4 319 B9R1.2 Cc1nccc(n1)CCl AB58939 [0,1,0,0,0,0|3,0,0]=4 320 B9R1.2 Cc1nccc(n1)CN AB43194 [0,1,0,0,0,0|3,0,0]=4 321 B9R1.2 c1c(cncc1Br)C#N PB14142 [0,1,0,0,0,0|2,0,1]=4 322 B9R1.2 c1c(cncc1Br)C=O PB10234 [0,1,0,0,0,0|1,0,2]=4 323 B9R1.2 c1c(cncc1Br)CCl AB60029 [0,1,0,0,0,0|2,0,0]=3 324 B9R1.2 c1c(cncc1Br)CCl PB25120 [0,1,0,0,0,0|2,0,0]=3 325 B9R1.2 c1c(cncc1Br)CN PB23445 [0,1,0,0,0,0|2,0,0]=3 326 B9R1.2 c1c(cncc1Br)CO PB29242 [0,1,0,0,0,0|1,0,0]=2 327 B9R1.2 c1c(cncc1Cl)C#N AB14095 [0,1,0,0,0,0|2,0,1]=4 328 B9R1.2 c1c(cncc1Cl)C=O PB29540 [0,1,0,0,0,0|1,0,2]=4 329 B9R1.2 c1c(cncc1Cl)CCl AB60038 [0,1,0,0,0,0|2,0,0]=3 330 B9R1.2 c1c(cncc1Cl)CCl PB33259 [0,1,0,0,0,0|2,0,0]=3 331 B9R1.2 c1c(cncc1Cl)CN AB63152 [0,1,0,0,0,0|2,0,0]=3 332 B9R1.2 c1c(cncc1F)C#N AB49149 [0,1,0,0,0,0|2,0,1]=4 333 B9R1.2 c1c(cncc1F)C=O PB12469 [0,1,0,0,0,0|1,0,2]=4 334 B9R1.2 c1c(cncc1F)CCl PB35002 [0,1,0,0,0,0|2,0,0]=3 335 B9R1.2 c1c(cncc1F)CN PB29533 [0,1,0,0,0,0|2,0,0]=3 336 B9R1.2 c1c(cncc1F)CO PB12255 [0,1,0,0,0,0|1,0,0]=2 337 B9R1.2 c1c(cncc1I)C=O AB45533 [0,1,0,0,0,0|1,0,2]=4 338 B9R1.2 c1c(cncc1I)CCl AB45545 [0,1,0,0,0,0|2,0,0]=3 339 B9R1.2 c1c(cncc1I)CO AB45541 [0,1,0,0,0,0|1,0,0]=2 340 B9R1.2 c1c(cncc1N)C#N AB31378 [0,1,0,0,0,0|2,0,1]=4 341 B9R1.2 c1c(cncc1N)C=O AB67741 [0,1,0,0,0,0|1,0,2]=4 342 B9R1.2 c1c(cncc1N)CN AB31384 [0,1,0,0,0,0|2,0,0]=3 343 B9R1.2 c1c(cncc1N)CO AB31625 [0,1,0,0,0,0|1,0,0]=2 344 B9R1.2 c1c(cncc1O)C#N MB09110 [0,1,0,0,0,0|2,0,1]=4 345 B9R1.2 c1c(cncc1O)C=O AB67779 [0,1,0,0,0,0|1,0,2]=4 346 B9R1.2 c1c(cncc1O)CN MB28837 [0,1,0,0,0,0|2,0,0]=3 347 B9R1.2 c1c(nc(cn1)Br)CCl AB69950 [0,1,0,0,0,0|3,0,0]=4 348 B9R1.2 c1c(nc(cn1)Br)CO MB14063 [0,1,0,0,0,0|2,0,0]=3 349 B9R1.2 c1c(nc(cn1)Cl)CCl AB69949 [0,1,0,0,0,0|3,0,0]=4 350 B9R1.2 c1c(nc(cn1)Cl)CN PB19729 [0,1,0,0,0,0|3,0,0]=4 351 B9R1.2 c1c(nc(cn1)Cl)CO PB11152 [0,1,0,0,0,0|2,0,0]=3 352 B9R1.2 c1c(ncnc1Cl)CCl AB58944 [0,1,0,0,0,0|3,0,0]=4 353 B9R1.2 c1c(ncnc1Cl)CO PB11446 [0,1,0,0,0,0|2,0,0]=3 354 B9R1.2 c1c(ncnc1N)CN PB30390 [0,1,0,0,0,0|3,0,0]=4 355 B9R1.2 c1c(ncnc1O)CCl AB59093 [0,1,0,0,0,0|3,0,0]=4 356 B9R1.2 c1cc(c[n+](c1)[O-])CCl AB59951 [0,1,0,0,0,0|2,0,0]=3 357 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [0,1,0,0,0,0|1,0,0]=2 358 B9R1.2 c1cc(cc(c1)Br)NN AB11945 [0,1,0,0,0,0|2,0,0]=3 359 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [0,1,0,0,0,0|1,0,0]=2 360 B9R1.2 c1cc(nc(c1)Br)C#N PB24633 [0,1,0,0,0,0|2,0,1]=4 361 B9R1.2 c1cc(nc(c1)Br)C=O PB27582 [0,1,0,0,0,0|1,0,2]=4 362 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [0,1,0,0,0,0|2,0,0]=3 363 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [0,1,0,0,0,0|2,0,0]=3 364 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [0,1,0,0,0,0|2,0,0]=3 365 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [0,1,0,0,0,0|1,0,0]=2 366 B9R1.2 c1cc(nc(c1)Br)NN AB51209 [0,1,0,0,0,0|3,0,0]=4 367 B9R1.2 c1cc(nc(c1)Cl)C#N AB05877 [0,1,0,0,0,0|2,0,1]=4 368 B9R1.2 c1cc(nc(c1)Cl)C=O AB52723 [0,1,0,0,0,0|1,0,2]=4 369 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [0,1,0,0,0,0|2,0,0]=3 370 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [0,1,0,0,0,0|2,0,0]=3 371 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [0,1,0,0,0,0|1,0,0]=2 372 B9R1.2 c1cc(nc(c1)F)C#N AB50189 [0,1,0,0,0,0|2,0,1]=4 373 B9R1.2 c1cc(nc(c1)F)C=O AB13533 [0,1,0,0,0,0|1,0,2]=4 374 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [0,1,0,0,0,0|2,0,0]=3 375 B9R1.2 c1cc(nc(c1)F)CN AB66365 [0,1,0,0,0,0|2,0,0]=3 376 B9R1.2 c1cc(nc(c1)I)CO AB42511 [0,1,0,0,0,0|1,0,0]=2 377 B9R1.2 c1cc(nc(c1)N)C#N AB62904 [0,1,0,0,0,0|2,0,1]=4 378 B9R1.2 c1cc(nc(c1)N)CO AB53761 [0,1,0,0,0,0|1,0,0]=2 379 B9R1.2 c1cc(nc(c1)O)C#N AB62925 [0,1,0,0,0,0|2,0,1]=4 380 B9R1.2 c1cnc(cc1Br)C#N PB29307 [0,1,0,0,0,0|2,0,1]=4 381 B9R1.2 c1cnc(cc1Br)C=O PB10584 [0,1,0,0,0,0|1,0,2]=4 382 B9R1.2 c1cnc(cc1Br)CCl AB67964 [0,1,0,0,0,0|2,0,0]=3 383 B9R1.2 c1cnc(cc1Br)CN PB17414 [0,1,0,0,0,0|2,0,0]=3 384 B9R1.2 c1cnc(cc1Br)CO PB31388 [0,1,0,0,0,0|1,0,0]=2 385 B9R1.2 c1cnc(cc1C#N)Br AB31306 [0,1,0,0,0,0|2,0,1]=4 386 B9R1.2 c1cnc(cc1C#N)Cl AB04394 [0,1,0,0,0,0|2,0,1]=4 387 B9R1.2 c1cnc(cc1C#N)F AB49151 [0,1,0,0,0,0|2,0,1]=4 388 B9R1.2 c1cnc(cc1C#N)N PB17329 [0,1,0,0,0,0|2,0,1]=4 389 B9R1.2 c1cnc(cc1C#N)O PB20081 [0,1,0,0,0,0|2,0,1]=4 390 B9R1.2 c1cnc(cc1C=O)Br AB17326 [0,1,0,0,0,0|1,0,2]=4 391 B9R1.2 c1cnc(cc1C=O)Cl PB21899 [0,1,0,0,0,0|1,0,2]=4 392 B9R1.2 c1cnc(cc1C=O)F AB24818 [0,1,0,0,0,0|1,0,2]=4 393 B9R1.2 c1cnc(cc1CCl)Br AB65254 [0,1,0,0,0,0|2,0,0]=3 394 B9R1.2 c1cnc(cc1CCl)Cl AB55687 [0,1,0,0,0,0|2,0,0]=3 395 B9R1.2 c1cnc(cc1CCl)Cl AB59906 [0,1,0,0,0,0|2,0,0]=3 396 B9R1.2 c1cnc(cc1CCl)F AB59901 [0,1,0,0,0,0|2,0,0]=3 397 B9R1.2 c1cnc(cc1CN)Br AB31307 [0,1,0,0,0,0|2,0,0]=3 398 B9R1.2 c1cnc(cc1CN)Cl PB15828 [0,1,0,0,0,0|2,0,0]=3 399 B9R1.2 c1cnc(cc1CN)F AB63132 [0,1,0,0,0,0|2,0,0]=3 400 B9R1.2 c1cnc(cc1CN)F AB63135 [0,1,0,0,0,0|2,0,0]=3 401 B9R1.2 c1cnc(cc1CN)N AB23468 [0,1,0,0,0,0|2,0,0]=3 402 B9R1.2 c1cnc(cc1CO)Br AB17330 [0,1,0,0,0,0|1,0,0]=2 403 B9R1.2 c1cnc(cc1CO)Cl PB21002 [0,1,0,0,0,0|1,0,0]=2 404 B9R1.2 c1cnc(cc1CO)N PB33706 [0,1,0,0,0,0|1,0,0]=2 405 B9R1.2 c1cnc(cc1Cl)C#N PB32398 [0,1,0,0,0,0|2,0,1]=4 406 B9R1.2 c1cnc(cc1Cl)C=O PB32513 [0,1,0,0,0,0|1,0,2]=4 407 B9R1.2 c1cnc(cc1Cl)CCl AB42295 [0,1,0,0,0,0|2,0,0]=3 408 B9R1.2 c1cnc(cc1Cl)CCl MB05829 [0,1,0,0,0,0|2,0,0]=3 409 B9R1.2 c1cnc(cc1Cl)CN PB27784 [0,1,0,0,0,0|2,0,0]=3 410 B9R1.2 c1cnc(cc1Cl)CO PB23493 [0,1,0,0,0,0|1,0,0]=2 411 B9R1.2 c1cnc(cc1F)C#N AB52749 [0,1,0,0,0,0|2,0,1]=4 412 B9R1.2 c1cnc(cc1F)C=O AB68024 [0,1,0,0,0,0|1,0,2]=4 413 B9R1.2 c1cnc(cc1F)CCl AB68051 [0,1,0,0,0,0|2,0,0]=3 414 B9R1.2 c1cnc(cc1F)CN AB65162 [0,1,0,0,0,0|2,0,0]=3 415 B9R1.2 c1cnc(cc1N)C#N PB10426 [0,1,0,0,0,0|2,0,1]=4 416 B9R1.2 c1cnc(cc1N)C=O AB68102 [0,1,0,0,0,0|1,0,2]=4 417 B9R1.2 c1cnc(cc1O)C#N MB05241 [0,1,0,0,0,0|2,0,1]=4 418 B9R1.2 c1cnc(cc1O)C=O AB68125 [0,1,0,0,0,0|1,0,2]=4 419 B9R1.2 c1cnc(cc1O)CN MB14853 [0,1,0,0,0,0|2,0,0]=3 420 B9R1.2 c1cnc(nc1CCl)Cl AB58935 [0,1,0,0,0,0|3,0,0]=4 421 B9R1.2 c1cnc(nc1CN)Cl AB58851 [0,1,0,0,0,0|3,0,0]=4 422 B9R1.2 c1cnc(nc1CN)O PB23029 [0,1,0,0,0,0|3,0,0]=4 423 B9R1.2 c1cnc(nc1Cl)CCl AB59104 [0,1,0,0,0,0|3,0,0]=4 424 B9R1.2 c1cnc(nc1Cl)CN AB05129 [0,1,0,0,0,0|3,0,0]=4 425 B9R1.2 c1cnc(nc1Cl)CO AB64233 [0,1,0,0,0,0|2,0,0]=3 426 B9R1.2 c1cnc(nc1N)CCl AB59419 [0,1,0,0,0,0|3,0,0]=4 427 B9R1.2 c1cnc(nc1N)CN AB62661 [0,1,0,0,0,0|3,0,0]=4 428 B9R1.2 c1cnc(nc1O)CCl AB59397 [0,1,0,0,0,0|3,0,0]=4 429 B9R1.2 c1cnc(nc1O)CN AB63186 [0,1,0,0,0,0|3,0,0]=4 430 B9R1.6 B(c1cccnc1)(O)O AB17635 [0,1,0,0,0,0|2,0,0]=3 431 B9R1.6 B(c1cccnc1)(O)O PB14187 [0,1,0,0,0,0|2,0,0]=3 432 B9R1.6 B(c1ccncc1)(O)O AB23111 [0,1,0,0,0,0|2,0,0]=3 433 B9R1.6 B(c1ccncc1)(O)O PB29133 [0,1,0,0,0,0|2,0,0]=3 434 B9R1.6 B(c1cnccn1)(O)O AB48451 [0,1,0,0,0,0|3,0,0]=4 435 B9R1.6 B(c1cncnc1)(O)O PB23323 [0,1,0,0,0,0|3,0,0]=4 436 B9R1.6 C=C(c1ccccn1)Br AB31950 [0,1,0,0,0,0|2,0,1]=4 437 B9R1.6 CC(=O)c1ccccn1 AB00686 [0,1,0,0,0,0|1,0,2]=4 438 B9R1.6 CC(=O)c1cccnc1 AB00750 [0,1,0,0,0,0|1,0,2]=4 439 B9R1.6 CC(=O)c1ccncc1 AB00760 [0,1,0,0,0,0|1,0,2]=4 440 B9R1.6 CC(C)c1ccccn1 PB21659 [0,1,0,0,0,0|2,0,0]=3 441 B9R1.6 CC(c1ccccc1)Cl AB01249 [0,1,0,0,0,0|1,0,0]=2 442 B9R1.6 CC(c1ccccn1)N AB21604 [0,1,0,0,0,0|2,0,0]=3 443 B9R1.6 CC(c1cccnc1)N AB09764 [0,1,0,0,0,0|2,0,0]=3 444 B9R1.6 CC(c1ccncc1)N AB11609 [0,1,0,0,0,0|2,0,0]=3 445 B9R1.6 CC(c1ccncn1)N PB34498 [0,1,0,0,0,0|3,0,0]=4 446 B9R1.6 CC(c1ccnnc1)N PB22705 [0,1,0,0,0,0|3,0,0]=4 447 B9R1.6 CC(c1cnccn1)N PB14922 [0,1,0,0,0,0|3,0,0]=4 448 B9R1.6 CC(c1cncnc1)N PB22435 [0,1,0,0,0,0|3,0,0]=4 449 B9R1.6 CC(c1ncccn1)N AB59468 [0,1,0,0,0,0|3,0,0]=4 450 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [0,1,0,0,0,0|2,0,0]=3 451 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [0,1,0,0,0,0|2,0,0]=3 452 B9R1.6 C[C@@H](c1cncnc1)N PB15383 [0,1,0,0,0,0|3,0,0]=4 453 B9R1.6 C[C@H](c1cccnc1)N AB49734 [0,1,0,0,0,0|2,0,0]=3 454 B9R1.6 C[C@H](c1ccncc1)N AB49745 [0,1,0,0,0,0|2,0,0]=3 455 B9R1.6 C[C@H](c1cncnc1)N PB28768 [0,1,0,0,0,0|3,0,0]=4 456 B9R1.6 c1c(cncn1)C(=O)O PB23195 [0,1,0,0,0,0|2,0,1]=4 457 B9R1.6 c1cc(cnc1)C(F)F AB64034 [0,1,0,0,0,0|2,0,0]=3 458 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [0,1,0,0,0,0|2,0,1]=4 459 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [0,1,0,0,0,0|1,0,1]=3 460 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [0,1,0,0,0,0|2,0,1]=4 461 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [0,1,0,0,0,0|1,0,1]=3 462 B9R1.6 c1ccnc(c1)C(=S)N AB03215 [0,1,0,0,0,0|1,1,1]=4 463 B9R1.6 c1ccnc(c1)C(F)F AB64042 [0,1,0,0,0,0|2,0,0]=3 464 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [0,1,0,0,0,0|2,0,1]=4 465 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [0,1,0,0,0,0|2,0,1]=4 466 B9R1.6 c1cnccc1C(=N)N MB02852 [0,1,0,0,0,0|2,0,1]=4 467 B9R1.6 c1cnccc1C(=O)O AB00757 [0,1,0,0,0,0|1,0,1]=3 468 B9R1.6 c1cnccc1C(=S)N AB00764 [0,1,0,0,0,0|1,1,1]=4 469 B9R1.6 c1cncnc1C(=O)O PB29023 [0,1,0,0,0,0|2,0,1]=4 470 B9R1.6 c1cnncc1C(=O)O PB17054 [0,1,0,0,0,0|2,0,1]=4 471 B9R1.8 C#CCc1ccccn1 AB73234 [0,1,0,0,0,0|2,0,0]=3 472 B9R1.8 C#CCc1cccnc1 AB61408 [0,1,0,0,0,0|2,0,0]=3 473 B9R1.8 CNCc1ccccn1 AB10674 [0,1,0,0,0,0|2,0,0]=3 474 B9R1.8 CNCc1cccnc1 AB01384 [0,1,0,0,0,0|2,0,0]=3 475 B9R1.8 CNCc1ccncc1 AB02721 [0,1,0,0,0,0|2,0,0]=3 476 B9R1.8 CNCc1ccnnc1 PB24326 [0,1,0,0,0,0|3,0,0]=4 477 B9R1.8 CNCc1cnccn1 PB18749 [0,1,0,0,0,0|3,0,0]=4 478 B9R1.8 CNCc1cncnc1 PB33284 [0,1,0,0,0,0|3,0,0]=4 479 B9R1.8 CNCc1ncccn1 PB29842 [0,1,0,0,0,0|3,0,0]=4 480 B9R1.8 c1c(cncn1)CC#N PB22350 [0,1,0,0,0,0|3,0,0]=4 481 B9R1.8 c1c(cncn1)CC=O AB57639 [0,1,0,0,0,0|2,0,1]=4 482 B9R1.8 c1c(cncn1)CCN AB45406 [0,1,0,0,0,0|3,0,0]=4 483 B9R1.8 c1c(cncn1)CNN PB19654 [0,1,0,0,0,0|3,0,0]=4 484 B9R1.8 c1cc(cnc1)CCN AB04606 [0,1,0,0,0,0|2,0,0]=3 485 B9R1.8 c1cc(cnc1)CNN PB16271 [0,1,0,0,0,0|2,0,0]=3 486 B9R1.8 c1cc(cnc1)N=C=O AB08187 [0,1,0,0,0,0|1,0,2]=4 487 B9R1.8 c1cc(nnc1)CC#N PB25604 [0,1,0,0,0,0|3,0,0]=4 488 B9R1.8 c1cc(nnc1)CCN AB61130 [0,1,0,0,0,0|3,0,0]=4 489 B9R1.8 c1cc(nnc1)CNN PB37174 [0,1,0,0,0,0|3,0,0]=4 490 B9R1.8 c1ccc(cc1)NC#N MB01061 [0,1,0,0,0,0|1,0,1]=3 491 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [0,1,0,0,0,0|1,0,1]=3 492 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [0,1,0,0,0,0|0,0,1]=2 493 B9R1.8 c1ccnc(c1)CC#N AB00727 [0,1,0,0,0,0|2,0,0]=3 494 B9R1.8 c1ccnc(c1)CC=O AB61426 [0,1,0,0,0,0|1,0,1]=3 495 B9R1.8 c1ccnc(c1)CCN AB00732 [0,1,0,0,0,0|2,0,0]=3 496 B9R1.8 c1ccnc(c1)CNN PB19014 [0,1,0,0,0,0|2,0,0]=3 497 B9R1.8 c1cnc(cn1)CC#N PB16294 [0,1,0,0,0,0|3,0,0]=4 498 B9R1.8 c1cnc(cn1)CC=O AB57650 [0,1,0,0,0,0|2,0,1]=4 499 B9R1.8 c1cnc(cn1)CCN AB22666 [0,1,0,0,0,0|3,0,0]=4 500 B9R1.8 c1cnc(cn1)CNN PB20222 [0,1,0,0,0,0|3,0,0]=4 501 B9R1.8 c1cnc(cn1)\C=N\O AB84941 [0,1,0,0,0,0|2,0,1]=4 502 B9R1.8 c1cnc(nc1)CC#N PB12692 [0,1,0,0,0,0|3,0,0]=4 503 B9R1.8 c1cnc(nc1)CC=O AB57641 [0,1,0,0,0,0|2,0,1]=4 504 B9R1.8 c1cnc(nc1)CCN AB55156 [0,1,0,0,0,0|3,0,0]=4 505 B9R1.8 c1cnc(nc1)CNN PB21406 [0,1,0,0,0,0|3,0,0]=4 506 B9R1.8 c1cnccc1CCN AB01702 [0,1,0,0,0,0|2,0,0]=3 507 B9R1.8 c1cnccc1CNN PB10342 [0,1,0,0,0,0|2,0,0]=3 508 B9R1.8 c1cnccc1N=C=O AB44989 [0,1,0,0,0,0|1,0,2]=4 509 B9R1.8 c1cncnc1CC#N PB22811 [0,1,0,0,0,0|3,0,0]=4 510 B9R1.8 c1cncnc1CC=O AB57648 [0,1,0,0,0,0|2,0,1]=4 511 B9R1.8 c1cncnc1CCN PB14818 [0,1,0,0,0,0|3,0,0]=4 512 B9R1.8 c1cnncc1CC#N PB25603 [0,1,0,0,0,0|3,0,0]=4 513 B9R1.8 c1cnncc1CCN AB62610 [0,1,0,0,0,0|3,0,0]=4 514 B9R1.8 c1cnncc1CNN PB35490 [0,1,0,0,0,0|3,0,0]=4 515 B9R1.15 C#Cc1ccccc1Br AB10375 [0,1,0,0,0,0|1,0,1]=3 516 B9R1.15 C#Cc1cccnc1Br AB69072 [0,1,0,0,0,0|2,0,1]=4 517 B9R1.15 C#Cc1cccnc1Cl AB69069 [0,1,0,0,0,0|2,0,1]=4 518 B9R1.15 C#Cc1cccnc1N AB66567 [0,1,0,0,0,0|2,0,1]=4 519 B9R1.15 C#Cc1cccnc1O AB69073 [0,1,0,0,0,0|2,0,1]=4 520 B9R1.15 C#Cc1ccncc1Cl AB69087 [0,1,0,0,0,0|2,0,1]=4 521 B9R1.15 C#Cc1ccncc1F AB69094 [0,1,0,0,0,0|2,0,1]=4 522 B9R1.15 C#Cc1ccncc1N AB69092 [0,1,0,0,0,0|2,0,1]=4 523 B9R1.15 C#Cc1cnccc1Br AB69055 [0,1,0,0,0,0|2,0,1]=4 524 B9R1.15 C#Cc1cnccc1Cl AB69058 [0,1,0,0,0,0|2,0,1]=4 525 B9R1.15 CCc1c(cccn1)Br AB68544 [0,1,0,0,0,0|2,0,0]=3 526 B9R1.15 CCc1c(cccn1)O MB01433 [0,1,0,0,0,0|2,0,0]=3 527 B9R1.15 CCc1c(cncn1)F PB21906 [0,1,0,0,0,0|3,0,0]=4 528 B9R1.15 CCc1ccncc1O MB12325 [0,1,0,0,0,0|2,0,0]=3 529 B9R1.15 CCc1cnccc1Br PB37149 [0,1,0,0,0,0|2,0,0]=3 530 B9R1.15 CCc1cnccc1O MB24095 [0,1,0,0,0,0|2,0,0]=3 531 B9R1.15 CCc1cncnc1Cl AB62552 [0,1,0,0,0,0|3,0,0]=4 532 B9R1.15 CNc1cccnc1Br AB39252 [0,1,0,0,0,0|3,0,0]=4 533 B9R1.15 CNc1ccncc1O MB27525 [0,1,0,0,0,0|3,0,0]=4 534 B9R1.15 CNc1cnccc1O MB29366 [0,1,0,0,0,0|3,0,0]=4 535 B9R1.15 COc1c(cccn1)Br PB20024 [0,1,0,0,0,0|3,0,0]=4 536 B9R1.15 COc1c(cccn1)Cl AB13603 [0,1,0,0,0,0|3,0,0]=4 537 B9R1.15 COc1c(cccn1)F AB13397 [0,1,0,0,0,0|3,0,0]=4 538 B9R1.15 COc1c(cccn1)I AB13400 [0,1,0,0,0,0|3,0,0]=4 539 B9R1.15 COc1c(cccn1)N AB07386 [0,1,0,0,0,0|3,0,0]=4 540 B9R1.15 COc1c(cccn1)O AB06074 [0,1,0,0,0,0|3,0,0]=4 541 B9R1.15 COc1cccnc1Br PB29151 [0,1,0,0,0,0|3,0,0]=4 542 B9R1.15 COc1cccnc1Cl AB14749 [0,1,0,0,0,0|3,0,0]=4 543 B9R1.15 COc1cccnc1I AB05182 [0,1,0,0,0,0|3,0,0]=4 544 B9R1.15 COc1cccnc1N AB40614 [0,1,0,0,0,0|3,0,0]=4 545 B9R1.15 COc1cccnc1O AB43293 [0,1,0,0,0,0|3,0,0]=4 546 B9R1.15 COc1ccncc1Br AB22230 [0,1,0,0,0,0|3,0,0]=4 547 B9R1.15 COc1ccncc1Cl AB51203 [0,1,0,0,0,0|3,0,0]=4 548 B9R1.15 COc1ccncc1F AB66775 [0,1,0,0,0,0|3,0,0]=4 549 B9R1.15 COc1ccncc1I AB09106 [0,1,0,0,0,0|3,0,0]=4 550 B9R1.15 COc1ccncc1N AB40817 [0,1,0,0,0,0|3,0,0]=4 551 B9R1.15 COc1ccncc1O MB09117 [0,1,0,0,0,0|3,0,0]=4 552 B9R1.15 COc1cnccc1Br AB43705 [0,1,0,0,0,0|3,0,0]=4 553 B9R1.15 COc1cnccc1Br MB09674 [0,1,0,0,0,0|3,0,0]=4 554 B9R1.15 COc1cnccc1Cl AB66368 [0,1,0,0,0,0|3,0,0]=4 555 B9R1.15 COc1cnccc1F AB66590 [0,1,0,0,0,0|3,0,0]=4 556 B9R1.15 COc1cnccc1N AB55709 [0,1,0,0,0,0|3,0,0]=4 557 B9R1.15 COc1cnccc1O MB25455 [0,1,0,0,0,0|3,0,0]=4 558 B9R1.15 CSc1c(cccn1)O MB01598 [0,1,0,0,0,0|3,0,0]=4 559 B9R1.15 CSc1cccnc1Br MB13966 [0,1,0,0,0,0|3,0,0]=4 560 B9R1.15 CSc1ccncc1O MB25632 [0,1,0,0,0,0|3,0,0]=4 561 B9R1.15 CSc1cnccc1O MB31499 [0,1,0,0,0,0|3,0,0]=4 562 B9R1.15 Cc1c(cccn1)C#C AB66573 [0,1,0,0,0,0|2,0,1]=4 563 B9R1.15 Cc1c(cccn1)C#N PB23449 [0,1,0,0,0,0|2,0,1]=4 564 B9R1.15 Cc1c(cccn1)C=O PB27878 [0,1,0,0,0,0|1,0,2]=4 565 B9R1.15 Cc1c(cccn1)CBr PB19196 [0,1,0,0,0,0|2,0,0]=3 566 B9R1.15 Cc1c(cccn1)CCl AB51469 [0,1,0,0,0,0|2,0,0]=3 567 B9R1.15 Cc1c(cccn1)CCl PB28159 [0,1,0,0,0,0|2,0,0]=3 568 B9R1.15 Cc1c(cccn1)CN AB14093 [0,1,0,0,0,0|2,0,0]=3 569 B9R1.15 Cc1c(cccn1)CO AB01512 [0,1,0,0,0,0|1,0,0]=2 570 B9R1.15 Cc1c(cccn1)OC AB03569 [0,1,0,0,0,0|3,0,0]=4 571 B9R1.15 Cc1c(nccn1)CCl PB22746 [0,1,0,0,0,0|3,0,0]=4 572 B9R1.15 Cc1c(nccn1)CN PB38635 [0,1,0,0,0,0|3,0,0]=4 573 B9R1.15 Cc1c(nccn1)CO PB22269 [0,1,0,0,0,0|2,0,0]=3 574 B9R1.15 Cc1cccnc1C=O PB14292 [0,1,0,0,0,0|1,0,2]=4 575 B9R1.15 Cc1cccnc1CCl PB32645 [0,1,0,0,0,0|2,0,0]=3 576 B9R1.15 Cc1cccnc1CN AB20671 [0,1,0,0,0,0|2,0,0]=3 577 B9R1.15 Cc1cccnc1CO AB12590 [0,1,0,0,0,0|1,0,0]=2 578 B9R1.15 Cc1cccnc1OC AB31414 [0,1,0,0,0,0|3,0,0]=4 579 B9R1.15 Cc1ccncc1C#C AB66569 [0,1,0,0,0,0|2,0,1]=4 580 B9R1.15 Cc1ccncc1C#N PB24636 [0,1,0,0,0,0|2,0,1]=4 581 B9R1.15 Cc1ccncc1C=O PB23498 [0,1,0,0,0,0|1,0,2]=4 582 B9R1.15 Cc1ccncc1CCl PB22427 [0,1,0,0,0,0|2,0,0]=3 583 B9R1.15 Cc1ccncc1CN PB14440 [0,1,0,0,0,0|2,0,0]=3 584 B9R1.15 Cc1ccncc1CO PB21746 [0,1,0,0,0,0|1,0,0]=2 585 B9R1.15 Cc1ccnnc1CN PB36913 [0,1,0,0,0,0|3,0,0]=4 586 B9R1.15 Cc1cnccc1C#C AB66570 [0,1,0,0,0,0|2,0,1]=4 587 B9R1.15 Cc1cnccc1C#N PB23623 [0,1,0,0,0,0|2,0,1]=4 588 B9R1.15 Cc1cnccc1C=O AB11481 [0,1,0,0,0,0|1,0,2]=4 589 B9R1.15 Cc1cnccc1CCl PB24122 [0,1,0,0,0,0|2,0,0]=3 590 B9R1.15 Cc1cnccc1CN AB17090 [0,1,0,0,0,0|2,0,0]=3 591 B9R1.15 Cc1cnccc1CO PB32359 [0,1,0,0,0,0|1,0,0]=2 592 B9R1.15 Cc1cnncc1CN PB36093 [0,1,0,0,0,0|3,0,0]=4 593 B9R1.15 c1c(c(ncn1)N)CCl AB85293 [0,1,0,0,0,0|3,0,0]=4 594 B9R1.15 c1cc(c(nc1)Br)C#N AB05139 [0,1,0,0,0,0|2,0,1]=4 595 B9R1.15 c1cc(c(nc1)Br)C=O AB20862 [0,1,0,0,0,0|1,0,2]=4 596 B9R1.15 c1cc(c(nc1)Br)CBr MB06085 [0,1,0,0,0,0|2,0,0]=3 597 B9R1.15 c1cc(c(nc1)Br)CCl AB60077 [0,1,0,0,0,0|2,0,0]=3 598 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [0,1,0,0,0,0|2,0,0]=3 599 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [0,1,0,0,0,0|1,0,0]=2 600 B9R1.15 c1cc(c(nc1)C#N)Br PB24769 [0,1,0,0,0,0|2,0,1]=4 601 B9R1.15 c1cc(c(nc1)C#N)Cl PB17324 [0,1,0,0,0,0|2,0,1]=4 602 B9R1.15 c1cc(c(nc1)C#N)F PB17393 [0,1,0,0,0,0|2,0,1]=4 603 B9R1.15 c1cc(c(nc1)C#N)N PB18562 [0,1,0,0,0,0|2,0,1]=4 604 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [0,1,0,0,0,0|1,0,2]=4 605 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [0,1,0,0,0,0|1,0,2]=4 606 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [0,1,0,0,0,0|1,0,2]=4 607 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [0,1,0,0,0,0|1,0,2]=4 608 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [0,1,0,0,0,0|2,0,0]=3 609 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [0,1,0,0,0,0|2,0,0]=3 610 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [0,1,0,0,0,0|2,0,0]=3 611 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [0,1,0,0,0,0|2,0,0]=3 612 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [0,1,0,0,0,0|2,0,0]=3 613 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [0,1,0,0,0,0|2,0,0]=3 614 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [0,1,0,0,0,0|2,0,0]=3 615 B9R1.15 c1cc(c(nc1)CN)F AB55320 [0,1,0,0,0,0|2,0,0]=3 616 B9R1.15 c1cc(c(nc1)CN)F PB13118 [0,1,0,0,0,0|2,0,0]=3 617 B9R1.15 c1cc(c(nc1)CN)N AB48448 [0,1,0,0,0,0|2,0,0]=3 618 B9R1.15 c1cc(c(nc1)CN)O MB01728 [0,1,0,0,0,0|2,0,0]=3 619 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [0,1,0,0,0,0|1,0,0]=2 620 B9R1.15 c1cc(c(nc1)CO)F PB22208 [0,1,0,0,0,0|1,0,0]=2 621 B9R1.15 c1cc(c(nc1)CO)N AB31896 [0,1,0,0,0,0|1,0,0]=2 622 B9R1.15 c1cc(c(nc1)CO)O MB00702 [0,1,0,0,0,0|1,0,0]=2 623 B9R1.15 c1cc(c(nc1)Cl)C#N AB01170 [0,1,0,0,0,0|2,0,1]=4 624 B9R1.15 c1cc(c(nc1)Cl)C=O PB27532 [0,1,0,0,0,0|1,0,2]=4 625 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [0,1,0,0,0,0|2,0,0]=3 626 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [0,1,0,0,0,0|1,0,0]=2 627 B9R1.15 c1cc(c(nc1)F)C=O AB13640 [0,1,0,0,0,0|1,0,2]=4 628 B9R1.15 c1cc(c(nc1)F)CCl AB60073 [0,1,0,0,0,0|2,0,0]=3 629 B9R1.15 c1cc(c(nc1)F)CN AB23466 [0,1,0,0,0,0|2,0,0]=3 630 B9R1.15 c1cc(c(nc1)N)C#N AB03606 [0,1,0,0,0,0|2,0,1]=4 631 B9R1.15 c1cc(c(nc1)N)C=O AB09963 [0,1,0,0,0,0|1,0,2]=4 632 B9R1.15 c1cc(c(nc1)N)CCl AB21190 [0,1,0,0,0,0|2,0,0]=3 633 B9R1.15 c1cc(c(nc1)N)CO PB32383 [0,1,0,0,0,0|1,0,0]=2 634 B9R1.15 c1cc(c(nc1)NN)Br MB01287 [0,1,0,0,0,0|3,0,0]=4 635 B9R1.15 c1cc(c(nc1)O)C#N PB21004 [0,1,0,0,0,0|2,0,1]=4 636 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [0,1,0,0,0,0|1,0,2]=4 637 B9R1.15 c1cc(c(nc1)O)CO AB52938 [0,1,0,0,0,0|1,0,0]=2 638 B9R1.15 c1cc[n+](c(c1)CCl)[O-] AB59958 [0,1,0,0,0,0|2,0,0]=3 639 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [0,1,0,0,0,0|0,0,2]=3 640 B9R1.15 c1ccc(c(c1)CI)O MB07048 [0,1,0,0,0,0|1,0,0]=2 641 B9R1.15 c1ccc(c(c1)CN)O MB01565 [0,1,0,0,0,0|1,0,0]=2 642 B9R1.15 c1cn[nH]c(=O)c1CN PB11396 [0,1,0,0,0,0|3,0,0]=4 643 B9R1.15 c1cnc(c(n1)CCl)Cl PB22753 [0,1,0,0,0,0|3,0,0]=4 644 B9R1.15 c1cnc(c(n1)CN)Cl PB12787 [0,1,0,0,0,0|3,0,0]=4 645 B9R1.15 c1cnc(c(n1)CN)N AB53146 [0,1,0,0,0,0|3,0,0]=4 646 B9R1.15 c1cnc(c(n1)CO)Cl PB33021 [0,1,0,0,0,0|2,0,0]=3 647 B9R1.15 c1cncc(c1Br)C#N AB48189 [0,1,0,0,0,0|2,0,1]=4 648 B9R1.15 c1cncc(c1Br)C=O AB25683 [0,1,0,0,0,0|1,0,2]=4 649 B9R1.15 c1cncc(c1Br)C=O AB53933 [0,1,0,0,0,0|1,0,2]=4 650 B9R1.15 c1cncc(c1Br)CCl AB67965 [0,1,0,0,0,0|2,0,0]=3 651 B9R1.15 c1cncc(c1Br)CN AB67954 [0,1,0,0,0,0|2,0,0]=3 652 B9R1.15 c1cncc(c1C#N)Br AB05148 [0,1,0,0,0,0|2,0,1]=4 653 B9R1.15 c1cncc(c1C#N)Cl AB21895 [0,1,0,0,0,0|2,0,1]=4 654 B9R1.15 c1cncc(c1C#N)N AB16955 [0,1,0,0,0,0|2,0,1]=4 655 B9R1.15 c1cncc(c1C#N)O MB12322 [0,1,0,0,0,0|2,0,1]=4 656 B9R1.15 c1cncc(c1C=O)Br PB17335 [0,1,0,0,0,0|1,0,2]=4 657 B9R1.15 c1cncc(c1C=O)Cl AB23043 [0,1,0,0,0,0|1,0,2]=4 658 B9R1.15 c1cncc(c1C=O)F PB32422 [0,1,0,0,0,0|1,0,2]=4 659 B9R1.15 c1cncc(c1C=O)N PB20170 [0,1,0,0,0,0|1,0,2]=4 660 B9R1.15 c1cncc(c1C=O)O AB08714 [0,1,0,0,0,0|1,0,2]=4 661 B9R1.15 c1cncc(c1CCl)Br AB67648 [0,1,0,0,0,0|2,0,0]=3 662 B9R1.15 c1cncc(c1CCl)Cl AB67608 [0,1,0,0,0,0|2,0,0]=3 663 B9R1.15 c1cncc(c1CCl)F AB67665 [0,1,0,0,0,0|2,0,0]=3 664 B9R1.15 c1cncc(c1CN)Br AB63141 [0,1,0,0,0,0|2,0,0]=3 665 B9R1.15 c1cncc(c1CN)Cl AB63139 [0,1,0,0,0,0|2,0,0]=3 666 B9R1.15 c1cncc(c1CN)F AB63136 [0,1,0,0,0,0|2,0,0]=3 667 B9R1.15 c1cncc(c1CN)N AB49287 [0,1,0,0,0,0|2,0,0]=3 668 B9R1.15 c1cncc(c1CN)O MB09249 [0,1,0,0,0,0|2,0,0]=3 669 B9R1.15 c1cncc(c1CO)Br PB19192 [0,1,0,0,0,0|1,0,0]=2 670 B9R1.15 c1cncc(c1CO)F PB29849 [0,1,0,0,0,0|1,0,0]=2 671 B9R1.15 c1cncc(c1CO)N AB25787 [0,1,0,0,0,0|1,0,0]=2 672 B9R1.15 c1cncc(c1Cl)C#N AB43637 [0,1,0,0,0,0|2,0,1]=4 673 B9R1.15 c1cncc(c1Cl)C=O AB17590 [0,1,0,0,0,0|1,0,2]=4 674 B9R1.15 c1cncc(c1Cl)CCl AB60091 [0,1,0,0,0,0|2,0,0]=3 675 B9R1.15 c1cncc(c1Cl)CN AB49675 [0,1,0,0,0,0|2,0,0]=3 676 B9R1.15 c1cncc(c1F)C#N AB17580 [0,1,0,0,0,0|2,0,1]=4 677 B9R1.15 c1cncc(c1F)C=O AB32109 [0,1,0,0,0,0|1,0,2]=4 678 B9R1.15 c1cncc(c1F)CCl AB68054 [0,1,0,0,0,0|2,0,0]=3 679 B9R1.15 c1cncc(c1F)CN AB68023 [0,1,0,0,0,0|2,0,0]=3 680 B9R1.15 c1cncc(c1N)C#N AB16952 [0,1,0,0,0,0|2,0,1]=4 681 B9R1.15 c1cncc(c1N)C=O AB12471 [0,1,0,0,0,0|1,0,2]=4 682 B9R1.15 c1cncc(c1N)C=O PB27639 [0,1,0,0,0,0|1,0,2]=4 683 B9R1.15 c1cncc(c1N)CCl AB31893 [0,1,0,0,0,0|2,0,0]=3 684 B9R1.15 c1cncc(c1N)CO PB14435 [0,1,0,0,0,0|1,0,0]=2 685 B9R1.15 c1cncc(c1O)C#N MB01597 [0,1,0,0,0,0|2,0,1]=4 686 B9R1.15 c1cncc(c1O)C=O AB59870 [0,1,0,0,0,0|1,0,2]=4 687 B9R1.15 c1cncc(c1O)CN MB35531 [0,1,0,0,0,0|2,0,0]=3 688 B7R1.1 C1=NC=NC1CO PB24669 [0,0,0,0,1,0|2,0,1]=4 689 B7R1.1 C1=NN=CC1CO PB34185 [0,0,0,0,1,0|2,0,1]=4 690 B7R1.1 C1C=C(N=N1)CO CB12075 [0,0,0,0,1,0|2,0,1]=4 691 B7R1.1 C1C=C(N=N1)CO PB23601 [0,0,0,0,1,0|2,0,1]=4 692 B7R1.1 C1C=CCC1CO PB12789 [0,0,0,0,1,0|0,0,3]=4 693 B7R1.1 C1C=NC(=N1)CO AB23143 [0,0,0,0,1,0|2,0,1]=4 694 B7R1.1 CCC1=CN=CC1 AB31265 [0,0,0,0,1,0|2,0,1]=4 695 B7R1.1 c1c(con1)CN AB28201 [0,0,0,0,1,0|3,0,0]=4 696 B7R1.1 c1c(con1)CN PB34298 [0,0,0,0,1,0|3,0,0]=4 697 B7R1.1 c1c(con1)CO PB14463 [0,0,0,0,1,0|2,0,0]=3 698 B7R1.1 c1c(csn1)CCl AB74096 [0,0,0,0,1,0|3,0,0]=4 699 B7R1.1 c1c(csn1)CN AB62615 [0,0,0,0,1,0|3,0,0]=4 700 B7R1.1 c1c(nco1)CCl AB71585 [0,0,0,0,1,0|3,0,0]=4 701 B7R1.1 c1c(nco1)CN PB29323 [0,0,0,0,1,0|3,0,0]=4 702 B7R1.1 c1c(nco1)CO PB29559 [0,0,0,0,1,0|2,0,0]=3 703 B7R1.1 c1c(ncs1)CCl AB10919 [0,0,0,0,1,0|3,0,0]=4 704 B7R1.1 c1c(ncs1)CN AB27866 [0,0,0,0,1,0|3,0,0]=4 705 B7R1.1 c1c(ncs1)CN PB21996 [0,0,0,0,1,0|3,0,0]=4 706 B7R1.1 c1c(ncs1)CO AB20478 [0,0,0,0,1,0|2,0,0]=3 707 B7R1.1 c1c(ocn1)CCl AB42450 [0,0,0,0,1,0|3,0,0]=4 708 B7R1.1 c1c(ocn1)CN AB30442 [0,0,0,0,1,0|3,0,0]=4 709 B7R1.1 c1c(ocn1)CO PB32681 [0,0,0,0,1,0|2,0,0]=3 710 B7R1.1 c1c(scn1)CCl AB64977 [0,0,0,0,1,0|3,0,0]=4 711 B7R1.1 c1c(scn1)CN AB27929 [0,0,0,0,1,0|3,0,0]=4 712 B7R1.1 c1c(scn1)CN PB32316 [0,0,0,0,1,0|3,0,0]=4 713 B7R1.1 c1c(scn1)CO AB20492 [0,0,0,0,1,0|2,0,0]=3 714 B7R1.1 c1cc(oc1)C#N AB00309 [0,0,0,0,1,0|2,0,1]=4 715 B7R1.1 c1cc(oc1)CCl MB06568 [0,0,0,0,1,0|2,0,0]=3 716 B7R1.1 c1cc(sc1)CN PB17027 [0,0,0,0,1,0|2,0,0]=3 717 B7R1.1 c1cc(sc1)CO PB10001 [0,0,0,0,1,0|1,0,0]=2 718 B7R1.1 c1cnoc1CN AB27950 [0,0,0,0,1,0|3,0,0]=4 719 B7R1.1 c1cnoc1CN AB27954 [0,0,0,0,1,0|3,0,0]=4 720 B7R1.1 c1cnoc1CO AB28102 [0,0,0,0,1,0|2,0,0]=3 721 B7R1.1 c1cnsc1CCl AB70841 [0,0,0,0,1,0|3,0,0]=4 722 B7R1.1 c1cnsc1CN AB70840 [0,0,0,0,1,0|3,0,0]=4 723 B7R1.1 c1coc(n1)CCl AB19278 [0,0,0,0,1,0|3,0,0]=4 724 B7R1.1 c1coc(n1)CN AB19275 [0,0,0,0,1,0|3,0,0]=4 725 B7R1.1 c1coc(n1)CN AB28202 [0,0,0,0,1,0|3,0,0]=4 726 B7R1.1 c1coc(n1)CO PB27948 [0,0,0,0,1,0|2,0,0]=3 727 B7R1.1 c1conc1CCl MB04274 [0,0,0,0,1,0|3,0,0]=4 728 B7R1.1 c1conc1CN PB24935 [0,0,0,0,1,0|3,0,0]=4 729 B7R1.1 c1conc1CO PB15902 [0,0,0,0,1,0|2,0,0]=3 730 B7R1.1 c1csc(n1)CCl AB42463 [0,0,0,0,1,0|3,0,0]=4 731 B7R1.1 c1csc(n1)CN MB03193 [0,0,0,0,1,0|3,0,0]=4 732 B7R1.1 c1csc(n1)CN PB20005 [0,0,0,0,1,0|3,0,0]=4 733 B7R1.1 c1cscc1C#N PB27442 [0,0,0,0,1,0|2,0,1]=4 734 B7R1.1 c1cscc1C=O PB14065 [0,0,0,0,1,0|1,0,2]=4 735 B7R1.1 c1cscc1CN AB13999 [0,0,0,0,1,0|2,0,0]=3 736 B7R1.1 c1cscc1CN PB12237 [0,0,0,0,1,0|2,0,0]=3 737 B7R1.1 c1cscc1CO PB10036 [0,0,0,0,1,0|1,0,0]=2 738 B7R1.1 c1csnc1CN PB23687 [0,0,0,0,1,0|3,0,0]=4 739 B7R1.1 c1nnc(s1)CO PB21867 [0,0,0,0,1,0|3,0,0]=4 740 B8R1.3 Cc1ccc(=O)[nH]n1 PB21643 [1,1,0,0,0,0|2,0,0]=4 741 B8R1.3 Cc1ccc(cn1)Br AB06624 [1,1,0,0,0,0|1,0,0]=3 742 B8R1.3 Cc1ccc(cn1)Cl AB17956 [1,1,0,0,0,0|1,0,0]=3 743 B8R1.3 Cc1ccc(cn1)F PB18589 [1,1,0,0,0,0|1,0,0]=3 744 B8R1.3 Cc1ccc(cn1)N PB32227 [1,1,0,0,0,0|1,0,0]=3 745 B8R1.3 Cc1ccc(cn1)O PB30543 [1,1,0,0,0,0|1,0,0]=3 746 B8R1.3 Cc1ccc(nc1)Br PB17145 [1,1,0,0,0,0|1,0,0]=3 747 B8R1.3 Cc1ccc(nc1)Cl AB07104 [1,1,0,0,0,0|1,0,0]=3 748 B8R1.3 Cc1ccc(nc1)F AB01857 [1,1,0,0,0,0|1,0,0]=3 749 B8R1.3 Cc1ccc(nc1)N AB17938 [1,1,0,0,0,0|1,0,0]=3 750 B8R1.3 Cc1ccc(nc1)O AB13138 [1,1,0,0,0,0|1,0,0]=3 751 B8R1.3 Cc1ccc(nn1)Br PB26503 [1,1,0,0,0,0|2,0,0]=4 752 B8R1.3 Cc1ccc(nn1)Cl PB20885 [1,1,0,0,0,0|2,0,0]=4 753 B8R1.3 Cc1ccc(nn1)I PB11607 [1,1,0,0,0,0|2,0,0]=4 754 B8R1.3 Cc1ccc(nn1)N PB33947 [1,1,0,0,0,0|2,0,0]=4 755 B8R1.3 Cc1cnc(cn1)Br PB27954 [1,1,0,0,0,0|2,0,0]=4 756 B8R1.3 Cc1cnc(cn1)Cl AB02272 [1,1,0,0,0,0|2,0,0]=4 757 B8R1.3 Cc1cnc(cn1)N PB32613 [1,1,0,0,0,0|2,0,0]=4 758 B8R1.3 Cc1cnc(nc1)Cl PB25116 [1,1,0,0,0,0|2,0,0]=4 759 B8R1.3 Cc1cnc(nc1)N AB06143 [1,1,0,0,0,0|2,0,0]=4 760 B8R1.3 Cc1ncc(cn1)Br PB18804 [1,1,0,0,0,0|2,0,0]=4 761 B8R1.3 Cc1ncc(cn1)Cl AB56396 [1,1,0,0,0,0|2,0,0]=4 762 B8R1.3 Cc1ncc(cn1)N PB10666 [1,1,0,0,0,0|2,0,0]=4 763 B8R1.3 Cc1ncc(cn1)O AB54467 [1,1,0,0,0,0|2,0,0]=4 764 B8R1.3 c1c(cnc(n1)Br)O PB31459 [1,1,0,0,0,0|2,0,0]=4 765 B8R1.3 c1c(cnc(n1)Cl)O PB12674 [1,1,0,0,0,0|2,0,0]=4 766 B8R1.3 c1c(cnc(n1)N)O PB32565 [1,1,0,0,0,0|2,0,0]=4 767 B8R1.3 c1c(cnc(n1)O)Br AB05049 [1,1,0,0,0,0|2,0,0]=4 768 B8R1.3 c1c(cnc(n1)O)Cl AB03656 [1,1,0,0,0,0|2,0,0]=4 769 B8R1.3 c1c(ncc(n1)Br)O PB26179 [1,1,0,0,0,0|2,0,0]=4 770 B8R1.3 c1c(ncc(n1)Cl)O MB09316 [1,1,0,0,0,0|2,0,0]=4 771 B8R1.3 c1c(ncc(n1)O)O AB44015 [1,1,0,0,0,0|2,0,0]=4 772 B8R1.3 c1c[n+](ccc1F)[O-] PB19565 [1,1,0,0,0,0|1,0,1]=4 773 B8R1.3 c1cc(ncc1Br)Br AB00634 [1,1,0,0,0,0|2,0,0]=4 774 B8R1.3 c1cc(ncc1Br)Cl AB08767 [1,1,0,0,0,0|2,0,0]=4 775 B8R1.3 c1cc(ncc1Br)F PB30707 [1,1,0,0,0,0|2,0,0]=4 776 B8R1.3 c1cc(ncc1Br)N PB30536 [1,1,0,0,0,0|2,0,0]=4 777 B8R1.3 c1cc(ncc1Br)O AB05097 [1,1,0,0,0,0|1,0,0]=3 778 B8R1.3 c1cc(ncc1Br)S AB51097 [1,1,0,0,0,0|1,1,0]=4 779 B8R1.3 c1cc(ncc1Cl)Br AB05069 [1,1,0,0,0,0|2,0,0]=4 780 B8R1.3 c1cc(ncc1Cl)Cl AB00654 [1,1,0,0,0,0|2,0,0]=4 781 B8R1.3 c1cc(ncc1Cl)F AB17577 [1,1,0,0,0,0|2,0,0]=4 782 B8R1.3 c1cc(ncc1Cl)I AB32114 [1,1,0,0,0,0|2,0,0]=4 783 B8R1.3 c1cc(ncc1Cl)N AB00712 [1,1,0,0,0,0|2,0,0]=4 784 B8R1.3 c1cc(ncc1F)Br PB17160 [1,1,0,0,0,0|2,0,0]=4 785 B8R1.3 c1cc(ncc1F)I AB42989 [1,1,0,0,0,0|2,0,0]=4 786 B8R1.3 c1cc(ncc1F)N AB10107 [1,1,0,0,0,0|2,0,0]=4 787 B8R1.3 c1cc(ncc1I)Br PB14333 [1,1,0,0,0,0|2,0,0]=4 788 B8R1.3 c1cc(ncc1I)Cl AB10394 [1,1,0,0,0,0|2,0,0]=4 789 B8R1.3 c1cc(ncc1I)N PB25985 [1,1,0,0,0,0|2,0,0]=4 790 B8R1.3 c1cc(ncc1I)O AB05112 [1,1,0,0,0,0|1,0,0]=3 791 B8R1.3 c1cc(ncc1N)Br PB17224 [1,1,0,0,0,0|2,0,0]=4 792 B8R1.3 c1cc(ncc1N)Cl AB00661 [1,1,0,0,0,0|2,0,0]=4 793 B8R1.3 c1cc(ncc1N)F PB33962 [1,1,0,0,0,0|2,0,0]=4 794 B8R1.3 c1cc(ncc1N)O AB15078 [1,1,0,0,0,0|1,0,0]=3 795 B8R1.3 c1cc(ncc1O)Br PB15771 [1,1,0,0,0,0|1,0,0]=3 796 B8R1.3 c1cc(ncc1O)Cl PB32188 [1,1,0,0,0,0|1,0,0]=3 797 B8R1.3 c1cc(ncc1O)F AB08123 [1,1,0,0,0,0|1,0,0]=3 798 B8R1.3 c1cc(ncc1O)I AB50021 [1,1,0,0,0,0|1,0,0]=3 799 B8R1.3 c1cc(ncc1O)N AB15563 [1,1,0,0,0,0|1,0,0]=3 800 B8R1.3 c1cc(nnc1O)Cl PB29050 [1,1,0,0,0,0|2,0,0]=4 801 B8R1.4 Cc1cc(ccn1)Br AB17599 [1,1,0,0,0,0|1,0,0]=3 802 B8R1.4 Cc1cc(ccn1)Br PB26077 [1,1,0,0,0,0|1,0,0]=3 803 B8R1.4 Cc1cc(ccn1)Cl AB01756 [1,1,0,0,0,0|1,0,0]=3 804 B8R1.4 Cc1cc(ccn1)F AB17919 [1,1,0,0,0,0|1,0,0]=3 805 B8R1.4 Cc1cc(ccn1)O PB24839 [1,1,0,0,0,0|1,0,0]=3 806 B8R1.4 Cc1cc(cnc1)Br AB09597 [1,1,0,0,0,0|1,0,0]=3 807 B8R1.4 Cc1cc(cnc1)Cl AB17994 [1,1,0,0,0,0|1,0,0]=3 808 B8R1.4 Cc1cc(cnc1)F AB13643 [1,1,0,0,0,0|1,0,0]=3 809 B8R1.4 Cc1cc(cnc1)N AB17573 [1,1,0,0,0,0|1,0,0]=3 810 B8R1.4 Cc1cc(cnc1)O MB01362 [1,1,0,0,0,0|1,0,0]=3 811 B8R1.4 Cc1cc(cnn1)N MB11385 [1,1,0,0,0,0|2,0,0]=4 812 B8R1.4 Cc1cc(ncn1)C PB24534 [1,1,0,0,0,0|2,0,0]=4 813 B8R1.4 Cc1cc(ncn1)Cl PB29204 [1,1,0,0,0,0|2,0,0]=4 814 B8R1.4 Cc1cc(ncn1)N PB12118 [1,1,0,0,0,0|2,0,0]=4 815 B8R1.4 Cc1cc(nnc1)Cl PB14716 [1,1,0,0,0,0|2,0,0]=4 816 B8R1.4 Cc1cc(nnc1)N AB61142 [1,1,0,0,0,0|2,0,0]=4 817 B8R1.4 Cc1cc[nH]c(=O)n1 PB19074 [1,1,0,0,0,0|2,0,0]=4 818 B8R1.4 Cc1cccc(n1)Br AB01812 [1,1,0,0,0,0|1,0,0]=3 819 B8R1.4 Cc1cccc(n1)Cl AB00666 [1,1,0,0,0,0|1,0,0]=3 820 B8R1.4 Cc1cccc(n1)F AB01860 [1,1,0,0,0,0|1,0,0]=3 821 B8R1.4 Cc1cccc(n1)N AB00717 [1,1,0,0,0,0|1,0,0]=3 822 B8R1.4 Cc1cccc(n1)O AB00679 [1,1,0,0,0,0|1,0,0]=3 823 B8R1.4 Cc1cccc(n1)S AB25230 [1,1,0,0,0,0|1,0,0]=3 824 B8R1.4 Cc1ccnc(c1)Br AB03099 [1,1,0,0,0,0|1,0,0]=3 825 B8R1.4 Cc1ccnc(c1)Cl PB10051 [1,1,0,0,0,0|1,0,0]=3 826 B8R1.4 Cc1ccnc(c1)F AB01854 [1,1,0,0,0,0|1,0,0]=3 827 B8R1.4 Cc1ccnc(c1)N AB00703 [1,1,0,0,0,0|1,0,0]=3 828 B8R1.4 Cc1ccnc(c1)O AB03735 [1,1,0,0,0,0|1,0,0]=3 829 B8R1.4 Cc1ccnc(n1)Cl PB14106 [1,1,0,0,0,0|2,0,0]=4 830 B8R1.4 Cc1ccnc(n1)N MB00179 [1,1,0,0,0,0|2,0,0]=4 831 B8R1.4 Cc1cncc(n1)Br AB48617 [1,1,0,0,0,0|2,0,0]=4 832 B8R1.4 Cc1cncc(n1)Cl AB02267 [1,1,0,0,0,0|2,0,0]=4 833 B8R1.4 Cc1cncc(n1)N AB43812 [1,1,0,0,0,0|2,0,0]=4 834 B8R1.4 Cc1nccc(n1)Cl PB30633 [1,1,0,0,0,0|2,0,0]=4 835 B8R1.4 Cc1nccc(n1)N AB06587 [1,1,0,0,0,0|2,0,0]=4 836 B8R1.4 c1c(cncc1Br)Br AB01172 [1,1,0,0,0,0|2,0,0]=4 837 B8R1.4 c1c(cncc1Br)Cl AB18001 [1,1,0,0,0,0|2,0,0]=4 838 B8R1.4 c1c(cncc1Br)N PB12251 [1,1,0,0,0,0|2,0,0]=4 839 B8R1.4 c1c(cncc1Br)O PB30658 [1,1,0,0,0,0|1,0,0]=3 840 B8R1.4 c1c(cncc1Cl)Cl AB00743 [1,1,0,0,0,0|2,0,0]=4 841 B8R1.4 c1c(cncc1Cl)F AB21896 [1,1,0,0,0,0|2,0,0]=4 842 B8R1.4 c1c(cncc1Cl)N AB15758 [1,1,0,0,0,0|2,0,0]=4 843 B8R1.4 c1c(cncc1F)F AB14383 [1,1,0,0,0,0|2,0,0]=4 844 B8R1.4 c1c(cncc1F)N AB05123 [1,1,0,0,0,0|2,0,0]=4 845 B8R1.4 c1c(cncc1F)O AB13569 [1,1,0,0,0,0|1,0,0]=3 846 B8R1.4 c1c(cncc1I)Br AB13102 [1,1,0,0,0,0|2,0,0]=4 847 B8R1.4 c1c(cncc1I)Cl AB43784 [1,1,0,0,0,0|2,0,0]=4 848 B8R1.4 c1c(cncc1I)F AB45557 [1,1,0,0,0,0|2,0,0]=4 849 B8R1.4 c1c(cncc1I)I PB19957 [1,1,0,0,0,0|2,0,0]=4 850 B8R1.4 c1c(cncc1I)N AB43802 [1,1,0,0,0,0|2,0,0]=4 851 B8R1.4 c1c(cncc1N)N AB07746 [1,1,0,0,0,0|2,0,0]=4 852 B8R1.4 c1c(cncc1O)N AB17983 [1,1,0,0,0,0|1,0,0]=3 853 B8R1.4 c1c(cncc1O)O MB02073 [1,1,0,0,0,0|1,0,0]=3 854 B8R1.4 c1c(cnnc1O)Cl AB61137 [1,1,0,0,0,0|2,0,0]=4 855 B8R1.4 c1c(nc(cn1)Cl)O MB00903 [1,1,0,0,0,0|2,0,0]=4 856 B8R1.4 c1c(ncnc1Cl)O AB05055 [1,1,0,0,0,0|2,0,0]=4 857 B8R1.4 c1c(ncnc1O)N AB02119 [1,1,0,0,0,0|2,0,0]=4 858 B8R1.4 c1cc(c[n+](c1)[O-])Br AB09548 [1,1,0,0,0,0|1,0,1]=4 859 B8R1.4 c1cc(nc(c1)Br)Br AB00637 [1,1,0,0,0,0|2,0,0]=4 860 B8R1.4 c1cc(nc(c1)Br)Cl PB33830 [1,1,0,0,0,0|2,0,0]=4 861 B8R1.4 c1cc(nc(c1)Br)F AB13626 [1,1,0,0,0,0|2,0,0]=4 862 B8R1.4 c1cc(nc(c1)Br)N PB32140 [1,1,0,0,0,0|2,0,0]=4 863 B8R1.4 c1cc(nc(c1)Br)O AB05100 [1,1,0,0,0,0|1,0,0]=3 864 B8R1.4 c1cc(nc(c1)Cl)Cl AB00664 [1,1,0,0,0,0|2,0,0]=4 865 B8R1.4 c1cc(nc(c1)Cl)F AB02970 [1,1,0,0,0,0|2,0,0]=4 866 B8R1.4 c1cc(nc(c1)Cl)N PB26011 [1,1,0,0,0,0|2,0,0]=4 867 B8R1.4 c1cc(nc(c1)F)N AB17974 [1,1,0,0,0,0|2,0,0]=4 868 B8R1.4 c1cc(nc(c1)I)Cl AB42915 [1,1,0,0,0,0|2,0,0]=4 869 B8R1.4 c1cc(nc(c1)I)I AB31088 [1,1,0,0,0,0|2,0,0]=4 870 B8R1.4 c1cc(nc(c1)I)N AB42508 [1,1,0,0,0,0|2,0,0]=4 871 B8R1.4 c1cnc(cc1Br)Br PB10210 [1,1,0,0,0,0|2,0,0]=4 872 B8R1.4 c1cnc(cc1Br)Cl AB16617 [1,1,0,0,0,0|2,0,0]=4 873 B8R1.4 c1cnc(cc1Br)F AB17567 [1,1,0,0,0,0|2,0,0]=4 874 B8R1.4 c1cnc(cc1Br)I AB31627 [1,1,0,0,0,0|2,0,0]=4 875 B8R1.4 c1cnc(cc1Br)N PB12936 [1,1,0,0,0,0|2,0,0]=4 876 B8R1.4 c1cnc(cc1Cl)Br PB23373 [1,1,0,0,0,0|2,0,0]=4 877 B8R1.4 c1cnc(cc1Cl)Cl AB07735 [1,1,0,0,0,0|2,0,0]=4 878 B8R1.4 c1cnc(cc1Cl)F AB17564 [1,1,0,0,0,0|2,0,0]=4 879 B8R1.4 c1cnc(cc1Cl)N PB32361 [1,1,0,0,0,0|2,0,0]=4 880 B8R1.4 c1cnc(cc1Cl)O AB13188 [1,1,0,0,0,0|1,0,0]=3 881 B8R1.4 c1cnc(cc1F)Br AB50032 [1,1,0,0,0,0|2,0,0]=4 882 B8R1.4 c1cnc(cc1F)Cl AB17349 [1,1,0,0,0,0|2,0,0]=4 883 B8R1.4 c1cnc(cc1F)F PB26122 [1,1,0,0,0,0|2,0,0]=4 884 B8R1.4 c1cnc(cc1F)N AB50025 [1,1,0,0,0,0|2,0,0]=4 885 B8R1.4 c1cnc(cc1I)Br PB29229 [1,1,0,0,0,0|2,0,0]=4 886 B8R1.4 c1cnc(cc1I)Cl PB17253 [1,1,0,0,0,0|2,0,0]=4 887 B8R1.4 c1cnc(cc1I)F PB12274 [1,1,0,0,0,0|2,0,0]=4 888 B8R1.4 c1cnc(cc1I)N PB10642 [1,1,0,0,0,0|2,0,0]=4 889 B8R1.4 c1cnc(cc1N)Br PB30686 [1,1,0,0,0,0|2,0,0]=4 890 B8R1.4 c1cnc(cc1N)Cl PB24583 [1,1,0,0,0,0|2,0,0]=4 891 B8R1.4 c1cnc(cc1N)F PB21208 [1,1,0,0,0,0|2,0,0]=4 892 B8R1.4 c1cnc(cc1N)O PB15716 [1,1,0,0,0,0|1,0,0]=3 893 B8R1.4 c1cnc(cc1O)Br AB05095 [1,1,0,0,0,0|1,0,0]=3 894 B8R1.4 c1cnc(cc1O)Cl AB09576 [1,1,0,0,0,0|1,0,0]=3 895 B8R1.4 c1cnc(cc1O)F AB17930 [1,1,0,0,0,0|1,0,0]=3 896 B8R1.4 c1cnc(cc1O)I MB26582 [1,1,0,0,0,0|1,0,0]=3 897 B8R1.4 c1cnc(cc1O)N AB17934 [1,1,0,0,0,0|1,0,0]=3 898 B8R1.4 c1cnc(nc1Cl)O AB68453 [1,1,0,0,0,0|2,0,0]=4 899 B8R1.5 C1CC=C(C(=C1)O)Cl AB31829 [1,1,0,0,0,0|0,0,2]=4 900 B8R1.5 Cc1c(cccn1)Br PB27472 [1,1,0,0,0,0|1,0,0]=3 901 B8R1.5 Cc1c(cccn1)Cl AB17903 [1,1,0,0,0,0|1,0,0]=3 902 B8R1.5 Cc1c(cccn1)F AB48604 [1,1,0,0,0,0|1,0,0]=3 903 B8R1.5 Cc1c(cccn1)N PB33695 [1,1,0,0,0,0|1,0,0]=3 904 B8R1.5 Cc1c(cccn1)O PB18442 [1,1,0,0,0,0|1,0,0]=3 905 B8R1.5 Cc1c(ccnn1)N MB11382 [1,1,0,0,0,0|2,0,0]=4 906 B8R1.5 Cc1c(cncn1)Br PB26552 [1,1,0,0,0,0|2,0,0]=4 907 B8R1.5 Cc1c(cncn1)N PB26435 [1,1,0,0,0,0|2,0,0]=4 908 B8R1.5 Cc1c(nccn1)Br PB10597 [1,1,0,0,0,0|2,0,0]=4 909 B8R1.5 Cc1c(nccn1)Cl PB18413 [1,1,0,0,0,0|2,0,0]=4 910 B8R1.5 Cc1c(nccn1)I PB26409 [1,1,0,0,0,0|2,0,0]=4 911 B8R1.5 Cc1c(nccn1)N PB32667 [1,1,0,0,0,0|2,0,0]=4 912 B8R1.5 Cc1c(nccn1)O PB12942 [1,1,0,0,0,0|2,0,0]=4 913 B8R1.5 Cc1cccnc1Br AB05448 [1,1,0,0,0,0|1,0,0]=3 914 B8R1.5 Cc1cccnc1Cl AB05179 [1,1,0,0,0,0|1,0,0]=3 915 B8R1.5 Cc1cccnc1N AB17908 [1,1,0,0,0,0|1,0,0]=3 916 B8R1.5 Cc1cccnc1O AB03538 [1,1,0,0,0,0|1,0,0]=3 917 B8R1.5 Cc1ccncc1Br AB03104 [1,1,0,0,0,0|1,0,0]=3 918 B8R1.5 Cc1ccncc1Cl AB18019 [1,1,0,0,0,0|1,0,0]=3 919 B8R1.5 Cc1ccncc1F AB18002 [1,1,0,0,0,0|1,0,0]=3 920 B8R1.5 Cc1ccncc1N PB14127 [1,1,0,0,0,0|1,0,0]=3 921 B8R1.5 Cc1ccncc1O PB23391 [1,1,0,0,0,0|1,0,0]=3 922 B8R1.5 Cc1ccnnc1Cl PB34304 [1,1,0,0,0,0|2,0,0]=4 923 B8R1.5 Cc1ccnnc1N MB06298 [1,1,0,0,0,0|2,0,0]=4 924 B8R1.5 Cc1cnccc1Br AB20846 [1,1,0,0,0,0|1,0,0]=3 925 B8R1.5 Cc1cnccc1Br PB23248 [1,1,0,0,0,0|1,0,0]=3 926 B8R1.5 Cc1cnccc1Cl AB11511 [1,1,0,0,0,0|1,0,0]=3 927 B8R1.5 Cc1cnccc1F AB18013 [1,1,0,0,0,0|1,0,0]=3 928 B8R1.5 Cc1cnccc1N PB17234 [1,1,0,0,0,0|1,0,0]=3 929 B8R1.5 Cc1cncnc1Cl AB44072 [1,1,0,0,0,0|2,0,0]=4 930 B8R1.5 Cc1cncnc1N AB54983 [1,1,0,0,0,0|2,0,0]=4 931 B8R1.5 Cc1cncnc1O AB09558 [1,1,0,0,0,0|2,0,0]=4 932 B8R1.5 Cc1cnncc1N MB11384 [1,1,0,0,0,0|2,0,0]=4 933 B8R1.5 c1c(c(ncn1)O)Br PB32183 [1,1,0,0,0,0|2,0,0]=4 934 B8R1.5 c1c(c(ncn1)O)Cl PB14718 [1,1,0,0,0,0|2,0,0]=4 935 B8R1.5 c1c(c(ncn1)O)I PB34035 [1,1,0,0,0,0|2,0,0]=4 936 B8R1.5 c1cc(c(nc1)Br)Br AB05083 [1,1,0,0,0,0|2,0,0]=4 937 B8R1.5 c1cc(c(nc1)Br)Cl AB17348 [1,1,0,0,0,0|2,0,0]=4 938 B8R1.5 c1cc(c(nc1)Br)F PB14380 [1,1,0,0,0,0|2,0,0]=4 939 B8R1.5 c1cc(c(nc1)Br)I MB06974 [1,1,0,0,0,0|2,0,0]=4 940 B8R1.5 c1cc(c(nc1)Br)N AB17900 [1,1,0,0,0,0|2,0,0]=4 941 B8R1.5 c1cc(c(nc1)Br)N PB26005 [1,1,0,0,0,0|2,0,0]=4 942 B8R1.5 c1cc(c(nc1)Br)O PB28951 [1,1,0,0,0,0|1,0,0]=3 943 B8R1.5 c1cc(c(nc1)Cl)Br PB33875 [1,1,0,0,0,0|2,0,0]=4 944 B8R1.5 c1cc(c(nc1)Cl)Cl AB00641 [1,1,0,0,0,0|2,0,0]=4 945 B8R1.5 c1cc(c(nc1)Cl)F AB13662 [1,1,0,0,0,0|2,0,0]=4 946 B8R1.5 c1cc(c(nc1)Cl)I AB06631 [1,1,0,0,0,0|2,0,0]=4 947 B8R1.5 c1cc(c(nc1)Cl)N PB23167 [1,1,0,0,0,0|2,0,0]=4 948 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [1,1,0,0,0,0|1,0,0]=3 949 B8R1.5 c1cc(c(nc1)F)I AB13652 [1,1,0,0,0,0|2,0,0]=4 950 B8R1.5 c1cc(c(nc1)F)N AB17917 [1,1,0,0,0,0|2,0,0]=4 951 B8R1.5 c1cc(c(nc1)I)Br AB45745 [1,1,0,0,0,0|2,0,0]=4 952 B8R1.5 c1cc(c(nc1)I)F AB13656 [1,1,0,0,0,0|2,0,0]=4 953 B8R1.5 c1cc(c(nc1)I)I AB25846 [1,1,0,0,0,0|2,0,0]=4 954 B8R1.5 c1cc(c(nc1)I)O MB00322 [1,1,0,0,0,0|1,0,0]=3 955 B8R1.5 c1cc(c(nc1)N)Br PB20016 [1,1,0,0,0,0|2,0,0]=4 956 B8R1.5 c1cc(c(nc1)N)Cl AB15555 [1,1,0,0,0,0|2,0,0]=4 957 B8R1.5 c1cc(c(nc1)N)F AB17912 [1,1,0,0,0,0|2,0,0]=4 958 B8R1.5 c1cc(c(nc1)N)I PB12756 [1,1,0,0,0,0|2,0,0]=4 959 B8R1.5 c1cc(c(nc1)N)O AB00700 [1,1,0,0,0,0|1,0,0]=3 960 B8R1.5 c1cc(c(nc1)N)O AB17906 [1,1,0,0,0,0|1,0,0]=3 961 B8R1.5 c1cc(c(nc1)N)S AB64540 [1,1,0,0,0,0|1,1,0]=4 962 B8R1.5 c1cc(c(nc1)O)Br PB12284 [1,1,0,0,0,0|1,0,0]=3 963 B8R1.5 c1cc(c(nc1)O)F AB13427 [1,1,0,0,0,0|1,0,0]=3 964 B8R1.5 c1cc(c(nc1)O)I AB53303 [1,1,0,0,0,0|1,0,0]=3 965 B8R1.5 c1cc(c(nc1)O)N PB30752 [1,1,0,0,0,0|1,0,0]=3 966 B8R1.5 c1cc[n+](c(c1)S)[O-] AB00615 [1,1,0,0,0,0|1,0,1]=4 967 B8R1.5 c1cncc(c1Br)Br AB05087 [1,1,0,0,0,0|2,0,0]=4 968 B8R1.5 c1cncc(c1Br)Cl AB17643 [1,1,0,0,0,0|2,0,0]=4 969 B8R1.5 c1cncc(c1Br)F PB23387 [1,1,0,0,0,0|2,0,0]=4 970 B8R1.5 c1cncc(c1Br)N AB17638 [1,1,0,0,0,0|2,0,0]=4 971 B8R1.5 c1cncc(c1Br)O AB13187 [1,1,0,0,0,0|1,0,0]=3 972 B8R1.5 c1cncc(c1Cl)Br AB05074 [1,1,0,0,0,0|2,0,0]=4 973 B8R1.5 c1cncc(c1Cl)Cl AB10192 [1,1,0,0,0,0|2,0,0]=4 974 B8R1.5 c1cncc(c1Cl)F AB15511 [1,1,0,0,0,0|2,0,0]=4 975 B8R1.5 c1cncc(c1Cl)I AB05089 [1,1,0,0,0,0|2,0,0]=4 976 B8R1.5 c1cncc(c1Cl)N AB05299 [1,1,0,0,0,0|2,0,0]=4 977 B8R1.5 c1cncc(c1Cl)O AB12281 [1,1,0,0,0,0|1,0,0]=3 978 B8R1.5 c1cncc(c1F)Br AB17892 [1,1,0,0,0,0|2,0,0]=4 979 B8R1.5 c1cncc(c1F)Cl AB21349 [1,1,0,0,0,0|2,0,0]=4 980 B8R1.5 c1cncc(c1F)F AB18023 [1,1,0,0,0,0|2,0,0]=4 981 B8R1.5 c1cncc(c1F)N AB50028 [1,1,0,0,0,0|2,0,0]=4 982 B8R1.5 c1cncc(c1F)O AB64515 [1,1,0,0,0,0|1,0,0]=3 983 B8R1.5 c1cncc(c1I)F PB21191 [1,1,0,0,0,0|2,0,0]=4 984 B8R1.5 c1cncc(c1I)N PB23406 [1,1,0,0,0,0|2,0,0]=4 985 B8R1.5 c1cncc(c1I)O MB06807 [1,1,0,0,0,0|1,0,0]=3 986 B8R1.5 c1cncc(c1N)Br AB28611 [1,1,0,0,0,0|2,0,0]=4 987 B8R1.5 c1cncc(c1N)Cl AB16891 [1,1,0,0,0,0|2,0,0]=4 988 B8R1.5 c1cncc(c1N)F PB33879 [1,1,0,0,0,0|2,0,0]=4 989 B8R1.5 c1cncc(c1N)I AB12095 [1,1,0,0,0,0|2,0,0]=4 990 B8R1.5 c1cncc(c1O)Br AB09574 [1,1,0,0,0,0|1,0,0]=3 991 B8R1.5 c1cncc(c1O)F AB18011 [1,1,0,0,0,0|1,0,0]=3 992 B8R1.5 c1cnnc(c1Br)O AB77052 [1,1,0,0,0,0|2,0,0]=4 993 B8R1.1 Cc1[nH]c(cn1)CO AB57908 [0,1,0,0,1,0|2,0,0]=4 994 B8R1.1 Cc1cc(oc1)CN PB24200 [0,1,0,0,1,0|2,0,0]=4 995 B8R1.1 Cc1cc(sc1)CCl AB72607 [0,1,0,0,1,0|2,0,0]=4 996 B8R1.1 Cc1cc(sc1)CN AB25763 [0,1,0,0,1,0|2,0,0]=4 997 B8R1.1 Cc1ccc(s1)CCl AB50993 [0,1,0,0,1,0|2,0,0]=4 998 B8R1.1 Cc1ccc(s1)CN AB07827 [0,1,0,0,1,0|2,0,0]=4 999 B8R1.1 Cc1cnc(o1)CO AB63479 [0,1,0,0,1,0|2,0,0]=4 1000 B8R1.1 Cc1csc(n1)CO AB44110 [0,1,0,0,1,0|2,0,0]=4 1001 B8R1.1 Cc1nc(co1)CO AB48508 [0,1,0,0,1,0|2,0,0]=4 1002 B8R1.1 Cn1cc(cn1)CO PB19942 [0,1,0,0,1,0|2,0,0]=4 1003 B8R1.1 Cn1cc(nc1)CO PB13038 [0,1,0,0,1,0|2,0,0]=4 1004 B8R1.1 Cn1ccc(c1)CN AB48514 [0,1,0,0,1,0|2,0,0]=4 1005 B8R1.1 Cn1ccc(c1)CO AB09760 [0,1,0,0,1,0|1,0,0]=3 1006 B8R1.1 Cn1ccc(n1)CO PB20290 [0,1,0,0,1,0|2,0,0]=4 1007 B8R1.1 c1c(csc1Br)CN PB32960 [0,1,0,0,1,0|2,0,0]=4 1008 B8R1.1 c1c(csc1CN)Br PB27838 [0,1,0,0,1,0|2,0,0]=4 1009 B8R1.1 c1c(csc1CN)Cl PB16734 [0,1,0,0,1,0|2,0,0]=4 1010 B8R1.1 c1c(csc1CO)Br PB12803 [0,1,0,0,1,0|1,0,0]=3 1011 B8R1.1 c1c(csc1CO)Cl PB24317 [0,1,0,0,1,0|1,0,0]=3 1012 B8R1.1 c1c(csc1Cl)CN PB15278 [0,1,0,0,1,0|2,0,0]=4 1013 B8R1.1 c1c(csc1Cl)CO PB13604 [0,1,0,0,1,0|1,0,0]=3 1014 B8R1.1 c1c(nc(o1)Cl)CO PB31033 [0,1,0,0,1,0|2,0,0]=4 1015 B8R1.1 c1c(sc(n1)Br)CO AB20494 [0,1,0,0,1,0|2,0,0]=4 1016 B8R1.1 c1c(sc(n1)CO)Br PB24473 [0,1,0,0,1,0|2,0,0]=4 1017 B8R1.1 c1c(sc(n1)CO)Cl PB36635 [0,1,0,0,1,0|2,0,0]=4 1018 B8R1.1 c1c(sc(n1)N)CO AB23150 [0,1,0,0,1,0|2,0,0]=4 1019 B8R1.1 c1cc(sc1CCl)Cl AB00990 [0,1,0,0,1,0|2,0,0]=4 1020 B8R1.1 c1cc(sc1CN)Br PB24892 [0,1,0,0,1,0|2,0,0]=4 1021 B8R1.1 c1cc(sc1CN)Cl PB22134 [0,1,0,0,1,0|2,0,0]=4 1022 B8R1.1 c1cc(sc1CN)F PB33422 [0,1,0,0,1,0|2,0,0]=4 1023 B8R1.1 c1cc(sc1CO)Br PB23435 [0,1,0,0,1,0|1,0,0]=3 1024 B8R1.1 c1cc(sc1CO)Cl PB23436 [0,1,0,0,1,0|1,0,0]=3 1025 B8R1.1 c1cc(sc1CO)F PB31763 [0,1,0,0,1,0|1,0,0]=3 1026 B8R1.7 B(c1ccc[se]1)(O)O AB08878 [0,1,0,0,1,0|2,0,0]=4 1027 B8R1.7 B(c1ccco1)(O)O AB07247 [0,1,0,0,1,0|2,0,0]=4 1028 B8R1.7 B(c1cccs1)(O)O AB04002 [0,1,0,0,1,0|2,0,0]=4 1029 B8R1.7 B(c1ccoc1)(O)O AB08822 [0,1,0,0,1,0|2,0,0]=4 1030 B8R1.7 B(c1ccsc1)(O)O PB18451 [0,1,0,0,1,0|2,0,0]=4 1031 B8R1.7 CC(c1ccoc1)N AB27902 [0,1,0,0,1,0|2,0,0]=4 1032 B8R1.7 CC(c1ccoc1)N AB66830 [0,1,0,0,1,0|2,0,0]=4 1033 B8R1.7 c1cocc1C(=O)O PB30525 [0,1,0,0,1,0|1,0,1]=4 1034 B8R1.7 c1cscc1C(=O)O PB18386 [0,1,0,0,1,0|1,0,1]=4 1035 B8R1.8 CNCc1cccs1 AB13997 [0,1,0,0,1,0|2,0,0]=4 1036 B8R1.8 COCc1[nH]ccn1 PB20902 [0,1,0,0,1,0|2,0,0]=4 1037 B8R1.8 c1c(con1)CCO AB22774 [0,1,0,0,1,0|2,0,0]=4 1038 B8R1.8 c1cc(sc1)CCN PB12982 [0,1,0,0,1,0|2,0,0]=4 1039 B8R1.8 c1cc(sc1)CCO PB32074 [0,1,0,0,1,0|1,0,0]=3 1040 B8R1.8 c1cc(sc1)CNN PB12479 [0,1,0,0,1,0|2,0,0]=4 1041 B8R1.8 c1ccn(c1)CCBr MB00850 [0,1,0,0,1,0|2,0,0]=4 1042 B8R1.8 c1cscc1CC#N PB19846 [0,1,0,0,1,0|2,0,0]=4 1043 B8R1.8 c1cscc1CCN PB24618 [0,1,0,0,1,0|2,0,0]=4 1044 B8R1.8 c1cscc1CCO PB25903 [0,1,0,0,1,0|1,0,0]=3 1045 B8R1.8 c1cscc1CNN PB25191 [0,1,0,0,1,0|2,0,0]=4 1046 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [0,1,0,0,1,0|0,0,2]=4 1047 B8R1.11 Cc1c(ccs1)CCl AB76281 [0,1,0,0,1,0|2,0,0]=4 1048 B8R1.11 Cc1c(ncs1)CO AB44114 [0,1,0,0,1,0|2,0,0]=4 1049 B8R1.11 Cc1c(ocn1)CO MB03682 [0,1,0,0,1,0|2,0,0]=4 1050 B8R1.11 Cn1c(ccn1)CO PB14601 [0,1,0,0,1,0|2,0,0]=4 1051 B8R1.11 Cn1cncc1CO PB17276 [0,1,0,0,1,0|2,0,0]=4 1052 B8R1.11 c1csc(c1Br)CN PB34113 [0,1,0,0,1,0|2,0,0]=4 1053 B8R1.11 c1csc(c1Br)CO PB27714 [0,1,0,0,1,0|1,0,0]=3 1054 B8R1.11 c1csc(c1CBr)Br PB14291 [0,1,0,0,1,0|2,0,0]=4 1055 B8R1.11 c1csc(c1Cl)CN PB11803 [0,1,0,0,1,0|2,0,0]=4 1056 B8R1.11 c1csc(c1Cl)CO PB23440 [0,1,0,0,1,0|1,0,0]=3 1057 B10R1.1 C#CCc1ccc(cc1)Br AB61388 [0,2,0,0,0,0|1,0,0]=3 1058 B10R1.1 C#CCc1ccc(cc1)Cl AB61380 [0,2,0,0,0,0|1,0,0]=3 1059 B10R1.1 C#CCc1ccc(cc1)F AB61384 [0,2,0,0,0,0|1,0,0]=3 1060 B10R1.1 C#CCc1ccc(cc1)I AB73225 [0,2,0,0,0,0|1,0,0]=3 1061 B10R1.1 C#CCc1ccc(cn1)Br AB73237 [0,2,0,0,0,0|2,0,0]=4 1062 B10R1.1 C#CCc1ccc(cn1)Cl AB73238 [0,2,0,0,0,0|2,0,0]=4 1063 B10R1.1 C#CCc1ccc(cn1)F AB73236 [0,2,0,0,0,0|2,0,0]=4 1064 B10R1.1 C#CCc1ccc(nc1)Br AB69172 [0,2,0,0,0,0|2,0,0]=4 1065 B10R1.1 C#CCc1ccc(nc1)Cl AB69169 [0,2,0,0,0,0|2,0,0]=4 1066 B10R1.1 CCNc1ccc(cn1)Br AB51199 [0,2,0,0,0,0|2,0,0]=4 1067 B10R1.1 CCOc1ccc(cn1)Br AB05210 [0,2,0,0,0,0|2,0,0]=4 1068 B10R1.1 CCOc1ccc(cn1)N AB09602 [0,2,0,0,0,0|2,0,0]=4 1069 B10R1.1 CNCc1ccc(cn1)Br AB49704 [0,2,0,0,0,0|2,0,0]=4 1070 B10R1.1 CNCc1ccc(cn1)Cl AB67610 [0,2,0,0,0,0|2,0,0]=4 1071 B10R1.1 CNCc1ccc(cn1)F AB67668 [0,2,0,0,0,0|2,0,0]=4 1072 B10R1.1 CNCc1ccc(cn1)N AB67748 [0,2,0,0,0,0|2,0,0]=4 1073 B10R1.1 CNCc1ccc(nc1)Br AB67269 [0,2,0,0,0,0|2,0,0]=4 1074 B10R1.1 CNCc1ccc(nc1)Cl AB52618 [0,2,0,0,0,0|2,0,0]=4 1075 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [0,2,0,0,0,0|0,0,1]=3 1076 B10R1.1 Cc1ccc(cc1)\C=C\Br AB73509 [0,2,0,0,0,0|1,0,1]=4 1077 B10R1.1 Cc1ccc(cn1)CCN AB55173 [0,2,0,0,0,0|2,0,0]=4 1078 B10R1.1 Cc1ccc(cn1)CNC AB63786 [0,2,0,0,0,0|2,0,0]=4 1079 B10R1.1 Cc1ccc(nc1)CCN AB31467 [0,2,0,0,0,0|2,0,0]=4 1080 B10R1.1 Cc1ccc(nc1)CNC AB67504 [0,2,0,0,0,0|2,0,0]=4 1081 B10R1.1 Cc1ccc(nc1)\C=N\O AB72002 [0,2,0,0,0,0|1,0,1]=4 1082 B10R1.1 c1c(cnc(n1)CCO)Cl AB59166 [0,2,0,0,0,0|2,0,0]=4 1083 B10R1.1 c1cc(ccc1CC#N)F AB00175 [0,2,0,0,0,0|1,0,0]=3 1084 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [0,2,0,0,0,0|0,0,1]=3 1085 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [0,2,0,0,0,0|0,0,1]=3 1086 B10R1.1 c1cc(ccc1CC=O)F AB11805 [0,2,0,0,0,0|0,0,1]=3 1087 B10R1.1 c1cc(ccc1CC=O)N AB27688 [0,2,0,0,0,0|0,0,1]=3 1088 B10R1.1 c1cc(ccc1CCBr)N MB02970 [0,2,0,0,0,0|1,0,0]=3 1089 B10R1.1 c1cc(ccc1CCN)Br AB00934 [0,2,0,0,0,0|1,0,0]=3 1090 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [0,2,0,0,0,0|1,0,0]=3 1091 B10R1.1 c1cc(ccc1CCN)F AB03730 [0,2,0,0,0,0|1,0,0]=3 1092 B10R1.1 c1cc(ccc1CCN)N AB00936 [0,2,0,0,0,0|1,0,0]=3 1093 B10R1.1 c1cc(ccc1CCO)Br AB00280 [0,2,0,0,0,0|0,0,0]=2 1094 B10R1.1 c1cc(ccc1CNN)Br PB32548 [0,2,0,0,0,0|1,0,0]=3 1095 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [0,2,0,0,0,0|1,0,0]=3 1096 B10R1.1 c1cc(ccc1CNN)F PB20964 [0,2,0,0,0,0|1,0,0]=3 1097 B10R1.1 c1cc(ccc1N=[N+]=[N-])Br AB50568 [0,2,0,0,0,0|2,0,0]=4 1098 B10R1.1 c1cc(ccc1\C=C\Br)Br AB32162 [0,2,0,0,0,0|1,0,1]=4 1099 B10R1.1 c1cc(ccc1\C=C\Br)Cl AB32165 [0,2,0,0,0,0|1,0,1]=4 1100 B10R1.1 c1cc(ccc1\C=C\Br)F AB66443 [0,2,0,0,0,0|1,0,1]=4 1101 B10R1.1 c1cc(ccc1\C=N\O)Br AB06151 [0,2,0,0,0,0|0,0,1]=3 1102 B10R1.1 c1cc(ncc1Br)CC#N PB27797 [0,2,0,0,0,0|2,0,0]=4 1103 B10R1.1 c1cc(ncc1Br)CCN PB20258 [0,2,0,0,0,0|2,0,0]=4 1104 B10R1.1 c1cc(ncc1Br)CCO PB14792 [0,2,0,0,0,0|1,0,0]=3 1105 B10R1.1 c1cc(ncc1CC#N)Cl AB17555 [0,2,0,0,0,0|2,0,0]=4 1106 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [0,2,0,0,0,0|2,0,0]=4 1107 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [0,2,0,0,0,0|2,0,0]=4 1108 B10R1.1 c1cc(ncc1CCN)Br AB45460 [0,2,0,0,0,0|2,0,0]=4 1109 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [0,2,0,0,0,0|2,0,0]=4 1110 B10R1.1 c1cc(ncc1CCN)N AB76809 [0,2,0,0,0,0|2,0,0]=4 1111 B10R1.1 c1cc(ncc1Cl)CC#N AB55145 [0,2,0,0,0,0|2,0,0]=4 1112 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [0,2,0,0,0,0|2,0,0]=4 1113 B10R1.1 c1cc(ncc1F)CCN AB45484 [0,2,0,0,0,0|2,0,0]=4 1114 B10R1.1 c1cc(ncc1N)CCN AB67762 [0,2,0,0,0,0|2,0,0]=4 1115 B10R1.1 c1cc(ncc1O)CCN AB67805 [0,2,0,0,0,0|2,0,0]=4 1116 B10R1.3 C#Cc1ccc(cc1)C=O AB22364 [0,2,0,0,0,0|0,0,2]=4 1117 B10R1.3 CCc1ccc(cc1)NN AB10141 [0,2,0,0,0,0|1,0,0]=3 1118 B10R1.3 CCc1ccc(nc1)CCl AB60001 [0,2,0,0,0,0|2,0,0]=4 1119 B10R1.3 COc1ccc(cc1)C#N AB00162 [0,2,0,0,0,0|1,0,1]=4 1120 B10R1.3 COc1ccc(cc1)NN AB11940 [0,2,0,0,0,0|2,0,0]=4 1121 B10R1.3 COc1ccc(cn1)CCl AB59942 [0,2,0,0,0,0|2,0,0]=4 1122 B10R1.3 COc1ccc(cn1)CCl AB59945 [0,2,0,0,0,0|2,0,0]=4 1123 B10R1.3 COc1ccc(cn1)CN PB34107 [0,2,0,0,0,0|2,0,0]=4 1124 B10R1.3 COc1ccc(cn1)CO PB17339 [0,2,0,0,0,0|1,0,0]=3 1125 B10R1.3 COc1ccc(nc1)CCl AB59864 [0,2,0,0,0,0|2,0,0]=4 1126 B10R1.3 COc1ccc(nc1)CCl PB31547 [0,2,0,0,0,0|2,0,0]=4 1127 B10R1.3 COc1ccc(nc1)CN AB59858 [0,2,0,0,0,0|2,0,0]=4 1128 B10R1.3 COc1ccc(nc1)CO PB32580 [0,2,0,0,0,0|1,0,0]=3 1129 B10R1.3 CSc1ccc(cc1)CCl AB05549 [0,2,0,0,0,0|1,0,0]=3 1130 B10R1.3 CSc1ccc(cc1)CO AB00982 [0,2,0,0,0,0|0,0,0]=2 1131 B10R1.3 c1cc(ccc1C#N)NN AB06913 [0,2,0,0,0,0|1,0,1]=4 1132 B10R1.3 c1cc(ccc1CN)CO AB23442 [0,2,0,0,0,0|0,0,0]=2 1133 B10R1.3 c1cc(ncc1C#N)CCl AB67716 [0,2,0,0,0,0|2,0,0]=4 1134 B10R1.3 c1cc(ncc1C#N)CN AB66593 [0,2,0,0,0,0|2,0,0]=4 1135 B10R1.3 c1cc(ncc1C=O)CCl AB69673 [0,2,0,0,0,0|2,0,0]=4 1136 B10R1.3 c1cc(ncc1CCl)C#N AB59943 [0,2,0,0,0,0|2,0,0]=4 1137 B10R1.3 c1cc(ncc1CCl)C=O AB59921 [0,2,0,0,0,0|2,0,0]=4 1138 B10R1.3 c1cc(ncc1CN)C#N AB45527 [0,2,0,0,0,0|2,0,0]=4 1139 B10R1.3 c1cc(ncc1CO)C#N AB49273 [0,2,0,0,0,0|1,0,0]=3 1140 B10R1.3 c1cc(ncc1CO)CN AB63417 [0,2,0,0,0,0|1,0,0]=3 1141 B10R1.3 c1cc(ncc1CO)CO AB14995 [0,2,0,0,0,0|1,0,0]=3 1142 B10R1.13 B(c1ccc(cc1)Br)(O)O AB00202 [0,2,0,0,0,0|1,0,0]=3 1143 B10R1.13 B(c1ccc(cc1)C)(O)O AB01767 [0,2,0,0,0,0|1,0,0]=3 1144 B10R1.13 B(c1ccc(cc1)Cl)(O)O AB01763 [0,2,0,0,0,0|1,0,0]=3 1145 B10R1.13 B(c1ccc(cc1)F)(O)O AB01761 [0,2,0,0,0,0|1,0,0]=3 1146 B10R1.13 B(c1ccc(cc1)I)(O)O AB08832 [0,2,0,0,0,0|1,0,0]=3 1147 B10R1.13 B(c1ccc(cc1)N)(O)O AB08102 [0,2,0,0,0,0|1,0,0]=3 1148 B10R1.13 B(c1ccc(cc1)O)(O)O AB08076 [0,2,0,0,0,0|1,0,0]=3 1149 B10R1.13 B(c1ccc(cc1)S)(O)O AB13276 [0,2,0,0,0,0|1,0,0]=3 1150 B10R1.13 B(c1ccc(cn1)Br)(O)O AB48603 [0,2,0,0,0,0|2,0,0]=4 1151 B10R1.13 B(c1ccc(cn1)C)(O)O AB06946 [0,2,0,0,0,0|2,0,0]=4 1152 B10R1.13 B(c1ccc(cn1)Cl)(O)O AB32111 [0,2,0,0,0,0|2,0,0]=4 1153 B10R1.13 B(c1ccc(cn1)F)(O)O AB48605 [0,2,0,0,0,0|2,0,0]=4 1154 B10R1.13 B(c1ccc(cn1)N)(O)O AB43322 [0,2,0,0,0,0|2,0,0]=4 1155 B10R1.13 B(c1ccc(nc1)Br)(O)O AB14131 [0,2,0,0,0,0|2,0,0]=4 1156 B10R1.13 B(c1ccc(nc1)C)(O)O AB30208 [0,2,0,0,0,0|2,0,0]=4 1157 B10R1.13 B(c1ccc(nc1)Cl)(O)O AB13412 [0,2,0,0,0,0|2,0,0]=4 1158 B10R1.13 B(c1ccc(nc1)F)(O)O AB14135 [0,2,0,0,0,0|2,0,0]=4 1159 B10R1.13 B(c1ccc(nc1)N)(O)O PB31438 [0,2,0,0,0,0|2,0,0]=4 1160 B10R1.13 B(c1ccc(nc1)O)(O)O AB54706 [0,2,0,0,0,0|2,0,0]=4 1161 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [0,2,0,0,0,0|1,0,1]=4 1162 B10R1.13 CC(C)c1ccc(cn1)Br MB11629 [0,2,0,0,0,0|2,0,0]=4 1163 B10R1.13 CC(C)c1ccc(cn1)N PB22166 [0,2,0,0,0,0|2,0,0]=4 1164 B10R1.13 CC(C)c1ccc(cn1)O MB08432 [0,2,0,0,0,0|2,0,0]=4 1165 B10R1.13 CC(C)c1ccc(nc1)Br MB10296 [0,2,0,0,0,0|2,0,0]=4 1166 B10R1.13 CC(c1ccc(cn1)F)N PB27166 [0,2,0,0,0,0|2,0,0]=4 1167 B10R1.13 CC(c1ccc(nc1)Br)N AB67301 [0,2,0,0,0,0|2,0,0]=4 1168 B10R1.13 CC(c1ccc(nc1)Cl)N AB67348 [0,2,0,0,0,0|2,0,0]=4 1169 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [0,2,0,0,0,0|2,0,0]=4 1170 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [0,2,0,0,0,0|2,0,0]=4 1171 B10R1.13 C[C@@H](c1ccc(nc1)Cl)N AB49730 [0,2,0,0,0,0|2,0,0]=4 1172 B10R1.13 C[C@H](c1ccc(nc1)Cl)N AB49726 [0,2,0,0,0,0|2,0,0]=4 1173 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [0,2,0,0,0,0|1,0,1]=4 1174 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [0,2,0,0,0,0|0,1,1]=4 1175 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [0,2,0,0,0,0|1,0,1]=4 1176 B10R1.13 Cc1ccc(cn1)C(C)N AB53828 [0,2,0,0,0,0|2,0,0]=4 1177 B10R1.13 Cc1ccc(cn1)C(F)F AB76728 [0,2,0,0,0,0|2,0,0]=4 1178 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [0,2,0,0,0,0|1,0,1]=4 1179 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [0,2,0,0,0,0|1,0,1]=4 1180 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [0,2,0,0,0,0|1,0,1]=4 1181 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [0,2,0,0,0,0|1,0,1]=4 1182 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [0,2,0,0,0,0|1,0,1]=4 1183 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [0,2,0,0,0,0|1,0,1]=4 1184 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [0,2,0,0,0,0|1,0,1]=4 1185 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [0,2,0,0,0,0|0,1,1]=4 1186 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [0,2,0,0,0,0|0,1,1]=4 1187 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [0,2,0,0,0,0|0,1,1]=4 1188 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [0,2,0,0,0,0|0,1,1]=4 1189 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [0,2,0,0,0,0|0,1,1]=4 1190 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [0,2,0,0,0,0|1,0,1]=4 1191 B10R1.13 c1cc(ncc1Br)C(F)F AB65154 [0,2,0,0,0,0|2,0,0]=4 1192 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [0,2,0,0,0,0|1,0,1]=4 1193 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [0,2,0,0,0,0|1,0,1]=4 1194 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [0,2,0,0,0,0|1,0,1]=4 1195 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [0,2,0,0,0,0|1,0,1]=4 1196 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [0,2,0,0,0,0|1,0,1]=4 1197 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [0,2,0,0,0,0|1,0,1]=4 1198 B10R1.13 c1cc(ncc1C(F)F)Br AB70749 [0,2,0,0,0,0|2,0,0]=4 1199 B10R1.13 c1cc(ncc1C(F)F)Cl AB70755 [0,2,0,0,0,0|2,0,0]=4 1200 B10R1.13 c1cc(ncc1C(F)F)F AB76727 [0,2,0,0,0,0|2,0,0]=4 1201 B10R1.13 c1cc(ncc1C(F)F)N AB74782 [0,2,0,0,0,0|2,0,0]=4 1202 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [0,2,0,0,0,0|1,0,1]=4 1203 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [0,2,0,0,0,0|1,0,1]=4 1204 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [0,2,0,0,0,0|1,0,1]=4 1205 B10R1.13 c1cc(ncc1N)C(F)F AB75496 [0,2,0,0,0,0|2,0,0]=4 1206 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [0,2,0,0,0,0|1,0,1]=4 1207 B10R1.13 c1cc(ncc1O)C(F)F AB74785 [0,2,0,0,0,0|2,0,0]=4 1208 B10R1.25 CCc1c(cc(cn1)Br)N PB11662 [0,2,0,0,0,0|2,0,0]=4 1209 B10R1.25 CCc1ccc(cc1Br)O MB23966 [0,2,0,0,0,0|1,0,0]=3 1210 B10R1.25 CCc1ccc(cc1C)O MB23913 [0,2,0,0,0,0|1,0,0]=3 1211 B10R1.25 CCc1ccc(cc1Cl)O MB23969 [0,2,0,0,0,0|1,0,0]=3 1212 B10R1.25 CCc1ccc(cc1F)O MB14963 [0,2,0,0,0,0|1,0,0]=3 1213 B10R1.25 CCc1ccc(cc1I)O MB23946 [0,2,0,0,0,0|1,0,0]=3 1214 B10R1.25 CCc1ccc(cc1N)O MB23949 [0,2,0,0,0,0|1,0,0]=3 1215 B10R1.25 CCc1ccc(cc1O)Br MB23992 [0,2,0,0,0,0|1,0,0]=3 1216 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [0,2,0,0,0,0|1,0,0]=3 1217 B10R1.25 CCc1ccc(cc1O)F MB23841 [0,2,0,0,0,0|1,0,0]=3 1218 B10R1.25 CCc1ccc(cc1O)I MB23846 [0,2,0,0,0,0|1,0,0]=3 1219 B10R1.25 CCc1ccc(cc1O)N MB23852 [0,2,0,0,0,0|1,0,0]=3 1220 B10R1.25 CCc1ccc(nc1N)C AB03677 [0,2,0,0,0,0|2,0,0]=4 1221 B10R1.25 CCn1ccc(cc1=O)Br PB38061 [0,2,0,0,0,0|2,0,0]=4 1222 B10R1.25 CCn1ccc(cc1=O)N PB23013 [0,2,0,0,0,0|2,0,0]=4 1223 B10R1.25 CNc1ccc(cc1F)O MB31256 [0,2,0,0,0,0|2,0,0]=4 1224 B10R1.25 CNc1ccc(cc1I)O MB37121 [0,2,0,0,0,0|2,0,0]=4 1225 B10R1.25 CNc1ccc(cc1N)O MB30558 [0,2,0,0,0,0|2,0,0]=4 1226 B10R1.25 CNc1ccc(cc1O)Cl MB25839 [0,2,0,0,0,0|2,0,0]=4 1227 B10R1.25 CNc1ccc(cc1O)N MB33015 [0,2,0,0,0,0|2,0,0]=4 1228 B10R1.25 COc1ccc(cc1Cl)Br AB03565 [0,2,0,0,0,0|2,0,0]=4 1229 B10R1.25 COc1ccc(cc1Cl)O MB13556 [0,2,0,0,0,0|2,0,0]=4 1230 B10R1.25 COc1ccc(cc1F)Br AB01075 [0,2,0,0,0,0|2,0,0]=4 1231 B10R1.25 COc1ccc(cc1I)O MB26647 [0,2,0,0,0,0|2,0,0]=4 1232 B10R1.25 COc1ccc(cc1N)O MB34521 [0,2,0,0,0,0|2,0,0]=4 1233 B10R1.25 COc1ccc(cc1O)Cl MB09234 [0,2,0,0,0,0|2,0,0]=4 1234 B10R1.25 COc1ccc(cc1O)I MB38179 [0,2,0,0,0,0|2,0,0]=4 1235 B10R1.25 CSc1ccc(cc1Br)O MB25524 [0,2,0,0,0,0|2,0,0]=4 1236 B10R1.25 CSc1ccc(cc1Cl)O MB38487 [0,2,0,0,0,0|2,0,0]=4 1237 B10R1.25 CSc1ccc(cc1F)O MB25544 [0,2,0,0,0,0|2,0,0]=4 1238 B10R1.25 CSc1ccc(cc1N)O MB34593 [0,2,0,0,0,0|2,0,0]=4 1239 B10R1.25 CSc1ccc(cc1O)Br MB35434 [0,2,0,0,0,0|2,0,0]=4 1240 B10R1.25 CSc1ccc(cc1O)F MB25440 [0,2,0,0,0,0|2,0,0]=4 1241 B10R1.25 CSc1ccc(cc1O)I MB29501 [0,2,0,0,0,0|2,0,0]=4 1242 B10R1.25 CSc1ccc(cc1O)N MB36502 [0,2,0,0,0,0|2,0,0]=4 1243 B10R1.25 Cc1c(ccc(n1)Br)CCl AB69339 [0,2,0,0,0,0|2,0,0]=4 1244 B10R1.25 Cc1c(ccc(n1)Br)CN AB69340 [0,2,0,0,0,0|2,0,0]=4 1245 B10R1.25 Cc1c(ccc(n1)Cl)CN AB74568 [0,2,0,0,0,0|2,0,0]=4 1246 B10R1.25 Cc1cc(c(cn1)CCl)Cl AB83327 [0,2,0,0,0,0|2,0,0]=4 1247 B10R1.25 Cc1cc(c(cn1)CCl)F AB83045 [0,2,0,0,0,0|2,0,0]=4 1248 B10R1.25 Cc1cc(c(cn1)CN)Br AB68171 [0,2,0,0,0,0|2,0,0]=4 1249 B10R1.25 Cc1cc(c(cn1)CN)Cl AB68154 [0,2,0,0,0,0|2,0,0]=4 1250 B10R1.25 Cc1cc(c(cn1)CN)F AB83048 [0,2,0,0,0,0|2,0,0]=4 1251 B10R1.25 Cc1cc(c(nc1)CCl)C AB44395 [0,2,0,0,0,0|2,0,0]=4 1252 B10R1.25 Cc1cc(c(nc1)CCl)Cl AB75094 [0,2,0,0,0,0|2,0,0]=4 1253 B10R1.25 Cc1cc(c(nc1)CCl)F AB76356 [0,2,0,0,0,0|2,0,0]=4 1254 B10R1.25 Cc1cc(c(nc1)CN)C AB53521 [0,2,0,0,0,0|2,0,0]=4 1255 B10R1.25 Cc1cc(c(nc1)CN)Cl AB75093 [0,2,0,0,0,0|2,0,0]=4 1256 B10R1.25 Cc1cc(c(nc1)CN)F AB75165 [0,2,0,0,0,0|2,0,0]=4 1257 B10R1.25 Cc1cc(c(nc1)CO)C AB53524 [0,2,0,0,0,0|1,0,0]=3 1258 B10R1.25 Cc1cc(ccc1C#N)Cl MB00421 [0,2,0,0,0,0|1,0,1]=4 1259 B10R1.25 Cc1cc(ccc1C#N)O MB23389 [0,2,0,0,0,0|1,0,1]=4 1260 B10R1.25 Cc1cc(ccc1NC)O MB05083 [0,2,0,0,0,0|2,0,0]=4 1261 B10R1.25 Cc1cc(ccc1OC)O MB07842 [0,2,0,0,0,0|2,0,0]=4 1262 B10R1.25 Cc1cc(cnc1CCl)Cl AB75121 [0,2,0,0,0,0|2,0,0]=4 1263 B10R1.25 Cc1cc(cnc1CCl)F AB74796 [0,2,0,0,0,0|2,0,0]=4 1264 B10R1.25 Cc1cc(cnc1CN)Br AB41237 [0,2,0,0,0,0|2,0,0]=4 1265 B10R1.25 Cc1cc(cnc1CN)Cl AB75120 [0,2,0,0,0,0|2,0,0]=4 1266 B10R1.25 Cc1cc(cnc1CN)F AB41242 [0,2,0,0,0,0|2,0,0]=4 1267 B10R1.25 Cc1cc(ncc1CCl)C AB75393 [0,2,0,0,0,0|2,0,0]=4 1268 B10R1.25 Cc1cc(ncc1CCl)Cl AB74566 [0,2,0,0,0,0|2,0,0]=4 1269 B10R1.25 Cc1cc(ncc1CCl)F AB76758 [0,2,0,0,0,0|2,0,0]=4 1270 B10R1.25 Cc1cc(ncc1CCl)N AB76224 [0,2,0,0,0,0|2,0,0]=4 1271 B10R1.25 Cc1cc(ncc1CN)C AB62611 [0,2,0,0,0,0|2,0,0]=4 1272 B10R1.25 Cc1cc(ncc1CN)Cl AB74564 [0,2,0,0,0,0|2,0,0]=4 1273 B10R1.25 Cc1cc(ncc1CN)F AB83068 [0,2,0,0,0,0|2,0,0]=4 1274 B10R1.25 Cc1ccc(c(c1)F)NN AB27888 [0,2,0,0,0,0|2,0,0]=4 1275 B10R1.25 Cc1ccc(c(c1)N)C#N AB04357 [0,2,0,0,0,0|1,0,1]=4 1276 B10R1.25 Cc1ccc(c(c1)N)C=O AB58436 [0,2,0,0,0,0|0,0,2]=4 1277 B10R1.25 Cc1ccc(c(c1)O)C#N AB11820 [0,2,0,0,0,0|1,0,1]=4 1278 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [0,2,0,0,0,0|1,0,0]=3 1279 B10R1.25 Cc1ccc(c(c1)O)NC MB33283 [0,2,0,0,0,0|2,0,0]=4 1280 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [0,2,0,0,0,0|2,0,0]=4 1281 B10R1.25 Cc1ccc(c(n1)Br)CN AB68158 [0,2,0,0,0,0|2,0,0]=4 1282 B10R1.25 Cc1ccc(c(n1)Cl)CN AB23323 [0,2,0,0,0,0|2,0,0]=4 1283 B10R1.25 Cc1ccc(c(n1)N)CCl AB76121 [0,2,0,0,0,0|2,0,0]=4 1284 B10R1.25 Cc1ncc(c(n1)O)CO AB48547 [0,2,0,0,0,0|2,0,0]=4 1285 B10R1.25 c1c(c(cnc1Cl)CN)Cl AB68217 [0,2,0,0,0,0|2,0,0]=4 1286 B10R1.25 c1c(c(cnc1F)CCl)Cl AB83187 [0,2,0,0,0,0|2,0,0]=4 1287 B10R1.25 c1c(c(cnc1F)CN)Cl AB83188 [0,2,0,0,0,0|2,0,0]=4 1288 B10R1.25 c1c(c(nc(n1)N)N)CO AB24931 [0,2,0,0,0,0|2,0,0]=4 1289 B10R1.25 c1c(cnc(c1Cl)CCl)F AB70994 [0,2,0,0,0,0|2,0,0]=4 1290 B10R1.25 c1c(cnc(c1Cl)CN)F AB71565 [0,2,0,0,0,0|2,0,0]=4 1291 B10R1.25 c1c(cnc(c1F)CCl)Cl AB70997 [0,2,0,0,0,0|2,0,0]=4 1292 B10R1.25 c1c(cnc(c1F)CN)Br PB24277 [0,2,0,0,0,0|2,0,0]=4 1293 B10R1.25 c1c(cnc(c1F)CN)Cl AB75040 [0,2,0,0,0,0|2,0,0]=4 1294 B10R1.25 c1c(cnc(c1F)CO)Br PB34795 [0,2,0,0,0,0|1,0,0]=3 1295 B10R1.25 c1c(cnc(c1N)CO)Br PB37232 [0,2,0,0,0,0|1,0,0]=3 1296 B10R1.25 c1cc(c(cc1Br)Br)C#N AB66754 [0,2,0,0,0,0|1,0,1]=4 1297 B10R1.25 c1cc(c(cc1Br)Br)C=O AB66752 [0,2,0,0,0,0|0,0,2]=4 1298 B10R1.25 c1cc(c(cc1Br)F)C#N AB03862 [0,2,0,0,0,0|1,0,1]=4 1299 B10R1.25 c1cc(c(cc1Br)N)C=O AB45657 [0,2,0,0,0,0|0,0,2]=4 1300 B10R1.25 c1cc(c(cc1Br)N)CO AB42495 [0,2,0,0,0,0|0,0,0]=2 1301 B10R1.25 c1cc(c(cc1Br)O)C=O AB23661 [0,2,0,0,0,0|0,0,2]=4 1302 B10R1.25 c1cc(c(cc1Br)O)CN MB08429 [0,2,0,0,0,0|1,0,0]=3 1303 B10R1.25 c1cc(c(cc1Cl)Br)C=O MB06997 [0,2,0,0,0,0|0,0,2]=4 1304 B10R1.25 c1cc(c(cc1Cl)Br)CO MB06939 [0,2,0,0,0,0|0,0,0]=2 1305 B10R1.25 c1cc(c(cc1Cl)N)C=O AB58432 [0,2,0,0,0,0|0,0,2]=4 1306 B10R1.25 c1cc(c(cc1Cl)O)C#N MB01011 [0,2,0,0,0,0|1,0,1]=4 1307 B10R1.25 c1cc(c(cc1Cl)O)C=O AB23660 [0,2,0,0,0,0|0,0,2]=4 1308 B10R1.25 c1cc(c(cc1Cl)O)CN MB26819 [0,2,0,0,0,0|1,0,0]=3 1309 B10R1.25 c1cc(c(cc1F)Br)C#N AB06855 [0,2,0,0,0,0|1,0,1]=4 1310 B10R1.25 c1cc(c(cc1F)Br)C=O AB06851 [0,2,0,0,0,0|0,0,2]=4 1311 B10R1.25 c1cc(c(cc1F)Br)CO AB06857 [0,2,0,0,0,0|0,0,0]=2 1312 B10R1.25 c1cc(c(cc1F)N)C=O AB55874 [0,2,0,0,0,0|0,0,2]=4 1313 B10R1.25 c1cc(c(cc1F)N)CN AB50268 [0,2,0,0,0,0|1,0,0]=3 1314 B10R1.25 c1cc(c(cc1F)O)C#N MB13366 [0,2,0,0,0,0|1,0,1]=4 1315 B10R1.25 c1cc(c(cc1F)O)CN MB14866 [0,2,0,0,0,0|1,0,0]=3 1316 B10R1.25 c1cc(c(cc1I)O)C#N MB11881 [0,2,0,0,0,0|1,0,1]=4 1317 B10R1.25 c1cc(c(cc1I)O)C=O MB06220 [0,2,0,0,0,0|0,0,2]=4 1318 B10R1.25 c1cc(c(cc1I)O)CN MB10252 [0,2,0,0,0,0|1,0,0]=3 1319 B10R1.25 c1cc(c(cc1N)F)C#N AB32067 [0,2,0,0,0,0|1,0,1]=4 1320 B10R1.25 c1cc(c(cc1N)F)CBr AB56061 [0,2,0,0,0,0|1,0,0]=3 1321 B10R1.25 c1cc(c(cc1N)F)CN AB50282 [0,2,0,0,0,0|1,0,0]=3 1322 B10R1.25 c1cc(c(cc1N)O)C#N AB53481 [0,2,0,0,0,0|1,0,1]=4 1323 B10R1.25 c1cc(c(cc1N)O)C=O MB09039 [0,2,0,0,0,0|0,0,2]=4 1324 B10R1.25 c1cc(c(cc1N)O)CN MB10253 [0,2,0,0,0,0|1,0,0]=3 1325 B10R1.25 c1cc(c(cc1O)Br)C#N MB14756 [0,2,0,0,0,0|1,0,1]=4 1326 B10R1.25 c1cc(c(cc1O)Br)C=O MB25584 [0,2,0,0,0,0|0,0,2]=4 1327 B10R1.25 c1cc(c(cc1O)Cl)CN MB02722 [0,2,0,0,0,0|1,0,0]=3 1328 B10R1.25 c1cc(c(cc1O)F)C#N AB04647 [0,2,0,0,0,0|1,0,1]=4 1329 B10R1.25 c1cc(c(cc1O)F)CN MB02723 [0,2,0,0,0,0|1,0,0]=3 1330 B10R1.25 c1cc(c(cc1O)I)C#N MB14759 [0,2,0,0,0,0|1,0,1]=4 1331 B10R1.25 c1cc(c(cc1O)I)C=O MB25658 [0,2,0,0,0,0|0,0,2]=4 1332 B10R1.25 c1cc(c(cc1O)N)C#N MB14762 [0,2,0,0,0,0|1,0,1]=4 1333 B10R1.25 c1cc(c(cc1O)N)C=O MB38477 [0,2,0,0,0,0|0,0,2]=4 1334 B10R1.25 c1cc(c(cc1O)N)CN MB29325 [0,2,0,0,0,0|1,0,0]=3 1335 B10R1.25 c1cc(nc(c1CCl)Cl)Cl AB31596 [0,2,0,0,0,0|2,0,0]=4 1336 B10R1.25 c1cc(nc(c1CCl)N)Br AB85294 [0,2,0,0,0,0|2,0,0]=4 1337 B10R1.25 c1cc(nc(c1CCl)N)Cl AB71432 [0,2,0,0,0,0|2,0,0]=4 1338 B10R1.25 c1cc(nc(c1CN)Br)Cl AB68220 [0,2,0,0,0,0|2,0,0]=4 1339 B10R1.25 c1cc(nc(c1CN)Cl)Br AB68231 [0,2,0,0,0,0|2,0,0]=4 1340 B10R1.25 c1cc(nc(c1CN)Cl)Cl AB68210 [0,2,0,0,0,0|2,0,0]=4 1341 B10R1.25 c1cc(nc(c1CO)Cl)Cl PB32897 [0,2,0,0,0,0|1,0,0]=3 1342 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [0,2,0,0,0,0|1,0,0]=3 1343 B10R1.176 CCc1ccc(c(c1)Cl)O MB23911 [0,2,0,0,0,0|1,0,0]=3 1344 B10R1.176 CCc1ccc(c(c1)F)O MB23895 [0,2,0,0,0,0|1,0,0]=3 1345 B10R1.176 CCc1ccc(c(c1)I)O MB23898 [0,2,0,0,0,0|1,0,0]=3 1346 B10R1.176 CCc1ccc(c(c1)N)O MB00456 [0,2,0,0,0,0|1,0,0]=3 1347 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [0,2,0,0,0,0|1,0,0]=3 1348 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [0,2,0,0,0,0|1,0,0]=3 1349 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [0,2,0,0,0,0|1,0,0]=3 1350 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [0,2,0,0,0,0|1,0,0]=3 1351 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [0,2,0,0,0,0|1,0,0]=3 1352 B10R1.176 CNc1ccc(c(c1)Br)O MB30977 [0,2,0,0,0,0|2,0,0]=4 1353 B10R1.176 CNc1ccc(c(c1)Cl)O MB15061 [0,2,0,0,0,0|2,0,0]=4 1354 B10R1.176 CNc1ccc(c(c1)F)O MB33460 [0,2,0,0,0,0|2,0,0]=4 1355 B10R1.176 CNc1ccc(c(c1)I)O MB28237 [0,2,0,0,0,0|2,0,0]=4 1356 B10R1.176 CNc1ccc(c(c1)N)O MB27818 [0,2,0,0,0,0|2,0,0]=4 1357 B10R1.176 CNc1ccc(c(c1)O)Br MB32226 [0,2,0,0,0,0|2,0,0]=4 1358 B10R1.176 CNc1ccc(c(c1)O)Cl MB28131 [0,2,0,0,0,0|2,0,0]=4 1359 B10R1.176 CNc1ccc(c(c1)O)F MB37912 [0,2,0,0,0,0|2,0,0]=4 1360 B10R1.176 CNc1ccc(c(c1)O)I MB26459 [0,2,0,0,0,0|2,0,0]=4 1361 B10R1.176 CNc1ccc(c(c1)O)N MB25952 [0,2,0,0,0,0|2,0,0]=4 1362 B10R1.176 COc1ccc(c(c1)Br)I CB11658 [0,2,0,0,0,0|2,0,0]=4 1363 B10R1.176 COc1ccc(c(c1)Br)N AB49251 [0,2,0,0,0,0|2,0,0]=4 1364 B10R1.176 COc1ccc(c(c1)Br)O AB10935 [0,2,0,0,0,0|2,0,0]=4 1365 B10R1.176 COc1ccc(c(c1)F)N AB09440 [0,2,0,0,0,0|2,0,0]=4 1366 B10R1.176 COc1ccc(c(c1)I)N AB42374 [0,2,0,0,0,0|2,0,0]=4 1367 B10R1.176 COc1ccc(c(c1)I)O MB07821 [0,2,0,0,0,0|2,0,0]=4 1368 B10R1.176 COc1ccc(c(c1)N)I AB45640 [0,2,0,0,0,0|2,0,0]=4 1369 B10R1.176 COc1ccc(c(c1)N)N AB02069 [0,2,0,0,0,0|2,0,0]=4 1370 B10R1.176 COc1ccc(c(c1)N)O AB25358 [0,2,0,0,0,0|2,0,0]=4 1371 B10R1.176 COc1ccc(c(c1)O)Br MB02872 [0,2,0,0,0,0|2,0,0]=4 1372 B10R1.176 COc1ccc(c(c1)O)F MB25573 [0,2,0,0,0,0|2,0,0]=4 1373 B10R1.176 COc1ccc(c(c1)O)I MB12203 [0,2,0,0,0,0|2,0,0]=4 1374 B10R1.176 CSc1ccc(c(c1)Br)O MB09158 [0,2,0,0,0,0|2,0,0]=4 1375 B10R1.176 CSc1ccc(c(c1)Cl)O MB31036 [0,2,0,0,0,0|2,0,0]=4 1376 B10R1.176 CSc1ccc(c(c1)F)O MB25631 [0,2,0,0,0,0|2,0,0]=4 1377 B10R1.176 CSc1ccc(c(c1)I)O MB38361 [0,2,0,0,0,0|2,0,0]=4 1378 B10R1.176 CSc1ccc(c(c1)N)O MB34167 [0,2,0,0,0,0|2,0,0]=4 1379 B10R1.176 CSc1ccc(c(c1)O)Cl MB33637 [0,2,0,0,0,0|2,0,0]=4 1380 B10R1.176 CSc1ccc(c(c1)O)F MB25520 [0,2,0,0,0,0|2,0,0]=4 1381 B10R1.176 CSc1ccc(c(c1)O)I MB38424 [0,2,0,0,0,0|2,0,0]=4 1382 B10R1.176 Cc1c(cc(cn1)CCl)Cl AB74647 [0,2,0,0,0,0|2,0,0]=4 1383 B10R1.176 Cc1c(cc(cn1)CCl)F AB76305 [0,2,0,0,0,0|2,0,0]=4 1384 B10R1.176 Cc1c(cc(cn1)CN)Cl AB74649 [0,2,0,0,0,0|2,0,0]=4 1385 B10R1.176 Cc1c(cc(cn1)CN)F AB76308 [0,2,0,0,0,0|2,0,0]=4 1386 B10R1.176 Cc1c(ccc(n1)CCl)Cl AB83321 [0,2,0,0,0,0|2,0,0]=4 1387 B10R1.176 Cc1c(ccc(n1)CCl)F AB83035 [0,2,0,0,0,0|2,0,0]=4 1388 B10R1.176 Cc1c(ccc(n1)CN)Cl AB75079 [0,2,0,0,0,0|2,0,0]=4 1389 B10R1.176 Cc1c(ccc(n1)CN)F AB75158 [0,2,0,0,0,0|2,0,0]=4 1390 B10R1.176 Cc1cc(ccc1Br)C#N AB01529 [0,2,0,0,0,0|1,0,1]=4 1391 B10R1.176 Cc1cc(ccc1Br)C=O AB42951 [0,2,0,0,0,0|0,0,2]=4 1392 B10R1.176 Cc1cc(ccc1Br)CO AB50387 [0,2,0,0,0,0|0,0,0]=2 1393 B10R1.176 Cc1cc(ccc1Br)NN AB12016 [0,2,0,0,0,0|2,0,0]=4 1394 B10R1.176 Cc1cc(ccc1Cl)C=O AB11800 [0,2,0,0,0,0|0,0,2]=4 1395 B10R1.176 Cc1cc(ccc1Cl)NN AB13351 [0,2,0,0,0,0|2,0,0]=4 1396 B10R1.176 Cc1cc(ccc1O)C#N MB10144 [0,2,0,0,0,0|1,0,1]=4 1397 B10R1.176 Cc1cc(ccc1O)CN MB05062 [0,2,0,0,0,0|1,0,0]=3 1398 B10R1.176 Cc1cc(ccc1O)NC MB07546 [0,2,0,0,0,0|2,0,0]=4 1399 B10R1.176 Cc1cc(cnc1C)CCl AB75391 [0,2,0,0,0,0|2,0,0]=4 1400 B10R1.176 Cc1cc(cnc1C)CN AB70585 [0,2,0,0,0,0|2,0,0]=4 1401 B10R1.176 Cc1cc(cnc1Cl)CCl AB50053 [0,2,0,0,0,0|2,0,0]=4 1402 B10R1.176 Cc1cc(cnc1Cl)CN AB74569 [0,2,0,0,0,0|2,0,0]=4 1403 B10R1.176 Cc1cc(cnc1F)CCl AB64242 [0,2,0,0,0,0|2,0,0]=4 1404 B10R1.176 Cc1cc(cnc1F)CN AB83087 [0,2,0,0,0,0|2,0,0]=4 1405 B10R1.176 Cc1cc(ncc1Br)CN AB41153 [0,2,0,0,0,0|2,0,0]=4 1406 B10R1.176 Cc1cc(ncc1C)CCl AB64952 [0,2,0,0,0,0|2,0,0]=4 1407 B10R1.176 Cc1cc(ncc1C)CN AB65468 [0,2,0,0,0,0|2,0,0]=4 1408 B10R1.176 Cc1cc(ncc1Cl)CCl AB75108 [0,2,0,0,0,0|2,0,0]=4 1409 B10R1.176 Cc1cc(ncc1Cl)CN AB41152 [0,2,0,0,0,0|2,0,0]=4 1410 B10R1.176 Cc1cc(ncc1F)CCl AB84689 [0,2,0,0,0,0|2,0,0]=4 1411 B10R1.176 Cc1cc(ncc1F)CN AB74877 [0,2,0,0,0,0|2,0,0]=4 1412 B10R1.176 Cc1ccc(cc1Br)C#N AB29736 [0,2,0,0,0,0|1,0,1]=4 1413 B10R1.176 Cc1ccc(cc1O)C#N MB06106 [0,2,0,0,0,0|1,0,1]=4 1414 B10R1.176 Cc1ccc(cc1O)C=O MB01933 [0,2,0,0,0,0|0,0,2]=4 1415 B10R1.176 Cc1ccc(cc1O)NC MB25401 [0,2,0,0,0,0|2,0,0]=4 1416 B10R1.176 Cc1ccc(cc1O)OC MB11905 [0,2,0,0,0,0|2,0,0]=4 1417 B10R1.176 Cc1ccc(cc1O)SC MB25438 [0,2,0,0,0,0|2,0,0]=4 1418 B10R1.176 Cc1ccc(nc1C)CCl AB64955 [0,2,0,0,0,0|2,0,0]=4 1419 B10R1.176 Cc1ccc(nc1C)CN AB65463 [0,2,0,0,0,0|2,0,0]=4 1420 B10R1.176 Cc1ccc(nc1Cl)CCl AB75101 [0,2,0,0,0,0|2,0,0]=4 1421 B10R1.176 Cc1ccc(nc1Cl)CN AB75099 [0,2,0,0,0,0|2,0,0]=4 1422 B10R1.176 Cc1ccc(nc1F)CCl AB72849 [0,2,0,0,0,0|2,0,0]=4 1423 B10R1.176 Cc1ccc(nc1F)CN AB72850 [0,2,0,0,0,0|2,0,0]=4 1424 B10R1.176 Cc1cnc(cc1Br)CCl AB70165 [0,2,0,0,0,0|2,0,0]=4 1425 B10R1.176 Cc1cnc(cc1Br)CN AB70168 [0,2,0,0,0,0|2,0,0]=4 1426 B10R1.176 Cc1cnc(cc1Cl)CCl AB70036 [0,2,0,0,0,0|2,0,0]=4 1427 B10R1.176 Cc1cnc(cc1Cl)CN AB70034 [0,2,0,0,0,0|2,0,0]=4 1428 B10R1.176 Cc1cnc(cc1F)CCl AB82954 [0,2,0,0,0,0|2,0,0]=4 1429 B10R1.176 Cc1cnc(cc1F)CN AB82957 [0,2,0,0,0,0|2,0,0]=4 1430 B10R1.176 Cn1cc(ccc1=O)CN PB15234 [0,2,0,0,0,0|2,0,0]=4 1431 B10R1.176 Cn1cc(ccc1=O)CO PB22835 [0,2,0,0,0,0|1,0,0]=3 1432 B10R1.176 Cn1ccc(cc1=O)CN PB15227 [0,2,0,0,0,0|2,0,0]=4 1433 B10R1.176 Cn1ccc(cc1=O)CO PB18199 [0,2,0,0,0,0|1,0,0]=3 1434 B10R1.176 c1c(cnc(c1Cl)F)CCl AB70972 [0,2,0,0,0,0|2,0,0]=4 1435 B10R1.176 c1c(cnc(c1Cl)F)CN AB75050 [0,2,0,0,0,0|2,0,0]=4 1436 B10R1.176 c1c(cnc(c1Cl)N)CN AB83951 [0,2,0,0,0,0|2,0,0]=4 1437 B10R1.176 c1c(cnc(c1Cl)O)CCl AB70975 [0,2,0,0,0,0|2,0,0]=4 1438 B10R1.176 c1c(cnc(c1Cl)O)CN AB84069 [0,2,0,0,0,0|2,0,0]=4 1439 B10R1.176 c1c(cnc(c1F)Br)CCl AB70984 [0,2,0,0,0,0|2,0,0]=4 1440 B10R1.176 c1c(cnc(c1F)Br)CN AB76972 [0,2,0,0,0,0|2,0,0]=4 1441 B10R1.176 c1c(cnc(c1F)Cl)CCl AB70665 [0,2,0,0,0,0|2,0,0]=4 1442 B10R1.176 c1c(cnc(c1F)Cl)CN AB74576 [0,2,0,0,0,0|2,0,0]=4 1443 B10R1.176 c1c(cnc(c1O)Cl)CCl AB84103 [0,2,0,0,0,0|2,0,0]=4 1444 B10R1.176 c1c(cnc(c1O)Cl)CN AB84104 [0,2,0,0,0,0|2,0,0]=4 1445 B10R1.176 c1c(ncc(c1Cl)Cl)CCl AB70218 [0,2,0,0,0,0|2,0,0]=4 1446 B10R1.176 c1c(ncc(c1Cl)Cl)CN AB70217 [0,2,0,0,0,0|2,0,0]=4 1447 B10R1.176 c1c(ncc(c1Cl)F)CCl AB73175 [0,2,0,0,0,0|2,0,0]=4 1448 B10R1.176 c1c(ncc(c1Cl)F)CN AB73176 [0,2,0,0,0,0|2,0,0]=4 1449 B10R1.176 c1c(ncc(c1Cl)F)CO PB22370 [0,2,0,0,0,0|1,0,0]=3 1450 B10R1.176 c1c(ncc(c1Cl)N)CN AB83896 [0,2,0,0,0,0|2,0,0]=4 1451 B10R1.176 c1c(ncc(c1Cl)O)CCl AB84011 [0,2,0,0,0,0|2,0,0]=4 1452 B10R1.176 c1c(ncc(c1Cl)O)CN AB84014 [0,2,0,0,0,0|2,0,0]=4 1453 B10R1.176 c1c(ncc(c1F)Cl)CCl AB82987 [0,2,0,0,0,0|2,0,0]=4 1454 B10R1.176 c1c(ncc(c1F)Cl)CN AB82989 [0,2,0,0,0,0|2,0,0]=4 1455 B10R1.176 c1c(ncc(c1N)Cl)CN AB83917 [0,2,0,0,0,0|2,0,0]=4 1456 B10R1.176 c1c(ncc(c1O)Cl)CCl AB84042 [0,2,0,0,0,0|2,0,0]=4 1457 B10R1.176 c1c(ncc(c1O)Cl)CN AB84044 [0,2,0,0,0,0|2,0,0]=4 1458 B10R1.176 c1cc(c(cc1C#N)F)N AB02282 [0,2,0,0,0,0|1,0,1]=4 1459 B10R1.176 c1cc(c(cc1C#N)I)N AB17464 [0,2,0,0,0,0|1,0,1]=4 1460 B10R1.176 c1cc(c(cc1C#N)I)O MB09222 [0,2,0,0,0,0|1,0,1]=4 1461 B10R1.176 c1cc(c(cc1C#N)O)Br MB25476 [0,2,0,0,0,0|1,0,1]=4 1462 B10R1.176 c1cc(c(cc1C#N)O)Cl MB25577 [0,2,0,0,0,0|1,0,1]=4 1463 B10R1.176 c1cc(c(cc1C#N)O)I MB12046 [0,2,0,0,0,0|1,0,1]=4 1464 B10R1.176 c1cc(c(cc1C#N)O)N MB03898 [0,2,0,0,0,0|1,0,1]=4 1465 B10R1.176 c1cc(c(cc1C=O)Cl)Br AB43050 [0,2,0,0,0,0|0,0,2]=4 1466 B10R1.176 c1cc(c(cc1C=O)I)F AB44172 [0,2,0,0,0,0|0,0,2]=4 1467 B10R1.176 c1cc(c(cc1C=O)I)O MB00259 [0,2,0,0,0,0|0,0,2]=4 1468 B10R1.176 c1cc(c(cc1C=O)N)O MB13575 [0,2,0,0,0,0|0,0,2]=4 1469 B10R1.176 c1cc(c(cc1C=O)O)Br MB09255 [0,2,0,0,0,0|0,0,2]=4 1470 B10R1.176 c1cc(c(cc1C=O)O)Cl MB25536 [0,2,0,0,0,0|0,0,2]=4 1471 B10R1.176 c1cc(c(cc1C=O)O)F MB09319 [0,2,0,0,0,0|0,0,2]=4 1472 B10R1.176 c1cc(c(cc1C=O)O)N MB34962 [0,2,0,0,0,0|0,0,2]=4 1473 B10R1.176 c1cc(c(cc1CBr)I)F AB44169 [0,2,0,0,0,0|1,0,0]=3 1474 B10R1.176 c1cc(c(cc1CN)Br)O MB02719 [0,2,0,0,0,0|1,0,0]=3 1475 B10R1.176 c1cc(c(cc1CN)Cl)O MB03734 [0,2,0,0,0,0|1,0,0]=3 1476 B10R1.176 c1cc(c(cc1CN)F)N AB50278 [0,2,0,0,0,0|1,0,0]=3 1477 B10R1.176 c1cc(c(cc1CN)F)O MB03723 [0,2,0,0,0,0|1,0,0]=3 1478 B10R1.176 c1cc(c(cc1CN)I)O MB27028 [0,2,0,0,0,0|1,0,0]=3 1479 B10R1.176 c1cc(c(cc1CN)N)O MB37291 [0,2,0,0,0,0|1,0,0]=3 1480 B10R1.176 c1cc(c(cc1CN)O)Br MB27292 [0,2,0,0,0,0|1,0,0]=3 1481 B10R1.176 c1cc(c(cc1CN)O)Cl MB25545 [0,2,0,0,0,0|1,0,0]=3 1482 B10R1.176 c1cc(c(cc1CN)O)F MB35973 [0,2,0,0,0,0|1,0,0]=3 1483 B10R1.176 c1cc(c(cc1CN)O)I MB25685 [0,2,0,0,0,0|1,0,0]=3 1484 B10R1.176 c1cc(c(cc1CN)O)N MB29053 [0,2,0,0,0,0|1,0,0]=3 1485 B10R1.176 c1cc(c(cc1CO)F)Br AB44195 [0,2,0,0,0,0|0,0,0]=2 1486 B10R1.176 c1cc(c(cc1NN)F)F AB13306 [0,2,0,0,0,0|2,0,0]=4 1487 B10R1.176 c1cc(c(nc1CCl)Cl)F AB70988 [0,2,0,0,0,0|2,0,0]=4 1488 B10R1.176 c1cc(c(nc1CCl)Cl)O AB76573 [0,2,0,0,0,0|2,0,0]=4 1489 B10R1.176 c1cc(c(nc1CCl)F)Cl AB70993 [0,2,0,0,0,0|2,0,0]=4 1490 B10R1.176 c1cc(c(nc1CCl)O)Cl AB71004 [0,2,0,0,0,0|2,0,0]=4 1491 B10R1.176 c1cc(c(nc1CN)Cl)F AB75033 [0,2,0,0,0,0|2,0,0]=4 1492 B10R1.176 c1cc(c(nc1CN)Cl)O AB84096 [0,2,0,0,0,0|2,0,0]=4 1493 B10R1.176 c1cc(c(nc1CN)F)Cl AB72853 [0,2,0,0,0,0|2,0,0]=4 1494 B10R1.176 c1cc(c(nc1CN)F)F AB72858 [0,2,0,0,0,0|2,0,0]=4 1495 B10R1.176 c1cc(c(nc1CN)O)Cl AB84086 [0,2,0,0,0,0|2,0,0]=4 1496 B10R1.2 CCc1cccc(c1Br)O MB24080 [0,2,0,0,0,0|1,0,0]=3 1497 B10R1.2 CCc1cccc(c1C)O MB24030 [0,2,0,0,0,0|1,0,0]=3 1498 B10R1.2 CCc1cccc(c1Cl)O MB24081 [0,2,0,0,0,0|1,0,0]=3 1499 B10R1.2 CCc1cccc(c1F)O MB24054 [0,2,0,0,0,0|1,0,0]=3 1500 B10R1.2 CCc1cccc(c1I)O MB24055 [0,2,0,0,0,0|1,0,0]=3 1501 B10R1.2 CCc1cccc(c1N)O MB24059 [0,2,0,0,0,0|1,0,0]=3 1502 B10R1.2 CCc1cccc(c1O)Br MB02008 [0,2,0,0,0,0|1,0,0]=3 1503 B10R1.2 CCc1cccc(c1O)Cl MB02005 [0,2,0,0,0,0|1,0,0]=3 1504 B10R1.2 CCc1cccc(c1O)F MB24014 [0,2,0,0,0,0|1,0,0]=3 1505 B10R1.2 CCc1cccc(c1O)I MB24016 [0,2,0,0,0,0|1,0,0]=3 1506 B10R1.2 CCc1cccc(c1O)N MB24022 [0,2,0,0,0,0|1,0,0]=3 1507 B10R1.2 CNc1cccc(c1Br)O MB28270 [0,2,0,0,0,0|2,0,0]=4 1508 B10R1.2 CNc1cccc(c1Cl)O MB26964 [0,2,0,0,0,0|2,0,0]=4 1509 B10R1.2 CNc1cccc(c1F)O MB34647 [0,2,0,0,0,0|2,0,0]=4 1510 B10R1.2 CNc1cccc(c1I)O MB29498 [0,2,0,0,0,0|2,0,0]=4 1511 B10R1.2 CNc1cccc(c1N)O MB33054 [0,2,0,0,0,0|2,0,0]=4 1512 B10R1.2 CNc1cccc(c1O)Br MB26263 [0,2,0,0,0,0|2,0,0]=4 1513 B10R1.2 CNc1cccc(c1O)Cl MB33654 [0,2,0,0,0,0|2,0,0]=4 1514 B10R1.2 CNc1cccc(c1O)F MB28274 [0,2,0,0,0,0|2,0,0]=4 1515 B10R1.2 CNc1cccc(c1O)I MB32214 [0,2,0,0,0,0|2,0,0]=4 1516 B10R1.2 CNc1cccc(c1O)N MB33525 [0,2,0,0,0,0|2,0,0]=4 1517 B10R1.2 COc1cccc(c1Br)O MB06929 [0,2,0,0,0,0|2,0,0]=4 1518 B10R1.2 COc1cccc(c1Cl)N PB11874 [0,2,0,0,0,0|2,0,0]=4 1519 B10R1.2 COc1cccc(c1Cl)O MB06074 [0,2,0,0,0,0|2,0,0]=4 1520 B10R1.2 COc1cccc(c1F)O MB09318 [0,2,0,0,0,0|2,0,0]=4 1521 B10R1.2 COc1cccc(c1I)O MB14766 [0,2,0,0,0,0|2,0,0]=4 1522 B10R1.2 COc1cccc(c1N)O MB12204 [0,2,0,0,0,0|2,0,0]=4 1523 B10R1.2 COc1cccc(c1O)Br PB18847 [0,2,0,0,0,0|2,0,0]=4 1524 B10R1.2 COc1cccc(c1O)Cl MB25402 [0,2,0,0,0,0|2,0,0]=4 1525 B10R1.2 COc1cccc(c1O)I MB09225 [0,2,0,0,0,0|2,0,0]=4 1526 B10R1.2 COc1cccc(c1O)N MB25613 [0,2,0,0,0,0|2,0,0]=4 1527 B10R1.2 CSc1cccc(c1Br)O MB26789 [0,2,0,0,0,0|2,0,0]=4 1528 B10R1.2 CSc1cccc(c1Cl)O MB33312 [0,2,0,0,0,0|2,0,0]=4 1529 B10R1.2 CSc1cccc(c1F)O MB25404 [0,2,0,0,0,0|2,0,0]=4 1530 B10R1.2 CSc1cccc(c1I)O MB31760 [0,2,0,0,0,0|2,0,0]=4 1531 B10R1.2 CSc1cccc(c1N)O MB32351 [0,2,0,0,0,0|2,0,0]=4 1532 B10R1.2 CSc1cccc(c1O)Cl MB27718 [0,2,0,0,0,0|2,0,0]=4 1533 B10R1.2 CSc1cccc(c1O)F MB25614 [0,2,0,0,0,0|2,0,0]=4 1534 B10R1.2 CSc1cccc(c1O)I MB28360 [0,2,0,0,0,0|2,0,0]=4 1535 B10R1.2 CSc1cccc(c1O)N MB28757 [0,2,0,0,0,0|2,0,0]=4 1536 B10R1.2 Cc1c(c(ccn1)CCl)Cl AB71122 [0,2,0,0,0,0|2,0,0]=4 1537 B10R1.2 Cc1c(c(ccn1)CN)Cl AB75137 [0,2,0,0,0,0|2,0,0]=4 1538 B10R1.2 Cc1c(cccc1Br)C#N CB11199 [0,2,0,0,0,0|1,0,1]=4 1539 B10R1.2 Cc1c(cccc1O)C#N MB02463 [0,2,0,0,0,0|1,0,1]=4 1540 B10R1.2 Cc1c(cccc1O)C=O MB08410 [0,2,0,0,0,0|0,0,2]=4 1541 B10R1.2 Cc1c(cccc1O)NC MB37053 [0,2,0,0,0,0|2,0,0]=4 1542 B10R1.2 Cc1c(cccc1OC)O MB09432 [0,2,0,0,0,0|2,0,0]=4 1543 B10R1.2 Cc1c(cccc1SC)O MB35924 [0,2,0,0,0,0|2,0,0]=4 1544 B10R1.2 Cc1c(ccnc1CCl)Cl AB75387 [0,2,0,0,0,0|2,0,0]=4 1545 B10R1.2 Cc1c(ccnc1CCl)F AB82925 [0,2,0,0,0,0|2,0,0]=4 1546 B10R1.2 Cc1c(ccnc1CN)Br AB40727 [0,2,0,0,0,0|2,0,0]=4 1547 B10R1.2 Cc1c(ccnc1CN)Cl AB40719 [0,2,0,0,0,0|2,0,0]=4 1548 B10R1.2 Cc1c(ccnc1CN)F AB82928 [0,2,0,0,0,0|2,0,0]=4 1549 B10R1.2 Cc1c(ccnc1CO)Br AB53756 [0,2,0,0,0,0|1,0,0]=3 1550 B10R1.2 Cc1c(ccnc1Cl)CCl AB71116 [0,2,0,0,0,0|2,0,0]=4 1551 B10R1.2 Cc1c(ccnc1Cl)CN AB72647 [0,2,0,0,0,0|2,0,0]=4 1552 B10R1.2 Cc1c(ccnc1F)CCl AB71238 [0,2,0,0,0,0|2,0,0]=4 1553 B10R1.2 Cc1c(ccnc1F)CN AB82854 [0,2,0,0,0,0|2,0,0]=4 1554 B10R1.2 Cc1c(cncc1Cl)CCl AB83287 [0,2,0,0,0,0|2,0,0]=4 1555 B10R1.2 Cc1c(cncc1Cl)CN AB83289 [0,2,0,0,0,0|2,0,0]=4 1556 B10R1.2 Cc1c(nccc1CCl)C AB75402 [0,2,0,0,0,0|2,0,0]=4 1557 B10R1.2 Cc1c(nccc1CN)C AB75354 [0,2,0,0,0,0|2,0,0]=4 1558 B10R1.2 Cc1c(nccc1CO)C AB62891 [0,2,0,0,0,0|1,0,0]=3 1559 B10R1.2 Cc1cccc(c1N)C#N MB08131 [0,2,0,0,0,0|1,0,1]=4 1560 B10R1.2 Cc1cccc(c1N)CN MB08906 [0,2,0,0,0,0|1,0,0]=3 1561 B10R1.2 Cc1cccc(c1N)OC AB02877 [0,2,0,0,0,0|2,0,0]=4 1562 B10R1.2 Cc1cccc(c1O)C#N MB07838 [0,2,0,0,0,0|1,0,1]=4 1563 B10R1.2 Cc1cccc(c1O)CN MB05058 [0,2,0,0,0,0|1,0,0]=3 1564 B10R1.2 Cc1cccc(c1O)NC MB31993 [0,2,0,0,0,0|2,0,0]=4 1565 B10R1.2 Cc1cccc(c1O)SC MB31066 [0,2,0,0,0,0|2,0,0]=4 1566 B10R1.2 Cc1ccnc(c1C)CCl AB49318 [0,2,0,0,0,0|2,0,0]=4 1567 B10R1.2 Cc1ccnc(c1C)CN AB76790 [0,2,0,0,0,0|2,0,0]=4 1568 B10R1.2 Cc1ccnc(c1Cl)CCl AB83300 [0,2,0,0,0,0|2,0,0]=4 1569 B10R1.2 Cc1ccnc(c1Cl)CN AB83302 [0,2,0,0,0,0|2,0,0]=4 1570 B10R1.2 Cc1cncc(c1C)CCl AB75396 [0,2,0,0,0,0|2,0,0]=4 1571 B10R1.2 Cc1cncc(c1C)CN AB76787 [0,2,0,0,0,0|2,0,0]=4 1572 B10R1.2 Cc1cncc(c1Cl)CCl AB83266 [0,2,0,0,0,0|2,0,0]=4 1573 B10R1.2 Cc1cncc(c1Cl)CN AB83269 [0,2,0,0,0,0|2,0,0]=4 1574 B10R1.2 Cc1cncc(c1F)CCl AB82938 [0,2,0,0,0,0|2,0,0]=4 1575 B10R1.2 Cc1cncc(c1F)CN AB82941 [0,2,0,0,0,0|2,0,0]=4 1576 B10R1.2 Cn1cccc(c1=O)CN PB24240 [0,2,0,0,0,0|2,0,0]=4 1577 B10R1.2 Cn1cccc(c1=O)CO PB13713 [0,2,0,0,0,0|1,0,0]=3 1578 B10R1.2 c1c(c(c(cn1)Cl)F)CCl AB82974 [0,2,0,0,0,0|2,0,0]=4 1579 B10R1.2 c1c(c(c(cn1)Cl)F)CN AB75056 [0,2,0,0,0,0|2,0,0]=4 1580 B10R1.2 c1c(c(c(cn1)Cl)N)CN AB83904 [0,2,0,0,0,0|2,0,0]=4 1581 B10R1.2 c1c(c(c(cn1)Cl)O)CCl AB84031 [0,2,0,0,0,0|2,0,0]=4 1582 B10R1.2 c1c(c(c(cn1)Cl)O)CN AB84033 [0,2,0,0,0,0|2,0,0]=4 1583 B10R1.2 c1c(c(c(cn1)F)Cl)CCl AB83148 [0,2,0,0,0,0|2,0,0]=4 1584 B10R1.2 c1c(c(c(cn1)F)Cl)CN AB83149 [0,2,0,0,0,0|2,0,0]=4 1585 B10R1.2 c1c(c(c(cn1)N)Cl)CN AB83884 [0,2,0,0,0,0|2,0,0]=4 1586 B10R1.2 c1c(c(c(cn1)O)Cl)CCl AB83999 [0,2,0,0,0,0|2,0,0]=4 1587 B10R1.2 c1c(c(c(cn1)O)Cl)CN AB84000 [0,2,0,0,0,0|2,0,0]=4 1588 B10R1.2 c1cc(c(c(c1)Br)Cl)C#N CB11304 [0,2,0,0,0,0|1,0,1]=4 1589 B10R1.2 c1cc(c(c(c1)Br)O)C#N PB14860 [0,2,0,0,0,0|1,0,1]=4 1590 B10R1.2 c1cc(c(c(c1)Br)O)C=O AB01203 [0,2,0,0,0,0|0,0,2]=4 1591 B10R1.2 c1cc(c(c(c1)Br)O)CN MB05060 [0,2,0,0,0,0|1,0,0]=3 1592 B10R1.2 c1cc(c(c(c1)Cl)Br)C#N MB08912 [0,2,0,0,0,0|1,0,1]=4 1593 B10R1.2 c1cc(c(c(c1)Cl)Br)C=O MB08895 [0,2,0,0,0,0|0,0,2]=4 1594 B10R1.2 c1cc(c(c(c1)Cl)F)C=O AB09379 [0,2,0,0,0,0|0,0,2]=4 1595 B10R1.2 c1cc(c(c(c1)Cl)I)C#N AB72108 [0,2,0,0,0,0|1,0,1]=4 1596 B10R1.2 c1cc(c(c(c1)Cl)O)C#N MB08412 [0,2,0,0,0,0|1,0,1]=4 1597 B10R1.2 c1cc(c(c(c1)Cl)O)C=O AB21383 [0,2,0,0,0,0|0,0,2]=4 1598 B10R1.2 c1cc(c(c(c1)Cl)O)CN MB34616 [0,2,0,0,0,0|1,0,0]=3 1599 B10R1.2 c1cc(c(c(c1)F)Br)C#N AB32074 [0,2,0,0,0,0|1,0,1]=4 1600 B10R1.2 c1cc(c(c(c1)F)F)CCl AB13673 [0,2,0,0,0,0|1,0,0]=3 1601 B10R1.2 c1cc(c(c(c1)F)O)C#N MB11932 [0,2,0,0,0,0|1,0,1]=4 1602 B10R1.2 c1cc(c(c(c1)F)O)C=O AB00313 [0,2,0,0,0,0|0,0,2]=4 1603 B10R1.2 c1cc(c(c(c1)F)O)CN MB05070 [0,2,0,0,0,0|1,0,0]=3 1604 B10R1.2 c1cc(c(c(c1)I)O)C#N MB14863 [0,2,0,0,0,0|1,0,1]=4 1605 B10R1.2 c1cc(c(c(c1)I)O)C=O MB12368 [0,2,0,0,0,0|0,0,2]=4 1606 B10R1.2 c1cc(c(c(c1)I)O)CN MB29107 [0,2,0,0,0,0|1,0,0]=3 1607 B10R1.2 c1cc(c(c(c1)N)F)C#N AB43380 [0,2,0,0,0,0|1,0,1]=4 1608 B10R1.2 c1cc(c(c(c1)N)F)CN AB65760 [0,2,0,0,0,0|1,0,0]=3 1609 B10R1.2 c1cc(c(c(c1)N)O)C#N MB02411 [0,2,0,0,0,0|1,0,1]=4 1610 B10R1.2 c1cc(c(c(c1)N)O)CN MB34782 [0,2,0,0,0,0|1,0,0]=3 1611 B10R1.2 c1cc(c(c(c1)O)Br)C#N MB07308 [0,2,0,0,0,0|1,0,1]=4 1612 B10R1.2 c1cc(c(c(c1)O)Br)C=O AB03304 [0,2,0,0,0,0|0,0,2]=4 1613 B10R1.2 c1cc(c(c(c1)O)Br)CN MB08516 [0,2,0,0,0,0|1,0,0]=3 1614 B10R1.2 c1cc(c(c(c1)O)Cl)C#N MB10145 [0,2,0,0,0,0|1,0,1]=4 1615 B10R1.2 c1cc(c(c(c1)O)F)C=O AB63446 [0,2,0,0,0,0|0,0,2]=4 1616 B10R1.2 c1cc(c(c(c1)O)F)CN MB25461 [0,2,0,0,0,0|1,0,0]=3 1617 B10R1.2 c1cc(c(c(c1)O)I)C#N MB28827 [0,2,0,0,0,0|1,0,1]=4 1618 B10R1.2 c1cc(c(c(c1)O)I)C=O MB07518 [0,2,0,0,0,0|0,0,2]=4 1619 B10R1.2 c1cc(c(c(c1)O)I)CN MB34403 [0,2,0,0,0,0|1,0,0]=3 1620 B10R1.2 c1cc(c(c(c1)O)N)C#N MB09969 [0,2,0,0,0,0|1,0,1]=4 1621 B10R1.2 c1cc(c(c(c1)O)N)C=O MB38000 [0,2,0,0,0,0|0,0,2]=4 1622 B10R1.2 c1cc(c(c(c1)O)N)CN MB35261 [0,2,0,0,0,0|1,0,0]=3 1623 B10R1.2 c1cnc(c(c1CCl)Cl)F AB66313 [0,2,0,0,0,0|2,0,0]=4 1624 B10R1.2 c1cnc(c(c1CCl)Cl)O AB71003 [0,2,0,0,0,0|2,0,0]=4 1625 B10R1.2 c1cnc(c(c1CCl)F)Cl AB70985 [0,2,0,0,0,0|2,0,0]=4 1626 B10R1.2 c1cnc(c(c1CCl)O)Cl AB71002 [0,2,0,0,0,0|2,0,0]=4 1627 B10R1.2 c1cnc(c(c1CN)Cl)F AB66314 [0,2,0,0,0,0|2,0,0]=4 1628 B10R1.2 c1cnc(c(c1CN)Cl)N AB83937 [0,2,0,0,0,0|2,0,0]=4 1629 B10R1.2 c1cnc(c(c1CN)F)Cl AB76202 [0,2,0,0,0,0|2,0,0]=4 1630 B10R1.2 c1cnc(c(c1CN)O)Cl AB76795 [0,2,0,0,0,0|2,0,0]=4 1631 B10R1.2 c1cnc(c(c1Cl)F)CCl AB70769 [0,2,0,0,0,0|2,0,0]=4 1632 B10R1.2 c1cnc(c(c1Cl)F)CN AB70770 [0,2,0,0,0,0|2,0,0]=4 1633 B10R1.2 c1cnc(c(c1Cl)O)CCl AB83984 [0,2,0,0,0,0|2,0,0]=4 1634 B10R1.2 c1cnc(c(c1Cl)O)CN AB76801 [0,2,0,0,0,0|2,0,0]=4 1635 B10R1.2 c1cnc(c(c1F)Cl)CCl AB83006 [0,2,0,0,0,0|2,0,0]=4 1636 B10R1.2 c1cnc(c(c1F)Cl)CN AB83007 [0,2,0,0,0,0|2,0,0]=4 1637 B10R1.2 c1cnc(c(c1N)Cl)CN AB83927 [0,2,0,0,0,0|2,0,0]=4 1638 B10R1.2 c1cnc(c(c1O)Cl)CCl AB84054 [0,2,0,0,0,0|2,0,0]=4 1639 B10R1.2 c1cnc(c(c1O)Cl)CN AB84056 [0,2,0,0,0,0|2,0,0]=4 1640 B10R1.8 C#Cc1cc(cc(c1)F)F AB17470 [0,2,0,0,0,0|1,0,1]=4 1641 B10R1.8 CCc1cc(cc(c1)Br)O MB23717 [0,2,0,0,0,0|1,0,0]=3 1642 B10R1.8 CCc1cc(cc(c1)Cl)O MB23719 [0,2,0,0,0,0|1,0,0]=3 1643 B10R1.8 CCc1cc(cc(c1)F)O MB23700 [0,2,0,0,0,0|1,0,0]=3 1644 B10R1.8 CCc1cc(cc(c1)I)O MB23702 [0,2,0,0,0,0|1,0,0]=3 1645 B10R1.8 CCc1cc(cc(c1)O)N MB23659 [0,2,0,0,0,0|1,0,0]=3 1646 B10R1.8 CNc1cc(cc(c1)Cl)O MB29202 [0,2,0,0,0,0|2,0,0]=4 1647 B10R1.8 CNc1cc(cc(c1)F)O MB30811 [0,2,0,0,0,0|2,0,0]=4 1648 B10R1.8 CNc1cc(cc(c1)O)N MB33447 [0,2,0,0,0,0|2,0,0]=4 1649 B10R1.8 COc1cc(cc(c1)Br)Cl AB62692 [0,2,0,0,0,0|2,0,0]=4 1650 B10R1.8 COc1cc(cc(c1)Br)N AB65032 [0,2,0,0,0,0|2,0,0]=4 1651 B10R1.8 COc1cc(cc(c1)Br)O AB65533 [0,2,0,0,0,0|2,0,0]=4 1652 B10R1.8 COc1cc(cc(c1)Cl)O MB00121 [0,2,0,0,0,0|2,0,0]=4 1653 B10R1.8 COc1cc(cc(c1)F)O MB10146 [0,2,0,0,0,0|2,0,0]=4 1654 B10R1.8 COc1cc(cc(c1)I)O MB11865 [0,2,0,0,0,0|2,0,0]=4 1655 B10R1.8 COc1cc(cc(c1)O)N MB25612 [0,2,0,0,0,0|2,0,0]=4 1656 B10R1.8 CSc1cc(cc(c1)Br)O MB36767 [0,2,0,0,0,0|2,0,0]=4 1657 B10R1.8 CSc1cc(cc(c1)Cl)O MB28354 [0,2,0,0,0,0|2,0,0]=4 1658 B10R1.8 CSc1cc(cc(c1)F)O MB34115 [0,2,0,0,0,0|2,0,0]=4 1659 B10R1.8 CSc1cc(cc(c1)I)O MB32212 [0,2,0,0,0,0|2,0,0]=4 1660 B10R1.8 CSc1cc(cc(c1)O)N MB38338 [0,2,0,0,0,0|2,0,0]=4 1661 B10R1.8 Cc1cc(cc(c1)Br)C=O AB53369 [0,2,0,0,0,0|0,0,2]=4 1662 B10R1.8 Cc1cc(cc(c1)Br)CCl AB71866 [0,2,0,0,0,0|1,0,0]=3 1663 B10R1.8 Cc1cc(cc(c1)Br)CN AB75545 [0,2,0,0,0,0|1,0,0]=3 1664 B10R1.8 Cc1cc(cc(c1)Br)OC AB43364 [0,2,0,0,0,0|2,0,0]=4 1665 B10R1.8 Cc1cc(cc(c1)C=O)C AB03134 [0,2,0,0,0,0|0,0,2]=4 1666 B10R1.8 Cc1cc(cc(c1)CCl)C AB56154 [0,2,0,0,0,0|1,0,0]=3 1667 B10R1.8 Cc1cc(cc(c1)CN)C AB01824 [0,2,0,0,0,0|1,0,0]=3 1668 B10R1.8 Cc1cc(cc(c1)Cl)C=O AB64288 [0,2,0,0,0,0|0,0,2]=4 1669 B10R1.8 Cc1cc(cc(c1)Cl)CCl AB75575 [0,2,0,0,0,0|1,0,0]=3 1670 B10R1.8 Cc1cc(cc(c1)Cl)CN AB75470 [0,2,0,0,0,0|1,0,0]=3 1671 B10R1.8 Cc1cc(cc(c1)Cl)OC MB05593 [0,2,0,0,0,0|2,0,0]=4 1672 B10R1.8 Cc1cc(cc(c1)F)C=O AB13319 [0,2,0,0,0,0|0,0,2]=4 1673 B10R1.8 Cc1cc(cc(c1)F)CCl AB66782 [0,2,0,0,0,0|1,0,0]=3 1674 B10R1.8 Cc1cc(cc(c1)F)CN AB23427 [0,2,0,0,0,0|1,0,0]=3 1675 B10R1.8 Cc1cc(cc(c1)I)C=O AB75646 [0,2,0,0,0,0|0,0,2]=4 1676 B10R1.8 Cc1cc(cc(c1)I)CCl AB75649 [0,2,0,0,0,0|1,0,0]=3 1677 B10R1.8 Cc1cc(cc(c1)I)CN AB75648 [0,2,0,0,0,0|1,0,0]=3 1678 B10R1.8 Cc1cc(cc(c1)N)CN AB75515 [0,2,0,0,0,0|1,0,0]=3 1679 B10R1.8 Cc1cc(cc(c1)O)C#N MB25636 [0,2,0,0,0,0|1,0,1]=4 1680 B10R1.8 Cc1cc(cc(c1)O)C=O AB71633 [0,2,0,0,0,0|0,0,2]=4 1681 B10R1.8 Cc1cc(cc(c1)O)CN AB71617 [0,2,0,0,0,0|1,0,0]=3 1682 B10R1.8 Cc1cc(cc(c1)O)NC MB25938 [0,2,0,0,0,0|2,0,0]=4 1683 B10R1.8 Cc1cc(cc(c1)SC)O MB37868 [0,2,0,0,0,0|2,0,0]=4 1684 B10R1.8 Cc1cc(cc(n1)Br)CCl AB71050 [0,2,0,0,0,0|2,0,0]=4 1685 B10R1.8 Cc1cc(cc(n1)Br)CN AB68161 [0,2,0,0,0,0|2,0,0]=4 1686 B10R1.8 Cc1cc(cc(n1)C)CCl AB68655 [0,2,0,0,0,0|2,0,0]=4 1687 B10R1.8 Cc1cc(cc(n1)C)CN AB65427 [0,2,0,0,0,0|2,0,0]=4 1688 B10R1.8 Cc1cc(cc(n1)CCl)Br AB68657 [0,2,0,0,0,0|2,0,0]=4 1689 B10R1.8 Cc1cc(cc(n1)CCl)Cl AB74787 [0,2,0,0,0,0|2,0,0]=4 1690 B10R1.8 Cc1cc(cc(n1)CCl)F AB78533 [0,2,0,0,0,0|2,0,0]=4 1691 B10R1.8 Cc1cc(cc(n1)CCl)I AB78583 [0,2,0,0,0,0|2,0,0]=4 1692 B10R1.8 Cc1cc(cc(n1)CCl)O AB78458 [0,2,0,0,0,0|2,0,0]=4 1693 B10R1.8 Cc1cc(cc(n1)CN)Br AB40798 [0,2,0,0,0,0|2,0,0]=4 1694 B10R1.8 Cc1cc(cc(n1)CN)Cl AB40810 [0,2,0,0,0,0|2,0,0]=4 1695 B10R1.8 Cc1cc(cc(n1)CN)F AB80224 [0,2,0,0,0,0|2,0,0]=4 1696 B10R1.8 Cc1cc(cc(n1)CN)I AB80278 [0,2,0,0,0,0|2,0,0]=4 1697 B10R1.8 Cc1cc(cc(n1)CN)N AB80135 [0,2,0,0,0,0|2,0,0]=4 1698 B10R1.8 Cc1cc(cc(n1)CN)O AB80150 [0,2,0,0,0,0|2,0,0]=4 1699 B10R1.8 Cc1cc(cc(n1)CO)Br AB40787 [0,2,0,0,0,0|1,0,0]=3 1700 B10R1.8 Cc1cc(cc(n1)CO)Cl AB40801 [0,2,0,0,0,0|1,0,0]=3 1701 B10R1.8 Cc1cc(cc(n1)Cl)CCl AB70698 [0,2,0,0,0,0|2,0,0]=4 1702 B10R1.8 Cc1cc(cc(n1)Cl)CN AB68142 [0,2,0,0,0,0|2,0,0]=4 1703 B10R1.8 Cc1cc(cc(n1)F)CCl AB70706 [0,2,0,0,0,0|2,0,0]=4 1704 B10R1.8 Cc1cc(cc(n1)F)CN AB80402 [0,2,0,0,0,0|2,0,0]=4 1705 B10R1.8 Cc1cc(cc(n1)I)CCl AB78738 [0,2,0,0,0,0|2,0,0]=4 1706 B10R1.8 Cc1cc(cc(n1)I)CN AB80462 [0,2,0,0,0,0|2,0,0]=4 1707 B10R1.8 Cc1cc(cc(n1)N)CCl AB70871 [0,2,0,0,0,0|2,0,0]=4 1708 B10R1.8 Cc1cc(cc(n1)N)CN AB80499 [0,2,0,0,0,0|2,0,0]=4 1709 B10R1.8 Cc1cc(cc(n1)O)CN AB80512 [0,2,0,0,0,0|2,0,0]=4 1710 B10R1.8 Cc1cc(nc(c1)Br)CCl AB78392 [0,2,0,0,0,0|2,0,0]=4 1711 B10R1.8 Cc1cc(nc(c1)Br)CN AB80078 [0,2,0,0,0,0|2,0,0]=4 1712 B10R1.8 Cc1cc(nc(c1)CCl)C AB64959 [0,2,0,0,0,0|2,0,0]=4 1713 B10R1.8 Cc1cc(nc(c1)CN)C AB62613 [0,2,0,0,0,0|2,0,0]=4 1714 B10R1.8 Cc1cc(nc(c1)Cl)CCl AB71015 [0,2,0,0,0,0|2,0,0]=4 1715 B10R1.8 Cc1cc(nc(c1)Cl)CN AB75106 [0,2,0,0,0,0|2,0,0]=4 1716 B10R1.8 Cc1cc(nc(c1)F)CCl AB78353 [0,2,0,0,0,0|2,0,0]=4 1717 B10R1.8 Cc1cc(nc(c1)F)CN AB80035 [0,2,0,0,0,0|2,0,0]=4 1718 B10R1.8 Cc1cc(nc(c1)I)CCl AB78408 [0,2,0,0,0,0|2,0,0]=4 1719 B10R1.8 Cc1cc(nc(c1)I)CN AB80096 [0,2,0,0,0,0|2,0,0]=4 1720 B10R1.8 Cc1cc(nc(c1)N)CN AB76142 [0,2,0,0,0,0|2,0,0]=4 1721 B10R1.8 Cc1cc(nc(c1)O)CN AB80331 [0,2,0,0,0,0|2,0,0]=4 1722 B10R1.8 c1c(cc(cc1Br)Br)C=O AB04160 [0,2,0,0,0,0|0,0,2]=4 1723 B10R1.8 c1c(cc(cc1Br)Br)CCl AB64268 [0,2,0,0,0,0|1,0,0]=3 1724 B10R1.8 c1c(cc(cc1Br)Br)CN AB14081 [0,2,0,0,0,0|1,0,0]=3 1725 B10R1.8 c1c(cc(cc1Br)I)C=O AB42478 [0,2,0,0,0,0|0,0,2]=4 1726 B10R1.8 c1c(cc(cc1Br)I)CCl AB75535 [0,2,0,0,0,0|1,0,0]=3 1727 B10R1.8 c1c(cc(cc1Br)I)CN AB75533 [0,2,0,0,0,0|1,0,0]=3 1728 B10R1.8 c1c(cc(cc1Cl)Br)C#N AB23056 [0,2,0,0,0,0|1,0,1]=4 1729 B10R1.8 c1c(cc(cc1Cl)Br)C=O AB29574 [0,2,0,0,0,0|0,0,2]=4 1730 B10R1.8 c1c(cc(cc1Cl)Br)CN AB65611 [0,2,0,0,0,0|1,0,0]=3 1731 B10R1.8 c1c(cc(cc1Cl)Cl)C=O AB00316 [0,2,0,0,0,0|0,0,2]=4 1732 B10R1.8 c1c(cc(cc1Cl)Cl)CBr MB08756 [0,2,0,0,0,0|1,0,0]=3 1733 B10R1.8 c1c(cc(cc1Cl)Cl)CCl AB02384 [0,2,0,0,0,0|1,0,0]=3 1734 B10R1.8 c1c(cc(cc1Cl)Cl)CN AB02207 [0,2,0,0,0,0|1,0,0]=3 1735 B10R1.8 c1c(cc(cc1Cl)I)C=O AB65246 [0,2,0,0,0,0|0,0,2]=4 1736 B10R1.8 c1c(cc(cc1Cl)I)CCl AB75567 [0,2,0,0,0,0|1,0,0]=3 1737 B10R1.8 c1c(cc(cc1Cl)I)CN AB66525 [0,2,0,0,0,0|1,0,0]=3 1738 B10R1.8 c1c(cc(cc1F)Br)C#N AB17049 [0,2,0,0,0,0|1,0,1]=4 1739 B10R1.8 c1c(cc(cc1F)Br)C=O AB20677 [0,2,0,0,0,0|0,0,2]=4 1740 B10R1.8 c1c(cc(cc1F)Br)CCl AB64454 [0,2,0,0,0,0|1,0,0]=3 1741 B10R1.8 c1c(cc(cc1F)Br)CN AB64453 [0,2,0,0,0,0|1,0,0]=3 1742 B10R1.8 c1c(cc(cc1F)Br)CO AB20678 [0,2,0,0,0,0|0,0,0]=2 1743 B10R1.8 c1c(cc(cc1F)Cl)C=O AB11796 [0,2,0,0,0,0|0,0,2]=4 1744 B10R1.8 c1c(cc(cc1F)Cl)CCl AB63445 [0,2,0,0,0,0|1,0,0]=3 1745 B10R1.8 c1c(cc(cc1F)Cl)CN AB23446 [0,2,0,0,0,0|1,0,0]=3 1746 B10R1.8 c1c(cc(cc1F)F)C=O AB01034 [0,2,0,0,0,0|0,0,2]=4 1747 B10R1.8 c1c(cc(cc1F)F)CCl AB08246 [0,2,0,0,0,0|1,0,0]=3 1748 B10R1.8 c1c(cc(cc1F)F)CN AB02411 [0,2,0,0,0,0|1,0,0]=3 1749 B10R1.8 c1c(cc(cc1F)I)C=O AB42482 [0,2,0,0,0,0|0,0,2]=4 1750 B10R1.8 c1c(cc(cc1F)I)CCl AB75628 [0,2,0,0,0,0|1,0,0]=3 1751 B10R1.8 c1c(cc(cc1F)I)CN AB23372 [0,2,0,0,0,0|1,0,0]=3 1752 B10R1.8 c1c(cc(cc1I)I)C=O AB42481 [0,2,0,0,0,0|0,0,2]=4 1753 B10R1.8 c1c(cc(cc1I)I)CCl AB76608 [0,2,0,0,0,0|1,0,0]=3 1754 B10R1.8 c1c(cc(cc1I)I)CN AB77860 [0,2,0,0,0,0|1,0,0]=3 1755 B10R1.8 c1c(cc(cc1N)Br)CN AB75504 [0,2,0,0,0,0|1,0,0]=3 1756 B10R1.8 c1c(cc(cc1N)Cl)CN AB48602 [0,2,0,0,0,0|1,0,0]=3 1757 B10R1.8 c1c(cc(cc1N)Cl)CO AB63846 [0,2,0,0,0,0|0,0,0]=2 1758 B10R1.8 c1c(cc(cc1N)F)CN AB65614 [0,2,0,0,0,0|1,0,0]=3 1759 B10R1.8 c1c(cc(cc1N)I)CN AB75507 [0,2,0,0,0,0|1,0,0]=3 1760 B10R1.8 c1c(cc(cc1N)N)CN AB77912 [0,2,0,0,0,0|1,0,0]=3 1761 B10R1.8 c1c(cc(cc1N)O)C#N MB37280 [0,2,0,0,0,0|1,0,1]=4 1762 B10R1.8 c1c(cc(cc1N)O)C=O MB35596 [0,2,0,0,0,0|0,0,2]=4 1763 B10R1.8 c1c(cc(cc1N)O)CN AB71618 [0,2,0,0,0,0|1,0,0]=3 1764 B10R1.8 c1c(cc(cc1O)Br)C#N MB14979 [0,2,0,0,0,0|1,0,1]=4 1765 B10R1.8 c1c(cc(cc1O)Br)C=O AB29745 [0,2,0,0,0,0|0,0,2]=4 1766 B10R1.8 c1c(cc(cc1O)Br)CN AB71630 [0,2,0,0,0,0|1,0,0]=3 1767 B10R1.8 c1c(cc(cc1O)Cl)C=O AB43616 [0,2,0,0,0,0|0,0,2]=4 1768 B10R1.8 c1c(cc(cc1O)Cl)CN AB64548 [0,2,0,0,0,0|1,0,0]=3 1769 B10R1.8 c1c(cc(cc1O)Cl)CO AB43614 [0,2,0,0,0,0|0,0,0]=2 1770 B10R1.8 c1c(cc(cc1O)F)C=O AB66765 [0,2,0,0,0,0|0,0,2]=4 1771 B10R1.8 c1c(cc(cc1O)F)CN AB70799 [0,2,0,0,0,0|1,0,0]=3 1772 B10R1.8 c1c(cc(cc1O)I)C=O AB71641 [0,2,0,0,0,0|0,0,2]=4 1773 B10R1.8 c1c(cc(cc1O)I)CN AB71624 [0,2,0,0,0,0|1,0,0]=3 1774 B10R1.8 c1c(cc(cc1O)O)C=O AB01206 [0,2,0,0,0,0|0,0,2]=4 1775 B10R1.8 c1c(cc(cc1O)O)CN AB14084 [0,2,0,0,0,0|1,0,0]=3 1776 B10R1.8 c1c(cc(nc1Br)Br)CCl AB70981 [0,2,0,0,0,0|2,0,0]=4 1777 B10R1.8 c1c(cc(nc1Br)Br)CN AB75356 [0,2,0,0,0,0|2,0,0]=4 1778 B10R1.8 c1c(cc(nc1Br)Br)CO PB29704 [0,2,0,0,0,0|1,0,0]=3 1779 B10R1.8 c1c(cc(nc1Br)I)CCl AB78720 [0,2,0,0,0,0|2,0,0]=4 1780 B10R1.8 c1c(cc(nc1Br)I)CN AB80437 [0,2,0,0,0,0|2,0,0]=4 1781 B10R1.8 c1c(cc(nc1CCl)Br)Br AB78385 [0,2,0,0,0,0|2,0,0]=4 1782 B10R1.8 c1c(cc(nc1CCl)Br)Cl AB78552 [0,2,0,0,0,0|2,0,0]=4 1783 B10R1.8 c1c(cc(nc1CCl)Br)F AB78526 [0,2,0,0,0,0|2,0,0]=4 1784 B10R1.8 c1c(cc(nc1CCl)Br)I AB78387 [0,2,0,0,0,0|2,0,0]=4 1785 B10R1.8 c1c(cc(nc1CCl)Br)O AB78405 [0,2,0,0,0,0|2,0,0]=4 1786 B10R1.8 c1c(cc(nc1CCl)Cl)Br AB78369 [0,2,0,0,0,0|2,0,0]=4 1787 B10R1.8 c1c(cc(nc1CCl)Cl)Cl AB74558 [0,2,0,0,0,0|2,0,0]=4 1788 B10R1.8 c1c(cc(nc1CCl)Cl)F AB78523 [0,2,0,0,0,0|2,0,0]=4 1789 B10R1.8 c1c(cc(nc1CCl)Cl)I AB78371 [0,2,0,0,0,0|2,0,0]=4 1790 B10R1.8 c1c(cc(nc1CCl)Cl)O AB78384 [0,2,0,0,0,0|2,0,0]=4 1791 B10R1.8 c1c(cc(nc1CCl)F)Br AB72841 [0,2,0,0,0,0|2,0,0]=4 1792 B10R1.8 c1c(cc(nc1CCl)F)Cl AB78349 [0,2,0,0,0,0|2,0,0]=4 1793 B10R1.8 c1c(cc(nc1CCl)F)F AB78346 [0,2,0,0,0,0|2,0,0]=4 1794 B10R1.8 c1c(cc(nc1CCl)F)I AB78352 [0,2,0,0,0,0|2,0,0]=4 1795 B10R1.8 c1c(cc(nc1CCl)F)O AB78366 [0,2,0,0,0,0|2,0,0]=4 1796 B10R1.8 c1c(cc(nc1CCl)I)Br AB78567 [0,2,0,0,0,0|2,0,0]=4 1797 B10R1.8 c1c(cc(nc1CCl)I)Cl AB78555 [0,2,0,0,0,0|2,0,0]=4 1798 B10R1.8 c1c(cc(nc1CCl)I)F AB78529 [0,2,0,0,0,0|2,0,0]=4 1799 B10R1.8 c1c(cc(nc1CCl)I)O AB78424 [0,2,0,0,0,0|2,0,0]=4 1800 B10R1.8 c1c(cc(nc1CCl)N)F AB78536 [0,2,0,0,0,0|2,0,0]=4 1801 B10R1.8 c1c(cc(nc1CN)Br)Br AB80071 [0,2,0,0,0,0|2,0,0]=4 1802 B10R1.8 c1c(cc(nc1CN)Br)Cl AB75027 [0,2,0,0,0,0|2,0,0]=4 1803 B10R1.8 c1c(cc(nc1CN)Br)F AB80221 [0,2,0,0,0,0|2,0,0]=4 1804 B10R1.8 c1c(cc(nc1CN)Br)I AB80074 [0,2,0,0,0,0|2,0,0]=4 1805 B10R1.8 c1c(cc(nc1CN)Br)N AB74598 [0,2,0,0,0,0|2,0,0]=4 1806 B10R1.8 c1c(cc(nc1CN)Br)O AB80093 [0,2,0,0,0,0|2,0,0]=4 1807 B10R1.8 c1c(cc(nc1CN)Cl)Br AB80055 [0,2,0,0,0,0|2,0,0]=4 1808 B10R1.8 c1c(cc(nc1CN)Cl)Cl AB62527 [0,2,0,0,0,0|2,0,0]=4 1809 B10R1.8 c1c(cc(nc1CN)Cl)F AB80218 [0,2,0,0,0,0|2,0,0]=4 1810 B10R1.8 c1c(cc(nc1CN)Cl)I AB80057 [0,2,0,0,0,0|2,0,0]=4 1811 B10R1.8 c1c(cc(nc1CN)Cl)N AB80061 [0,2,0,0,0,0|2,0,0]=4 1812 B10R1.8 c1c(cc(nc1CN)Cl)O AB80068 [0,2,0,0,0,0|2,0,0]=4 1813 B10R1.8 c1c(cc(nc1CN)F)Br AB72834 [0,2,0,0,0,0|2,0,0]=4 1814 B10R1.8 c1c(cc(nc1CN)F)Cl AB80030 [0,2,0,0,0,0|2,0,0]=4 1815 B10R1.8 c1c(cc(nc1CN)F)F AB80027 [0,2,0,0,0,0|2,0,0]=4 1816 B10R1.8 c1c(cc(nc1CN)F)I AB80031 [0,2,0,0,0,0|2,0,0]=4 1817 B10R1.8 c1c(cc(nc1CN)F)N AB80039 [0,2,0,0,0,0|2,0,0]=4 1818 B10R1.8 c1c(cc(nc1CN)F)O AB80053 [0,2,0,0,0,0|2,0,0]=4 1819 B10R1.8 c1c(cc(nc1CN)I)Br AB80260 [0,2,0,0,0,0|2,0,0]=4 1820 B10R1.8 c1c(cc(nc1CN)I)Cl AB80246 [0,2,0,0,0,0|2,0,0]=4 1821 B10R1.8 c1c(cc(nc1CN)I)F AB80222 [0,2,0,0,0,0|2,0,0]=4 1822 B10R1.8 c1c(cc(nc1CN)I)N AB80101 [0,2,0,0,0,0|2,0,0]=4 1823 B10R1.8 c1c(cc(nc1CN)I)O AB80112 [0,2,0,0,0,0|2,0,0]=4 1824 B10R1.8 c1c(cc(nc1CN)N)Br AB80266 [0,2,0,0,0,0|2,0,0]=4 1825 B10R1.8 c1c(cc(nc1CN)N)Cl AB80252 [0,2,0,0,0,0|2,0,0]=4 1826 B10R1.8 c1c(cc(nc1CN)N)F AB80230 [0,2,0,0,0,0|2,0,0]=4 1827 B10R1.8 c1c(cc(nc1CN)N)I AB80282 [0,2,0,0,0,0|2,0,0]=4 1828 B10R1.8 c1c(cc(nc1CN)N)N AB80197 [0,2,0,0,0,0|2,0,0]=4 1829 B10R1.8 c1c(cc(nc1CN)N)O AB80194 [0,2,0,0,0,0|2,0,0]=4 1830 B10R1.8 c1c(cc(nc1CN)O)Br AB80276 [0,2,0,0,0,0|2,0,0]=4 1831 B10R1.8 c1c(cc(nc1CN)O)Cl AB80258 [0,2,0,0,0,0|2,0,0]=4 1832 B10R1.8 c1c(cc(nc1CN)O)F AB80245 [0,2,0,0,0,0|2,0,0]=4 1833 B10R1.8 c1c(cc(nc1CN)O)I AB80296 [0,2,0,0,0,0|2,0,0]=4 1834 B10R1.8 c1c(cc(nc1CN)O)N AB80381 [0,2,0,0,0,0|2,0,0]=4 1835 B10R1.8 c1c(cc(nc1CN)O)O AB80216 [0,2,0,0,0,0|2,0,0]=4 1836 B10R1.8 c1c(cc(nc1Cl)Br)CCl AB70693 [0,2,0,0,0,0|2,0,0]=4 1837 B10R1.8 c1c(cc(nc1Cl)Br)CN AB68222 [0,2,0,0,0,0|2,0,0]=4 1838 B10R1.8 c1c(cc(nc1Cl)Cl)CCl AB15881 [0,2,0,0,0,0|2,0,0]=4 1839 B10R1.8 c1c(cc(nc1Cl)Cl)CN AB23327 [0,2,0,0,0,0|2,0,0]=4 1840 B10R1.8 c1c(cc(nc1Cl)I)CCl AB78704 [0,2,0,0,0,0|2,0,0]=4 1841 B10R1.8 c1c(cc(nc1Cl)I)CN AB80418 [0,2,0,0,0,0|2,0,0]=4 1842 B10R1.8 c1c(cc(nc1F)Br)CCl AB70773 [0,2,0,0,0,0|2,0,0]=4 1843 B10R1.8 c1c(cc(nc1F)Br)CN AB80398 [0,2,0,0,0,0|2,0,0]=4 1844 B10R1.8 c1c(cc(nc1F)Cl)CCl AB70992 [0,2,0,0,0,0|2,0,0]=4 1845 B10R1.8 c1c(cc(nc1F)Cl)CN AB80397 [0,2,0,0,0,0|2,0,0]=4 1846 B10R1.8 c1c(cc(nc1N)Br)CCl AB78725 [0,2,0,0,0,0|2,0,0]=4 1847 B10R1.8 c1c(cc(nc1N)Br)CN AB80444 [0,2,0,0,0,0|2,0,0]=4 1848 B10R1.8 c1c(cc(nc1N)Cl)CCl AB78712 [0,2,0,0,0,0|2,0,0]=4 1849 B10R1.8 c1c(cc(nc1N)Cl)CN AB80426 [0,2,0,0,0,0|2,0,0]=4 1850 B10R1.8 c1c(cc(nc1N)F)CCl AB78698 [0,2,0,0,0,0|2,0,0]=4 1851 B10R1.8 c1c(cc(nc1N)F)CN AB80407 [0,2,0,0,0,0|2,0,0]=4 1852 B10R1.8 c1c(cc(nc1N)I)CCl AB78742 [0,2,0,0,0,0|2,0,0]=4 1853 B10R1.8 c1c(cc(nc1N)I)CN AB80465 [0,2,0,0,0,0|2,0,0]=4 1854 B10R1.8 c1c(cc(nc1N)N)CCl AB78821 [0,2,0,0,0,0|2,0,0]=4 1855 B10R1.8 c1c(cc(nc1N)N)CN AB76251 [0,2,0,0,0,0|2,0,0]=4 1856 B10R1.8 c1c(cc(nc1N)O)CCl AB78820 [0,2,0,0,0,0|2,0,0]=4 1857 B10R1.8 c1c(cc(nc1N)O)CN AB80546 [0,2,0,0,0,0|2,0,0]=4 1858 B10R1.8 c1c(cc(nc1O)Br)CCl AB78733 [0,2,0,0,0,0|2,0,0]=4 1859 B10R1.8 c1c(cc(nc1O)Br)CN AB80459 [0,2,0,0,0,0|2,0,0]=4 1860 B10R1.8 c1c(cc(nc1O)Cl)CCl AB70974 [0,2,0,0,0,0|2,0,0]=4 1861 B10R1.8 c1c(cc(nc1O)Cl)CN AB80436 [0,2,0,0,0,0|2,0,0]=4 1862 B10R1.8 c1c(cc(nc1O)F)CCl AB71234 [0,2,0,0,0,0|2,0,0]=4 1863 B10R1.8 c1c(cc(nc1O)F)CN AB80417 [0,2,0,0,0,0|2,0,0]=4 1864 B10R1.8 c1c(cc(nc1O)I)CCl AB78754 [0,2,0,0,0,0|2,0,0]=4 1865 B10R1.8 c1c(cc(nc1O)I)CN AB80476 [0,2,0,0,0,0|2,0,0]=4 1866 B10R1.8 c1c(cc(nc1O)O)CCl AB78842 [0,2,0,0,0,0|2,0,0]=4 1867 B10R1.8 c1c(cc(nc1O)O)CN AB80567 [0,2,0,0,0,0|2,0,0]=4 1868 B10R1.10 C#CCc1cccc(c1)Br AB61399 [0,2,0,0,0,0|1,0,0]=3 1869 B10R1.10 C#CCc1cccc(c1)Cl AB61396 [0,2,0,0,0,0|1,0,0]=3 1870 B10R1.10 C#CCc1cccc(c1)I AB73228 [0,2,0,0,0,0|1,0,0]=3 1871 B10R1.10 CCCc1cccc(n1)N AB03673 [0,2,0,0,0,0|2,0,0]=4 1872 B10R1.10 CCCc1ccnc(c1)N AB03633 [0,2,0,0,0,0|2,0,0]=4 1873 B10R1.10 CCOc1cc(ccn1)Br AB05209 [0,2,0,0,0,0|2,0,0]=4 1874 B10R1.10 CCOc1cc(ccn1)N AB05301 [0,2,0,0,0,0|2,0,0]=4 1875 B10R1.10 CCOc1cc(cnc1)Br AB05134 [0,2,0,0,0,0|2,0,0]=4 1876 B10R1.10 CCOc1cccc(n1)Br AB05279 [0,2,0,0,0,0|2,0,0]=4 1877 B10R1.10 CCOc1cccc(n1)N AB05302 [0,2,0,0,0,0|2,0,0]=4 1878 B10R1.10 CCOc1ccnc(c1)N AB09620 [0,2,0,0,0,0|2,0,0]=4 1879 B10R1.10 CNCc1cc(ccn1)Br AB40680 [0,2,0,0,0,0|2,0,0]=4 1880 B10R1.10 CNCc1cc(ccn1)Cl AB40676 [0,2,0,0,0,0|2,0,0]=4 1881 B10R1.10 CNCc1cc(ccn1)F AB68057 [0,2,0,0,0,0|2,0,0]=4 1882 B10R1.10 CNCc1cc(ccn1)N AB40666 [0,2,0,0,0,0|2,0,0]=4 1883 B10R1.10 CNCc1cc(cnc1)Br AB41067 [0,2,0,0,0,0|2,0,0]=4 1884 B10R1.10 CNCc1cc(cnc1)Cl AB67611 [0,2,0,0,0,0|2,0,0]=4 1885 B10R1.10 CNCc1cc(cnc1)F AB67670 [0,2,0,0,0,0|2,0,0]=4 1886 B10R1.10 CNCc1cc(cnc1)N AB67751 [0,2,0,0,0,0|2,0,0]=4 1887 B10R1.10 CNCc1cccc(n1)Br AB48344 [0,2,0,0,0,0|2,0,0]=4 1888 B10R1.10 CNCc1cccc(n1)Cl AB67315 [0,2,0,0,0,0|2,0,0]=4 1889 B10R1.10 CNCc1cccc(n1)F AB72833 [0,2,0,0,0,0|2,0,0]=4 1890 B10R1.10 CNCc1ccnc(c1)Br AB67272 [0,2,0,0,0,0|2,0,0]=4 1891 B10R1.10 CNCc1ccnc(c1)Cl AB25401 [0,2,0,0,0,0|2,0,0]=4 1892 B10R1.10 Cc1cc(ccn1)CCN AB55165 [0,2,0,0,0,0|2,0,0]=4 1893 B10R1.10 Cc1cc(ccn1)CNC AB53841 [0,2,0,0,0,0|2,0,0]=4 1894 B10R1.10 Cc1cc(ccn1)\C=N\O AB72010 [0,2,0,0,0,0|1,0,1]=4 1895 B10R1.10 Cc1cc(cnc1)CCN AB55190 [0,2,0,0,0,0|2,0,0]=4 1896 B10R1.10 Cc1cc(cnc1)CNC AB67507 [0,2,0,0,0,0|2,0,0]=4 1897 B10R1.10 Cc1cccc(c1)CC=O AB11815 [0,2,0,0,0,0|0,0,1]=3 1898 B10R1.10 Cc1cccc(n1)CCN AB17067 [0,2,0,0,0,0|2,0,0]=4 1899 B10R1.10 Cc1cccc(n1)CNC AB01381 [0,2,0,0,0,0|2,0,0]=4 1900 B10R1.10 Cc1ccnc(c1)CNC AB52584 [0,2,0,0,0,0|2,0,0]=4 1901 B10R1.10 c1c(cncc1Br)CC#N PB14457 [0,2,0,0,0,0|2,0,0]=4 1902 B10R1.10 c1c(cncc1Br)CCN AB41071 [0,2,0,0,0,0|2,0,0]=4 1903 B10R1.10 c1c(cncc1Br)CNN PB37854 [0,2,0,0,0,0|2,0,0]=4 1904 B10R1.10 c1c(cncc1Cl)CCN AB67621 [0,2,0,0,0,0|2,0,0]=4 1905 B10R1.10 c1c(cncc1F)CC#N PB29755 [0,2,0,0,0,0|2,0,0]=4 1906 B10R1.10 c1c(cncc1F)CCN AB55166 [0,2,0,0,0,0|2,0,0]=4 1907 B10R1.10 c1c(cncc1N)CCN AB67760 [0,2,0,0,0,0|2,0,0]=4 1908 B10R1.10 c1cc(cc(c1)Br)CC#N AB00173 [0,2,0,0,0,0|1,0,0]=3 1909 B10R1.10 c1cc(cc(c1)Br)CC=O AB11787 [0,2,0,0,0,0|0,0,1]=3 1910 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [0,2,0,0,0,0|1,0,0]=3 1911 B10R1.10 c1cc(cc(c1)Br)CNN PB10474 [0,2,0,0,0,0|1,0,0]=3 1912 B10R1.10 c1cc(cc(c1)Br)\C=C\Br AB73510 [0,2,0,0,0,0|1,0,1]=4 1913 B10R1.10 c1cc(cc(c1)Br)\C=N\O AB03839 [0,2,0,0,0,0|0,0,1]=3 1914 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [0,2,0,0,0,0|0,0,1]=3 1915 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [0,2,0,0,0,0|1,0,0]=3 1916 B10R1.10 c1cc(cc(c1)Cl)CNN PB23504 [0,2,0,0,0,0|1,0,0]=3 1917 B10R1.10 c1cc(cc(c1)F)CC=O AB11802 [0,2,0,0,0,0|0,0,1]=3 1918 B10R1.10 c1cc(cc(c1)F)CNN PB22082 [0,2,0,0,0,0|1,0,0]=3 1919 B10R1.10 c1cc(cc(c1)N)CC#N AB13852 [0,2,0,0,0,0|1,0,0]=3 1920 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [0,2,0,0,0,0|1,0,0]=3 1921 B10R1.10 c1cc(cc(c1)O)CC#N AB13855 [0,2,0,0,0,0|1,0,0]=3 1922 B10R1.10 c1cc(nc(c1)Br)CC#N AB48704 [0,2,0,0,0,0|2,0,0]=4 1923 B10R1.10 c1cc(nc(c1)Br)CCN AB45432 [0,2,0,0,0,0|2,0,0]=4 1924 B10R1.10 c1cc(nc(c1)Br)CCO CB11431 [0,2,0,0,0,0|1,0,0]=3 1925 B10R1.10 c1cc(nc(c1)Cl)CC#N AB51195 [0,2,0,0,0,0|2,0,0]=4 1926 B10R1.10 c1cc(nc(c1)Cl)CCN AB67354 [0,2,0,0,0,0|2,0,0]=4 1927 B10R1.10 c1cc(nc(c1)F)CC#N AB55154 [0,2,0,0,0,0|2,0,0]=4 1928 B10R1.10 c1cc(nc(c1)F)CCN AB45492 [0,2,0,0,0,0|2,0,0]=4 1929 B10R1.10 c1cc(nc(c1)F)CCO AB55227 [0,2,0,0,0,0|1,0,0]=3 1930 B10R1.10 c1cc(nc(c1)N)CCN AB55667 [0,2,0,0,0,0|2,0,0]=4 1931 B10R1.10 c1cnc(cc1Br)CCN AB55853 [0,2,0,0,0,0|2,0,0]=4 1932 B10R1.10 c1cnc(cc1CC#N)Br AB63148 [0,2,0,0,0,0|2,0,0]=4 1933 B10R1.10 c1cnc(cc1CC#N)F AB55155 [0,2,0,0,0,0|2,0,0]=4 1934 B10R1.10 c1cnc(cc1CCBr)F AB72866 [0,2,0,0,0,0|2,0,0]=4 1935 B10R1.10 c1cnc(cc1CCN)Br AB45468 [0,2,0,0,0,0|2,0,0]=4 1936 B10R1.10 c1cnc(cc1CCN)Cl AB45448 [0,2,0,0,0,0|2,0,0]=4 1937 B10R1.10 c1cnc(cc1CCN)F AB55184 [0,2,0,0,0,0|2,0,0]=4 1938 B10R1.10 c1cnc(cc1Cl)CCN AB65496 [0,2,0,0,0,0|2,0,0]=4 1939 B10R1.10 c1cnc(cc1F)CCN AB55195 [0,2,0,0,0,0|2,0,0]=4 1940 B10R1.30 CCc1cc(ccc1Br)O MB23770 [0,2,0,0,0,0|1,0,0]=3 1941 B10R1.30 CCc1cc(ccc1C)O MB23722 [0,2,0,0,0,0|1,0,0]=3 1942 B10R1.30 CCc1cc(ccc1F)O MB23754 [0,2,0,0,0,0|1,0,0]=3 1943 B10R1.30 CCc1cc(ccc1I)O MB09270 [0,2,0,0,0,0|1,0,0]=3 1944 B10R1.30 CCc1cc(ccc1N)O MB23757 [0,2,0,0,0,0|1,0,0]=3 1945 B10R1.30 CCc1cc(ccc1O)Br MB00480 [0,2,0,0,0,0|1,0,0]=3 1946 B10R1.30 CCc1cc(ccc1O)C MB23622 [0,2,0,0,0,0|1,0,0]=3 1947 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [0,2,0,0,0,0|1,0,0]=3 1948 B10R1.30 CCc1cc(ccc1O)I MB23657 [0,2,0,0,0,0|1,0,0]=3 1949 B10R1.30 CCc1cc(ccc1O)N MB23663 [0,2,0,0,0,0|1,0,0]=3 1950 B10R1.30 CNc1cc(ccc1Cl)O MB30361 [0,2,0,0,0,0|2,0,0]=4 1951 B10R1.30 CNc1cc(ccc1F)O MB28645 [0,2,0,0,0,0|2,0,0]=4 1952 B10R1.30 CNc1cc(ccc1I)O MB33108 [0,2,0,0,0,0|2,0,0]=4 1953 B10R1.30 CNc1cc(ccc1N)O MB33092 [0,2,0,0,0,0|2,0,0]=4 1954 B10R1.30 CNc1cc(ccc1O)Br MB32072 [0,2,0,0,0,0|2,0,0]=4 1955 B10R1.30 CNc1cc(ccc1O)F MB26737 [0,2,0,0,0,0|2,0,0]=4 1956 B10R1.30 CNc1cc(ccc1O)I MB35760 [0,2,0,0,0,0|2,0,0]=4 1957 B10R1.30 CNc1cc(ccc1O)N MB28647 [0,2,0,0,0,0|2,0,0]=4 1958 B10R1.30 COc1cc(ccc1Br)O MB00359 [0,2,0,0,0,0|2,0,0]=4 1959 B10R1.30 COc1cc(ccc1Cl)O MB25434 [0,2,0,0,0,0|2,0,0]=4 1960 B10R1.30 COc1cc(ccc1F)O MB08744 [0,2,0,0,0,0|2,0,0]=4 1961 B10R1.30 COc1cc(ccc1I)Br CB11560 [0,2,0,0,0,0|2,0,0]=4 1962 B10R1.30 COc1cc(ccc1I)O MB29625 [0,2,0,0,0,0|2,0,0]=4 1963 B10R1.30 COc1cc(ccc1N)F MB00562 [0,2,0,0,0,0|2,0,0]=4 1964 B10R1.30 COc1cc(ccc1N)O MB01122 [0,2,0,0,0,0|2,0,0]=4 1965 B10R1.30 COc1cc(ccc1O)Br PB30583 [0,2,0,0,0,0|2,0,0]=4 1966 B10R1.30 COc1cc(ccc1O)I MB05217 [0,2,0,0,0,0|2,0,0]=4 1967 B10R1.30 CSc1cc(ccc1Br)O MB38334 [0,2,0,0,0,0|2,0,0]=4 1968 B10R1.30 CSc1cc(ccc1Cl)O MB38239 [0,2,0,0,0,0|2,0,0]=4 1969 B10R1.30 CSc1cc(ccc1F)O MB25679 [0,2,0,0,0,0|2,0,0]=4 1970 B10R1.30 CSc1cc(ccc1I)O MB30001 [0,2,0,0,0,0|2,0,0]=4 1971 B10R1.30 CSc1cc(ccc1N)O MB25516 [0,2,0,0,0,0|2,0,0]=4 1972 B10R1.30 CSc1cc(ccc1O)Br MB28713 [0,2,0,0,0,0|2,0,0]=4 1973 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [0,2,0,0,0,0|2,0,0]=4 1974 B10R1.30 CSc1cc(ccc1O)F MB35476 [0,2,0,0,0,0|2,0,0]=4 1975 B10R1.30 CSc1cc(ccc1O)N MB29519 [0,2,0,0,0,0|2,0,0]=4 1976 B10R1.30 Cc1c(cc(cn1)Cl)CN AB62431 [0,2,0,0,0,0|2,0,0]=4 1977 B10R1.30 Cc1cc(c(cn1)Br)CN AB68167 [0,2,0,0,0,0|2,0,0]=4 1978 B10R1.30 Cc1cc(c(cn1)C)CCl AB75401 [0,2,0,0,0,0|2,0,0]=4 1979 B10R1.30 Cc1cc(c(cn1)C)CN AB76782 [0,2,0,0,0,0|2,0,0]=4 1980 B10R1.30 Cc1cc(c(cn1)Cl)CN AB68151 [0,2,0,0,0,0|2,0,0]=4 1981 B10R1.30 Cc1cc(c(nc1)Br)CCl AB71047 [0,2,0,0,0,0|2,0,0]=4 1982 B10R1.30 Cc1cc(c(nc1)C)CCl AB75394 [0,2,0,0,0,0|2,0,0]=4 1983 B10R1.30 Cc1cc(c(nc1)C)CN AB76781 [0,2,0,0,0,0|2,0,0]=4 1984 B10R1.30 Cc1cc(c(nc1)Cl)CCl AB71113 [0,2,0,0,0,0|2,0,0]=4 1985 B10R1.30 Cc1cc(c(nc1)Cl)CN AB41819 [0,2,0,0,0,0|2,0,0]=4 1986 B10R1.30 Cc1cc(c(nc1)F)CCl AB71237 [0,2,0,0,0,0|2,0,0]=4 1987 B10R1.30 Cc1cc(c(nc1)F)CN AB65158 [0,2,0,0,0,0|2,0,0]=4 1988 B10R1.30 Cc1cc(c(nc1)N)CCl AB70870 [0,2,0,0,0,0|2,0,0]=4 1989 B10R1.30 Cc1ccc(c(c1)C#N)O MB36141 [0,2,0,0,0,0|1,0,1]=4 1990 B10R1.30 Cc1ccc(c(c1)C=O)N AB58438 [0,2,0,0,0,0|0,0,2]=4 1991 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [0,2,0,0,0,0|2,0,0]=4 1992 B10R1.30 Cc1ccc(c(n1)CN)Br AB68170 [0,2,0,0,0,0|2,0,0]=4 1993 B10R1.30 Cc1ccc(c(n1)CN)Cl AB68153 [0,2,0,0,0,0|2,0,0]=4 1994 B10R1.30 Cc1ccc(cc1C#N)O MB23451 [0,2,0,0,0,0|1,0,1]=4 1995 B10R1.30 Cc1ccc(cc1C=O)Cl AB63586 [0,2,0,0,0,0|0,0,2]=4 1996 B10R1.30 Cc1ccc(cc1C=O)O MB23457 [0,2,0,0,0,0|0,0,2]=4 1997 B10R1.30 Cc1ccc(cc1CBr)Cl CB11653 [0,2,0,0,0,0|1,0,0]=3 1998 B10R1.30 Cc1ccc(cc1CN)O MB26411 [0,2,0,0,0,0|1,0,0]=3 1999 B10R1.30 Cc1ccc(cc1NC)O MB36159 [0,2,0,0,0,0|2,0,0]=4 2000 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [0,2,0,0,0,0|2,0,0]=4 2001 B10R1.30 Cc1ccc(cc1OC)O MB25418 [0,2,0,0,0,0|2,0,0]=4 2002 B10R1.30 Cc1ccc(nc1CCl)C AB75390 [0,2,0,0,0,0|2,0,0]=4 2003 B10R1.30 Cc1ccc(nc1CCl)Cl AB75115 [0,2,0,0,0,0|2,0,0]=4 2004 B10R1.30 Cc1ccc(nc1CCl)F AB82887 [0,2,0,0,0,0|2,0,0]=4 2005 B10R1.30 Cc1ccc(nc1CN)C AB65466 [0,2,0,0,0,0|2,0,0]=4 2006 B10R1.30 Cc1ccc(nc1CN)Cl AB75112 [0,2,0,0,0,0|2,0,0]=4 2007 B10R1.30 Cc1ccc(nc1CN)F AB82890 [0,2,0,0,0,0|2,0,0]=4 2008 B10R1.30 Cc1cnc(cc1CCl)Cl AB71119 [0,2,0,0,0,0|2,0,0]=4 2009 B10R1.30 Cc1cnc(cc1CCl)F AB71241 [0,2,0,0,0,0|2,0,0]=4 2010 B10R1.30 Cc1cnc(cc1CN)Cl AB75278 [0,2,0,0,0,0|2,0,0]=4 2011 B10R1.30 Cc1cnc(cc1CN)F AB82870 [0,2,0,0,0,0|2,0,0]=4 2012 B10R1.30 c1c(c(cnc1Cl)Cl)CCl AB69878 [0,2,0,0,0,0|2,0,0]=4 2013 B10R1.30 c1c(c(cnc1Cl)Cl)CN AB68213 [0,2,0,0,0,0|2,0,0]=4 2014 B10R1.30 c1c(c(cnc1Cl)F)CCl AB70990 [0,2,0,0,0,0|2,0,0]=4 2015 B10R1.30 c1c(c(cnc1Cl)F)CN AB72294 [0,2,0,0,0,0|2,0,0]=4 2016 B10R1.30 c1c(cnc(c1CBr)N)Br AB44379 [0,2,0,0,0,0|2,0,0]=4 2017 B10R1.30 c1c(cnc(c1CCl)Cl)F AB70662 [0,2,0,0,0,0|2,0,0]=4 2018 B10R1.30 c1c(cnc(c1CCl)N)Br AB71006 [0,2,0,0,0,0|2,0,0]=4 2019 B10R1.30 c1c(cnc(c1CCl)N)Cl AB75385 [0,2,0,0,0,0|2,0,0]=4 2020 B10R1.30 c1c(cnc(c1CN)Cl)F AB65094 [0,2,0,0,0,0|2,0,0]=4 2021 B10R1.30 c1c(cnc(c1CN)F)Br PB16767 [0,2,0,0,0,0|2,0,0]=4 2022 B10R1.30 c1c(cnc(c1CO)Cl)Br PB17569 [0,2,0,0,0,0|1,0,0]=3 2023 B10R1.30 c1c(cnc(c1CO)Cl)F AB13672 [0,2,0,0,0,0|1,0,0]=3 2024 B10R1.30 c1c(cnc(c1CO)F)Br PB34780 [0,2,0,0,0,0|1,0,0]=3 2025 B10R1.30 c1c(cnc(c1CO)N)Br AB22233 [0,2,0,0,0,0|1,0,0]=3 2026 B10R1.30 c1c(cnc(c1CO)N)Br AB44376 [0,2,0,0,0,0|1,0,0]=3 2027 B10R1.30 c1c(cnc(c1CO)N)I AB21855 [0,2,0,0,0,0|1,0,0]=3 2028 B10R1.30 c1cc(c(cc1Br)C#N)N MB00791 [0,2,0,0,0,0|1,0,1]=4 2029 B10R1.30 c1cc(c(cc1Br)C=O)Br MB01225 [0,2,0,0,0,0|0,0,2]=4 2030 B10R1.30 c1cc(c(cc1Br)C=O)N AB58429 [0,2,0,0,0,0|0,0,2]=4 2031 B10R1.30 c1cc(c(cc1Br)CN)N AB23393 [0,2,0,0,0,0|1,0,0]=3 2032 B10R1.30 c1cc(c(cc1Br)CN)O AB10938 [0,2,0,0,0,0|1,0,0]=3 2033 B10R1.30 c1cc(c(cc1Br)CO)Cl MB02484 [0,2,0,0,0,0|0,0,0]=2 2034 B10R1.30 c1cc(c(cc1Br)CO)N MB05459 [0,2,0,0,0,0|0,0,0]=2 2035 B10R1.30 c1cc(c(cc1Br)NN)F AB13329 [0,2,0,0,0,0|2,0,0]=4 2036 B10R1.30 c1cc(c(cc1Cl)C#N)Br AB45293 [0,2,0,0,0,0|1,0,1]=4 2037 B10R1.30 c1cc(c(cc1Cl)C=O)O AB00314 [0,2,0,0,0,0|0,0,2]=4 2038 B10R1.30 c1cc(c(cc1Cl)CN)N AB23303 [0,2,0,0,0,0|1,0,0]=3 2039 B10R1.30 c1cc(c(cc1Cl)CN)O AB23336 [0,2,0,0,0,0|1,0,0]=3 2040 B10R1.30 c1cc(c(cc1Cl)CO)N MB00550 [0,2,0,0,0,0|0,0,0]=2 2041 B10R1.30 c1cc(c(cc1F)C#N)O MB10100 [0,2,0,0,0,0|1,0,1]=4 2042 B10R1.30 c1cc(c(cc1F)C=O)Br AB03821 [0,2,0,0,0,0|0,0,2]=4 2043 B10R1.30 c1cc(c(cc1F)C=O)N AB58443 [0,2,0,0,0,0|0,0,2]=4 2044 B10R1.30 c1cc(c(cc1F)CN)N AB23426 [0,2,0,0,0,0|1,0,0]=3 2045 B10R1.30 c1cc(c(cc1F)CN)O MB12059 [0,2,0,0,0,0|1,0,0]=3 2046 B10R1.30 c1cc(c(cc1F)CO)N MB05463 [0,2,0,0,0,0|0,0,0]=2 2047 B10R1.30 c1cc(c(cc1I)C#N)O MB02487 [0,2,0,0,0,0|1,0,1]=4 2048 B10R1.30 c1cc(c(cc1I)CBr)Cl AB43862 [0,2,0,0,0,0|1,0,0]=3 2049 B10R1.30 c1cc(c(cc1I)CN)Cl AB44524 [0,2,0,0,0,0|1,0,0]=3 2050 B10R1.30 c1cc(c(cc1I)CN)O MB08421 [0,2,0,0,0,0|1,0,0]=3 2051 B10R1.30 c1cc(c(cc1N)C#N)Cl AB07265 [0,2,0,0,0,0|1,0,1]=4 2052 B10R1.30 c1cc(c(cc1N)C#N)O MB01949 [0,2,0,0,0,0|1,0,1]=4 2053 B10R1.30 c1cc(c(cc1N)C=O)O MB01352 [0,2,0,0,0,0|0,0,2]=4 2054 B10R1.30 c1cc(c(cc1N)CN)F AB23413 [0,2,0,0,0,0|1,0,0]=3 2055 B10R1.30 c1cc(c(cc1N)CN)O MB10073 [0,2,0,0,0,0|1,0,0]=3 2056 B10R1.30 c1cc(c(cc1O)C#N)Br MB05213 [0,2,0,0,0,0|1,0,1]=4 2057 B10R1.30 c1cc(c(cc1O)C#N)Cl MB07522 [0,2,0,0,0,0|1,0,1]=4 2058 B10R1.30 c1cc(c(cc1O)C#N)I MB27967 [0,2,0,0,0,0|1,0,1]=4 2059 B10R1.30 c1cc(c(cc1O)C#N)N MB03902 [0,2,0,0,0,0|1,0,1]=4 2060 B10R1.30 c1cc(c(cc1O)C=O)Br AB13035 [0,2,0,0,0,0|0,0,2]=4 2061 B10R1.30 c1cc(c(cc1O)C=O)Cl MB05036 [0,2,0,0,0,0|0,0,2]=4 2062 B10R1.30 c1cc(c(cc1O)C=O)F MB06891 [0,2,0,0,0,0|0,0,2]=4 2063 B10R1.30 c1cc(c(cc1O)C=O)N MB29975 [0,2,0,0,0,0|0,0,2]=4 2064 B10R1.30 c1cc(c(cc1O)CN)Br MB08427 [0,2,0,0,0,0|1,0,0]=3 2065 B10R1.30 c1cc(c(cc1O)CN)Cl MB37155 [0,2,0,0,0,0|1,0,0]=3 2066 B10R1.30 c1cc(c(cc1O)CN)F MB12208 [0,2,0,0,0,0|1,0,0]=3 2067 B10R1.30 c1cc(c(cc1O)CN)I MB36844 [0,2,0,0,0,0|1,0,0]=3 2068 B10R1.30 c1cc(nc(c1Br)CN)Cl AB73060 [0,2,0,0,0,0|2,0,0]=4 2069 B10R1.30 c1cc(nc(c1Cl)CN)Cl AB68215 [0,2,0,0,0,0|2,0,0]=4 2070 B10R1.30 c1cc(nc(c1F)CCl)Cl AB71000 [0,2,0,0,0,0|2,0,0]=4 2071 B10R1.30 c1cc(nc(c1F)CN)Cl AB74839 [0,2,0,0,0,0|2,0,0]=4 2072 B10R1.113 B(c1cc(ccn1)C)(O)O AB13221 [0,2,0,0,0,0|2,0,0]=4 2073 B10R1.113 B(c1cc(ccn1)F)(O)O AB43303 [0,2,0,0,0,0|2,0,0]=4 2074 B10R1.113 B(c1cc(cnc1)Br)(O)O AB12651 [0,2,0,0,0,0|2,0,0]=4 2075 B10R1.113 B(c1cc(cnc1)Cl)(O)O AB29845 [0,2,0,0,0,0|2,0,0]=4 2076 B10R1.113 B(c1cc(cnc1)F)(O)O AB31983 [0,2,0,0,0,0|2,0,0]=4 2077 B10R1.113 B(c1cc(cnc1)N)(O)O AB40635 [0,2,0,0,0,0|2,0,0]=4 2078 B10R1.113 B(c1cc(cnc1)O)(O)O AB67806 [0,2,0,0,0,0|2,0,0]=4 2079 B10R1.113 B(c1cccc(c1)Br)(O)O AB05452 [0,2,0,0,0,0|1,0,0]=3 2080 B10R1.113 B(c1cccc(c1)C)(O)O AB01795 [0,2,0,0,0,0|1,0,0]=3 2081 B10R1.113 B(c1cccc(c1)Cl)(O)O AB04228 [0,2,0,0,0,0|1,0,0]=3 2082 B10R1.113 B(c1cccc(c1)F)(O)O AB05340 [0,2,0,0,0,0|1,0,0]=3 2083 B10R1.113 B(c1cccc(c1)I)(O)O AB08836 [0,2,0,0,0,0|1,0,0]=3 2084 B10R1.113 B(c1cccc(c1)N)(O)O AB00895 [0,2,0,0,0,0|1,0,0]=3 2085 B10R1.113 B(c1cccc(c1)N)(O)O AB01122 [0,2,0,0,0,0|1,0,0]=3 2086 B10R1.113 B(c1cccc(c1)O)(O)O AB08061 [0,2,0,0,0,0|1,0,0]=3 2087 B10R1.113 B(c1cccc(c1)S)(O)O AB13509 [0,2,0,0,0,0|1,0,0]=3 2088 B10R1.113 B(c1cccc(n1)Br)(O)O AB18040 [0,2,0,0,0,0|2,0,0]=4 2089 B10R1.113 B(c1cccc(n1)C)(O)O AB13224 [0,2,0,0,0,0|2,0,0]=4 2090 B10R1.113 B(c1cccc(n1)Cl)(O)O AB43435 [0,2,0,0,0,0|2,0,0]=4 2091 B10R1.113 B(c1cccc(n1)F)(O)O AB48607 [0,2,0,0,0,0|2,0,0]=4 2092 B10R1.113 B(c1cccc(n1)O)(O)O AB45591 [0,2,0,0,0,0|2,0,0]=4 2093 B10R1.113 B(c1ccnc(c1)Br)(O)O AB29847 [0,2,0,0,0,0|2,0,0]=4 2094 B10R1.113 B(c1ccnc(c1)C)(O)O AB13715 [0,2,0,0,0,0|2,0,0]=4 2095 B10R1.113 B(c1ccnc(c1)Cl)(O)O AB15988 [0,2,0,0,0,0|2,0,0]=4 2096 B10R1.113 B(c1ccnc(c1)F)(O)O AB17600 [0,2,0,0,0,0|2,0,0]=4 2097 B10R1.113 CC(C)c1cc(ccn1)O MB11626 [0,2,0,0,0,0|2,0,0]=4 2098 B10R1.113 CC(C)c1cc(cnc1)Br MB14162 [0,2,0,0,0,0|2,0,0]=4 2099 B10R1.113 CC(C)c1cc(cnc1)O MB22682 [0,2,0,0,0,0|2,0,0]=4 2100 B10R1.113 CC(C)c1cccc(n1)Br MB09496 [0,2,0,0,0,0|2,0,0]=4 2101 B10R1.113 CC(C)c1ccnc(c1)Cl MB13722 [0,2,0,0,0,0|2,0,0]=4 2102 B10R1.113 CC(c1cc(cnc1)Br)N AB41075 [0,2,0,0,0,0|2,0,0]=4 2103 B10R1.113 CC(c1cccc(n1)Br)N AB67302 [0,2,0,0,0,0|2,0,0]=4 2104 B10R1.113 CC(c1cccc(n1)Cl)N AB67350 [0,2,0,0,0,0|2,0,0]=4 2105 B10R1.113 CC(c1ccnc(c1)Cl)N AB67353 [0,2,0,0,0,0|2,0,0]=4 2106 B10R1.113 C[C@@H](c1cccc(c1)N)N AB29091 [0,2,0,0,0,0|1,0,0]=3 2107 B10R1.113 C[C@@H](c1ccnc(c1)Cl)N AB49742 [0,2,0,0,0,0|2,0,0]=4 2108 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [0,2,0,0,0,0|1,0,0]=3 2109 B10R1.113 C[C@H](c1ccnc(c1)Cl)N AB49740 [0,2,0,0,0,0|2,0,0]=4 2110 B10R1.113 Cc1cc(ccn1)C(=O)O AB06393 [0,2,0,0,0,0|1,0,1]=4 2111 B10R1.113 Cc1cc(ccn1)C(C)N AB66941 [0,2,0,0,0,0|2,0,0]=4 2112 B10R1.113 Cc1cc(cnc1)C(=O)O PB12710 [0,2,0,0,0,0|1,0,1]=4 2113 B10R1.113 Cc1cccc(c1)C(=N)N AB11452 [0,2,0,0,0,0|1,0,1]=4 2114 B10R1.113 Cc1cccc(c1)C(=S)N AB08506 [0,2,0,0,0,0|0,1,1]=4 2115 B10R1.113 Cc1cccc(n1)C(=O)O AB01368 [0,2,0,0,0,0|1,0,1]=4 2116 B10R1.113 Cc1cccc(n1)C(C)N AB25816 [0,2,0,0,0,0|2,0,0]=4 2117 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [0,2,0,0,0,0|1,0,1]=4 2118 B10R1.113 c1c(cncc1Br)C(F)F AB70752 [0,2,0,0,0,0|2,0,0]=4 2119 B10R1.113 c1c(cncc1Cl)C(=O)O PB25983 [0,2,0,0,0,0|1,0,1]=4 2120 B10R1.113 c1c(cncc1F)C(=O)O PB23226 [0,2,0,0,0,0|1,0,1]=4 2121 B10R1.113 c1c(cncc1N)C(=O)O PB13029 [0,2,0,0,0,0|1,0,1]=4 2122 B10R1.113 c1c(cncc1N)C(F)F AB75499 [0,2,0,0,0,0|2,0,0]=4 2123 B10R1.113 c1c(cncc1O)C(=O)O PB33816 [0,2,0,0,0,0|1,0,1]=4 2124 B10R1.113 c1c(cncc1O)C(F)F AB85525 [0,2,0,0,0,0|2,0,0]=4 2125 B10R1.113 c1cc(cc(c1)Br)C(=N)N AB18330 [0,2,0,0,0,0|1,0,1]=4 2126 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [0,2,0,0,0,0|0,0,2]=4 2127 B10R1.113 c1cc(cc(c1)Br)C(=S)N AB21268 [0,2,0,0,0,0|0,1,1]=4 2128 B10R1.113 c1cc(cc(c1)Cl)C(=S)N AB05898 [0,2,0,0,0,0|0,1,1]=4 2129 B10R1.113 c1cc(cc(c1)F)C(=N)N AB18313 [0,2,0,0,0,0|1,0,1]=4 2130 B10R1.113 c1cc(cc(c1)F)C(=S)N AB21276 [0,2,0,0,0,0|0,1,1]=4 2131 B10R1.113 c1cc(cc(c1)N)C(=N)N AB01115 [0,2,0,0,0,0|1,0,1]=4 2132 B10R1.113 c1cc(cc(c1)N)C(=S)N AB21283 [0,2,0,0,0,0|0,1,1]=4 2133 B10R1.113 c1cc(cc(c1)O)C(=N)N AB55570 [0,2,0,0,0,0|1,0,1]=4 2134 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [0,2,0,0,0,0|0,0,2]=4 2135 B10R1.113 c1cc(nc(c1)Br)C(=O)O AB03328 [0,2,0,0,0,0|1,0,1]=4 2136 B10R1.113 c1cc(nc(c1)Br)C(F)F AB70747 [0,2,0,0,0,0|2,0,0]=4 2137 B10R1.113 c1cc(nc(c1)Cl)C(=O)O AB04138 [0,2,0,0,0,0|1,0,1]=4 2138 B10R1.113 c1cc(nc(c1)F)C(=O)O AB11487 [0,2,0,0,0,0|1,0,1]=4 2139 B10R1.113 c1cc(nc(c1)I)C(=O)O AB42497 [0,2,0,0,0,0|1,0,1]=4 2140 B10R1.113 c1cc(nc(c1)N)C(=O)O PB23179 [0,2,0,0,0,0|1,0,1]=4 2141 B10R1.113 c1cnc(cc1Br)C(=O)O PB21234 [0,2,0,0,0,0|1,0,1]=4 2142 B10R1.113 c1cnc(cc1Br)C(F)F AB74876 [0,2,0,0,0,0|2,0,0]=4 2143 B10R1.113 c1cnc(cc1C(=O)O)Br AB09563 [0,2,0,0,0,0|1,0,1]=4 2144 B10R1.113 c1cnc(cc1C(=O)O)Cl PB12125 [0,2,0,0,0,0|1,0,1]=4 2145 B10R1.113 c1cnc(cc1C(=O)O)F AB11490 [0,2,0,0,0,0|1,0,1]=4 2146 B10R1.113 c1cnc(cc1C(=O)O)I AB29977 [0,2,0,0,0,0|1,0,1]=4 2147 B10R1.113 c1cnc(cc1C(=O)O)N PB19872 [0,2,0,0,0,0|1,0,1]=4 2148 B10R1.113 c1cnc(cc1C(=O)O)O PB29144 [0,2,0,0,0,0|1,0,1]=4 2149 B10R1.113 c1cnc(cc1Cl)C(=O)O AB04585 [0,2,0,0,0,0|1,0,1]=4 2150 B10R1.113 c1cnc(cc1F)C(=O)O AB40659 [0,2,0,0,0,0|1,0,1]=4 2151 B10R1.113 c1cnc(cc1I)C(=O)O AB28008 [0,2,0,0,0,0|1,0,1]=4 2152 B10R1.113 c1cnc(cc1I)C(=O)O PB20818 [0,2,0,0,0,0|1,0,1]=4 2153 B10R1.113 c1cnc(cc1N)C(=O)O PB23313 [0,2,0,0,0,0|1,0,1]=4 2154 B10R1.113 c1cnc(cc1O)C(=O)O AB06407 [0,2,0,0,0,0|1,0,1]=4 2155 B10R1.172 C#Cc1cccc(c1)C#N AB45854 [0,2,0,0,0,0|1,0,1]=4 2156 B10R1.172 C#Cc1cccc(c1)C=O AB23573 [0,2,0,0,0,0|0,0,2]=4 2157 B10R1.172 C#Cc1cccc(c1)CN AB61367 [0,2,0,0,0,0|1,0,0]=3 2158 B10R1.172 CCc1cccc(c1)NN AB27881 [0,2,0,0,0,0|1,0,0]=3 2159 B10R1.172 COc1cc(ccn1)CCl AB59894 [0,2,0,0,0,0|2,0,0]=4 2160 B10R1.172 COc1cc(ccn1)CN PB12590 [0,2,0,0,0,0|2,0,0]=4 2161 B10R1.172 COc1cc(ccn1)CO PB12206 [0,2,0,0,0,0|1,0,0]=3 2162 B10R1.172 COc1cc(cnc1)CCl AB67553 [0,2,0,0,0,0|2,0,0]=4 2163 B10R1.172 COc1cc(cnc1)CN PB36726 [0,2,0,0,0,0|2,0,0]=4 2164 B10R1.172 COc1cc(cnc1)CO PB11991 [0,2,0,0,0,0|1,0,0]=3 2165 B10R1.172 COc1cccc(c1)C#C AB04227 [0,2,0,0,0,0|1,0,1]=4 2166 B10R1.172 COc1cccc(c1)C#N AB00159 [0,2,0,0,0,0|1,0,1]=4 2167 B10R1.172 COc1cccc(c1)C=O AB00318 [0,2,0,0,0,0|0,0,2]=4 2168 B10R1.172 COc1cccc(n1)CCl AB59984 [0,2,0,0,0,0|2,0,0]=4 2169 B10R1.172 COc1cccc(n1)CN AB64449 [0,2,0,0,0,0|2,0,0]=4 2170 B10R1.172 COc1cccc(n1)CO AB43774 [0,2,0,0,0,0|1,0,0]=3 2171 B10R1.172 COc1ccnc(c1)CCl AB42302 [0,2,0,0,0,0|2,0,0]=4 2172 B10R1.172 COc1ccnc(c1)CCl MB05825 [0,2,0,0,0,0|2,0,0]=4 2173 B10R1.172 COc1ccnc(c1)CN AB63680 [0,2,0,0,0,0|2,0,0]=4 2174 B10R1.172 COc1ccnc(c1)CO AB42298 [0,2,0,0,0,0|1,0,0]=3 2175 B10R1.172 COc1nccc(n1)CO PB24420 [0,2,0,0,0,0|2,0,0]=4 2176 B10R1.172 c1c(cncc1C#N)CCl AB60036 [0,2,0,0,0,0|2,0,0]=4 2177 B10R1.172 c1c(cncc1C#N)CN AB67696 [0,2,0,0,0,0|2,0,0]=4 2178 B10R1.172 c1c(cncc1C#N)CO AB31356 [0,2,0,0,0,0|1,0,0]=3 2179 B10R1.172 c1c(cncc1C=O)CCl AB69676 [0,2,0,0,0,0|2,0,0]=4 2180 B10R1.172 c1c(cncc1C=O)CN AB31382 [0,2,0,0,0,0|2,0,0]=4 2181 B10R1.172 c1cc(cc(c1)C#N)CO CB10501 [0,2,0,0,0,0|0,0,0]=2 2182 B10R1.172 c1cc(nc(c1)C#N)CBr MB08544 [0,2,0,0,0,0|2,0,0]=4 2183 B10R1.172 c1cc(nc(c1)C#N)CCl AB55701 [0,2,0,0,0,0|2,0,0]=4 2184 B10R1.172 c1cc(nc(c1)C#N)CN AB29677 [0,2,0,0,0,0|2,0,0]=4 2185 B10R1.172 c1cc(nc(c1)C#N)CO AB31421 [0,2,0,0,0,0|1,0,0]=3 2186 B10R1.172 c1cc(nc(c1)C=O)CCl AB54693 [0,2,0,0,0,0|2,0,0]=4 2187 B10R1.172 c1cc(nc(c1)CO)CN AB31423 [0,2,0,0,0,0|1,0,0]=3 2188 B10R1.172 c1cnc(cc1C#N)CCl AB60015 [0,2,0,0,0,0|2,0,0]=4 2189 B10R1.172 c1cnc(cc1C#N)CN AB68130 [0,2,0,0,0,0|2,0,0]=4 2190 B10R1.172 c1cnc(cc1C=O)CN AB31349 [0,2,0,0,0,0|2,0,0]=4 2191 B10R1.172 c1cnc(cc1CBr)C#N AB56103 [0,2,0,0,0,0|2,0,0]=4 2192 B10R1.172 c1cnc(cc1CCl)C#N AB59898 [0,2,0,0,0,0|2,0,0]=4 2193 B10R1.172 c1cnc(cc1CN)C#N AB62810 [0,2,0,0,0,0|2,0,0]=4 2194 B10R1.172 c1cnc(cc1CO)C#N AB31352 [0,2,0,0,0,0|1,0,0]=3 2195 B10R1.172 c1cnc(nc1C=O)CO AB58724 [0,2,0,0,0,0|2,0,0]=4 2196 B10R1.15 CC(c1cccnc1)NC CB11165 [0,2,0,0,0,0|2,0,0]=4 2197 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,2,0,0,0,0|2,0,0]=4 2198 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [0,2,0,0,0,0|1,0,0]=3 2199 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [0,2,0,0,0,0|1,0,0]=3 2200 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [0,2,0,0,0,0|2,0,0]=4 2201 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [0,2,0,0,0,0|2,0,0]=4 2202 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [0,2,0,0,0,0|2,0,0]=4 2203 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [0,2,0,0,0,0|1,0,0]=3 2204 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [0,2,0,0,0,0|1,0,0]=3 2205 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [0,2,0,0,0,0|1,0,0]=3 2206 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [0,2,0,0,0,0|0,0,2]=4 2207 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [0,2,0,0,0,0|0,0,2]=4 2208 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [0,2,0,0,0,0|0,0,2]=4 2209 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [0,2,0,0,0,0|2,0,0]=4 2210 B10R1.15 c1cnccc1C(=O)CBr AB12154 [0,2,0,0,0,0|2,0,0]=4 2211 B10R1.28 CC(C)(C)c1ccccn1 CB10120 [0,2,0,0,0,0|2,0,0]=4 2212 B10R1.28 CC(C)(c1ccccn1)N AB48746 [0,2,0,0,0,0|2,0,0]=4 2213 B10R1.28 CC(C)(c1cccnc1)N AB48740 [0,2,0,0,0,0|2,0,0]=4 2214 B10R1.28 CC(C)(c1ccncc1)N AB48742 [0,2,0,0,0,0|2,0,0]=4 2215 B10R1.28 [B-](c1ccccc1)(F)(F)F AB08670 [0,2,0,0,0,0|2,0,0]=4 2216 B10R1.28 c1ccnc(c1)C(F)(F)F MB02365 [0,2,0,0,0,0|2,0,0]=4 2217 B10R1.61 B(c1c(cccn1)C)(O)O AB06942 [0,2,0,0,0,0|2,0,0]=4 2218 B10R1.61 B(c1c(cccn1)O)(O)O AB48454 [0,2,0,0,0,0|2,0,0]=4 2219 B10R1.61 B(c1ccccc1Br)(O)O AB08325 [0,2,0,0,0,0|1,0,0]=3 2220 B10R1.61 B(c1ccccc1C)(O)O AB03348 [0,2,0,0,0,0|1,0,0]=3 2221 B10R1.61 B(c1ccccc1Cl)(O)O AB06914 [0,2,0,0,0,0|1,0,0]=3 2222 B10R1.61 B(c1ccccc1F)(O)O AB06918 [0,2,0,0,0,0|1,0,0]=3 2223 B10R1.61 B(c1ccccc1N)(O)O AB08088 [0,2,0,0,0,0|1,0,0]=3 2224 B10R1.61 B(c1ccccc1O)(O)O AB08053 [0,2,0,0,0,0|1,0,0]=3 2225 B10R1.61 B(c1cccnc1Br)(O)O AB17846 [0,2,0,0,0,0|2,0,0]=4 2226 B10R1.61 B(c1cccnc1C)(O)O AB25945 [0,2,0,0,0,0|2,0,0]=4 2227 B10R1.61 B(c1cccnc1Cl)(O)O PB10233 [0,2,0,0,0,0|2,0,0]=4 2228 B10R1.61 B(c1cccnc1F)(O)O AB14130 [0,2,0,0,0,0|2,0,0]=4 2229 B10R1.61 B(c1cccnc1F)(O)O AB17194 [0,2,0,0,0,0|2,0,0]=4 2230 B10R1.61 B(c1cccnc1O)(O)O AB59785 [0,2,0,0,0,0|2,0,0]=4 2231 B10R1.61 B(c1ccncc1Br)(O)O AB30060 [0,2,0,0,0,0|2,0,0]=4 2232 B10R1.61 B(c1ccncc1C)(O)O PB33663 [0,2,0,0,0,0|2,0,0]=4 2233 B10R1.61 B(c1ccncc1Cl)(O)O AB14722 [0,2,0,0,0,0|2,0,0]=4 2234 B10R1.61 B(c1ccncc1F)(O)O AB15803 [0,2,0,0,0,0|2,0,0]=4 2235 B10R1.61 B(c1ccncc1F)(O)O AB16034 [0,2,0,0,0,0|2,0,0]=4 2236 B10R1.61 B(c1ccncc1N)(O)O AB67765 [0,2,0,0,0,0|2,0,0]=4 2237 B10R1.61 B(c1ccncc1O)(O)O AB67807 [0,2,0,0,0,0|2,0,0]=4 2238 B10R1.61 B(c1cnccc1C)(O)O AB15952 [0,2,0,0,0,0|2,0,0]=4 2239 B10R1.61 B(c1cnccc1Cl)(O)O AB30062 [0,2,0,0,0,0|2,0,0]=4 2240 B10R1.61 B(c1cnccc1F)(O)O AB32070 [0,2,0,0,0,0|2,0,0]=4 2241 B10R1.61 B(c1cnccc1O)(O)O AB59789 [0,2,0,0,0,0|2,0,0]=4 2242 B10R1.61 CC(C)c1c(cccn1)O MB22687 [0,2,0,0,0,0|2,0,0]=4 2243 B10R1.61 CC(C)c1ccncc1O MB22678 [0,2,0,0,0,0|2,0,0]=4 2244 B10R1.61 CC(C)c1cnccc1O MB22684 [0,2,0,0,0,0|2,0,0]=4 2245 B10R1.61 CC(c1cccnc1Br)N AB41828 [0,2,0,0,0,0|2,0,0]=4 2246 B10R1.61 CC(c1cccnc1Cl)N AB67346 [0,2,0,0,0,0|2,0,0]=4 2247 B10R1.61 CC(c1cnccc1Cl)N AB68000 [0,2,0,0,0,0|2,0,0]=4 2248 B10R1.61 CN(C)c1ccccc1O MB08302 [0,2,0,0,0,0|2,0,0]=4 2249 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [0,2,0,0,0,0|1,0,1]=4 2250 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [0,2,0,0,0,0|2,0,0]=4 2251 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [0,2,0,0,0,0|2,0,0]=4 2252 B10R1.61 Cc1ccccc1C(=N)N AB18273 [0,2,0,0,0,0|1,0,1]=4 2253 B10R1.61 Cc1ccccc1C(=S)N AB16881 [0,2,0,0,0,0|0,1,1]=4 2254 B10R1.61 Cc1cccnc1C(=O)O PB10121 [0,2,0,0,0,0|1,0,1]=4 2255 B10R1.61 Cc1ccncc1C(=O)O PB17119 [0,2,0,0,0,0|1,0,1]=4 2256 B10R1.61 Cc1ccncc1C(C)N AB67850 [0,2,0,0,0,0|2,0,0]=4 2257 B10R1.61 Cc1cnccc1C(=O)O PB12103 [0,2,0,0,0,0|1,0,1]=4 2258 B10R1.61 c1cc(c(nc1)Br)C(=O)O AB09561 [0,2,0,0,0,0|1,0,1]=4 2259 B10R1.61 c1cc(c(nc1)C(=O)O)Cl PB30690 [0,2,0,0,0,0|1,0,1]=4 2260 B10R1.61 c1cc(c(nc1)C(=O)O)F PB12310 [0,2,0,0,0,0|1,0,1]=4 2261 B10R1.61 c1cc(c(nc1)C(=O)O)I AB10544 [0,2,0,0,0,0|1,0,1]=4 2262 B10R1.61 c1cc(c(nc1)C(=O)O)N PB32134 [0,2,0,0,0,0|1,0,1]=4 2263 B10R1.61 c1cc(c(nc1)Cl)C(=O)O AB00651 [0,2,0,0,0,0|1,0,1]=4 2264 B10R1.61 c1cc(c(nc1)F)C(=O)O AB01814 [0,2,0,0,0,0|1,0,1]=4 2265 B10R1.61 c1cc(c(nc1)N)C(=O)O PB30535 [0,2,0,0,0,0|1,0,1]=4 2266 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [0,2,0,0,0,0|1,0,1]=4 2267 B10R1.61 c1ccc(c(c1)C(=N)N)Br AB18326 [0,2,0,0,0,0|1,0,1]=4 2268 B10R1.61 c1ccc(c(c1)C(=N)N)Cl AB05888 [0,2,0,0,0,0|1,0,1]=4 2269 B10R1.61 c1ccc(c(c1)C(=N)N)F AB18318 [0,2,0,0,0,0|1,0,1]=4 2270 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [0,2,0,0,0,0|1,0,1]=4 2271 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [0,2,0,0,0,0|0,0,1]=3 2272 B10R1.61 c1ccc(c(c1)C(=S)N)Br AB21272 [0,2,0,0,0,0|0,1,1]=4 2273 B10R1.61 c1ccc(c(c1)C(=S)N)Cl AB01839 [0,2,0,0,0,0|0,1,1]=4 2274 B10R1.61 c1ccc(c(c1)C(=S)N)N AB07816 [0,2,0,0,0,0|0,1,1]=4 2275 B10R1.61 c1cncc(c1Br)C(=O)O AB18009 [0,2,0,0,0,0|1,0,1]=4 2276 B10R1.61 c1cncc(c1C(=O)O)Br PB10062 [0,2,0,0,0,0|1,0,1]=4 2277 B10R1.61 c1cncc(c1C(=O)O)Cl AB13346 [0,2,0,0,0,0|1,0,1]=4 2278 B10R1.61 c1cncc(c1C(=O)O)I AB09565 [0,2,0,0,0,0|1,0,1]=4 2279 B10R1.61 c1cncc(c1C(=O)O)N PB17122 [0,2,0,0,0,0|1,0,1]=4 2280 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [0,2,0,0,0,0|1,0,1]=4 2281 B10R1.61 c1cncc(c1Cl)C(=O)O AB03598 [0,2,0,0,0,0|1,0,1]=4 2282 B10R1.61 c1cncc(c1F)C(=O)O AB18036 [0,2,0,0,0,0|1,0,1]=4 2283 B10R1.61 c1cncc(c1I)C(=O)O AB15003 [0,2,0,0,0,0|1,0,1]=4 2284 B10R1.61 c1cncc(c1N)C(=O)O PB26016 [0,2,0,0,0,0|1,0,1]=4 2285 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [0,2,0,0,0,0|1,0,1]=4 2286 B10R1.4 CCOc1c(cccn1)Br AB05207 [0,2,0,0,0,0|2,0,0]=4 2287 B10R1.4 CCOc1c(cccn1)I AB05213 [0,2,0,0,0,0|2,0,0]=4 2288 B10R1.4 CCOc1ccncc1Br MB01009 [0,2,0,0,0,0|2,0,0]=4 2289 B10R1.4 CNCc1c(cccn1)F PB12566 [0,2,0,0,0,0|2,0,0]=4 2290 B10R1.4 CNCc1cccnc1Cl AB53845 [0,2,0,0,0,0|2,0,0]=4 2291 B10R1.4 CNCc1cnccc1Br AB67968 [0,2,0,0,0,0|2,0,0]=4 2292 B10R1.4 CNCc1cnccc1Cl AB67984 [0,2,0,0,0,0|2,0,0]=4 2293 B10R1.4 CNCc1cnccc1F AB68060 [0,2,0,0,0,0|2,0,0]=4 2294 B10R1.4 Cc1c(cccn1)CCN AB66943 [0,2,0,0,0,0|2,0,0]=4 2295 B10R1.4 Cc1c(cccn1)CNC AB66889 [0,2,0,0,0,0|2,0,0]=4 2296 B10R1.4 Cc1ccccc1CC=O AB11813 [0,2,0,0,0,0|0,0,1]=3 2297 B10R1.4 Cc1cccnc1CCN AB31462 [0,2,0,0,0,0|2,0,0]=4 2298 B10R1.4 Cc1ccncc1CCN AB55157 [0,2,0,0,0,0|2,0,0]=4 2299 B10R1.4 Cc1ccncc1CNC AB67828 [0,2,0,0,0,0|2,0,0]=4 2300 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [0,2,0,0,0,0|2,0,0]=4 2301 B10R1.4 c1cc(c(nc1)Br)\C=N\O AB70377 [0,2,0,0,0,0|1,0,1]=4 2302 B10R1.4 c1cc(c(nc1)CC#N)Br PB13243 [0,2,0,0,0,0|2,0,0]=4 2303 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [0,2,0,0,0,0|2,0,0]=4 2304 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [0,2,0,0,0,0|2,0,0]=4 2305 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [0,2,0,0,0,0|1,0,0]=3 2306 B10R1.4 c1cc(c(nc1)Cl)CC#N PB13101 [0,2,0,0,0,0|2,0,0]=4 2307 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [0,2,0,0,0,0|2,0,0]=4 2308 B10R1.4 c1cc(c(nc1)N)\C=N\O AB25853 [0,2,0,0,0,0|1,0,1]=4 2309 B10R1.4 c1ccc(c(c1)CC#N)Br AB00169 [0,2,0,0,0,0|1,0,0]=3 2310 B10R1.4 c1ccc(c(c1)CC#N)F AB00172 [0,2,0,0,0,0|1,0,0]=3 2311 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [0,2,0,0,0,0|1,0,0]=3 2312 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [0,2,0,0,0,0|1,0,0]=3 2313 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [0,2,0,0,0,0|1,0,0]=3 2314 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [0,2,0,0,0,0|1,0,0]=3 2315 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [0,2,0,0,0,0|1,0,0]=3 2316 B10R1.4 c1ccc(c(c1)\C=N\O)Cl AB01188 [0,2,0,0,0,0|0,0,1]=3 2317 B10R1.4 c1cncc(c1Br)CC#N AB74620 [0,2,0,0,0,0|2,0,0]=4 2318 B10R1.4 c1cncc(c1Br)CCN AB45481 [0,2,0,0,0,0|2,0,0]=4 2319 B10R1.4 c1cncc(c1Cl)CCN AB68002 [0,2,0,0,0,0|2,0,0]=4 2320 B10R1.4 c1cncc(c1F)CCN AB55177 [0,2,0,0,0,0|2,0,0]=4 2321 B10R1.17 C#CCOc1cccnc1 AB61421 [0,2,0,0,0,0|2,0,0]=4 2322 B10R1.17 C#CCOc1ccncc1 AB61423 [0,2,0,0,0,0|2,0,0]=4 2323 B10R1.17 CNCCc1cccnc1 AB10676 [0,2,0,0,0,0|2,0,0]=4 2324 B10R1.17 CNCCc1ccncc1 AB02055 [0,2,0,0,0,0|2,0,0]=4 2325 B10R1.17 c1cc(cnc1)CCC=O AB57626 [0,2,0,0,0,0|1,0,1]=4 2326 B10R1.17 c1cc(cnc1)CCCN AB54556 [0,2,0,0,0,0|2,0,0]=4 2327 B10R1.17 c1ccc(cc1)CCC=O AB00823 [0,2,0,0,0,0|0,0,1]=3 2328 B10R1.17 c1ccc(cc1)CCCN AB00940 [0,2,0,0,0,0|1,0,0]=3 2329 B10R1.17 c1ccnc(c1)CCC=O AB57635 [0,2,0,0,0,0|1,0,1]=4 2330 B10R1.17 c1ccnc(c1)CCCN AB30458 [0,2,0,0,0,0|2,0,0]=4 2331 B10R1.17 c1ccnc(c1)CCCO PB12987 [0,2,0,0,0,0|1,0,0]=3 2332 B10R1.17 c1ccnc(c1)OCCN AB03271 [0,2,0,0,0,0|2,0,0]=4 2333 B10R1.17 c1cnccc1CCC=O AB49299 [0,2,0,0,0,0|1,0,1]=4 2334 B10R1.17 c1cnccc1CCCN AB43583 [0,2,0,0,0,0|2,0,0]=4 2335 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [0,2,0,0,0,0|0,0,0]=2 2336 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [0,2,0,0,0,0|1,0,1]=4 2337 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [0,2,0,0,0,0|1,0,1]=4 2338 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [0,2,0,0,0,0|1,0,1]=4 2339 B10R1.18 CC(C)Oc1ccccn1 AB63711 [0,2,0,0,0,0|2,0,0]=4 2340 B10R1.18 CC(Cc1ccccn1)N AB12969 [0,2,0,0,0,0|2,0,0]=4 2341 B10R1.18 CC(Cc1cccnc1)N AB23775 [0,2,0,0,0,0|2,0,0]=4 2342 B10R1.18 CC(Cc1ccncc1)N AB28531 [0,2,0,0,0,0|2,0,0]=4 2343 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [0,2,0,0,0,0|1,0,0]=3 2344 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [0,2,0,0,0,0|1,0,0]=3 2345 B10R1.18 c1c(cncn1)CC(=O)O PB12648 [0,2,0,0,0,0|2,0,0]=4 2346 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [0,2,0,0,0,0|1,0,0]=3 2347 B10R1.18 c1cc(nnc1)CC(=O)O PB14847 [0,2,0,0,0,0|2,0,0]=4 2348 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [0,2,0,0,0,0|1,0,0]=3 2349 B10R1.18 c1cnc(cn1)CC(=O)O PB10382 [0,2,0,0,0,0|2,0,0]=4 2350 B10R1.18 c1cnc(nc1)CC(=O)O PB34087 [0,2,0,0,0,0|2,0,0]=4 2351 B10R1.18 c1cncnc1CC(=O)O PB21983 [0,2,0,0,0,0|2,0,0]=4 2352 B10R1.18 c1cnncc1CC(=O)O PB31426 [0,2,0,0,0,0|2,0,0]=4 2353 B10R1.20 C#Cc1ccccc1C=O AB17472 [0,2,0,0,0,0|0,0,2]=4 2354 B10R1.20 COc1c(cccn1)CCl AB54482 [0,2,0,0,0,0|2,0,0]=4 2355 B10R1.20 COc1c(cccn1)CN PB10680 [0,2,0,0,0,0|2,0,0]=4 2356 B10R1.20 COc1c(cccn1)CN PB15194 [0,2,0,0,0,0|2,0,0]=4 2357 B10R1.20 COc1c(cccn1)CO PB20446 [0,2,0,0,0,0|1,0,0]=3 2358 B10R1.20 COc1ccccc1C#N AB00156 [0,2,0,0,0,0|1,0,1]=4 2359 B10R1.20 COc1ccccc1C=O AB00311 [0,2,0,0,0,0|0,0,2]=4 2360 B10R1.20 COc1cccnc1CCl AB60052 [0,2,0,0,0,0|2,0,0]=4 2361 B10R1.20 COc1cccnc1CN AB40619 [0,2,0,0,0,0|2,0,0]=4 2362 B10R1.20 COc1cccnc1CO MB05449 [0,2,0,0,0,0|1,0,0]=3 2363 B10R1.20 COc1ccncc1CCl AB68800 [0,2,0,0,0,0|2,0,0]=4 2364 B10R1.20 COc1ccncc1CN AB67859 [0,2,0,0,0,0|2,0,0]=4 2365 B10R1.20 COc1cnccc1CCl AB67554 [0,2,0,0,0,0|2,0,0]=4 2366 B10R1.20 COc1cnccc1CN AB63142 [0,2,0,0,0,0|2,0,0]=4 2367 B10R1.20 CSc1c(cccn1)CO MB07043 [0,2,0,0,0,0|1,0,0]=3 2368 B10R1.20 c1cc(c(nc1)C#N)CBr MB06806 [0,2,0,0,0,0|2,0,0]=4 2369 B10R1.20 c1cc(c(nc1)C#N)CCl AB60071 [0,2,0,0,0,0|2,0,0]=4 2370 B10R1.20 c1cc(c(nc1)C#N)CN AB67388 [0,2,0,0,0,0|2,0,0]=4 2371 B10R1.20 c1cc(c(nc1)C#N)CO AB31401 [0,2,0,0,0,0|1,0,0]=3 2372 B10R1.20 c1cc(c(nc1)CCl)C#N AB60058 [0,2,0,0,0,0|2,0,0]=4 2373 B10R1.20 c1cc(c(nc1)CCl)C=O AB69680 [0,2,0,0,0,0|2,0,0]=4 2374 B10R1.20 c1cc(c(nc1)CCl)CCl AB60050 [0,2,0,0,0,0|2,0,0]=4 2375 B10R1.20 c1cc(c(nc1)CN)C#N AB67702 [0,2,0,0,0,0|2,0,0]=4 2376 B10R1.20 c1cc(c(nc1)CN)C=O AB31410 [0,2,0,0,0,0|2,0,0]=4 2377 B10R1.20 c1cc(c(nc1)CN)CO AB31405 [0,2,0,0,0,0|1,0,0]=3 2378 B10R1.20 c1cc(c(nc1)CO)CO AB10176 [0,2,0,0,0,0|1,0,0]=3 2379 B10R1.20 c1cncc(c1C#N)CCl AB60090 [0,2,0,0,0,0|2,0,0]=4 2380 B10R1.20 c1cncc(c1C#N)CN AB68131 [0,2,0,0,0,0|2,0,0]=4 2381 B10R1.20 c1cncc(c1CCl)C#N AB67717 [0,2,0,0,0,0|2,0,0]=4 2382 B10R1.20 c1cncc(c1CCl)C=O AB69679 [0,2,0,0,0,0|2,0,0]=4 2383 B10R1.20 c1cncc(c1CCl)CCl AB60081 [0,2,0,0,0,0|2,0,0]=4 2384 B10R1.20 c1cncc(c1CN)C#N AB67699 [0,2,0,0,0,0|2,0,0]=4 2385 B10R1.245 CCc1c(cccc1Br)O MB23614 [0,2,0,0,0,0|1,0,0]=3 2386 B10R1.245 CCc1c(cccc1Cl)O MB23615 [0,2,0,0,0,0|1,0,0]=3 2387 B10R1.245 CCc1c(cccc1F)O MB23585 [0,2,0,0,0,0|1,0,0]=3 2388 B10R1.245 CCc1c(cccc1I)O MB23587 [0,2,0,0,0,0|1,0,0]=3 2389 B10R1.245 CCc1c(cccc1O)C MB23554 [0,2,0,0,0,0|1,0,0]=3 2390 B10R1.245 CCc1c(cccc1O)N MB23558 [0,2,0,0,0,0|1,0,0]=3 2391 B10R1.245 CNc1c(cccc1Br)O MB31500 [0,2,0,0,0,0|2,0,0]=4 2392 B10R1.245 CNc1c(cccc1Cl)O MB33359 [0,2,0,0,0,0|2,0,0]=4 2393 B10R1.245 CNc1c(cccc1F)O MB29137 [0,2,0,0,0,0|2,0,0]=4 2394 B10R1.245 CNc1c(cccc1I)O MB30346 [0,2,0,0,0,0|2,0,0]=4 2395 B10R1.245 CNc1c(cccc1O)N MB01610 [0,2,0,0,0,0|2,0,0]=4 2396 B10R1.245 COc1c(cccc1Br)F AB21504 [0,2,0,0,0,0|2,0,0]=4 2397 B10R1.245 COc1c(cccc1Br)O MB09199 [0,2,0,0,0,0|2,0,0]=4 2398 B10R1.245 COc1c(cccc1Cl)O MB34190 [0,2,0,0,0,0|2,0,0]=4 2399 B10R1.245 COc1c(cccc1F)N MB00204 [0,2,0,0,0,0|2,0,0]=4 2400 B10R1.245 COc1c(cccc1I)O MB33689 [0,2,0,0,0,0|2,0,0]=4 2401 B10R1.245 COc1c(cccc1O)N MB14425 [0,2,0,0,0,0|2,0,0]=4 2402 B10R1.245 CSc1c(cccc1Br)O MB32344 [0,2,0,0,0,0|2,0,0]=4 2403 B10R1.245 CSc1c(cccc1Cl)O MB25403 [0,2,0,0,0,0|2,0,0]=4 2404 B10R1.245 CSc1c(cccc1I)O MB36697 [0,2,0,0,0,0|2,0,0]=4 2405 B10R1.245 CSc1c(cccc1O)N MB26572 [0,2,0,0,0,0|2,0,0]=4 2406 B10R1.245 Cc1c(c(ccn1)Cl)CCl AB83333 [0,2,0,0,0,0|2,0,0]=4 2407 B10R1.245 Cc1c(c(ccn1)Cl)CN AB83336 [0,2,0,0,0,0|2,0,0]=4 2408 B10R1.245 Cc1c(c(ccn1)F)CCl AB83019 [0,2,0,0,0,0|2,0,0]=4 2409 B10R1.245 Cc1c(c(ccn1)F)CN AB83020 [0,2,0,0,0,0|2,0,0]=4 2410 B10R1.245 Cc1cccc(c1C#N)O MB02406 [0,2,0,0,0,0|1,0,1]=4 2411 B10R1.245 Cc1cccc(c1C=O)O MB14829 [0,2,0,0,0,0|0,0,2]=4 2412 B10R1.245 Cc1cccc(c1CCl)C AB08451 [0,2,0,0,0,0|1,0,0]=3 2413 B10R1.245 Cc1cccc(c1CN)O MB25667 [0,2,0,0,0,0|1,0,0]=3 2414 B10R1.245 Cc1cccc(c1CO)C AB03562 [0,2,0,0,0,0|0,0,0]=2 2415 B10R1.245 Cc1cccc(c1OC)O MB33579 [0,2,0,0,0,0|2,0,0]=4 2416 B10R1.245 Cc1cccc(c1SC)O MB08534 [0,2,0,0,0,0|2,0,0]=4 2417 B10R1.245 Cc1ccnc(c1CCl)C AB75399 [0,2,0,0,0,0|2,0,0]=4 2418 B10R1.245 Cc1ccnc(c1CCl)Cl AB71112 [0,2,0,0,0,0|2,0,0]=4 2419 B10R1.245 Cc1ccnc(c1CCl)F AB71236 [0,2,0,0,0,0|2,0,0]=4 2420 B10R1.245 Cc1ccnc(c1CN)C AB75357 [0,2,0,0,0,0|2,0,0]=4 2421 B10R1.245 Cc1ccnc(c1CN)Cl AB74563 [0,2,0,0,0,0|2,0,0]=4 2422 B10R1.245 Cc1ccnc(c1CN)F AB83056 [0,2,0,0,0,0|2,0,0]=4 2423 B10R1.245 Cc1cncc(c1CCl)C AB75400 [0,2,0,0,0,0|2,0,0]=4 2424 B10R1.245 Cc1cncc(c1CCl)Cl AB83249 [0,2,0,0,0,0|2,0,0]=4 2425 B10R1.245 Cc1cncc(c1CCl)F AB82911 [0,2,0,0,0,0|2,0,0]=4 2426 B10R1.245 Cc1cncc(c1CN)C AB65429 [0,2,0,0,0,0|2,0,0]=4 2427 B10R1.245 Cc1cncc(c1CN)Cl AB83251 [0,2,0,0,0,0|2,0,0]=4 2428 B10R1.245 Cc1cncc(c1CN)F AB82914 [0,2,0,0,0,0|2,0,0]=4 2429 B10R1.245 c1c(c(c(cn1)Cl)CCl)F AB70995 [0,2,0,0,0,0|2,0,0]=4 2430 B10R1.245 c1c(c(c(cn1)Cl)CN)F AB75075 [0,2,0,0,0,0|2,0,0]=4 2431 B10R1.245 c1cc(c(c(c1)Br)C#N)Cl MB03774 [0,2,0,0,0,0|1,0,1]=4 2432 B10R1.245 c1cc(c(c(c1)Br)C#N)O MB12048 [0,2,0,0,0,0|1,0,1]=4 2433 B10R1.245 c1cc(c(c(c1)Br)C=O)Br CB11474 [0,2,0,0,0,0|0,0,2]=4 2434 B10R1.245 c1cc(c(c(c1)Br)C=O)Cl MB01095 [0,2,0,0,0,0|0,0,2]=4 2435 B10R1.245 c1cc(c(c(c1)Br)C=O)F AB14028 [0,2,0,0,0,0|0,0,2]=4 2436 B10R1.245 c1cc(c(c(c1)Br)C=O)N PB34549 [0,2,0,0,0,0|0,0,2]=4 2437 B10R1.245 c1cc(c(c(c1)Br)C=O)O AB43626 [0,2,0,0,0,0|0,0,2]=4 2438 B10R1.245 c1cc(c(c(c1)Br)CN)O MB12052 [0,2,0,0,0,0|1,0,0]=3 2439 B10R1.245 c1cc(c(c(c1)Br)CO)F AB50340 [0,2,0,0,0,0|0,0,0]=2 2440 B10R1.245 c1cc(c(c(c1)Cl)C#N)O PB19932 [0,2,0,0,0,0|1,0,1]=4 2441 B10R1.245 c1cc(c(c(c1)Cl)C=O)N AB58431 [0,2,0,0,0,0|0,0,2]=4 2442 B10R1.245 c1cc(c(c(c1)Cl)C=O)O MB01945 [0,2,0,0,0,0|0,0,2]=4 2443 B10R1.245 c1cc(c(c(c1)Cl)CN)O MB15041 [0,2,0,0,0,0|1,0,0]=3 2444 B10R1.245 c1cc(c(c(c1)F)C=O)O MB01694 [0,2,0,0,0,0|0,0,2]=4 2445 B10R1.245 c1cc(c(c(c1)F)CN)O MB03739 [0,2,0,0,0,0|1,0,0]=3 2446 B10R1.245 c1cc(c(c(c1)I)C#N)F AB01183 [0,2,0,0,0,0|1,0,1]=4 2447 B10R1.245 c1cc(c(c(c1)I)C#N)O MB37282 [0,2,0,0,0,0|1,0,1]=4 2448 B10R1.245 c1cc(c(c(c1)I)C=O)O MB14699 [0,2,0,0,0,0|0,0,2]=4 2449 B10R1.245 c1cc(c(c(c1)I)CN)O MB31821 [0,2,0,0,0,0|1,0,0]=3 2450 B10R1.245 c1cc(c(c(c1)O)C#N)N MB34868 [0,2,0,0,0,0|1,0,1]=4 2451 B10R1.245 c1cc(c(c(c1)O)C=O)N MB27161 [0,2,0,0,0,0|0,0,2]=4 2452 B10R1.245 c1cc(c(c(c1)O)CN)N MB31845 [0,2,0,0,0,0|1,0,0]=3 2453 B10R1.245 c1cnc(c(c1Cl)CCl)F AB83202 [0,2,0,0,0,0|2,0,0]=4 2454 B10R1.245 c1cnc(c(c1Cl)CN)F AB83203 [0,2,0,0,0,0|2,0,0]=4 2455 B10R2.7 c1cc2c(cco2)nc1 PB26741 [0,1,0,1,0,0|1,0,1]=4 2456 B10R2.7 c1cc2c(nc1)CNC2 PB30869 [0,1,0,1,0,0|2,0,0]=4 2457 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [0,1,0,1,0,0|2,0,0]=4 2458 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [0,1,0,1,0,0|1,0,0]=3 2459 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [0,1,0,1,0,0|1,0,0]=3 2460 B10R2.7 c1cncc2=CCN=c21 PB12213 [0,1,0,1,0,0|2,0,0]=4 2461 B10R2.7 c1cncc2=NCC=c21 PB21773 [0,1,0,1,0,0|2,0,0]=4 2462 B10R2.7 c1cncc2c1CNC2 AB30511 [0,1,0,1,0,0|2,0,0]=4 2463 B10R2.7 c1cncc2c1CNC2 PB24193 [0,1,0,1,0,0|2,0,0]=4 2464 B6R1.2 CC1=CN=CC1 PB12076 [1,0,0,0,1,0|1,0,1]=4 2465 B6R1.2 CC1=NC=CC1 AB12705 [1,0,0,0,1,0|1,0,1]=4 2466 B6R1.2 Cc1ccon1 AB01288 [1,0,0,0,1,0|2,0,0]=4 2467 B6R1.2 Cc1cocn1 AB63545 [1,0,0,0,1,0|2,0,0]=4 2468 B6R1.2 Cn1cccn1 PB33818 [1,0,0,0,1,0|2,0,0]=4 2469 B6R1.2 c1cc(oc1)Br AB04890 [1,0,0,0,1,0|2,0,0]=4 2470 B6R1.2 c1cc(sc1)N AB08372 [1,0,0,0,1,0|2,0,0]=4 2471 B6R1.2 c1ccn(c1)N PB33802 [1,0,0,0,1,0|2,0,0]=4 2472 B6R1.2 c1conc1O MB20248 [1,0,0,0,1,0|2,0,0]=4 2473 B6R1.2 c1csc(n1)O AB10887 [1,0,0,0,1,0|2,0,0]=4 2474 B6R1.2 c1cscc1N MB09694 [1,0,0,0,1,0|2,0,0]=4 2475 B6R1.2 c1cscc1N PB23357 [1,0,0,0,1,0|2,0,0]=4