0 B8R1.2 COc1cccnc1 CM10357 [0,0,0,0,0,0|1,0,0]=1 1 B7R1.3 c1c(cncn1)Br CM14047 [1,0,0,0,0,0|3,0,0]=4 2 B7R1.3 c1cc(cnc1)F CM13853 [1,0,0,0,0,0|2,0,0]=3 3 B7R1.3 c1ccnc(c1)Cl CM13847 [1,0,0,0,0,0|2,0,0]=3 4 B7R1.3 c1cnc(nc1)Br CM14046 [1,0,0,0,0,0|3,0,0]=4 5 B7R1.3 c1cnc(nc1)Cl CM14045 [1,0,0,0,0,0|3,0,0]=4 6 B7R1.3 c1cnc(nc1)I CM14295 [1,0,0,0,0,0|3,0,0]=4 7 B7R1.3 c1cncnc1N CM10689 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.1 C=Cc1ccc(nc1)Br CM10147 [0,1,0,0,0,0|2,0,1]=4 9 B9R1.1 CCc1ccc(cc1)F CM10050 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.1 CCc1ccc(cn1)Br CM10444 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.1 CCc1ncc(cn1)Br CM10686 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.1 CNc1ccc(cc1)I CM11495 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.1 COc1ccc(cc1)F CM11749 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.1 COc1ccc(nc1)Br CM10454 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.1 COc1cnc(nc1)Cl CM14296 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.1 COc1ncc(cn1)Br CM14291 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.1 Cc1ccc(nc1)C#N CM10108 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.1 c1cc(ncc1C=O)Br CM13843 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.2 CCc1cccc(c1)Br CM12087 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.2 CCc1cccc(c1)N CM11452 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.2 CNc1cccc(c1)O CM10115 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.2 COc1cc(ccn1)Br CM10671 [0,1,0,0,0,0|1,0,0]=2 23 B9R1.2 COc1cc(ncn1)Br CM10842 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.2 COc1cc(ncn1)I CM10843 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.2 COc1cc(ncn1)N CM10847 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.2 COc1cc(nnc1)O CM11073 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.2 COc1ccnc(n1)Br CM10844 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.2 COc1ccnc(n1)N CM10846 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.2 COc1nccc(n1)N CM10845 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.2 CSc1cccc(n1)Br CM10114 [0,1,0,0,0,0|1,1,0]=3 31 B9R1.6 CN(C)c1cncnc1 CM10165 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.6 c1ccnc(c1)C(=N)N CM13839 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.15 CCc1c(cccn1)Br CM10670 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.15 COc1c(nccn1)N CM10653 [0,1,0,0,0,0|0,0,0]=1 35 B9R1.15 COc1cccnc1Br CM14120 [0,1,0,0,0,0|1,0,0]=2 36 B9R1.15 COc1cccnc1N CM10903 [0,1,0,0,0,0|1,0,0]=2 37 B9R1.15 COc1cnccc1N CM10329 [0,1,0,0,0,0|1,0,0]=2 38 B9R1.15 CSc1ccccc1I CM11822 [0,1,0,0,0,0|2,1,0]=4 39 B9R1.15 Cc1ccncc1C=O CM10260 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.15 c1cncc(c1O)C#N CM10064 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.1 c1c(nc[nH]1)C#N CM14071 [0,0,0,0,1,0|2,0,1]=4 42 B7R1.1 c1c(nc[nH]1)C=O CM14068 [0,0,0,0,1,0|2,0,1]=4 43 B7R1.1 c1c[nH]nc1CCl CM10174 [0,0,0,0,1,0|3,0,0]=4 44 B7R1.1 c1cc([nH]c1)C=O CM13861 [0,0,0,0,1,0|2,0,1]=4 45 B8R1.3 Cc1ccc(=O)[nH]n1 CM11032 [1,1,0,0,0,0|2,0,0]=4 46 B8R1.3 Cc1ccc(cn1)N CM14483 [1,1,0,0,0,0|1,0,0]=3 47 B8R1.3 Cc1ccc(nn1)Br CM11114 [1,1,0,0,0,0|2,0,0]=4 48 B8R1.3 Cc1ncc(cn1)Br CM10466 [1,1,0,0,0,0|2,0,0]=4 49 B8R1.3 c1c(cnc(n1)Cl)O CM14258 [1,1,0,0,0,0|2,0,0]=4 50 B8R1.3 c1c(ncc(n1)Br)F CM10435 [1,1,0,0,0,0|1,0,0]=3 51 B8R1.3 c1c(ncc(n1)Cl)Cl CM10433 [1,1,0,0,0,0|1,0,0]=3 52 B8R1.3 c1cc(ccc1O)F CM11750 [1,1,0,0,0,0|2,0,0]=4 53 B8R1.3 c1cc(ncc1Br)Br CM14111 [1,1,0,0,0,0|2,0,0]=4 54 B8R1.3 c1cc(ncc1Br)F CM14457 [1,1,0,0,0,0|2,0,0]=4 55 B8R1.3 c1cc(ncc1F)Br CM14029 [1,1,0,0,0,0|2,0,0]=4 56 B8R1.3 c1cc(ncc1N)Cl CM13842 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.4 Cc1cccc(n1)Br CM14044 [1,1,0,0,0,0|1,0,0]=3 58 B8R1.4 Cc1ccnc(n1)Cl CM13850 [1,1,0,0,0,0|2,0,0]=4 59 B8R1.4 c1c(cncc1Br)F CM14471 [1,1,0,0,0,0|2,0,0]=4 60 B8R1.4 c1c(cncc1Br)N CM14469 [1,1,0,0,0,0|2,0,0]=4 61 B8R1.4 c1c(cncc1Br)O CM14470 [1,1,0,0,0,0|1,0,0]=3 62 B8R1.4 c1c(cncc1Cl)O CM10662 [1,1,0,0,0,0|1,0,0]=3 63 B8R1.4 c1c(cncc1F)O CM10665 [1,1,0,0,0,0|1,0,0]=3 64 B8R1.4 c1c(cncc1O)O CM10452 [1,1,0,0,0,0|1,0,0]=3 65 B8R1.4 c1c(ncnc1O)N CM11043 [1,1,0,0,0,0|2,0,0]=4 66 B8R1.4 c1cc(cc(c1)F)O CM11748 [1,1,0,0,0,0|2,0,0]=4 67 B8R1.4 c1cc(nc(c1)Br)O CM10270 [1,1,0,0,0,0|1,0,0]=3 68 B8R1.4 c1cnc(cc1Br)N CM14041 [1,1,0,0,0,0|2,0,0]=4 69 B8R1.4 c1cnc(cc1Cl)Cl CM14034 [1,1,0,0,0,0|2,0,0]=4 70 B8R1.4 c1cnc(cc1I)Cl CM14039 [1,1,0,0,0,0|2,0,0]=4 71 B8R1.4 c1cnc(cc1I)O CM10195 [1,1,0,0,0,0|1,0,0]=3 72 B8R1.4 c1cnc(cc1O)Br CM10678 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.5 Cc1c(cccn1)N CM14488 [1,1,0,0,0,0|1,0,0]=3 74 B8R1.5 Cc1cccnc1Cl CM13849 [1,1,0,0,0,0|1,0,0]=3 75 B8R1.5 c1cc(c(nc1)N)N CM14021 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.5 c1cc(c(nc1)O)F CM10987 [1,1,0,0,0,0|1,0,0]=3 77 B8R1.5 c1cnc(c(n1)N)Br CM10652 [1,1,0,0,0,0|1,0,0]=3 78 B8R1.5 c1cnc(c(n1)N)O CM10654 [1,1,0,0,0,0|0,0,0]=2 79 B8R1.5 c1cncc(c1Cl)Cl CM10292 [1,1,0,0,0,0|2,0,0]=4 80 B8R1.5 c1cncc(c1N)F CM10153 [1,1,0,0,0,0|2,0,0]=4 81 B8R1.5 c1cncc(c1N)N CM14022 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.13 CC(=O)c1ccc(nc1)Cl CM11170 [0,2,0,0,0,0|2,0,0]=4 83 B10R1.25 COc1c(cc(cn1)Br)Br CM10171 [0,2,0,0,0,0|1,0,0]=3 84 B10R1.25 COc1c(cc(cn1)Br)F CM10081 [0,2,0,0,0,0|1,0,0]=3 85 B10R1.25 COc1ccc(cc1Br)F CM11629 [0,2,0,0,0,0|2,0,0]=4 86 B10R1.25 COc1ccc(cc1Cl)F CM11675 [0,2,0,0,0,0|2,0,0]=4 87 B10R1.25 COc1ccc(cc1F)Br CM11639 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.25 COc1ccc(cc1F)N CM11578 [0,2,0,0,0,0|2,0,0]=4 89 B10R1.25 COc1ccc(cc1F)O CM10878 [0,2,0,0,0,0|2,0,0]=4 90 B10R1.25 COc1ccc(cc1I)N CM11589 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.25 COc1ccc(cc1N)F CM10389 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.25 COc1ccc(cc1N)I CM11585 [0,2,0,0,0,0|2,0,0]=4 93 B10R1.25 COc1cnc(nc1Cl)Cl CM14363 [0,2,0,0,0,0|2,0,0]=4 94 B10R1.25 COc1cnc(nc1O)O CM14301 [0,2,0,0,0,0|2,0,0]=4 95 B10R1.25 Cc1cc(ccc1OC)N CM11595 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.25 Cc1ccc(c(c1)Cl)OC CM10214 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.176 COc1ccc(c(c1)Br)Br CM11710 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.176 COc1ccc(c(c1)Br)Cl CM11606 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.176 COc1ccc(c(c1)Br)F CM11635 [0,2,0,0,0,0|2,0,0]=4 100 B10R1.176 COc1ccc(c(c1)Br)N CM11549 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.176 COc1ccc(c(c1)Br)O CM10826 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.176 COc1ccc(c(c1)Cl)Br CM11609 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.176 COc1ccc(c(c1)Cl)I CM10120 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.176 COc1ccc(c(c1)Cl)N CM10924 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.176 COc1ccc(c(c1)F)Br CM11640 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.176 COc1ccc(c(c1)F)Cl CM11682 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.176 COc1ccc(c(c1)F)N CM11580 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.176 COc1ccc(c(c1)F)O CM10554 [0,2,0,0,0,0|2,0,0]=4 109 B10R1.176 COc1ccc(c(c1)I)Br CM11651 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.176 COc1ccc(c(c1)I)N CM11588 [0,2,0,0,0,0|2,0,0]=4 111 B10R1.176 COc1ccc(c(c1)N)Cl CM11555 [0,2,0,0,0,0|2,0,0]=4 112 B10R1.176 COc1ccc(c(c1)N)F CM11576 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.176 COc1ccc(c(c1)N)N CM11705 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.176 COc1ccc(c(c1)N)N CM11706 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.176 Cc1c(cnc(n1)OC)Br CM10485 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.176 Cc1cc(ccc1Br)OC CM10191 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.176 Cc1cc(ccc1N)OC CM11596 [0,2,0,0,0,0|2,0,0]=4 118 B10R1.176 Cc1ccc(cc1Br)OC CM11656 [0,2,0,0,0,0|2,0,0]=4 119 B10R1.176 Cc1ccc(cc1F)OC CM11761 [0,2,0,0,0,0|2,0,0]=4 120 B10R1.176 Cc1ccc(cc1N)OC CM11592 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.2 COc1c(c(ncn1)Cl)N CM14059 [0,2,0,0,0,0|2,0,0]=4 122 B10R1.2 COc1cccc(c1Br)I CM10146 [0,2,0,0,0,0|2,0,0]=4 123 B10R1.2 COc1cccc(c1Br)N CM10475 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.2 COc1cccc(c1Cl)Cl CM11715 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.2 COc1cccc(c1Cl)N CM11554 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.2 COc1cccc(c1F)Br CM11633 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.2 COc1cccc(c1F)F CM11722 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.2 COc1cccc(c1F)N CM11575 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.2 COc1cccc(c1F)O CM10645 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.2 COc1cccc(c1I)F CM11753 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.2 COc1cccc(c1I)N CM11587 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.2 COc1cccc(c1N)F CM11569 [0,2,0,0,0,0|2,0,0]=4 133 B10R1.2 COc1cccc(c1O)Cl CM10886 [0,2,0,0,0,0|2,0,0]=4 134 B10R1.2 COc1cccc(c1O)F CM11754 [0,2,0,0,0,0|2,0,0]=4 135 B10R1.2 Cc1c(cccc1OC)N CM11591 [0,2,0,0,0,0|2,0,0]=4 136 B10R1.2 Cc1cccc(c1C)OC CM11740 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.8 COc1cc(cc(c1)Br)Br CM11711 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.8 COc1cc(cc(c1)Br)F CM11637 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.8 COc1cc(cc(c1)Br)O CM11654 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.8 COc1cc(cc(c1)Cl)Cl CM11716 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.8 COc1nc(cc(n1)Cl)Cl CM14048 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.8 Cc1cc(cc(c1)OC)C CM11742 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.8 Cc1nc(cc(n1)Cl)OC CM14055 [0,2,0,0,0,0|2,0,0]=4 144 B10R1.30 COc1c(ccc(n1)Br)N CM10431 [0,2,0,0,0,0|1,0,0]=3 145 B10R1.30 COc1c(ncc(n1)Br)Br CM10345 [0,2,0,0,0,0|0,0,0]=2 146 B10R1.30 COc1c(ncc(n1)Br)N CM10344 [0,2,0,0,0,0|0,0,0]=2 147 B10R1.30 COc1cc(ccc1Br)F CM11630 [0,2,0,0,0,0|2,0,0]=4 148 B10R1.30 COc1cc(ccc1Br)I CM11648 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.30 COc1cc(ccc1Br)N CM11550 [0,2,0,0,0,0|2,0,0]=4 150 B10R1.30 COc1cc(ccc1Cl)F CM11676 [0,2,0,0,0,0|2,0,0]=4 151 B10R1.30 COc1cc(ccc1Cl)I CM11687 [0,2,0,0,0,0|2,0,0]=4 152 B10R1.30 COc1cc(ccc1Cl)N CM11557 [0,2,0,0,0,0|2,0,0]=4 153 B10R1.30 COc1cc(ccc1Cl)O CM10884 [0,2,0,0,0,0|2,0,0]=4 154 B10R1.30 COc1cc(ccc1F)F CM11723 [0,2,0,0,0,0|2,0,0]=4 155 B10R1.30 COc1cc(ccc1F)N CM11582 [0,2,0,0,0,0|2,0,0]=4 156 B10R1.30 COc1cc(ccc1F)O CM11756 [0,2,0,0,0,0|2,0,0]=4 157 B10R1.30 COc1cc(ccc1I)Br CM11652 [0,2,0,0,0,0|2,0,0]=4 158 B10R1.30 COc1cc(ccc1I)Cl CM11691 [0,2,0,0,0,0|2,0,0]=4 159 B10R1.30 COc1cc(ccc1I)I CM10921 [0,2,0,0,0,0|2,0,0]=4 160 B10R1.30 COc1cc(ccc1N)Br CM10651 [0,2,0,0,0,0|2,0,0]=4 161 B10R1.30 COc1cc(ccc1N)F CM11572 [0,2,0,0,0,0|2,0,0]=4 162 B10R1.30 COc1cc(ccc1N)I CM11586 [0,2,0,0,0,0|2,0,0]=4 163 B10R1.30 COc1cc(ccc1O)N CM10211 [0,2,0,0,0,0|2,0,0]=4 164 B10R1.30 COc1cc(cnc1Br)I CM10904 [0,2,0,0,0,0|1,0,0]=3 165 B10R1.30 COc1cc(cnc1I)I CM10902 [0,2,0,0,0,0|1,0,0]=3 166 B10R1.30 Cc1ccc(c(c1)OC)Br CM11655 [0,2,0,0,0,0|2,0,0]=4 167 B10R1.113 CC(=O)c1cc(ccn1)Cl CM10835 [0,2,0,0,0,0|2,0,0]=4 168 B10R1.113 CC(C)c1cccc(n1)Br CM13845 [0,2,0,0,0,0|2,0,0]=4 169 B10R1.113 CN(C)c1cc(ccn1)Br CM10673 [0,2,0,0,0,0|2,0,0]=4 170 B10R1.113 CN(C)c1cccc(n1)Br CM10139 [0,2,0,0,0,0|2,0,0]=4 171 B10R1.113 Cc1cncc(n1)C(=O)O CM14090 [0,2,0,0,0,0|2,0,0]=4 172 B10R1.113 c1c(nc(cn1)Br)C(=O)O CM10659 [0,2,0,0,0,0|2,0,0]=4 173 B10R1.113 c1c(nc(cn1)Cl)C(=O)O CM10658 [0,2,0,0,0,0|2,0,0]=4 174 B10R1.172 COc1cccc(c1)CCl CM10947 [0,2,0,0,0,0|2,0,0]=4 175 B10R1.15 COC(=O)c1cccnc1 CM10959 [0,2,0,0,0,0|1,0,0]=3 176 B10R1.4 CCOc1cnccc1N CM10330 [0,2,0,0,0,0|1,0,0]=3 177 B10R1.20 CNc1c(cccn1)CO CM14403 [0,2,0,0,0,0|2,0,0]=4 178 B10R1.20 COc1ccccc1CCl CM13440 [0,2,0,0,0,0|2,0,0]=4 179 B10R1.20 COc1ccccc1NN CM13803 [0,2,0,0,0,0|2,0,0]=4 180 B10R1.20 COc1cccnc1C#N CM14023 [0,2,0,0,0,0|1,0,0]=3 181 B10R1.245 COc1c(cccc1Br)F CM11631 [0,2,0,0,0,0|2,0,0]=4 182 B10R1.245 COc1c(cccc1Br)O CM10876 [0,2,0,0,0,0|2,0,0]=4 183 B10R1.245 COc1c(cccc1Cl)F CM11678 [0,2,0,0,0,0|2,0,0]=4 184 B10R1.245 COc1c(cccc1Cl)O CM10468 [0,2,0,0,0,0|2,0,0]=4 185 B10R1.245 COc1c(cccc1F)F CM11726 [0,2,0,0,0,0|2,0,0]=4 186 B10R1.245 COc1c(cccc1F)N CM11574 [0,2,0,0,0,0|2,0,0]=4 187 B10R1.245 COc1c(cccc1I)F CM11752 [0,2,0,0,0,0|2,0,0]=4 188 B6R1.2 Cc1cc[nH]n1 CM14373 [1,0,0,0,1,0|1,0,0]=3 189 B6R1.2 Cn1cnnc1 CM10040 [1,0,0,0,1,0|2,0,0]=4 190 B6R1.2 c1c(cn[nH]1)Br CM10025 [1,0,0,0,1,0|2,0,0]=4 191 B6R1.2 c1c(nc[nH]1)Br CM14070 [1,0,0,0,1,0|1,0,1]=4 192 B6R1.2 c1c(ncs1)Br CM10700 [1,0,0,0,1,0|2,0,0]=4 193 B6R1.2 c1c(scn1)Br CM10418 [1,0,0,0,1,0|2,0,0]=4 194 B6R1.2 c1c(scn1)I CM10701 [1,0,0,0,1,0|2,0,0]=4 195 B6R1.2 c1conc1N CM10019 [1,0,0,0,1,0|2,0,0]=4