0 B9R1.8 C1CCC(=CC1)CCN BC209653 [0,0,0,0,0,0|0,0,4]=4 1 B9R1.8 c1c(cncn1)CC#N BC678765 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.8 c1cc(cnc1)CCN BC226643 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.8 c1ccc(cc1)CC=O BC250050 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.8 c1ccc(cc1)CCBr BC203736 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.8 c1ccc(cc1)CCO BC213746 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.8 c1ccc(cc1)CNN BC652179 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.8 c1ccc(cc1)CNN BC676720 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.8 c1ccnc(c1)CCBr BC216605 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.8 c1cnccc1CCBr BC683652 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.8 c1cnccc1CCO BC201212 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.2 C#Cc1ccccn1 BC225212 [1,0,0,0,0,0|1,0,2]=4 12 B8R1.2 C#Cc1ccncc1 BC677907 [1,0,0,0,0,0|1,0,2]=4 13 B8R1.2 C=Cc1cccnc1 BC675972 [1,0,0,0,0,0|1,0,2]=4 14 B8R1.2 CCc1cccnc1 BC223674 [1,0,0,0,0,0|1,0,0]=2 15 B8R1.2 COc1cccnc1 BC653137 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.2 [C-]#[N+]c1ccccc1 BC297263 [1,0,0,0,0,0|1,0,1]=3 17 B8R1.2 c1c(cncn1)CBr BC678767 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.2 c1c(cncn1)CCl BC678766 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.2 c1c(cncn1)CO BC228080 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.2 c1cc(cnc1)C=O BC221128 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.2 c1cc(cnc1)CBr BC258182 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.2 c1cc(cnc1)CBr BC281217 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.2 c1cc(cnc1)CCl BC204269 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.2 c1cc(cnc1)CN BC205833 [1,0,0,0,0,0|1,0,0]=2 25 B8R1.2 c1cc(cnc1)CO BC209311 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.2 c1cc(cnc1)NN BC231979 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.2 c1cc(cnc1)NN BC686688 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.2 c1cc(cnc1)NN BC686691 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.2 c1ccc(cc1)CBr BC220250 [1,0,0,0,0,0|1,0,0]=2 30 B8R1.2 c1ccc(cc1)CCl BC210975 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.2 c1ccc(cc1)CO BC222892 [1,0,0,0,0,0|1,0,0]=2 32 B8R1.2 c1ccc(cc1)N=O BC684726 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.2 c1ccc(cc1)[Mg]Br BC653680 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.2 c1ccnc(c1)CCl BC213218 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.2 c1ccnc(c1)CCl BC227992 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.2 c1cnc(nc1)CCl BC212037 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.2 c1cnc(nc1)CN BC671460 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.2 c1cncnc1CO BC228082 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.1 CCOc1ccc(cn1)N BC215883 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.1 CCOc1ccc(nc1)Cl BC228804 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.1 COCc1ccc(cc1)O BC674868 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.1 Cc1ccc(cc1)CC#N BC205621 [0,1,0,0,0,0|0,0,2]=3 43 B10R1.1 c1cc(ccc1CC#N)Br BC227508 [0,1,0,0,0,0|0,0,2]=3 44 B10R1.1 c1cc(ccc1CC#N)N BC676372 [0,1,0,0,0,0|0,0,2]=3 45 B10R1.1 c1cc(ccc1CCBr)Cl BC658954 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.1 c1cc(ccc1CCN)Br BC205235 [0,1,0,0,0,0|0,0,0]=1 47 B10R1.1 c1cc(ccc1CCO)Br BC646236 [0,1,0,0,0,0|1,0,0]=2 48 B10R1.1 c1cc(ccc1CCO)O BC676907 [0,1,0,0,0,0|1,0,0]=2 49 B10R1.1 c1cc(ccc1N=C=O)F BC219243 [0,1,0,0,0,0|2,0,1]=4 50 B10R1.1 c1cc(ccc1\C=N\O)F BC684728 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.1 c1cc(ncc1Br)CC#N BC216615 [0,1,0,0,0,0|1,0,2]=4 52 B10R1.4 CCOc1cccnc1Br BC228753 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.4 CCOc1cccnc1N BC228705 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.4 c1ccc(c(c1)CC#N)Br BC227507 [0,1,0,0,0,0|0,0,2]=3 55 B10R1.4 c1ccc(c(c1)CCN)Br BC202041 [0,1,0,0,0,0|0,0,0]=1 56 B10R1.4 c1ccc(c(c1)CCO)N BC202238 [0,1,0,0,0,0|1,0,0]=2 57 B10R1.4 c1ccc(c(c1)N=C=O)Cl BC210104 [0,1,0,0,0,0|2,0,1]=4 58 B10R1.10 CCCc1cccc(c1)N BC679945 [0,1,0,0,0,0|1,0,0]=2 59 B10R1.10 CCOc1cc(cnc1)Br BC652457 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.10 CCOc1cc(cnc1)N BC680839 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.10 CCOc1ccnc(c1)N BC202201 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.10 CNCc1cccc(c1)Br BC653644 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.10 c1cc(cc(c1)Br)CC#N BC203406 [0,1,0,0,0,0|0,0,2]=3 64 B10R1.10 c1cc(cc(c1)Br)CCO BC645716 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.10 c1cc(cc(c1)O)CCN BC600077 [0,1,0,0,0,0|0,0,0]=1 66 B10R1.10 c1cc(cc(c1)O)\C=C\Br BC600241 [0,1,0,0,0,0|1,0,2]=4 67 B10R1.15 C#CC(c1ccccc1)O BC218343 [0,1,0,0,0,0|1,0,1]=3 68 B10R1.15 CC[C@H](c1ccccc1)N BC201033 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.15 c1ccc(cc1)C(=O)CN BC222358 [0,1,0,0,0,0|0,0,1]=2 70 B10R1.15 c1ccc(cc1)C(C#N)Br BC620262 [0,1,0,0,0,0|0,0,2]=3 71 B10R1.15 c1ccc(cc1)C(CCl)O BC651818 [0,1,0,0,0,0|1,0,0]=2 72 B10R1.15 c1ccc(cc1)[C@H](CO)N BC204938 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.15 c1ccnc(c1)C(=O)CBr BC684167 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.15 c1cnccc1C(=O)CBr BC677150 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.15 c1cnccc1C(=O)NN BC204682 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.17 CNCCc1ccccn1 BC218953 [0,1,0,0,0,0|1,0,0]=2 77 B10R1.17 c1ccc(cc1)C#CCN BC211901 [0,1,0,0,0,0|0,0,1]=2 78 B10R1.17 c1ccc(cc1)C#CCO BC222107 [0,1,0,0,0,0|1,0,1]=3 79 B10R1.17 c1ccc(cc1)NCC#N BC219610 [0,1,0,0,0,0|0,0,2]=3 80 B10R1.17 c1ccc(cc1)OCCBr BC209483 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.17 c1ccc(cc1)OCCO BC208517 [0,1,0,0,0,0|1,0,0]=2 82 B10R1.17 c1ccc(cc1)\C=C\C#N BC225038 [0,1,0,0,0,0|0,0,3]=4 83 B10R1.17 c1cnccc1CCCO BC222234 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.18 CC(=O)Cc1ccccc1 BC250367 [0,1,0,0,0,0|1,0,1]=3 85 B10R1.18 CC(C)Nc1ccccc1 BC208321 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.18 c1cc(cnc1)CC(=O)O BC228147 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.18 c1ccc(cc1)C=C(Br)Br BC600066 [0,1,0,0,0,0|1,0,2]=4 88 B10R1.18 c1ccnc(c1)CC(=O)O BC210696 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.18 c1ccnc(c1)CC(=O)O BC653678 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.18 c1cnccc1CC(=O)O BC220630 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.4 CCC\C=C\C=C\C=O BC218795 [0,0,1,0,0,0|2,0,0]=3 92 B10R2.7 c1c[nH]c2c1ccnc2 BC213329 [0,0,0,1,0,0|1,0,2]=4 93 B10R2.7 c1c[nH]c2c1cncc2 BC208309 [0,0,0,1,0,0|1,0,2]=4 94 B10R2.7 c1cc2c(cc[nH]2)nc1 BC213328 [0,0,0,1,0,0|1,0,2]=4 95 B10R2.7 c1cc2c(nc1)CNC2 BC202976 [0,0,0,1,0,0|3,0,0]=4 96 B10R2.7 c1cc2c(nc1)CNC2 BC657106 [0,0,0,1,0,0|3,0,0]=4 97 B10R2.7 c1cc2c(nc1)CNC2 BC682032 [0,0,0,1,0,0|3,0,0]=4 98 B10R2.7 c1cc2c(nc1)CNC2 BC683702 [0,0,0,1,0,0|3,0,0]=4 99 B10R2.7 c1cc2cc[nH]c2nc1 BC213330 [0,0,0,1,0,0|1,0,2]=4 100 B10R2.7 c1ccc2c(c1)CC=C2 BC218987 [0,0,0,1,0,0|1,0,1]=3 101 B10R2.7 c1ccc2c(c1)CCN2 BC219733 [0,0,0,1,0,0|0,0,0]=1 102 B10R2.7 c1ccc2c(c1)CCO2 BC207982 [0,0,0,1,0,0|1,0,0]=2 103 B10R2.7 c1ccc2c(c1)CNC2 BC217544 [0,0,0,1,0,0|2,0,0]=3 104 B10R2.7 c1ccc2c(c1)CNC2 BC682033 [0,0,0,1,0,0|2,0,0]=3 105 B10R2.7 c1ccc2c(c1)[nH]nn2 BC227994 [0,0,0,1,0,0|2,0,0]=3 106 B10R2.7 c1ccc2c(c1)cn[nH]2 BC226232 [0,0,0,1,0,0|1,0,1]=3 107 B10R2.7 c1ccc2c(c1)nco2 BC200554 [0,0,0,1,0,0|1,0,2]=4 108 B10R2.7 c1cncc2c1CNC2 BC202975 [0,0,0,1,0,0|3,0,0]=4 109 B10R2.320 c1ccc2c(c1)CC2=O BC225121 [0,0,0,1,0,0|1,0,1]=3 110 B8R1.8 c1c(nc[nH]1)CCCl BC206376 [0,0,0,0,1,0|3,0,0]=4 111 B8R1.8 c1c(nc[nH]1)CCN BC205752 [0,0,0,0,1,0|2,0,0]=3 112 B8R1.8 c1c(nc[nH]1)CCN BC206197 [0,0,0,0,1,0|2,0,0]=3 113 B8R1.8 c1c(nc[nH]1)CCO BC678874 [0,0,0,0,1,0|3,0,0]=4 114 B8R1.8 c1ncn(n1)CCN BC685962 [0,0,0,0,1,0|3,0,0]=4 115 B7R0.1 CC\C=C\C=C\C=O BC218794 [1,0,1,0,0,0|1,0,0]=3 116 B7R1.3 Cc1cccnc1 BC228007 [2,0,0,0,0,0|1,0,0]=3 117 B7R1.3 c1cc(cnc1)Cl BC209276 [2,0,0,0,0,0|2,0,0]=4 118 B7R1.3 c1cc(cnc1)I BC225230 [2,0,0,0,0,0|2,0,0]=4 119 B7R1.3 c1cc(cnc1)S BC244412 [2,0,0,0,0,0|2,0,0]=4 120 B7R1.3 c1cc(nnc1)N BC649957 [2,0,0,0,0,0|2,0,0]=4 121 B7R1.3 c1cc[n+](cc1)[O-] BC227085 [2,0,0,0,0,0|2,0,0]=4 122 B7R1.3 c1ccnc(c1)Cl BC653330 [2,0,0,0,0,0|2,0,0]=4 123 B7R1.3 c1cnc(nc1)N BC209308 [2,0,0,0,0,0|2,0,0]=4 124 B7R1.3 c1cnccc1Br BC204910 [2,0,0,0,0,0|2,0,0]=4 125 B7R1.3 c1cnccc1F BC219199 [2,0,0,0,0,0|2,0,0]=4 126 B7R1.3 c1cnccc1F BC227092 [2,0,0,0,0,0|2,0,0]=4 127 B7R1.3 c1cnccc1I BC206126 [2,0,0,0,0,0|2,0,0]=4 128 B7R1.3 c1cnccc1N BC227053 [2,0,0,0,0,0|1,0,0]=3 129 B7R1.3 c1cncnc1N BC653395 [2,0,0,0,0,0|2,0,0]=4 130 B7R1.3 c1cnncc1N BC659705 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.1 C#Cc1ccc(cc1)F BC215301 [1,1,0,0,0,0|0,0,2]=4 132 B9R1.1 C#Cc1ccc(cc1)O BC671095 [1,1,0,0,0,0|0,0,2]=4 133 B9R1.1 C=Cc1ccc(cc1)F BC227580 [1,1,0,0,0,0|0,0,2]=4 134 B9R1.1 CCc1cnc(nc1)Cl BC227195 [1,1,0,0,0,0|2,0,0]=4 135 B9R1.1 CNc1ccc(cc1)N BC220840 [1,1,0,0,0,0|1,0,0]=3 136 B9R1.1 COc1cc[n+](cc1)[O-] BC209280 [1,1,0,0,0,0|2,0,0]=4 137 B9R1.1 COc1ccc(cc1)Br BC676620 [1,1,0,0,0,0|1,0,0]=3 138 B9R1.1 COc1ccc(cc1)N BC206279 [1,1,0,0,0,0|1,0,0]=3 139 B9R1.1 COc1ccc(cn1)F BC208854 [1,1,0,0,0,0|2,0,0]=4 140 B9R1.1 COc1ccc(cn1)I BC228888 [1,1,0,0,0,0|2,0,0]=4 141 B9R1.1 COc1ccc(cn1)N BC204592 [1,1,0,0,0,0|2,0,0]=4 142 B9R1.1 COc1ccc(cn1)O BC678852 [1,1,0,0,0,0|2,0,0]=4 143 B9R1.1 Cc1ccc(cc1)C#C BC213353 [1,1,0,0,0,0|0,0,2]=4 144 B9R1.1 Cc1ccc(cc1)C#N BC676397 [1,1,0,0,0,0|0,0,2]=4 145 B9R1.1 Cc1ccc(cc1)C=O BC211019 [1,1,0,0,0,0|1,0,1]=4 146 B9R1.1 Cc1ccc(cc1)CBr BC200614 [1,1,0,0,0,0|1,0,0]=3 147 B9R1.1 Cc1ccc(cc1)CN BC211128 [1,1,0,0,0,0|0,0,0]=2 148 B9R1.1 Cc1ccc(cc1)NN BC213413 [1,1,0,0,0,0|1,0,0]=3 149 B9R1.1 Cc1ccc(cc1)NN BC216063 [1,1,0,0,0,0|1,0,0]=3 150 B9R1.1 Cc1ccc(cn1)NN BC686683 [1,1,0,0,0,0|2,0,0]=4 151 B9R1.1 Cc1ccc(cn1)OC BC224186 [1,1,0,0,0,0|2,0,0]=4 152 B9R1.1 c1cc(ccc1C#N)N BC226364 [1,1,0,0,0,0|0,0,2]=4 153 B9R1.1 c1cc(ccc1C=O)Br BC213531 [1,1,0,0,0,0|1,0,1]=4 154 B9R1.1 c1cc(ccc1C=O)N BC204291 [1,1,0,0,0,0|1,0,1]=4 155 B9R1.1 c1cc(ccc1C=O)O BC227835 [1,1,0,0,0,0|1,0,1]=4 156 B9R1.1 c1cc(ccc1CBr)Cl BC202439 [1,1,0,0,0,0|1,0,0]=3 157 B9R1.1 c1cc(ccc1CCl)Cl BC678529 [1,1,0,0,0,0|1,0,0]=3 158 B9R1.1 c1cc(ccc1CN)N BC676433 [1,1,0,0,0,0|0,0,0]=2 159 B9R1.1 c1cc(ccc1CN)O BC210625 [1,1,0,0,0,0|0,0,0]=2 160 B9R1.1 c1cc(ccc1CO)I BC220492 [1,1,0,0,0,0|1,0,0]=3 161 B9R1.1 c1cc(ccc1CO)O BC227836 [1,1,0,0,0,0|1,0,0]=3 162 B9R1.1 c1cc(ccc1NN)Br BC213412 [1,1,0,0,0,0|1,0,0]=3 163 B9R1.1 c1cc(ccc1NN)Cl BC675025 [1,1,0,0,0,0|1,0,0]=3 164 B9R1.1 c1cc(ccc1NN)F BC206790 [1,1,0,0,0,0|1,0,0]=3 165 B9R1.1 c1cc(ncc1Br)CO BC219783 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.1 c1cc(ncc1CCl)Cl BC201251 [1,1,0,0,0,0|2,0,0]=4 167 B9R1.1 c1cc(ncc1CO)F BC221862 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.1 c1cc(ncc1CO)O BC228000 [1,1,0,0,0,0|2,0,0]=4 169 B9R1.2 C#Cc1cccc(c1)F BC215302 [1,1,0,0,0,0|0,0,2]=4 170 B9R1.2 C#Cc1cccc(c1)N BC677915 [1,1,0,0,0,0|0,0,2]=4 171 B9R1.2 CCc1cccc(c1)Br BC675848 [1,1,0,0,0,0|0,0,0]=2 172 B9R1.2 CCc1cccc(c1)N BC219618 [1,1,0,0,0,0|0,0,0]=2 173 B9R1.2 COc1cc(ccn1)I BC221863 [1,1,0,0,0,0|2,0,0]=4 174 B9R1.2 COc1cc(cnc1)N BC678830 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.2 COc1cccc(c1)Br BC208526 [1,1,0,0,0,0|1,0,0]=3 176 B9R1.2 COc1cccc(n1)N BC205868 [1,1,0,0,0,0|2,0,0]=4 177 B9R1.2 COc1ccnc(c1)Cl BC201211 [1,1,0,0,0,0|2,0,0]=4 178 B9R1.2 COc1ccnc(c1)N BC225237 [1,1,0,0,0,0|2,0,0]=4 179 B9R1.2 CSc1cccc(c1)I BC210370 [1,1,0,0,0,0|1,0,0]=3 180 B9R1.2 Cc1cccc(c1)C#C BC221826 [1,1,0,0,0,0|0,0,2]=4 181 B9R1.2 Cc1cccc(n1)CO BC225232 [1,1,0,0,0,0|2,0,0]=4 182 B9R1.2 Cc1cccc(n1)OC BC207375 [1,1,0,0,0,0|2,0,0]=4 183 B9R1.2 c1c(cncc1Br)CCl BC200350 [1,1,0,0,0,0|2,0,0]=4 184 B9R1.2 c1c(cncc1Br)CO BC207465 [1,1,0,0,0,0|2,0,0]=4 185 B9R1.2 c1cc(cc(c1)Br)C=O BC211001 [1,1,0,0,0,0|1,0,1]=4 186 B9R1.2 c1cc(cc(c1)Cl)C#N BC209644 [1,1,0,0,0,0|0,0,2]=4 187 B9R1.2 c1cc(cc(c1)Cl)C=O BC227688 [1,1,0,0,0,0|1,0,1]=4 188 B9R1.2 c1cc(cc(c1)Cl)NN BC213414 [1,1,0,0,0,0|1,0,0]=3 189 B9R1.2 c1cc(cc(c1)F)CCl BC675428 [1,1,0,0,0,0|1,0,0]=3 190 B9R1.2 c1cc(cc(c1)O)C=O BC226069 [1,1,0,0,0,0|1,0,1]=4 191 B9R1.2 c1cc(nc(c1)Br)CBr BC208401 [1,1,0,0,0,0|2,0,0]=4 192 B9R1.2 c1cc(nc(c1)Br)CO BC208400 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.2 c1cc(nc(c1)Br)NN BC679670 [1,1,0,0,0,0|2,0,0]=4 194 B9R1.2 c1cc(nc(c1)Cl)CO BC208690 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.2 c1cnc(cc1Br)CO BC222259 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.2 c1cnc(cc1CO)Br BC207432 [1,1,0,0,0,0|2,0,0]=4 197 B9R1.2 c1cnc(cc1CO)Cl BC208450 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.2 c1cnc(cc1CO)N BC228974 [1,1,0,0,0,0|2,0,0]=4 199 B9R1.2 c1cnc(cc1NN)Cl BC675240 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.6 B(c1ccccc1)(O)O BC207007 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.6 CC(=O)c1ccccc1 BC206207 [1,1,0,0,0,0|0,0,1]=3 202 B9R1.6 CC(=O)c1cccnc1 BC207736 [1,1,0,0,0,0|1,0,1]=4 203 B9R1.6 CC(=O)c1ccncc1 BC204635 [1,1,0,0,0,0|1,0,1]=4 204 B9R1.6 CN(C)c1ccncc1 BC206167 [1,1,0,0,0,0|2,0,0]=4 205 B9R1.6 CN(c1ccccc1)N BC677890 [1,1,0,0,0,0|1,0,0]=3 206 B9R1.6 C[C@@H](c1ccccc1)N BC676690 [1,1,0,0,0,0|0,0,0]=2 207 B9R1.6 C[C@H](c1ccccc1)N BC226220 [1,1,0,0,0,0|0,0,0]=2 208 B9R1.6 c1cc(cnc1)C(=O)N BC676662 [1,1,0,0,0,0|1,0,1]=4 209 B9R1.6 c1ccc(cc1)C(=N)N BC228100 [1,1,0,0,0,0|0,0,1]=3 210 B9R1.6 c1ccc(cc1)P(Cl)Cl BC226377 [1,1,0,0,0,0|2,0,0]=4 211 B9R1.6 c1cnccc1C(=N)N BC223492 [1,1,0,0,0,0|1,0,1]=4 212 B9R1.15 C#Cc1ccccc1Br BC215310 [1,1,0,0,0,0|0,0,2]=4 213 B9R1.15 CC[n+]1ccccc1Br BC202357 [1,1,0,0,0,0|1,0,0]=3 214 B9R1.15 CCc1c(nccn1)C BC210593 [1,1,0,0,0,0|2,0,0]=4 215 B9R1.15 CCc1c(nccn1)Cl BC210275 [1,1,0,0,0,0|2,0,0]=4 216 B9R1.15 CCc1ccccc1Br BC675847 [1,1,0,0,0,0|0,0,0]=2 217 B9R1.15 CNc1ccccc1F BC206749 [1,1,0,0,0,0|1,0,0]=3 218 B9R1.15 COc1c(cccn1)I BC216931 [1,1,0,0,0,0|2,0,0]=4 219 B9R1.15 COc1ccc[nH]c1=O BC228848 [1,1,0,0,0,0|2,0,0]=4 220 B9R1.15 COc1cccnc1Cl BC201214 [1,1,0,0,0,0|2,0,0]=4 221 B9R1.15 Cc1ccccc1C#C BC251006 [1,1,0,0,0,0|0,0,2]=4 222 B9R1.15 Cc1ccccc1C#N BC675264 [1,1,0,0,0,0|0,0,2]=4 223 B9R1.15 c1cc(c(nc1)N)CO BC208411 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.15 c1ccc(c(c1)C#N)I BC211028 [1,1,0,0,0,0|0,0,2]=4 225 B9R1.15 c1ccc(c(c1)C#N)N BC227634 [1,1,0,0,0,0|0,0,2]=4 226 B9R1.15 c1ccc(c(c1)C#N)O BC211029 [1,1,0,0,0,0|0,0,2]=4 227 B9R1.15 c1ccc(c(c1)C=O)Br BC227689 [1,1,0,0,0,0|1,0,1]=4 228 B9R1.15 c1ccc(c(c1)CBr)Cl BC226691 [1,1,0,0,0,0|1,0,0]=3 229 B9R1.15 c1ccc(c(c1)CBr)F BC675325 [1,1,0,0,0,0|1,0,0]=3 230 B9R1.15 c1ccc(c(c1)CN)I BC227344 [1,1,0,0,0,0|0,0,0]=2 231 B9R1.15 c1ccc(c(c1)CO)Br BC211129 [1,1,0,0,0,0|1,0,0]=3 232 B9R1.15 c1ccc(c(c1)NN)Br BC685827 [1,1,0,0,0,0|1,0,0]=3 233 B9R1.15 c1cncc(c1CO)Cl BC256219 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.15 c1cncc(c1Cl)CO BC679667 [1,1,0,0,0,0|2,0,0]=4 235 B9R1.15 c1cncc(c1N)CO BC208026 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.12 c1ccn(c1)CCCBr BC653419 [0,1,0,0,1,0|2,0,0]=4 237 B11R1.1 c1cc(ccc1CCCBr)Cl BC681641 [0,2,0,0,0,0|1,0,0]=3 238 B11R1.1 c1cc(ccc1CCCO)Br BC653959 [0,2,0,0,0,0|1,0,0]=3 239 B11R1.1 c1cc(ccc1\C=C\CO)Br BC600228 [0,2,0,0,0,0|1,0,1]=4 240 B11R1.20 CC(=O)Cc1ccc(cc1)O BC211152 [0,2,0,0,0,0|1,0,1]=4 241 B11R1.20 CC(C)Cc1ccc(cc1)Br BC214997 [0,2,0,0,0,0|1,0,0]=3 242 B11R1.20 c1cc(ccc1CC(=O)O)Br BC203407 [0,2,0,0,0,0|1,0,1]=4 243 B11R1.20 c1cc(ccc1CC(=O)O)O BC228201 [0,2,0,0,0,0|1,0,1]=4 244 B11R1.20 c1cc(ccc1N)OC(F)F BC219657 [0,2,0,0,0,0|2,0,0]=4 245 B11R1.22 CC(C=O)c1ccc(cc1)Cl BC681644 [0,2,0,0,0,0|1,0,1]=4 246 B11R1.22 CCC(=O)c1ccc(cc1)N BC210208 [0,2,0,0,0,0|1,0,1]=4 247 B11R1.22 CCC(=O)c1ccc(cc1)O BC227841 [0,2,0,0,0,0|1,0,1]=4 248 B11R1.22 Cc1ccc(cc1)C(=O)CN BC201176 [0,2,0,0,0,0|0,0,1]=3 249 B11R1.22 Cc1ccc(cc1)C(C)C=O BC600219 [0,2,0,0,0,0|1,0,1]=4 250 B11R1.22 c1cc(ccc1C(=O)CBr)N BC652867 [0,2,0,0,0,0|1,0,1]=4 251 B11R1.22 c1cc(ccc1C(=O)CBr)O BC685303 [0,2,0,0,0,0|1,0,1]=4 252 B11R1.22 c1cc(ccc1C(=O)CN)Br BC201169 [0,2,0,0,0,0|0,0,1]=3 253 B11R1.22 c1cc(ccc1C(=O)CN)Br BC253950 [0,2,0,0,0,0|0,0,1]=3 254 B11R1.22 c1cc(ccc1C(=O)CN)Cl BC201170 [0,2,0,0,0,0|0,0,1]=3 255 B11R1.22 c1cc(ccc1C(=O)CN)F BC201168 [0,2,0,0,0,0|0,0,1]=3 256 B11R1.22 c1cc(ccc1C(=O)CN)F BC201440 [0,2,0,0,0,0|0,0,1]=3 257 B11R1.22 c1cc(ccc1C(CBr)Br)F BC203750 [0,2,0,0,0,0|1,0,0]=3 258 B11R1.81 CCCc1ccc(cc1O)O BC207608 [0,2,0,0,0,0|1,0,0]=3 259 B11R1.81 c1cc(c(cc1Cl)F)CC#N BC210978 [0,2,0,0,0,0|0,0,2]=4 260 B11R1.83 CCc1ccc(nc1)CCO BC207828 [0,2,0,0,0,0|2,0,0]=4 261 B11R1.83 CNCc1ccc(cc1)OC BC645310 [0,2,0,0,0,0|2,0,0]=4 262 B11R1.83 COCc1ccc(cc1)OC BC620665 [0,2,0,0,0,0|2,0,0]=4 263 B11R1.83 c1cc(ccc1CCN)C#N BC200242 [0,2,0,0,0,0|0,0,0]=2 264 B11R1.83 c1cc(ccc1CCN)C#N BC681147 [0,2,0,0,0,0|0,0,0]=2 265 B11R1.192 c1cc(c(cc1CC#N)Br)F BC650559 [0,2,0,0,0,0|0,0,2]=4 266 B11R1.192 c1cc(c(cc1CC#N)Cl)Cl BC203449 [0,2,0,0,0,0|0,0,2]=4 267 B11R1.192 c1cc(c(cc1CC#N)F)Cl BC210977 [0,2,0,0,0,0|0,0,2]=4 268 B11R1.192 c1cc(c(cc1CCN)O)O BC650941 [0,2,0,0,0,0|0,0,0]=2 269 B11R1.192 c1cc(c(cc1CCO)Cl)Cl BC641562 [0,2,0,0,0,0|1,0,0]=3 270 B11R1.17 CCCOc1c(cccn1)I BC643510 [0,2,0,0,0,0|2,0,0]=4 271 B11R1.17 CCCOc1c(cccn1)N BC256310 [0,2,0,0,0,0|2,0,0]=4 272 B11R1.41 CCOc1ccccc1OC BC676605 [0,2,0,0,0,0|2,0,0]=4 273 B11R1.86 CC(=O)Cc1ccccc1Br BC202120 [0,2,0,0,0,0|1,0,1]=4 274 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F BC204059 [0,2,0,0,0,0|1,0,1]=4 275 B11R1.86 c1ccc(c(c1)CC(=O)O)Br BC210254 [0,2,0,0,0,0|1,0,1]=4 276 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl BC675213 [0,2,0,0,0,0|1,0,1]=4 277 B11R1.182 c1cc(c(cc1F)CC=O)F BC214124 [0,2,0,0,0,0|1,0,1]=4 278 B11R1.182 c1cc(c(cc1N)CCO)N BC209154 [0,2,0,0,0,0|1,0,0]=3 279 B11R1.222 c1ccc(c(c1)C(=O)CN)Br BC201182 [0,2,0,0,0,0|0,0,1]=3 280 B11R1.222 c1ccc(c(c1)C(=O)CN)Cl BC201181 [0,2,0,0,0,0|0,0,1]=3 281 B11R1.222 c1ccc(c(c1)C(=O)CN)F BC201180 [0,2,0,0,0,0|0,0,1]=3 282 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl BC225151 [0,2,0,0,0,0|1,0,1]=4 283 B11R1.23 CCC(=O)c1cccc(c1)Cl BC226916 [0,2,0,0,0,0|1,0,1]=4 284 B11R1.23 CCC(=O)c1cccc(c1)N BC210207 [0,2,0,0,0,0|1,0,1]=4 285 B11R1.23 CCC(=O)c1cccc(c1)O BC210632 [0,2,0,0,0,0|1,0,1]=4 286 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl BC219638 [0,2,0,0,0,0|1,0,1]=4 287 B11R1.23 c1cc(cc(c1)Cl)C(CN)O BC210180 [0,2,0,0,0,0|0,0,0]=2 288 B11R1.34 c1c(cc(cc1Br)Br)CC#N BC227528 [0,2,0,0,0,0|0,0,2]=4 289 B11R1.34 c1c(cc(cc1F)Br)CC#N BC650560 [0,2,0,0,0,0|0,0,2]=4 290 B11R1.157 c1cc(cc(c1)Br)CC(=O)O BC210255 [0,2,0,0,0,0|1,0,1]=4 291 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O BC226914 [0,2,0,0,0,0|1,0,1]=4 292 B11R1.157 c1cc(cc(c1)I)CC(=O)O BC227537 [0,2,0,0,0,0|1,0,1]=4 293 B11R1.157 c1cc(cc(c1)N)CC(=O)O BC676470 [0,2,0,0,0,0|1,0,1]=4 294 B11R1.189 COc1cccc(c1)CCN BC207606 [0,2,0,0,0,0|0,0,0]=2 295 B11R1.12 COC(c1ccccc1)OC BC214177 [0,2,0,0,0,0|2,0,0]=4 296 B11R1.12 c1ccc(cc1)C(C#N)C#N BC677798 [0,2,0,0,0,0|0,0,2]=4 297 B11R1.16 CN(CCO)c1ccccn1 BC219251 [0,2,0,0,0,0|2,0,0]=4 298 B11R1.16 COCC(=O)c1ccccc1 BC644213 [0,2,0,0,0,0|1,0,1]=4 299 B11R1.16 c1ccc(cc1)C(=O)CCBr BC675527 [0,2,0,0,0,0|1,0,0]=3 300 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O BC681135 [0,2,0,0,0,0|1,0,0]=3 301 B11R1.16 c1ccc(cc1)[C@H](CCCl)O BC201664 [0,2,0,0,0,0|1,0,0]=3 302 B11R1.16 c1ccc(cc1)[C@H](CCO)N BC202108 [0,2,0,0,0,0|1,0,0]=3 303 B11R1.36 CC(C(=O)c1ccccc1)Cl BC210300 [0,2,0,0,0,0|1,0,1]=4 304 B11R1.36 CC(C)C(=O)c1ccccc1 BC213596 [0,2,0,0,0,0|1,0,1]=4 305 B11R1.36 CC(C)[C@@H](c1ccccc1)N BC687879 [0,2,0,0,0,0|1,0,0]=3 306 B11R1.36 c1ccc(cc1)C(C(=O)N)N BC216078 [0,2,0,0,0,0|0,0,1]=3 307 B11R1.36 c1ccc(cc1)C(C(=O)O)O BC204233 [0,2,0,0,0,0|1,0,1]=4 308 B11R1.36 c1ccc(cc1)C(C(=O)O)O BC250758 [0,2,0,0,0,0|1,0,1]=4 309 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N BC675296 [0,2,0,0,0,0|1,0,1]=4 310 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O BC677633 [0,2,0,0,0,0|1,0,1]=4 311 B11R1.28 c1ccc(cc1)CNCCO BC201328 [0,2,0,0,0,0|1,0,0]=3 312 B11R1.28 c1ccc(cc1)COCC=O BC269066 [0,2,0,0,0,0|1,0,0]=3 313 B11R1.28 c1cnccc1CCCCCl BC261689 [0,2,0,0,0,0|2,0,0]=4 314 B11R1.28 c1cnccc1CCCCO BC644122 [0,2,0,0,0,0|2,0,0]=4 315 B11R1.40 c1ccc(cc1)OC(=O)CBr BC200214 [0,2,0,0,0,0|1,0,1]=4 316 B11R1.91 CC(CCc1ccccc1)N BC653661 [0,2,0,0,0,0|0,0,0]=2 317 B11R1.91 c1ccc(cc1)COC(=O)N BC219591 [0,2,0,0,0,0|0,0,1]=3 318 B11R1.509 CC(C)(Cc1ccccc1)O BC677508 [0,2,0,0,0,0|1,0,0]=3 319 B11R1.509 C[N+](C)(C)Cc1ccccc1 BC216106 [0,2,0,0,0,0|2,0,0]=4 320 B11R1.509 c1ccc(cc1)OC(Cl)(Cl)Cl BC221931 [0,2,0,0,0,0|2,0,0]=4 321 B9R2.50 c1ccc2c(c1)CC2 BC658499 [1,0,0,1,0,0|0,0,0]=2 322 B11R2.36 c1cc(cc2c1cc[nH]2)Br BC207398 [0,1,0,1,0,0|0,0,2]=4 323 B11R2.36 c1cc(cc2c1cc[nH]2)F BC214939 [0,1,0,1,0,0|0,0,2]=4 324 B11R2.36 c1cc(cc2c1cc[nH]2)N BC201232 [0,1,0,1,0,0|0,0,2]=4 325 B11R2.36 c1cc(cc2c1cc[nH]2)O BC213327 [0,1,0,1,0,0|0,0,2]=4 326 B11R2.36 c1cc2c(cc1Br)NCC2 BC676536 [0,1,0,1,0,0|0,0,0]=2 327 B11R2.36 c1cc2c(cc1Br)OCO2 BC210789 [0,1,0,1,0,0|2,0,0]=4 328 B11R2.36 c1cc2c(cc1Br)cn[nH]2 BC205731 [0,1,0,1,0,0|1,0,1]=4 329 B11R2.36 c1cc2c(cc1F)cn[nH]2 BC682098 [0,1,0,1,0,0|1,0,1]=4 330 B11R2.36 c1cc2c(cc1I)cn[nH]2 BC657844 [0,1,0,1,0,0|1,0,1]=4 331 B11R2.36 c1cc2c(cc1N)COC2 BC677010 [0,1,0,1,0,0|2,0,0]=4 332 B11R2.36 c1cc2c(cc1N)cn[nH]2 BC207407 [0,1,0,1,0,0|1,0,1]=4 333 B11R2.36 c1cc2c(cc1N)nc[nH]2 BC677353 [0,1,0,1,0,0|1,0,1]=4 334 B11R2.36 c1cc2c(cc1O)cn[nH]2 BC225431 [0,1,0,1,0,0|1,0,1]=4 335 B11R2.36 c1cc2c(cc[nH]2)cc1Br BC200873 [0,1,0,1,0,0|0,0,2]=4 336 B11R2.36 c1cc2c(cc[nH]2)cc1F BC200753 [0,1,0,1,0,0|0,0,2]=4 337 B11R2.36 c1cc2c(cc[nH]2)cc1N BC204540 [0,1,0,1,0,0|0,0,2]=4 338 B11R2.36 c1cc2c(cc[nH]2)cc1O BC201869 [0,1,0,1,0,0|0,0,2]=4 339 B11R2.36 c1cc2cn[nH]c2cc1Br BC203592 [0,1,0,1,0,0|1,0,1]=4 340 B11R2.36 c1cc2cn[nH]c2cc1F BC682097 [0,1,0,1,0,0|1,0,1]=4 341 B11R2.36 c1cc2cn[nH]c2cc1I BC244510 [0,1,0,1,0,0|1,0,1]=4 342 B11R2.36 c1cc2cn[nH]c2cc1N BC207405 [0,1,0,1,0,0|1,0,1]=4 343 B11R2.10 Cc1cc2ccccc2[nH]1 BC200996 [0,1,0,1,0,0|0,0,2]=4 344 B11R2.10 c1cc2c(nc1)CC(=O)N2 BC684571 [0,1,0,1,0,0|1,0,1]=4 345 B11R2.10 c1ccc2c(c1)CC(=O)C2 BC214987 [0,1,0,1,0,0|1,0,1]=4 346 B11R2.10 c1ccc2c(c1)CC(C2)N BC214992 [0,1,0,1,0,0|0,0,0]=2 347 B11R2.10 c1ccc2c(c1)CC(C2)N BC645558 [0,1,0,1,0,0|0,0,0]=2 348 B11R2.10 c1ccc2c(c1)CC(C2)O BC214988 [0,1,0,1,0,0|1,0,0]=3 349 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 BC200827 [0,1,0,1,0,0|1,0,1]=4 350 B11R2.10 c1ccc2c(c1)[nH]c(n2)S BC201300 [0,1,0,1,0,0|1,0,1]=4 351 B11R2.20 c1c2c(ncn1)CCNC2 BC682213 [0,1,0,1,0,0|2,0,0]=4 352 B11R2.20 c1c2c(ncn1)CNCC2 BC682259 [0,1,0,1,0,0|2,0,0]=4 353 B11R2.20 c1cc2c(nc1)CCCC2 BC207983 [0,1,0,1,0,0|2,0,0]=4 354 B11R2.20 c1cncc2c1CCCC2 BC682234 [0,1,0,1,0,0|2,0,0]=4 355 B11R2.106 Cc1cccc2c1C=CC2 BC600102 [0,1,0,1,0,0|1,0,1]=4 356 B11R2.106 Cc1cccc2c1cc[nH]2 BC220885 [0,1,0,1,0,0|0,0,2]=4 357 B11R2.106 c1cc(c2c(c1)OCO2)N BC653970 [0,1,0,1,0,0|2,0,0]=4 358 B11R2.106 c1cc2c(c(c1)Br)CC=C2 BC600259 [0,1,0,1,0,0|1,0,1]=4 359 B11R2.106 c1cc2c(c(c1)F)CCN2 BC671227 [0,1,0,1,0,0|0,0,0]=2 360 B11R2.106 c1cc2c(cc[nH]2)c(c1)Br BC205338 [0,1,0,1,0,0|0,0,2]=4 361 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl BC215880 [0,1,0,1,0,0|0,0,2]=4 362 B11R2.106 c1cc2c(cc[nH]2)c(c1)O BC202321 [0,1,0,1,0,0|0,0,2]=4 363 B11R2.106 c1cc2c(cn[nH]2)c(c1)Br BC681123 [0,1,0,1,0,0|1,0,1]=4 364 B11R2.106 c1cc2cc[nH]c2c(c1)F BC214940 [0,1,0,1,0,0|0,0,2]=4 365 B11R2.35 c1cc(cc(c1)Cl)[C@@H]2CO2 BC220567 [0,1,0,1,0,0|1,0,0]=3 366 B11R2.1 CC1=CCc2c1cccc2 BC600789 [0,1,0,1,0,0|1,0,1]=4 367 B11R2.1 CC1C=Cc2c1cccc2 BC600788 [0,1,0,1,0,0|1,0,1]=4 368 B11R2.1 c1ccc2c(c1)CCC2=O BC210634 [0,1,0,1,0,0|1,0,0]=3 369 B11R2.1 c1ccc2c(c1)CCC2N BC228055 [0,1,0,1,0,0|0,0,0]=2 370 B11R2.1 c1ccc2c(c1)CCC2N BC653269 [0,1,0,1,0,0|0,0,0]=2 371 B11R2.1 c1ccc2c(c1)CC[C@@H]2N BC679090 [0,1,0,1,0,0|0,0,0]=2 372 B11R2.1 c1ccc2c(c1)c(c[nH]2)Br BC220142 [0,1,0,1,0,0|0,0,2]=4 373 B11R2.1 c1ccc2c(c1)c(c[nH]2)Cl BC678897 [0,1,0,1,0,0|0,0,2]=4 374 B11R2.1 c1ccc2c(c1)c(c[nH]2)O BC676558 [0,1,0,1,0,0|0,0,2]=4 375 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br BC203656 [0,1,0,1,0,0|1,0,1]=4 376 B11R2.1 c1ccc2c(c1)c(n[nH]2)I BC205463 [0,1,0,1,0,0|1,0,1]=4 377 B11R2.1 c1ccc2c(c1)c(ns2)N BC221828 [0,1,0,1,0,0|1,0,1]=4 378 B11R2.1 c1ccc2c(c1)nnn2O BC204387 [0,1,0,1,0,0|2,0,0]=4 379 B11R2.1 c1ccc2c(c1)nnn2O BC675286 [0,1,0,1,0,0|2,0,0]=4 380 B7R1.1 CCc1cccs1 BC210545 [1,0,0,0,1,0|1,0,0]=3 381 B7R1.1 c1cc([nH]c1)CN BC620340 [1,0,0,0,1,0|1,0,0]=3 382 B7R1.1 c1cscc1CN BC655305 [1,0,0,0,1,0|1,0,0]=3