0 B10R1.20 CCc1ccccc1C=O LS00084 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.20 COc1c(cccn1)C=O LS21173 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.20 COc1ccccc1CCl LS10029 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.20 COc1ccccc1OC LS11385 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.20 c1ccc(c(c1)C=O)C=O LS11855 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.20 c1ccc(c(c1)CBr)C#N LS10612 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.20 c1ccc(c(c1)CCl)C#N LS11849 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.20 c1ccc(c(c1)CCl)CCl LS10651 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.15 C=Cc1ccccc1Br LS11653 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.15 C=Cc1ccccc1Cl LS11654 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.15 C=Cc1ccccc1F LS11647 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.15 CNc1ccccc1Br LS11478 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.15 CNc1ccccc1F LS10646 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.15 COc1c(cccn1)I LS20331 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.15 COc1cccnc1Br LS20368 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.15 COc1cncnc1N LS20720 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.15 CSc1ccccc1Br LS11369 [1,0,0,0,0,0|1,1,0]=3 17 B9R1.15 Cc1ccccc1C#C LS11393 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.15 Cc1ccccc1C=O LS11852 [1,0,0,0,0,0|0,0,0]=1 19 B9R1.15 Cc1ccccc1CBr LS11262 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.15 Cc1ccccc1CN LS11218 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.15 Cc1ccccc1CO LS11274 [1,0,0,0,0,0|0,0,2]=3 22 B9R1.15 Cc1ccncc1C#N LS20001 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.15 c1cc(c(nc1)C=O)O LS20166 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.15 c1cc(c(nc1)CO)O LS20165 [1,0,0,0,0,0|1,0,2]=4 25 B9R1.15 c1cc(c(nc1)Cl)C=O LS20395 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.15 c1cc(c(nc1)N)C=O LS41434 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.15 c1cc(c(nc1)O)C#N LS20339 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.15 c1cc(c(nc1)O)C=O LS21175 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.15 c1ccc(c(c1)C#N)Br LS11428 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.15 c1ccc(c(c1)C#N)O LS10639 [1,0,0,0,0,0|1,0,1]=3 31 B9R1.15 c1ccc(c(c1)C=O)N LS10114 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.15 c1ccc(c(c1)CBr)F LS11504 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.15 c1ccc(c(c1)CBr)I LS11268 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.15 c1ccc(c(c1)CN)Br LS11216 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.15 c1ccc(c(c1)CO)F LS11270 [1,0,0,0,0,0|1,0,2]=4 36 B9R1.15 c1ccc(c(c1)CO)I LS11276 [1,0,0,0,0,0|1,0,2]=4 37 B9R1.15 c1ccc(c(c1)CO)N LS10594 [1,0,0,0,0,0|1,0,2]=4 38 B9R1.15 c1ccc(c(c1)NN)Br LS11826 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.15 c1ccc(c(c1)NN)F LS11539 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.15 c1cncc(c1C=O)Br LS20109 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.37 COc1cc(ccc1C#N)Br LS10144 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.37 COc1cc(ccc1C=O)F LS10599 [0,1,0,0,0,0|0,0,0]=1 43 B11R1.37 COc1ccc(cc1C=O)Cl LS10412 [0,1,0,0,0,0|0,0,0]=1 44 B11R1.41 COc1ccccc1CCO LS11834 [0,1,0,0,0,0|0,0,2]=3 45 B11R1.53 B(c1ccccc1C=O)(O)O LS00094 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.53 B(c1ccccc1C=O)(O)O LS00094 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.53 B(c1ccccc1CC)(O)O LS10539 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.53 B(c1ccccc1OC)(O)O LS10801 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.53 B(c1ccccc1SC)(O)O LS00116 [0,1,0,0,0,0|1,1,1]=4 50 B11R1.53 B(c1cccnc1OC)(O)O LS20388 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.53 COc1ccccc1C(=O)Cl LS11458 [0,1,0,0,0,0|0,0,0]=1 52 B11R1.53 COc1ccccc1C(=O)O LS11456 [0,1,0,0,0,0|0,0,0]=1 53 B11R2.1 c1cc2c(nc1)COC2=O LS41441 [0,0,0,1,0,0|3,0,0]=4 54 B11R2.1 c1ccc2c(c1)CCC2N LS40652 [0,0,0,1,0,0|2,0,1]=4 55 B11R2.1 c1ccc2c(c1)CC[C@H]2N LS30488 [0,0,0,1,0,0|2,0,1]=4 56 B11R2.20 c1ccc2c(c1)CCCC2 LS40429 [0,0,0,1,0,0|2,0,1]=4 57 B11R2.20 c1ccc2c(c1)NCCO2 LS40407 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.2 C#Cc1ccccc1 LS10701 [2,0,0,0,0,0|1,0,1]=4 59 B8R1.2 CNc1cccnc1 LS20470 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.2 c1cc(cnc1)C=O LS20485 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.2 c1ccc(cc1)C=O LS41490 [2,0,0,0,0,0|0,0,0]=2 62 B8R1.2 c1ccc(cc1)CO LS41488 [2,0,0,0,0,0|0,0,2]=4 63 B8R1.2 c1cnccc1C=O LS20943 [2,0,0,0,0,0|1,0,0]=3 64 B8R1.5 Cc1c(cccn1)Br LS20529 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.5 Cc1c(cccn1)F LS00100 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.5 Cc1c(cccn1)O LS20321 [2,0,0,0,0,0|1,0,1]=4 67 B8R1.5 Cc1ccccc1Cl LS11417 [2,0,0,0,0,0|1,0,0]=3 68 B8R1.5 Cc1cccnc1Br LS20246 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.5 Cc1cccnc1F LS20403 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.5 Cc1cccnc1N LS20579 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.5 Cc1cccnc1O LS20286 [2,0,0,0,0,0|1,0,1]=4 72 B8R1.5 Cc1ccncc1Br LS20222 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.5 Cc1ccncc1F LS20260 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.5 Cc1ccncc1N LS20500 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.5 Cc1cnccc1Br LS20316 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.5 Cc1cnccc1Cl LS20243 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.5 Cn1ccccc1=O LS40391 [2,0,0,0,0,0|1,0,0]=3 78 B8R1.5 c1ccc(c(c1)Br)Br LS11475 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.5 c1ccc(c(c1)Br)I LS10473 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.5 c1ccc(c(c1)Cl)I LS10577 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.5 c1ccc(c(c1)N)Br LS11448 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.5 c1ccc(c(c1)N)Cl LS11568 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.5 c1ccc(c(c1)N)I LS10537 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.5 c1ccc(c(c1)O)Br LS11447 [2,0,0,0,0,0|1,0,0]=3 85 B8R1.5 c1ccc(c(c1)O)F LS10471 [2,0,0,0,0,0|1,0,0]=3 86 B8R1.5 c1ccc(c(c1)O)I LS00004 [2,0,0,0,0,0|1,0,0]=3 87 B8R1.5 c1ccn(c(=O)c1)O LS21131 [2,0,0,0,0,0|1,0,0]=3 88 B10R1.2 COc1cccc(c1Cl)N LS10071 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.2 COc1cccc(c1F)Br LS10315 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.2 Cc1c(cccc1Cl)OC LS11764 [1,1,0,0,0,0|0,0,1]=3 91 B10R1.2 Cc1c(cccc1F)C#N LS10445 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.2 Cc1c(cccc1F)C=O LS10501 [1,1,0,0,0,0|0,0,0]=2 93 B10R1.2 Cc1c(cccc1OC)N LS11795 [1,1,0,0,0,0|0,0,1]=3 94 B10R1.2 Cc1c(cccc1OC)N LS11803 [1,1,0,0,0,0|0,0,1]=3 95 B10R1.2 Cc1cccc(c1F)C=O LS10502 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.2 c1cc(c(c(c1)Br)F)C=O LS11298 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.2 c1cc(c(c(c1)Cl)F)C=O LS10517 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.2 c1cc(c(c(c1)Cl)O)C=O LS10135 [1,1,0,0,0,0|0,0,0]=2 99 B10R1.2 c1cc(c(c(c1)F)Br)C=O LS10514 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.2 c1cc(c(c(c1)F)Cl)C=O LS10544 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.2 c1cc(c(c(c1)F)F)C=O LS10508 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.2 c1cc(c(c(c1)F)I)C=O LS10507 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.2 c1cc(c(c(c1)F)O)C=O LS10305 [1,1,0,0,0,0|0,0,0]=2 104 B10R1.2 c1cc(c(c(c1)O)O)C=O LS10648 [1,1,0,0,0,0|0,0,0]=2 105 B10R1.4 C=CCc1ccccc1O LS11683 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.4 CCOc1ccccc1Br LS10370 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.4 Cc1ccccc1CCO LS11237 [1,1,0,0,0,0|0,0,2]=4 108 B10R1.4 c1ccc(c(c1)CCN)Br LS11226 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.4 c1ccc(c(c1)CCN)Cl LS11231 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.4 c1ccc(c(c1)CCO)Br LS11247 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.4 c1ccc(c(c1)CCO)F LS11240 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.25 COc1c(cc(cn1)Br)Br LS20333 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.25 COc1c(cc(cn1)Br)Cl LS00025 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.25 COc1c(cc(cn1)Br)F LS20011 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.25 COc1c(cc(cn1)Cl)Br LS20332 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.25 COc1c(cc(cn1)N)Br LS20553 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.25 COc1ccc(cc1Br)N LS10092 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.25 COc1ccc(cc1F)N LS10107 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.25 COc1ccc(cc1F)O LS10467 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.25 COc1ccc(cc1I)N LS10132 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.25 Cc1cc(ccc1C#N)Br LS10274 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.25 Cc1cc(ccc1C=O)F LS10500 [1,1,0,0,0,0|0,0,0]=2 123 B10R1.25 Cc1cc(ccc1C=O)O LS11394 [1,1,0,0,0,0|0,0,0]=2 124 B10R1.25 c1cc(c(cc1Br)F)C=O LS10657 [1,1,0,0,0,0|1,0,0]=3 125 B10R1.25 c1cc(c(cc1Br)O)C=O LS10088 [1,1,0,0,0,0|0,0,0]=2 126 B10R1.25 c1cc(c(cc1Cl)Br)C=O LS10197 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.25 c1cc(c(cc1Cl)F)C=O LS10509 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.25 c1cc(c(cc1Cl)O)C=O LS11382 [1,1,0,0,0,0|0,0,0]=2 129 B10R1.25 c1cc(c(cc1F)Br)C=O LS10393 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.25 c1cc(c(cc1F)Cl)C=O LS11829 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.25 c1cc(c(cc1F)O)C=O LS10219 [1,1,0,0,0,0|0,0,0]=2 132 B10R1.25 c1cc(c(cc1O)Cl)C=O LS11740 [1,1,0,0,0,0|1,0,0]=3 133 B10R1.30 CCc1cc(ccc1Cl)O LS10481 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.30 COc1cc(ccc1Br)Br LS10232 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.30 COc1cc(ccc1Cl)I LS10238 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.30 COc1cc(ccc1F)F LS11368 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.30 COc1cc(ccc1F)N LS10127 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.30 COc1cc(ccc1F)O LS10037 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.30 COc1cc(ccc1I)Cl LS10237 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.30 COc1cc(ccc1N)Br LS10476 [1,1,0,0,0,0|1,0,0]=3 141 B10R1.30 COc1cc(ccc1N)I LS10552 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.30 Cc1ccc(c(c1)C=O)Br LS10095 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.30 Cc1ccc(c(c1)CN)C LS10226 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.30 Cc1ccc(c(c1)OC)Br LS10017 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.30 Cc1ccc(c(n1)OC)Br LS20277 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.30 c1c(cnc(c1C=O)F)Br LS20854 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.30 c1cc(c(cc1Br)C=O)F LS10392 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.30 c1cc(c(cc1Br)C=O)O LS10727 [1,1,0,0,0,0|0,0,0]=2 149 B10R1.30 c1cc(c(cc1Cl)C=O)N LS10227 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.30 c1cc(c(cc1Cl)C=O)O LS11289 [1,1,0,0,0,0|0,0,0]=2 151 B10R1.30 c1cc(c(cc1F)C=O)Br LS10513 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.30 c1cc(c(cc1F)C=O)O LS10505 [1,1,0,0,0,0|0,0,0]=2 153 B10R1.30 c1cc(c(cc1I)C=O)O LS11783 [1,1,0,0,0,0|0,0,0]=2 154 B10R1.30 c1cc(c(cc1O)C=O)F LS10101 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.61 B(c1ccccc1C)(O)O LS10802 [1,1,0,0,0,0|1,0,1]=4 156 B10R1.61 B(c1ccccc1O)(O)O LS10799 [1,1,0,0,0,0|1,0,1]=4 157 B10R1.61 CC(=O)c1ccccc1N LS10731 [1,1,0,0,0,0|1,0,0]=3 158 B10R1.61 CC(=O)c1ccccc1O LS10607 [1,1,0,0,0,0|0,0,0]=2 159 B10R1.61 CC(=O)c1cccnc1Cl LS20570 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.61 CN(C)c1ccccc1Br LS10558 [1,1,0,0,0,0|2,0,0]=4 161 B10R1.61 CN(C)c1ccccc1Cl LS10168 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.61 CN(C)c1ccccc1F LS10242 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.61 C[C@H](c1ccccc1Cl)O LS30121 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.61 Cc1c(cccn1)C(=O)N LS20770 [1,1,0,0,0,0|1,0,0]=3 165 B10R1.61 Cc1c(cccn1)C(=O)O LS20435 [1,1,0,0,0,0|1,0,0]=3 166 B10R1.61 Cc1c(cncn1)C(=O)O LS20826 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.61 Cc1ccccc1C(=O)O LS10119 [1,1,0,0,0,0|0,0,0]=2 168 B10R1.61 Cc1cccnc1C(=O)O LS20983 [1,1,0,0,0,0|1,0,0]=3 169 B10R1.61 c1cc(c(nc1)Br)C(=O)O LS20396 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.61 c1cc(c(nc1)C(=O)O)F LS20394 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.61 c1cc(c(nc1)C(=O)O)N LS00020 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.61 c1cc(c(nc1)Cl)C(=O)O LS20665 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.61 c1cc(c(nc1)N)C(=O)O LS20530 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.61 c1cc(c(nc1)O)C(=O)O LS20423 [1,1,0,0,0,0|1,0,0]=3 175 B10R1.61 c1cc(c(nc1)S)C(=O)O LS20725 [1,1,0,0,0,0|1,1,0]=4 176 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O LS20836 [1,1,0,0,0,0|2,0,0]=4 177 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [1,1,0,0,0,0|1,0,0]=3 178 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [1,1,0,0,0,0|1,0,0]=3 179 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [1,1,0,0,0,0|1,0,0]=3 180 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [1,1,0,0,0,0|1,0,0]=3 181 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] LS11572 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br LS11477 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I LS11476 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.61 c1cnc(c(n1)C(=O)O)O LS20287 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.61 c1cncc(c1C(=O)O)Br LS20726 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.61 c1cncc(c1C(=O)O)F LS20409 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.61 c1cncc(c1C(=O)O)N LS20439 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.61 c1cncc(c1C(=O)O)O LS20035 [1,1,0,0,0,0|1,0,0]=3 189 B10R1.61 c1cncc(c1Cl)C(=O)O LS20834 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.245 COc1c(cccc1Br)Br LS11344 [1,1,0,0,0,0|1,0,0]=3 191 B10R1.245 COc1c(cccc1Br)F LS11343 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.245 COc1c(cccc1Cl)F LS10027 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.245 COc1c(cccc1F)N LS10380 [1,1,0,0,0,0|1,0,0]=3 194 B10R1.245 COc1c(cccc1I)F LS10378 [1,1,0,0,0,0|1,0,0]=3 195 B10R1.245 Cc1cccc(c1C#N)F LS10263 [1,1,0,0,0,0|1,0,1]=4 196 B10R1.245 Cc1cccc(c1CCl)C LS10100 [1,1,0,0,0,0|1,0,1]=4 197 B10R1.245 c1c(c(c(cn1)Br)C=O)Br LS21174 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.245 c1cc(c(c(c1)Br)C=O)F LS11299 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.245 c1cc(c(c(c1)Br)C=O)O LS11634 [1,1,0,0,0,0|0,0,0]=2 200 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl LS11436 [1,1,0,0,0,0|1,0,0]=3 201 B10R1.245 c1cc(c(c(c1)Cl)C=O)O LS11631 [1,1,0,0,0,0|0,0,0]=2 202 B10R1.245 c1cc(c(c(c1)F)C=O)O LS10645 [1,1,0,0,0,0|0,0,0]=2 203 B10R1.245 c1cnc(c(c1Cl)C=O)Cl LS21171 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.46 B(c1cc(ccc1OC)Cl)(O)O LS11050 [0,2,0,0,0,0|1,0,1]=4 205 B12R1.46 B(c1cc(ccc1OC)F)(O)O LS11053 [0,2,0,0,0,0|1,0,1]=4 206 B12R1.46 COc1c(cc(cn1)Br)C(=O)O LS20039 [0,2,0,0,0,0|1,0,0]=3 207 B12R1.46 COc1c(cc(cn1)Br)[N+](=O)[O-] LS20330 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.46 COc1ccc(cc1C(=O)O)Cl LS10620 [0,2,0,0,0,0|0,0,0]=2 209 B12R1.46 COc1ccc(cc1C(=O)O)F LS10409 [0,2,0,0,0,0|0,0,0]=2 210 B12R1.46 COc1ccc(cc1[N+](=O)[O-])O LS10060 [0,2,0,0,0,0|1,0,0]=3 211 B12R1.46 c1cc(c(cc1Br)[N+](=O)[O-])C=O LS10308 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.46 c1cc(c(cc1Br)[N+](=O)[O-])C=O LS11386 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.46 c1cc(c(cc1F)[N+](=O)[O-])C=O LS10117 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.57 COc1c(ccc(n1)Cl)[N+](=O)[O-] LS20716 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.57 COc1cc(ccc1C(=O)O)F LS10248 [0,2,0,0,0,0|0,0,0]=2 216 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F LS10561 [0,2,0,0,0,0|1,0,0]=3 217 B12R1.57 c1cc(c(cc1Cl)C=O)[N+](=O)[O-] LS10003 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.78 COc1ccc(cc1OC)CO LS10643 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.652 COc1ccc(c(c1C#N)F)F LS10269 [0,2,0,0,0,0|1,0,1]=4 220 B12R1.77 COC(=O)c1ccccc1CBr LS10148 [0,2,0,0,0,0|1,0,1]=4 221 B12R1.283 B(c1ccccc1OCC)(O)O LS10796 [0,2,0,0,0,0|1,0,1]=4 222 B12R1.283 CCOc1ccncc1[N+](=O)[O-] LS20117 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.87 B(c1cccc(c1C=O)F)(O)O LS11336 [0,2,0,0,0,0|2,0,0]=4 224 B12R1.87 B(c1cccc(c1OC)Br)(O)O LS11342 [0,2,0,0,0,0|1,0,1]=4 225 B12R1.87 B(c1cccc(c1OC)F)(O)O LS10421 [0,2,0,0,0,0|1,0,1]=4 226 B12R1.87 COc1c(cccc1Br)[N+](=O)[O-] LS10743 [0,2,0,0,0,0|1,0,0]=3 227 B12R1.87 c1cc(c(c(c1)Br)C=O)[N+](=O)[O-] LS10309 [0,2,0,0,0,0|2,0,0]=4 228 B12R1.261 B(c1ccccc1C(=O)C)(O)O LS10789 [0,2,0,0,0,0|2,0,0]=4 229 B12R1.261 B(c1ccccc1C(=O)O)(O)O LS10794 [0,2,0,0,0,0|2,0,0]=4 230 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] LS10730 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.261 c1ccc(c(c1)C(=O)O)I(=O)=O LS40397 [0,2,0,0,0,0|2,0,0]=4 232 B12R1.437 B(c1c(cccc1F)OC)(O)O LS10985 [0,2,0,0,0,0|1,0,1]=4 233 B12R1.437 CCc1cccc(c1C(=O)O)N LS10158 [0,2,0,0,0,0|1,0,0]=3 234 B12R1.437 Cc1cccc(c1C(=O)O)OC LS10746 [0,2,0,0,0,0|0,0,0]=2 235 B10R1.15 COC(=O)c1cccnc1 LS20584 [0,0,1,1,0,0|2,0,0]=4 236 B10R1.176 COc1ccc(c(c1)Br)Cl LS11200 [0,0,1,1,0,0|2,0,0]=4 237 B10R1.176 COc1ccc(c(c1)Br)N LS10024 [0,0,1,1,0,0|2,0,0]=4 238 B10R1.176 COc1ccc(c(c1)I)N LS10038 [0,0,1,1,0,0|2,0,0]=4 239 B10R1.176 COc1ccc(c(c1)N)Br LS11669 [0,0,1,1,0,0|2,0,0]=4 240 B10R1.176 COc1ccc(c(c1)N)F LS10016 [0,0,1,1,0,0|2,0,0]=4 241 B10R1.176 Cc1ccc(cc1C)C=O LS11363 [0,0,1,1,0,0|1,0,1]=4 242 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [1,0,0,1,0,0|1,0,0]=3 243 B10R2.7 c1ccc2c(c1)CNC2 LS40329 [1,0,0,1,0,0|1,0,1]=4 244 B10R2.7 c1ccc2c(c1)OCO2 LS10418 [1,0,0,1,0,0|0,0,1]=3 245 B10R2.7 c1ccc2c(c1)ccs2 LS40109 [1,0,0,1,0,0|0,1,1]=4 246 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [1,0,0,1,0,0|2,0,0]=4 247 B12R2.24 Cc1ccc2ccccc2n1 LS20882 [0,1,0,1,0,0|2,0,0]=4 248 B12R2.24 c1cc2c(nc1)NC(=O)CO2 LS40780 [0,1,0,1,0,0|1,0,0]=3 249 B12R2.24 c1ccc2c(c1)CCC(=O)C2 LS41173 [0,1,0,1,0,0|1,0,0]=3 250 B12R2.24 c1ccc2c(c1)NC(=O)CO2 LS40207 [0,1,0,1,0,0|0,0,0]=2 251 B12R2.612 c1cc2c(cc1Br)COC2=O LS40024 [0,1,0,1,0,0|2,0,0]=4 252 B12R2.612 c1cc2c(cc1Cl)CCC2=O LS00023 [0,1,0,1,0,0|1,0,0]=3 253 B12R2.612 c1cc2c(cc1Cl)onc2O LS40223 [0,1,0,1,0,0|1,0,1]=4 254 B12R2.612 c1cc2c(cc1F)CCC2=O LS20516 [0,1,0,1,0,0|1,0,0]=3 255 B12R2.612 c1cc2c(cc1O)CCC2=O LS40251 [0,1,0,1,0,0|1,0,0]=3 256 B12R2.612 c1cc2c(cc1O)OCC2=O LS21028 [0,1,0,1,0,0|0,0,0]=2 257 B12R2.1 c1ccc2c(c1)c(n[nH]2)C=O LS21172 [0,1,0,1,0,0|2,0,0]=4 258 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 LS21014 [0,1,0,1,0,0|1,0,1]=4 259 B12R2.315 COc1cccc2c1cc[nH]2 LS21192 [0,1,0,1,0,0|1,0,0]=3 260 B12R2.315 c1cc2cc[nH]c2c(c1)C=O LS20476 [0,1,0,1,0,0|1,0,1]=4 261 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 LS40612 [0,1,0,1,0,0|2,0,0]=4 262 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 LS41926 [0,1,0,1,0,0|2,0,0]=4 263 B12R2.2028 c1ccc2c(c1)C(OC2=O)Br LS40549 [0,1,0,1,0,0|2,0,0]=4 264 B12R2.196 c1cc2c(c(c1)O)CCC2=O LS40238 [0,1,0,1,0,0|1,0,0]=3 265 B8R1.11 Cc1ccsc1C=O LS20658 [1,0,0,0,1,0|1,0,0]=3 266 B8R1.11 Cn1c(ccn1)C=O LS20046 [1,0,0,0,1,0|2,0,0]=4