0 B12R2.612 Cc1ccc2c(c1)CCC2=O BC218986 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.612 Cn1c2ccc(cc2cn1)N BC674825 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.612 c1cc2c(cc1Br)CCC2=O BC210245 [0,0,0,0,0,0|2,1,1]=4 3 B12R2.612 c1cc2c(cc1Br)OCC2=O BC649882 [0,0,0,0,0,0|1,1,1]=3 4 B12R2.612 c1cc2c(cc1Cl)CCC2=O BC200429 [0,0,0,0,0,0|2,0,1]=3 5 B12R2.612 c1cc2c(cc1Cl)OCC2=O BC681113 [0,0,0,0,0,0|1,0,1]=2 6 B12R2.612 c1cc2c(cc1Cl)[nH]nc2Br BC682147 [0,0,0,0,0,0|2,0,0]=2 7 B12R2.612 c1cc2c(cc1F)CCC2=O BC202173 [0,0,0,0,0,0|2,1,1]=4 8 B12R2.612 c1cc2c(cc1N)CCC2=O BC219807 [0,0,0,0,0,0|3,0,1]=4 9 B12R2.612 c1cc2c(cc1O)CCC2=O BC200684 [0,0,0,0,0,0|3,0,1]=4 10 B11R2.1 CC1=CCc2c1cccc2 BC600789 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.1 c1ccc2c(c1)C=CC2=O BC264695 [1,0,0,0,0,0|2,0,1]=4 12 B11R2.1 c1ccc2c(c1)CCC2=O BC210634 [1,0,0,0,0,0|2,0,1]=4 13 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 BC210059 [1,0,0,0,0,0|0,1,2]=4 14 B11R2.1 c1ccc2c(c1)c(c[nH]2)Br BC220142 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.1 c1ccc2c(c1)c(c[nH]2)Cl BC678897 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.1 c1ccc2c(c1)c(c[nH]2)O BC676558 [1,0,0,0,0,0|2,0,0]=3 17 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br BC203656 [1,0,0,0,0,0|2,0,0]=3 18 B11R2.1 c1ccc2c(c1)c(n[nH]2)I BC205463 [1,0,0,0,0,0|2,0,0]=3 19 B11R2.1 c1ccc2c(c1)c(ns2)Cl BC207416 [1,0,0,0,0,0|1,1,0]=3 20 B11R2.1 c1ccc2c(c1)c(ns2)N BC221828 [1,0,0,0,0,0|1,1,0]=3 21 B11R2.1 c1ccc2c(c1)nnn2O BC204387 [1,0,0,0,0,0|2,0,0]=3 22 B11R2.1 c1ccc2c(c1)nnn2O BC675286 [1,0,0,0,0,0|2,0,0]=3 23 B11R2.36 Cc1ccc2c(c1)nn[n-]2 BC210127 [1,0,0,0,0,0|3,0,0]=4 24 B11R2.36 c1cc(cc2c1cc[nH]2)Br BC207398 [1,0,0,0,0,0|2,1,0]=4 25 B11R2.36 c1cc(cc2c1cc[nH]2)F BC214939 [1,0,0,0,0,0|2,1,0]=4 26 B11R2.36 c1cc(cc2c1cc[nH]2)N BC201232 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.36 c1cc(cc2c1cc[nH]2)O BC213327 [1,0,0,0,0,0|3,0,0]=4 28 B11R2.36 c1cc(nc2c1cn[nH]2)Cl BC681968 [1,0,0,0,0,0|2,0,0]=3 29 B11R2.36 c1cc2c(cc1Br)OCO2 BC210789 [1,0,0,0,0,0|2,1,0]=4 30 B11R2.36 c1cc2c(cc1Br)cn[nH]2 BC205731 [1,0,0,0,0,0|2,1,0]=4 31 B11R2.36 c1cc2c(cc1Cl)scn2 BC274637 [1,0,0,0,0,0|2,1,0]=4 32 B11R2.36 c1cc2c(cc1F)cn[nH]2 BC682098 [1,0,0,0,0,0|2,1,0]=4 33 B11R2.36 c1cc2c(cc1I)cn[nH]2 BC657844 [1,0,0,0,0,0|2,1,0]=4 34 B11R2.36 c1cc2c(cc1N)cn[nH]2 BC207407 [1,0,0,0,0,0|3,0,0]=4 35 B11R2.36 c1cc2c(cc1O)cn[nH]2 BC225431 [1,0,0,0,0,0|3,0,0]=4 36 B11R2.36 c1cc2cn[nH]c2cc1Br BC203592 [1,0,0,0,0,0|1,1,0]=3 37 B11R2.36 c1cc2cn[nH]c2cc1F BC682097 [1,0,0,0,0,0|1,1,0]=3 38 B11R2.36 c1cc2cn[nH]c2cc1I BC244510 [1,0,0,0,0,0|1,1,0]=3 39 B11R2.36 c1cc2cn[nH]c2cc1N BC207405 [1,0,0,0,0,0|2,0,0]=3 40 B13R2.662 CCc1c2ccc(cc2[nH]n1)Br BC682088 [0,1,0,0,0,0|2,1,0]=4 41 B13R2.662 c1cc2c(cc1Cl)[nH]cc2C=O BC213339 [0,1,0,0,0,0|2,0,1]=4 42 B13R2.2130 COc1ccc2c(c1)[nH]nc2O BC600083 [0,1,0,0,0,0|2,0,0]=3 43 B13R2.5187 Cn1c2c(ccc(n2)Cl)c(n1)N BC679845 [0,1,0,0,0,0|3,0,0]=4 44 B13R2.5190 c1cc2c(cc1Cl)NC(=O)C2=O BC210769 [0,1,0,0,0,0|2,0,1]=4 45 B13R2.11634 c1c2c(cc(c1Cl)Cl)C(=O)CC2 BC218977 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.22 c1cc(ccc1C(=O)CN)Cl BC201170 [0,0,1,0,0,0|2,0,1]=4 47 B11R1.37 COc1cc(ccc1C=O)F BC227711 [0,0,1,0,0,0|1,1,1]=4 48 B11R1.37 Cc1ccc(c(c1)OC)C=O BC682025 [0,0,1,0,0,0|2,0,1]=4 49 B11R1.166 B(c1ccc(cc1F)Cl)(O)O BC250589 [0,0,1,0,0,0|3,0,0]=4 50 B11R1.166 CC(=O)c1ccc(cc1Br)Cl BC652621 [0,0,1,0,0,0|2,0,1]=4 51 B11R1.166 CC(=O)c1ccc(cc1F)Cl BC686320 [0,0,1,0,0,0|2,0,1]=4 52 B11R1.166 CC(=O)c1ccc(cc1O)O BC676988 [0,0,1,0,0,0|2,0,1]=4 53 B11R1.166 Cc1cc(c(cn1)C(=O)O)O BC216112 [0,0,1,0,0,0|3,0,0]=4 54 B11R1.166 Cc1cc(ccc1C(=O)O)Cl BC227504 [0,0,1,0,0,0|2,0,0]=3 55 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O BC676276 [0,0,1,0,0,0|3,0,0]=4 56 B11R1.166 Cc1ccc(c(c1)F)C(=O)O BC225677 [0,0,1,0,0,0|3,0,0]=4 57 B11R1.166 Cc1ccc(c(c1)N)C(=O)O BC225271 [0,0,1,0,0,0|3,0,0]=4 58 B11R1.166 Cc1ccc(c(c1)O)C(=O)N BC202384 [0,0,1,0,0,0|1,0,2]=4 59 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl BC201303 [0,0,1,0,0,0|3,0,0]=4 60 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl BC220335 [0,0,1,0,0,0|3,0,0]=4 61 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O BC676270 [0,0,1,0,0,0|2,1,0]=4 62 B11R1.166 c1cc(c(cc1Br)F)C(=O)O BC206179 [0,0,1,0,0,0|2,1,0]=4 63 B11R1.166 c1cc(c(cc1Br)N)C(=O)O BC227467 [0,0,1,0,0,0|2,1,0]=4 64 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O BC210276 [0,0,1,0,0,0|2,0,0]=3 65 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N BC620183 [0,0,1,0,0,0|1,0,2]=4 66 B11R1.166 c1cc(c(cc1F)Br)C(=O)O BC206177 [0,0,1,0,0,0|2,1,0]=4 67 B11R1.166 c1cc(c(cc1F)N)C(=O)O BC204309 [0,0,1,0,0,0|2,1,0]=4 68 B11R1.166 c1cc(c(cc1F)O)C(=O)O BC201515 [0,0,1,0,0,0|1,1,0]=3 69 B11R1.166 c1cc(c(cc1N)F)C(=O)O BC210195 [0,0,1,0,0,0|3,0,0]=4 70 B11R1.166 c1cc(c(cc1N)O)C(=O)O BC205364 [0,0,1,0,0,0|2,0,0]=3 71 B11R1.166 c1cc(c(cc1O)Cl)C(=O)O BC219622 [0,0,1,0,0,0|3,0,0]=4 72 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl BC218961 [0,0,1,0,0,0|3,0,0]=4 73 B13R2.3683 c1cc(cc2c1cc(cc2)O)O BC205136 [0,0,0,0,0,1|3,0,0]=4 74 B13R2.3683 c1cc(cc2c1cc(nn2)Br)Cl BC682165 [0,0,0,0,0,1|2,0,0]=3 75 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)Br BC682149 [0,0,0,0,0,1|3,0,0]=4 76 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)Cl BC202862 [0,0,0,0,0,1|3,0,0]=4 77 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl BC682146 [0,0,0,0,0,1|2,1,0]=4 78 B13R2.3683 c1cc2c(cc1Br)cnc(n2)N BC208171 [0,0,0,0,0,1|2,1,0]=4 79 B13R2.3683 c1cc2c(cc1Br)cnc(n2)N BC681081 [0,0,0,0,0,1|2,1,0]=4 80 B13R2.3683 c1cc2c(cc1Cl)ncc(n2)O BC202271 [0,0,0,0,0,1|2,0,0]=3 81 B13R2.5179 c1cc2c(cc1Br)ncnc2Cl BC682117 [0,0,0,0,0,1|2,1,0]=4 82 B13R2.5179 c1cc2c(cc1Cl)CCCC2=O BC216116 [0,0,0,0,0,1|2,0,1]=4 83 B13R2.5179 c1cc2cc(ccc2c(c1)O)O BC204477 [0,0,0,0,0,1|3,0,0]=4 84 B10R1.1 c1cc(ccc1\C=N\O)F BC684728 [1,0,1,0,0,0|0,1,0]=3 85 B10R1.13 B(c1ccc(cc1)Br)(O)O BC685826 [1,0,1,0,0,0|1,1,0]=4 86 B10R1.13 B(c1ccc(cc1)C)(O)O BC210678 [1,0,1,0,0,0|2,0,0]=4 87 B10R1.13 B(c1ccc(cc1)Cl)(O)O BC677573 [1,0,1,0,0,0|1,0,0]=3 88 B10R1.13 B(c1ccc(cc1)F)(O)O BC227618 [1,0,1,0,0,0|1,1,0]=4 89 B10R1.13 CC(=O)c1ccc(cc1)Cl BC676864 [1,0,1,0,0,0|1,0,1]=4 90 B10R1.13 Cc1ccc(cc1)C(=O)O BC675261 [1,0,1,0,0,0|1,0,1]=4 91 B10R1.13 c1cc(ccc1C(=N)N)N BC213772 [1,0,1,0,0,0|2,0,0]=4 92 B10R1.13 c1cc(ccc1C(=N)N)O BC223815 [1,0,1,0,0,0|2,0,0]=4 93 B10R1.13 c1cc(ccc1C(=O)O)I BC210636 [1,0,1,0,0,0|0,1,1]=4 94 B10R1.13 c1cc(ccc1C(=O)O)N BC227499 [1,0,1,0,0,0|1,0,1]=4 95 B10R1.13 c1cc(ccc1C(=O)O)O BC228180 [1,0,1,0,0,0|1,0,1]=4 96 B10R1.13 c1cc(ncc1Cl)C(=O)O BC224603 [1,0,1,0,0,0|1,0,1]=4 97 B10R1.17 c1ccc(cc1)OCCO BC208517 [1,0,1,0,0,0|1,0,1]=4 98 B10R1.25 c1cc(c(cc1Br)O)C=O BC675928 [1,0,1,0,0,0|0,1,1]=4 99 B10R1.25 c1cc(c(cc1Cl)Br)C=O BC658860 [1,0,1,0,0,0|1,0,1]=4 100 B10R1.25 c1cc(c(cc1Cl)F)CO BC226999 [1,0,1,0,0,0|1,0,1]=4 101 B10R1.25 c1cc(c(cc1Cl)O)C=O BC676335 [1,0,1,0,0,0|0,0,1]=3 102 B10R1.25 c1cc(c(cc1F)O)C=O BC215403 [1,0,1,0,0,0|0,1,1]=4 103 B10R1.25 c1cc(c(cc1O)O)C=O BC676081 [1,0,1,0,0,0|1,0,1]=4 104 B10R1.30 COc1cc(ccc1Br)Cl BC689392 [1,0,1,0,0,0|2,0,0]=4 105 B10R1.30 COc1cc(ccc1O)O BC222291 [1,0,1,0,0,0|2,0,0]=4 106 B10R1.61 Cc1ccccc1C(=O)O BC675262 [1,0,1,0,0,0|2,0,0]=4 107 B10R1.61 c1cc(c(nc1)C(=O)O)O BC210633 [1,0,1,0,0,0|2,0,0]=4 108 B10R1.61 c1ccc(c(c1)C(=N)N)O BC224168 [1,0,1,0,0,0|1,0,0]=3 109 B10R1.61 c1ccc(c(c1)C(=O)O)O BC221968 [1,0,1,0,0,0|1,0,0]=3 110 B10R1.61 c1cncc(c1O)C(=O)O BC222453 [1,0,1,0,0,0|2,0,0]=4 111 B10R2.7 c1ccc2c(c1)CC=C2 BC218987 [2,0,0,0,0,0|2,0,0]=4 112 B10R2.7 c1ccc2c(c1)CCO2 BC207982 [2,0,0,0,0,0|1,0,1]=4 113 B10R2.7 c1ccc2c(c1)[nH]nn2 BC227994 [2,0,0,0,0,0|2,0,0]=4 114 B10R2.7 c1ccc2c(c1)cn[nH]2 BC226232 [2,0,0,0,0,0|1,0,0]=3 115 B10R2.7 c1ccc2c(c1)nco2 BC200554 [2,0,0,0,0,0|2,0,0]=4 116 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl BC215712 [0,1,1,0,0,0|1,0,1]=4 117 B12R1.1703 c1cc(c(cc1Cl)Cl)\C(=N\O)\N BC256318 [0,1,1,0,0,0|1,0,0]=3 118 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O BC687795 [0,1,1,0,0,0|2,0,0]=4 119 B12R1.57 B(c1ccc(cc1OC)Cl)(O)O BC210287 [0,1,1,0,0,0|2,0,0]=4 120 B12R1.57 COc1cc(ccc1C(=O)O)O BC205210 [0,1,1,0,0,0|2,0,0]=4 121 B12R1.57 c1cc(c(cc1Cl)NN)C(=O)O BC646048 [0,1,1,0,0,0|1,0,1]=4 122 B12R1.232 Cc1cc(c(cc1I)C(=O)O)O BC220174 [0,1,1,0,0,0|2,0,0]=4 123 B12R1.232 c1c(c(cc(c1Cl)Cl)F)C(=O)O BC227472 [0,1,1,0,0,0|2,0,0]=4 124 B12R1.232 c1c(c(cc(c1Cl)Cl)N)C(=O)O BC676485 [0,1,1,0,0,0|2,0,0]=4 125 B12R1.1000 B(c1c(cc(cc1O)Cl)C)(O)O BC620158 [0,1,1,0,0,0|2,0,0]=4 126 B12R1.1000 c1c(cc(c(c1Cl)C(=O)O)Cl)Cl BC678272 [0,1,1,0,0,0|2,0,0]=4 127 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO BC226969 [1,1,0,0,0,0|2,0,0]=4 128 B12R2.1 c1ccc2c(c1)c(n[nH]2)C=O BC205422 [1,1,0,0,0,0|1,0,1]=4 129 B12R2.132 Cc1c2cc(ccc2[nH]n1)O BC649960 [1,1,0,0,0,0|2,0,0]=4 130 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)N BC210277 [1,1,0,0,0,0|2,0,0]=4 131 B12R2.196 Cc1c2cccc(c2[nH]n1)O BC649961 [1,1,0,0,0,0|2,0,0]=4 132 B12R2.203 c1cc2c(c(c1)Cl)c(n[nH]2)N BC280504 [1,1,0,0,0,0|2,0,0]=4 133 B12R2.203 c1cc2c(c(c1)I)c(n[nH]2)N BC655431 [1,1,0,0,0,0|2,0,0]=4 134 B12R2.44 c1cc2cn[nH]c2cc1C#N BC210281 [1,1,0,0,0,0|2,0,0]=4 135 B12R2.100 Cc1cc2c(cc1Br)cn[nH]2 BC257480 [1,1,0,0,0,0|2,0,0]=4 136 B12R2.100 Cc1cc2cn[nH]c2cc1Br BC257479 [1,1,0,0,0,0|1,1,0]=4 137 B12R2.100 c1c2cn[nH]c2cc(c1Br)Cl BC600287 [1,1,0,0,0,0|1,0,0]=3 138 B12R2.100 c1c2cn[nH]c2cc(c1N)F BC659276 [1,1,0,0,0,0|1,1,0]=4 139 B12R2.100 c1c2cn[nH]c2cc(c1O)Cl BC600285 [1,1,0,0,0,0|1,0,0]=3 140 B12R2.100 c1c[nH]c2c1cc(c(c2)Cl)Br BC258470 [1,1,0,0,0,0|2,0,0]=4 141 B12R2.100 c1c[nH]c2c1cc(c(c2)Cl)F BC675679 [1,1,0,0,0,0|2,0,0]=4 142 B12R2.246 c1c(cc(c2c1[nH]nc2)Cl)Br BC257477 [1,1,0,0,0,0|1,1,0]=4 143 B12R2.246 c1c(cc(c2c1[nH]nc2)I)Br BC637649 [1,1,0,0,0,0|1,1,0]=4 144 B12R2.246 c1c(cc2c(c1N)cn[nH]2)Br BC208217 [1,1,0,0,0,0|1,1,0]=4 145 B12R2.246 c1c(cc2c(c1N)cn[nH]2)Cl BC600092 [1,1,0,0,0,0|1,0,0]=3 146 B12R2.606 c1cc2c(cc1Cl)oc(n2)Cl BC210022 [1,1,0,0,0,0|2,0,0]=4 147 B12R2.606 c1cc2c(cc1Cl)oc(n2)S BC202290 [1,1,0,0,0,0|2,0,0]=4 148 B14R2.8235 c1cc2c(cc1Cl)c(nc(n2)Cl)Cl BC242971 [0,1,0,0,0,1|2,0,0]=4 149 B14R2.8235 c1cc2c(cc1Cl)c(nc(n2)Cl)Cl BC645591 [0,1,0,0,0,1|2,0,0]=4 150 B14R2.1801 COc1ccc2c(c1)ccnc2O BC653001 [0,1,0,0,0,1|2,0,0]=4 151 B14R2.300 c1cc2c(cc1Br)[nH]nc2C(=O)O BC206288 [0,2,0,0,0,0|1,1,0]=4 152 B12R2.24 c1cc(cc2c1ccnc2)Cl BC653667 [0,0,1,1,0,0|2,0,0]=4 153 B10R2.320 c1ccc2c(c1)CC2=O BC225121 [1,0,0,0,1,0|1,0,1]=4 154 B12R1.233 c1cc(c(cc1Cl)Br)CC(=O)O BC219230 [0,0,1,0,0,1|2,0,0]=4 155 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)O BC678373 [0,0,1,0,0,1|2,0,0]=4