0 B10R1.13 CC(=C)c1ccc(nc1)Br DA-26820 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.13 CC(=O)c1ccc(cn1)N DA-30880 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 CC(=O)c1ccc(nn1)Cl DA-43261 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.13 CC(c1ccc(cc1)Br)Cl DA-29650 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.13 CC(c1ccc(cn1)Cl)O DA-30838 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.13 CC(c1ccc(cn1)F)O DA-48370 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 CC(c1ccc(nc1)Br)O DA-30788 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.13 CS(=O)c1ccc(cc1)N DA-22158 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 Cc1ccc(cc1)S(=O)C DA-31695 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.13 Cc1ccc(nn1)C(=O)C DA-40581 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.13 Cc1cnc(cn1)C(=O)Cl DA-37121 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.1 c1c(ncc(=O)[nH]1)C=O DA-21965 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.1 c1cc(ccc1CCl)O DA-22267 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.6 C1CC(=CC=C1)C(=O)N DA-30288 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.3 C#Cc1ccc(nc1)C(=O)O DA-43497 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.3 CC(=C)c1ccc(cn1)OC DA-47451 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.3 CC(=O)c1ccc(cc1)CCl DA-29902 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.3 CC(=O)c1ccc(cc1)CO DA-31115 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.3 CC(=O)c1ccc(nc1)C=O DA-38113 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.3 CC(=O)c1ccc(nc1)NC DA-29877 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.3 CCc1ccc(nc1)C(=O)C DA-42902 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.3 CNc1ccc(nn1)C(=O)O DA-36743 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.3 COc1ccc(cn1)C(=O)Cl DA-36048 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.3 COc1ccc(nc1)C(=N)N DA-37171 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.3 COc1cnc(cn1)C(=O)N DA-43397 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.3 CS(=O)c1ccc(cc1)CCl DA-30669 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.3 CSc1cnc(cn1)C(=O)O DA-38937 [0,1,0,0,0,0|2,1,0]=4 27 B11R1.3 c1c(cnc(n1)C(=O)O)C#N DA-38903 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.3 c1cc(ccc1C#N)C(=N)N DA-39499 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.19 CC(C)(c1ccc(cc1)N)O DA-28994 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.19 CS(=O)(=O)c1ccc(cn1)O DA-41125 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.21 B(c1ccc(c(c1)O)Cl)(O)O DA-35273 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.21 CC(=O)c1ccc(c(c1)O)Br DA-31072 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.21 CC(C)c1ccc(c(c1)Cl)O DA-26563 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.21 CC(C)c1ccc(c(c1)I)O DA-26093 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.21 Cc1cc(ccc1Cl)C(=O)Cl DA-23359 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.21 Cc1cc(ccc1O)C(C)C DA-39274 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.21 Cc1cc(cnc1Br)C(=O)O DA-36413 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.21 c1c(c(cnc1C(=O)O)Br)Cl DA-37748 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)Cl DA-37714 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.21 c1c(cnc(c1F)Br)C(=O)O DA-36420 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.21 c1c(cnc(c1I)N)C(=O)O DA-36578 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.21 c1c(cnc(c1N)Cl)C(=O)O DA-38008 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.21 c1c(nc(c(n1)Cl)Cl)C(=O)O DA-38261 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.21 c1cc(c(cc1C(=O)Cl)Br)O DA-24017 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.21 c1cc(c(cc1C(=O)N)Cl)O DA-23797 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.21 c1cc(c(cc1C(=O)N)O)N DA-21337 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O DA-40560 [0,1,0,0,0,0|0,0,1]=2 48 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)I DA-26089 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.22 CNC(=O)c1ccc(cc1)Cl DA-41687 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.22 COC(=C)c1ccc(cc1)Br DA-42246 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.22 COC(=O)c1ccc(nc1)I DA-43524 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.22 COC(=O)c1ncc(cn1)F DA-47059 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.22 COC(=O)c1ncc(cn1)N DA-41536 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.22 Cc1ccc(cc1)C(=O)NN DA-39080 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.22 Cc1ccc(cn1)C(=N)NO DA-42398 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.22 Cc1ccc(cn1)C(=O)CBr DA-26943 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.22 Cc1ccc(cn1)C(=O)CBr DA-26944 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.22 Cc1ccc(nc1)C(=O)NN DA-37083 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.22 c1cc(ncc1Br)C(=O)NN DA-37648 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.22 c1cc(ncc1C(=O)CBr)N DA-30803 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.166 CS(=O)c1ccc(cc1N)Cl DA-37598 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.166 Cc1c(ccc(n1)Br)C(=O)O DA-36476 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.166 Cc1cc(=O)c(n[nH]1)C(=O)O DA-30223 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.166 Cc1cc(c(cn1)C(=O)Cl)Cl DA-39565 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.166 Cc1cc(cnc1C(=O)N)Br DA-37764 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.166 Cc1cc(cnc1C(=O)N)Cl DA-46645 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.166 Cc1cc(ncc1C(=O)O)Br DA-36426 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.166 Cc1ccc(c(c1)Br)[N+](=O)[O-] DA-26836 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.166 Cc1ccc(c(n1)C)C(=O)C DA-31522 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.166 c1c(c(=O)[nH]c(=S)[nH]1)C(=O)O DA-30402 [0,1,0,0,0,0|2,1,0]=4 71 B11R1.166 c1c(cnc(c1N)C(=O)N)Cl DA-42951 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.166 c1cc(c(cc1Cl)O)[N+](=O)[O-] DA-37554 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.166 c1cc(c(cc1O)Cl)C(=O)N DA-26570 [0,1,0,0,0,0|1,0,0]=2 74 B9R1.35 CC(=O)c1cc(sc1)Br DA-30857 [0,0,0,0,1,0|3,0,0]=4 75 B9R1.35 Cc1cc(oc1)C(=O)O DA-39140 [0,0,0,0,1,0|2,0,0]=3 76 B9R1.35 c1c([nH]c(=S)s1)C(=O)O DA-27411 [0,0,0,0,1,0|2,1,0]=4 77 B9R1.35 c1c(c[nH]c1C(=O)N)Cl DA-39743 [0,0,0,0,1,0|3,0,0]=4 78 B9R1.35 c1c(coc1C(=O)Cl)Br DA-39933 [0,0,0,0,1,0|3,0,0]=4 79 B9R1.35 c1c(coc1C(=O)N)Br DA-39932 [0,0,0,0,1,0|3,0,0]=4 80 B9R1.35 c1c(coc1C(=O)O)Cl DA-39695 [0,0,0,0,1,0|2,0,0]=3 81 B9R1.35 c1c(csc1C(=O)O)N DA-21452 [0,0,0,0,1,0|2,0,0]=3 82 B9R1.35 c1c(csc1I)C(=O)O DA-37272 [0,0,0,0,1,0|2,0,0]=3 83 B9R1.35 c1c(nc(o1)Br)C(=O)O DA-26829 [0,0,0,0,1,0|3,0,0]=4 84 B9R1.35 c1c(nc(o1)C(=O)O)Br DA-39914 [0,0,0,0,1,0|3,0,0]=4 85 B9R1.35 c1c(oc(=O)[nH]1)C(=O)O DA-27415 [0,0,0,0,1,0|2,0,1]=4 86 B9R1.35 c1c(onc1N)C(=O)O DA-24177 [0,0,0,0,1,0|3,0,0]=4 87 B11R1.20 CC(=O)Nc1ccc(=O)[nH]c1 DA-42482 [0,0,0,0,0,1|2,0,1]=4 88 B11R1.20 CC(=O)Nc1ccc(cn1)Cl DA-42408 [0,0,0,0,0,1|3,0,0]=4 89 B11R1.20 c1cc(ncc1CC(=O)N)Cl DA-27982 [0,0,0,0,0,1|3,0,0]=4 90 B11R1.20 c1cc(ncc1I)CC(=O)O DA-37279 [0,0,0,0,0,1|2,0,0]=3 91 B8R1.3 c1cc(ccc1O)O DA-33570 [2,0,0,0,0,0|0,0,0]=2 92 B10R1.1 c1cc(ncc1Br)NC=O DA-45228 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.3 CNc1ccc(cn1)C=O DA-36741 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.3 COc1ccc(cn1)C=C DA-43082 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.3 COc1ccc(nn1)C=O DA-36049 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.3 c1cc(ccc1CI)C=O DA-22187 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.3 c1cc(ncc1CO)C=O DA-38382 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.25 CCc1ccc(cc1Br)O DA-24022 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.25 CCc1ccc(cc1Cl)O DA-23800 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.25 CNc1ccc(cc1Cl)O DA-23819 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.25 Cc1cc(ccc1C=O)I DA-39309 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.25 Cc1cc(ccc1NC)O DA-23363 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.25 Cc1cc(cnc1C=O)Cl DA-37524 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.25 c1c(c(cnc1Cl)C=O)N DA-21249 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.25 c1cc(c(cc1O)F)CO DA-40007 [1,1,0,0,0,0|0,0,1]=3 106 B10R1.25 c1cc(c(cc1O)I)C#N DA-39356 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.176 C=Cc1ccc(c(c1)F)Cl DA-29552 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.176 CCc1ccc(c(c1)Br)O DA-41824 [1,1,0,0,0,0|1,0,1]=4 109 B10R1.176 Cc1c(cc(cn1)C=O)Br DA-37706 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.176 Cc1c(cc(cn1)C=O)Cl DA-37465 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.176 Cc1cc(ccc1F)CO DA-39397 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.176 Cc1cc(ccc1I)CO DA-39302 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.176 Cc1cc(ccc1O)CN DA-22359 [1,1,0,0,0,0|1,0,1]=4 114 B10R1.176 Cc1cc(cnc1C)C=O DA-38235 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.176 Cc1ccc(nc1C)C=O DA-38234 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.176 Cn1cc(ccc1=O)C=O DA-29145 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.176 c1c(cnc(c1Cl)I)C=O DA-37471 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.176 c1cc(c(cc1C=O)Br)I DA-24013 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.176 c1cc(c(cc1CN)Br)O DA-22362 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.176 c1cc(c(cc1CN)F)O DA-22360 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.176 c1cc(c(cc1CN)F)O DA-22361 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.176 c1cc(c(cc1CO)Br)I DA-24012 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.176 c1cc(c(cc1CO)Cl)I DA-23795 [1,1,0,0,0,0|1,0,1]=4 124 B10R1.176 c1cc(c(cc1CO)F)O DA-40006 [1,1,0,0,0,0|0,0,1]=3 125 B10R1.176 c1cc(c(cc1NN)Cl)O DA-26571 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.176 c1cc(c(nc1C=O)Br)O DA-36419 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.176 c1cc(c(nc1C=O)N)Br DA-36580 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.15 CC(c1ccccc1)ON DA-42022 [1,1,0,0,0,0|1,0,1]=4 129 B10R1.15 CNC(=N)c1ccccc1 DA-42718 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.15 COC(=N)c1cccnc1 DA-42038 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.61 CC(=O)c1cnccc1Br DA-31034 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.61 CS(=O)c1ccccc1N DA-27649 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.61 Cc1ccccc1C(=C)I DA-31748 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.61 Cc1cccnc1C(=O)Cl DA-23313 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.61 c1c(c(cnn1)O)C(=O)O DA-37308 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.61 c1cc(c(=O)oc1)C(=O)Cl DA-25732 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.61 c1cc(c(=O)oc1)C(=O)O DA-25731 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.113 Cc1cc(ccn1)C(=O)Cl DA-25798 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.113 Cc1ccnc(c1)C(=O)Cl DA-39066 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.113 c1c(cnnc1Cl)C(=O)O DA-36205 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.113 c1cc([nH]c(=O)c1)C(=O)Cl DA-30155 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.113 c1cnc(cc1Br)C(=O)Cl DA-39794 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.113 c1cnc(cc1C(=O)Cl)Br DA-26745 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.113 c1cnc(nc1C(=O)O)Cl DA-44173 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.113 c1coc(cc1=O)C(=O)O DA-39015 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.14 COC(=O)c1cc(sc1)I DA-32298 [0,1,0,0,1,0|2,0,0]=4 147 B10R1.14 COC(=O)c1ccc(o1)Cl DA-32329 [0,1,0,0,1,0|2,0,0]=4 148 B10R1.14 Cn1ccc(c1)C(=O)OC DA-33322 [0,1,0,0,1,0|2,0,0]=4 149 B10R1.31 c1c(coc1C=O)C(=O)O DA-37343 [0,1,0,0,1,0|1,0,1]=4 150 B10R1.31 c1cc(oc1CN)C(=O)O DA-38497 [0,1,0,0,1,0|2,0,0]=4 151 B10R1.58 Cc1c(cc([nH]1)C(=O)O)I DA-39298 [0,1,0,0,1,0|2,0,0]=4 152 B10R1.58 c1c(c(oc1C(=O)O)Cl)Cl DA-21984 [0,1,0,0,1,0|2,0,0]=4 153 B10R1.58 c1c(c(sc1C(=O)O)Br)Cl DA-37751 [0,1,0,0,1,0|2,0,0]=4 154 B10R1.58 c1c(c(sc1C(=O)O)Cl)Br DA-39853 [0,1,0,0,1,0|2,0,0]=4 155 B10R1.59 Cc1cc(sc1C(=O)O)I DA-37274 [0,1,0,0,1,0|2,0,0]=4 156 B10R1.59 c1c(c(oc1Cl)C(=O)O)Cl DA-24633 [0,1,0,0,1,0|2,0,0]=4 157 B10R1.59 c1c(c(sc1Br)Cl)C(=O)O DA-37856 [0,1,0,0,1,0|2,0,0]=4 158 B10R1.194 Cc1csc(c1Cl)C(=O)O DA-23790 [0,1,0,0,1,0|2,0,0]=4 159 B10R1.194 Cn1c(ccc1Br)C(=O)O DA-37918 [0,1,0,0,1,0|2,0,0]=4 160 B12R1.4 B(Cc1ccc(cc1)CO)(O)O DA-31989 [0,1,0,0,0,1|1,0,1]=4 161 B12R1.4 CC(=N)Nc1ccc(cc1)OC DA-44929 [0,1,0,0,0,1|2,0,0]=4 162 B12R1.19 Cc1cc(ccc1Cl)CC(=O)O DA-39637 [0,1,0,0,0,1|1,0,0]=3 163 B12R1.19 Cc1cc(ccc1N)CC(=O)O DA-21426 [0,1,0,0,0,1|1,0,0]=3 164 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)N DA-21355 [0,1,0,0,0,1|1,0,0]=3 165 B12R1.20 CC(c1ccc(cc1)N)C(=O)O DA-28321 [0,1,0,0,0,1|1,0,0]=3 166 B12R1.20 CC(c1ccc(cc1)O)C(=O)O DA-28162 [0,1,0,0,0,1|0,0,0]=2 167 B12R1.20 c1cc(ccc1C(=O)C(=O)O)Br DA-28287 [0,1,0,0,0,1|1,0,0]=3 168 B12R1.49 CNC(=O)Cc1ccc(cc1)N DA-21370 [0,1,0,0,0,1|2,0,0]=4 169 B12R1.49 COC(=O)Nc1ccc(cc1)N DA-32505 [0,1,0,0,0,1|1,0,0]=3 170 B12R1.49 COC(=O)Nc1ccc(cn1)Br DA-32345 [0,1,0,0,0,1|2,0,0]=4 171 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O DA-21511 [0,1,0,0,0,1|1,0,0]=3 172 B12R1.233 Cc1cc(ccc1CC(=O)O)Br DA-39918 [0,1,0,0,0,1|1,0,0]=3 173 B12R1.233 Cc1cc(ccc1NC(=O)C)F DA-42796 [0,1,0,0,0,1|2,0,0]=4 174 B12R1.5 CCC(=O)c1ccc(nc1)OC DA-40873 [0,2,0,0,0,0|2,0,0]=4 175 B12R1.5 CNC(=O)c1ccc(cc1)CN DA-22354 [0,2,0,0,0,0|2,0,0]=4 176 B12R1.5 CNc1ccc(cn1)C(=O)OC DA-32264 [0,2,0,0,0,0|2,0,0]=4 177 B12R1.5 COC(=O)c1ccc(cn1)C#C DA-32317 [0,2,0,0,0,0|2,0,0]=4 178 B12R1.5 COC(=O)c1ccc(nc1)C=C DA-48239 [0,2,0,0,0,0|2,0,0]=4 179 B12R1.5 COC(=O)c1cnc(cn1)CO DA-38940 [0,2,0,0,0,0|2,0,0]=4 180 B12R1.5 COc1ccc(cn1)C(=O)CBr DA-26945 [0,2,0,0,0,0|2,0,0]=4 181 B12R1.5 COc1ncc(cn1)C(=O)OC DA-32948 [0,2,0,0,0,0|2,0,0]=4 182 B12R1.5 c1cc(ccc1CO)C(=O)NN DA-22189 [0,2,0,0,0,0|1,0,0]=3 183 B12R1.48 CCn1ccc(cc1=O)C(=O)O DA-29435 [0,2,0,0,0,0|2,0,0]=4 184 B12R1.48 COc1ccc(nc1Cl)C(=O)Cl DA-36269 [0,2,0,0,0,0|2,0,0]=4 185 B12R1.48 CSc1ccc(cc1Br)C(=O)O DA-24031 [0,2,0,0,0,0|0,1,0]=3 186 B12R1.48 Cc1cc(ccc1CO)C(=O)O DA-22190 [0,2,0,0,0,0|0,0,0]=2 187 B12R1.48 Cc1cc(ccc1CO)[N+](=O)[O-] DA-25875 [0,2,0,0,0,0|1,0,1]=4 188 B12R1.48 Cc1cc(cnc1OC)C(=O)O DA-36064 [0,2,0,0,0,0|1,0,0]=3 189 B12R1.48 c1cc(c(cc1C(=O)O)F)CBr DA-22298 [0,2,0,0,0,0|1,0,0]=3 190 B12R1.48 c1cc(c(cc1[N+](=O)[O-])Br)CO DA-26831 [0,2,0,0,0,0|1,0,1]=4 191 B12R1.48 c1cc(c(cc1[N+](=O)[O-])F)CO DA-26199 [0,2,0,0,0,0|1,0,1]=4 192 B12R1.113 CC#Cc1ccc(nc1)C(=O)O DA-38349 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.113 CCOc1cnc(cn1)C(=O)O DA-38901 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.113 COCc1ccc(cn1)C(=O)O DA-36948 [0,2,0,0,0,0|1,0,0]=3 195 B12R1.113 COCc1cnc(cn1)C(=O)O DA-38371 [0,2,0,0,0,0|2,0,0]=4 196 B12R1.113 c1cc(ccc1CCCl)C(=O)Cl DA-22851 [0,2,0,0,0,0|2,0,0]=4 197 B12R1.113 c1cc(ncc1OCF)C(=O)O DA-38941 [0,2,0,0,0,0|1,0,0]=3 198 B12R1.256 B(c1ccc(cc1)C(=C)C)(O)O DA-22132 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.256 CC(C)c1ccc(nc1)C(=O)O DA-37234 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.256 CC(c1ccc(cc1)C(=O)Cl)Cl DA-23023 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.452 CC(=O)c1ccc(cc1Br)C#N DA-21505 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.452 CC(=O)c1ccc(cc1Br)OC DA-31490 [0,2,0,0,0,0|1,0,0]=3 203 B12R1.452 COc1cc(c(nc1)C(=O)O)Cl DA-46456 [0,2,0,0,0,0|1,0,0]=3 204 B12R1.452 c1cc(c(cc1C#N)N)C(=O)O DA-41800 [0,2,0,0,0,0|1,0,0]=3 205 B12R1.452 c1cc(c(cc1CO)O)C(=O)O DA-26134 [0,2,0,0,0,0|0,0,0]=2 206 B12R1.126 CS(=O)(=O)c1ccc(cc1Cl)O DA-39993 [0,2,0,0,0,0|1,0,1]=4 207 B12R1.126 Cc1cc(ccc1S(=O)(=O)C)O DA-23362 [0,2,0,0,0,0|1,0,1]=4 208 B12R1.56 CC(=O)c1ccc(c(c1)OC)Br DA-31071 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.56 CCc1cc(ccc1Br)C(=O)O DA-39881 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.56 COc1cc(ccc1I)C(=O)N DA-39304 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.56 COc1cc(ccc1I)C(=O)O DA-39303 [0,2,0,0,0,0|1,0,0]=3 212 B12R1.56 Cc1ccc(cc1C#C)C(=O)O DA-23620 [0,2,0,0,0,0|1,0,0]=3 213 B12R1.56 c1c(cnc(c1C#N)Br)C(=O)O DA-36421 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.56 c1cc(c(cc1C(=O)O)C=O)Br DA-39876 [0,2,0,0,0,0|1,0,0]=3 215 B12R1.232 Cc1cc(c(cc1I)C(=O)O)Br DA-26785 [0,2,0,0,0,0|1,0,0]=3 216 B12R1.232 c1c(c(cc(c1Br)F)Cl)C(=O)O DA-37854 [0,2,0,0,0,0|1,0,0]=3 217 B12R1.232 c1c(c(cc(c1F)Br)N)C(=O)O DA-45557 [0,2,0,0,0,0|1,0,0]=3 218 B12R1.232 c1c(c(cc(c1I)F)N)C(=O)O DA-28955 [0,2,0,0,0,0|1,0,0]=3 219 B12R1.367 C=CC(=O)c1ccc(c(c1)Cl)Cl DA-31286 [0,2,0,0,0,0|2,0,0]=4 220 B12R1.367 CNC(=O)c1ccc(c(c1)Br)O DA-24015 [0,2,0,0,0,0|1,0,0]=3 221 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F DA-23799 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.367 COC(=O)c1cc(c(=O)[nH]c1)I DA-32299 [0,2,0,0,0,0|1,0,1]=4 223 B12R1.367 COC(=O)c1cc(c(=S)[nH]c1)N DA-32364 [0,2,0,0,0,0|1,1,0]=4 224 B12R1.367 COC(=O)c1cc(c(nc1)Cl)I DA-42626 [0,2,0,0,0,0|2,0,0]=4 225 B12R1.367 COC(=O)c1cc(c(nc1)Cl)O DA-40584 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.367 COC(=O)c1cc(c(nc1)I)Br DA-32348 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.367 COC(=O)c1cc(c(nc1)N)I DA-43277 [0,2,0,0,0,0|2,0,0]=4 228 B12R1.367 COC(=O)c1ccc(c(=O)[nH]1)Br DA-32361 [0,2,0,0,0,0|2,0,0]=4 229 B12R1.367 Cc1c(cc(cn1)C(=O)OC)Br DA-32347 [0,2,0,0,0,0|2,0,0]=4 230 B12R1.367 Cc1c(cc(cn1)C(=O)OC)N DA-32365 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.367 Cc1cc(ccc1N)C(=O)NC DA-40468 [0,2,0,0,0,0|2,0,0]=4 232 B12R1.367 Cc1cc(cnc1C)C(=O)OC DA-32386 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.367 Cc1cc(ncc1C)C(=O)OC DA-32533 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.367 c1cc(c(cc1C(=O)CBr)Cl)Br DA-40997 [0,2,0,0,0,0|2,0,0]=4 235 B12R1.367 c1cc(c(cc1C(=O)CBr)F)Br DA-48434 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.893 CC(=O)c1ccc(c(c1Br)F)Cl DA-47532 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)O DA-31561 [0,2,0,0,0,0|1,0,0]=3 238 B12R1.893 CC(=O)c1ccc(c(c1O)O)I DA-31545 [0,2,0,0,0,0|2,0,0]=4 239 B12R1.893 Cc1c(c(c(cn1)C(=O)O)O)Cl DA-37513 [0,2,0,0,0,0|2,0,0]=4 240 B12R1.893 Cc1c(ccc(c1Br)C(=O)O)F DA-26847 [0,2,0,0,0,0|1,0,0]=3 241 B12R1.893 Cc1c(ccc(c1Cl)C(=O)C)Cl DA-31538 [0,2,0,0,0,0|2,0,0]=4 242 B12R1.893 Cc1c(ccc(c1N)C(=O)O)Cl DA-28956 [0,2,0,0,0,0|1,0,0]=3 243 B12R1.893 Cc1ccc(c(c1Cl)Cl)C(=O)Cl DA-27443 [0,2,0,0,0,0|2,0,0]=4 244 B12R1.893 Cc1ccc(c(c1Cl)Cl)C(=O)O DA-27444 [0,2,0,0,0,0|1,0,0]=3 245 B12R1.893 c1cc(c(c(c1C(=O)N)Br)F)Cl DA-44841 [0,2,0,0,0,0|2,0,0]=4 246 B12R1.893 c1cc(c(c(c1C(=O)O)Br)F)Cl DA-43544 [0,2,0,0,0,0|1,0,0]=3 247 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)N DA-21471 [0,2,0,0,0,0|1,0,0]=3 248 B12R1.893 c1cc(c(c(c1C(=O)O)N)F)Br DA-45149 [0,2,0,0,0,0|1,0,0]=3 249 B12R1.893 c1cc(c(c(c1C(=O)O)O)O)Br DA-39965 [0,2,0,0,0,0|1,0,0]=3 250 B12R1.1005 Cc1cc(cc(c1Br)C)C(=O)Cl DA-39896 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.1005 Cc1cc(cc(c1N)N)C(=O)O DA-24775 [0,2,0,0,0,0|1,0,0]=3 252 B12R1.1005 c1c(cc(c(c1Cl)Br)Cl)C(=O)O DA-39898 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.1005 c1c(cc(c(c1Cl)Cl)Cl)C(=O)O DA-24829 [0,2,0,0,0,0|1,0,0]=3 254 B12R1.1005 c1c(cc(c(c1Cl)O)Br)[N+](=O)[O-] DA-26757 [0,2,0,0,0,0|1,0,1]=4 255 B12R1.1005 c1c(cc(c(c1N)N)Cl)C(=O)O DA-24776 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.1005 c1c(cc(c(c1O)Cl)Cl)C(=O)O DA-24770 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)O DA-33612 [0,2,0,0,0,0|0,0,0]=2 258 B12R1.16 CCNC(=O)c1ccc(cc1)I DA-47789 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.16 CCOC(=N)c1ccc(cc1)Cl DA-33891 [0,2,0,0,0,0|2,0,0]=4 260 B12R1.16 COCC(=O)c1ccc(cc1)Br DA-40001 [0,2,0,0,0,0|1,0,0]=3 261 B12R1.1703 CCC(=O)c1ccc(cc1C)Br DA-31081 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Br DA-43569 [0,2,0,0,0,0|2,0,0]=4 263 B12R1.1703 COC(=O)c1c(cc(cn1)Br)Cl DA-32354 [0,2,0,0,0,0|2,0,0]=4 264 B12R1.1703 COC(=O)c1c(cc(cn1)O)Cl DA-46643 [0,2,0,0,0,0|1,0,0]=3 265 B12R1.1703 COC(=O)c1ccc(cc1Cl)I DA-33004 [0,2,0,0,0,0|1,0,0]=3 266 B12R1.1703 COC(=O)c1ccc(cc1F)I DA-43315 [0,2,0,0,0,0|1,0,0]=3 267 B12R1.1703 COC(=O)c1ccc(cc1N)O DA-42525 [0,2,0,0,0,0|0,0,0]=2 268 B12R1.1703 COC(=O)c1cnc(cc1N)Cl DA-46647 [0,2,0,0,0,0|2,0,0]=4 269 B12R1.1703 c1cc(c(cc1Br)O)C(=O)NO DA-39810 [0,2,0,0,0,0|1,0,0]=3 270 B12R1.1703 c1cc(c(cc1I)O)C(=O)NO DA-41774 [0,2,0,0,0,0|1,0,0]=3 271 B12R1.57 C=Cc1cc(cnc1C(=O)O)Cl DA-37533 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.57 CC(=O)c1ccc(cc1OC)Br DA-31739 [0,2,0,0,0,0|2,0,0]=4 273 B12R1.57 CCc1cc(ccc1C(=O)O)Br DA-39942 [0,2,0,0,0,0|1,0,0]=3 274 B12R1.57 CNc1cc(ccc1C(=O)O)Br DA-39973 [0,2,0,0,0,0|1,0,0]=3 275 B12R1.57 CNc1cc(ccc1C(=O)O)N DA-21478 [0,2,0,0,0,0|1,0,0]=3 276 B12R1.57 COc1cc(ccc1C(=O)Cl)Br DA-42214 [0,2,0,0,0,0|2,0,0]=4 277 B12R1.57 COc1cc(ccc1C(=O)N)Br DA-39924 [0,2,0,0,0,0|2,0,0]=4 278 B12R1.57 COc1cc(cnc1C(=O)O)Cl DA-46646 [0,2,0,0,0,0|2,0,0]=4 279 B12R1.57 Cc1ccc(c(n1)OC)C(=O)O DA-25986 [0,2,0,0,0,0|2,0,0]=4 280 B12R1.57 c1cc(c(cc1Br)C=O)C(=O)O DA-39935 [0,2,0,0,0,0|1,0,0]=3 281 B12R1.1000 Cc1cc(nc(c1C(=O)O)C)Cl DA-36969 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.1000 Cc1cc(nc(c1C(=O)O)N)C DA-48030 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.1000 c1c(c(c(nc1Cl)Cl)C(=O)O)N DA-21470 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.1000 c1c(cc(c(c1Br)C(=O)O)Br)Br DA-27538 [0,2,0,0,0,0|1,0,0]=3 285 B12R1.1000 c1c(cc(c(c1Cl)C(=O)Cl)Cl)Br DA-39957 [0,2,0,0,0,0|2,0,0]=4 286 B12R1.1000 c1c(cc(c(c1Cl)C(=O)O)Br)Cl DA-26865 [0,2,0,0,0,0|1,0,0]=3 287 B12R2.606 Cc1ccc2c(c1)oc(n2)N DA-36025 [0,0,0,1,0,1|2,0,0]=4 288 B12R2.606 c1cc2c(cc1Cl)oc(n2)Br DA-46671 [0,0,0,1,0,1|2,0,0]=4 289 B12R2.606 c1cc2c(cc1I)oc(=O)[nH]2 DA-36111 [0,0,0,1,0,1|1,0,0]=3 290 B12R2.9 COc1ccc(cc1)C2CO2 DA-28125 [0,1,0,1,0,0|1,0,1]=4 291 B12R2.612 B1(c2ccc(cc2CO1)O)O DA-30273 [0,1,0,1,0,0|1,0,1]=4 292 B12R2.612 Cc1ccc2c(=O)[nH]oc2n1 DA-35985 [0,1,0,1,0,0|2,0,0]=4 293 B12R2.612 c1c(cnc2c1OCC2=O)Cl DA-36252 [0,1,0,1,0,0|2,0,0]=4 294 B12R2.612 c1c2c(cnc1Cl)C(=O)OC2 DA-36251 [0,1,0,1,0,0|2,0,0]=4 295 B12R2.612 c1cc2c(cc1O)CNC2=O DA-43043 [0,1,0,1,0,0|1,0,0]=3 296 B12R2.2302 c1cc(ccc1C2COC2)O DA-22671 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.1 Cn1ccc(c1)C=O DA-29229 [1,0,0,0,1,0|2,0,0]=4 298 B8R1.1 c1c(c[nH]c1C=O)I DA-39315 [1,0,0,0,1,0|2,0,0]=4 299 B8R1.1 c1cc(sc1C=O)I DA-37277 [1,0,0,0,1,0|2,0,0]=4 300 B8R1.7 C1=CC(=C(Cl)Cl)C=C1 DA-36722 [1,0,0,0,1,0|2,0,0]=4 301 B10R1.18 C=C(Cc1ccccc1)Br DA-32140 [1,0,0,0,0,1|2,0,0]=4 302 B10R1.18 CC(=N)Nc1ccccc1 DA-44930 [1,0,0,0,0,1|2,0,0]=4 303 B12R1.21 CC(=O)CCc1ccc(cc1)Cl DA-22547 [0,0,0,0,0,2|2,0,0]=4 304 B12R1.21 CC(=O)NCc1ccc(cc1)Br DA-40688 [0,0,0,0,0,2|2,0,0]=4 305 B12R1.21 c1cc(ncc1CCC(=O)O)Br DA-25063 [0,0,0,0,0,2|2,0,0]=4 306 B12R1.21 c1cc(ncc1N)CCC(=O)O DA-38033 [0,0,0,0,0,2|2,0,0]=4