0 B11R1.166 CC(=O)c1ccc(cc1Br)Br BC220380 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.166 CC(=O)c1ccc(cc1Br)Cl BC652621 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.166 CC(=O)c1ccc(cc1Br)O BC210243 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.166 CC(=O)c1ccc(cc1Cl)Br BC200637 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.166 CC(=O)c1ccc(cc1Cl)N BC296971 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.166 CC(=O)c1ccc(cc1Cl)O BC209150 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.166 CC(=O)c1ccc(cc1Cl)O BC215805 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.166 CC(=O)c1ccc(cc1F)Br BC658892 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.166 CC(=O)c1ccc(cc1F)Cl BC686320 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.166 CC(=O)c1ccc(cc1F)F BC200226 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.166 CC(=O)c1ccc(cc1F)O BC208072 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.166 CC(=O)c1ccc(cc1O)O BC676988 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.166 Cc1cc(c(cn1)C(=O)O)O BC216112 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O BC676276 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.166 Cc1ccc(c(c1)Cl)[N+](=O)[O-] BC678588 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.166 Cc1ccc(c(c1)F)C(=O)O BC225677 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] BC206758 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.166 Cc1ccc(c(c1)N)C(=O)N BC217679 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.166 Cc1ccc(c(c1)N)C(=O)O BC225271 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.166 Cc1ccc(c(c1)O)C(=O)N BC202384 [0,0,0,0,0,0|2,0,1]=3 20 B11R1.166 Cc1ccc(c(n1)O)[N+](=O)[O-] BC208730 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.166 c1cc(c(cc1F)O)C(=O)O BC201515 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.166 c1cc(c(cc1N)O)C(=O)O BC205364 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.13 B(c1ccc(cc1)C)(O)O BC210678 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.13 CC(=O)c1ccc(cc1)Br BC227589 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.13 CC(=O)c1ccc(cc1)Cl BC676864 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.13 CC(=O)c1ccc(cc1)F BC204121 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.13 CC(=O)c1ccc(cc1)O BC675526 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.13 CC(C)c1ccc(cc1)Br BC213524 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.13 CC(C)c1ccc(cn1)N BC675244 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.13 CC(c1ccc(cc1)Br)N BC204235 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.13 C[C@@H](c1ccc(cc1)Br)N BC216482 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.13 C[C@H](c1ccc(cc1)Br)N BC678930 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.13 Cc1ccc(cc1)C(=O)O BC675261 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.13 Cc1ccc(cc1)C(C)C BC677632 [1,0,0,0,0,0|0,0,0]=1 35 B10R1.13 Cc1ccc(cc1)N(C)C BC206482 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.13 Cc1ccc(cn1)C(=O)C BC678853 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.13 Cc1ccc(cn1)C(C)O BC681105 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.25 CCc1ccc(cc1O)O BC201065 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.25 COc1ccc(cc1Br)Cl BC200800 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.25 COc1ccc(cc1Br)N BC208555 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.25 COc1ccc(cc1I)Cl BC646260 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.25 COc1ccc(cc1O)Br BC678376 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.25 Cc1cc(ccc1CN)Br BC646006 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.25 Cc1ccc(c(c1)Br)C=O BC675522 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.25 Cc1ccc(c(c1)C)NN BC227297 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.25 Cc1ccc(c(c1)Cl)C#N BC227676 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.25 Cc1ccc(c(c1)Cl)C=O BC658832 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.25 Cc1ccc(c(c1)F)C#N BC220198 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.25 Cc1ccc(c(c1)F)C=O BC211664 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.25 c1cc(c(cc1Br)F)CN BC227356 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.25 c1cc(c(cc1Br)O)C=O BC675928 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.25 c1cc(c(cc1Cl)F)CCl BC200642 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.25 c1cc(c(cc1Cl)F)CO BC226999 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.25 c1cc(c(cc1Cl)O)C=O BC676335 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.25 c1cc(c(cc1F)F)CBr BC210967 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.25 c1cc(c(cc1F)F)CN BC227346 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.25 c1cc(c(cc1F)O)C=O BC215403 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.25 c1cc(c(cc1N)O)C#N BC236841 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.25 c1cc(c(cc1O)O)C=O BC676081 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.61 CC(=O)c1ccccc1Br BC213650 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.61 CC(=O)c1ccccc1Cl BC683160 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.61 CC(=O)c1ccccc1F BC227587 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.61 CC(C)c1ccccc1Br BC213522 [1,0,0,0,0,0|1,0,0]=2 64 B10R1.61 CC(C)c1ccccc1N BC222401 [1,0,0,0,0,0|1,0,0]=2 65 B10R1.61 c1ccc(c(c1)C(=N)N)O BC224168 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.61 c1ccc(c(c1)C(=O)O)O BC221968 [1,0,0,0,0,0|2,0,1]=4 67 B12R1.126 CC(C)(C)c1ccc(cc1Br)N BC600014 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.126 CC(C)(C)c1ccc(cc1Br)N BC600030 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.232 Cc1cc(c(cc1I)C(=O)O)O BC220174 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] BC671121 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.452 Cc1cc(ccc1N(C)C)C=O BC679935 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.1000 Cc1cc(cc(c1C(=O)C)O)O BC211153 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.1703 COC(=O)c1ccc(cc1O)O BC649964 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC BC204333 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC BC220828 [0,1,0,0,0,0|1,0,1]=3 76 B12R2.612 Cc1ccc2c(c1)CCC2=O BC218986 [0,0,0,1,0,0|2,0,1]=4 77 B12R2.612 c1cc2c(cc1Br)OCC2=O BC649882 [0,0,0,1,0,0|2,0,1]=4 78 B12R2.612 c1cc2c(cc1Cl)OCC2=O BC681113 [0,0,0,1,0,0|2,0,1]=4 79 B12R2.612 c1cc2c(cc1F)CC[C@@H]2N BC687899 [0,0,0,1,0,0|3,0,0]=4 80 B12R2.612 c1cc2c(cc1F)CC[C@H]2N BC687900 [0,0,0,1,0,0|3,0,0]=4 81 B9R1.1 CNc1ccc(cc1)N BC220840 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.1 COc1ccc(cc1)Br BC676620 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.1 COc1ccc(cc1)N BC206279 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.1 Cc1ccc(cc1)C#C BC213353 [2,0,0,0,0,0|0,0,2]=4 85 B9R1.1 Cc1ccc(cc1)C#N BC676397 [2,0,0,0,0,0|1,0,1]=4 86 B9R1.1 Cc1ccc(cc1)C=O BC211019 [2,0,0,0,0,0|1,0,1]=4 87 B9R1.1 Cc1ccc(cc1)CBr BC200614 [2,0,0,0,0,0|1,0,0]=3 88 B9R1.1 Cc1ccc(cc1)CN BC211128 [2,0,0,0,0,0|1,0,0]=3 89 B9R1.1 Cc1ccc(cc1)NN BC213413 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.1 Cc1ccc(cc1)NN BC216063 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.1 Cc1ccc(cn1)OC BC224186 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.1 c1cc(ccc1CBr)Cl BC202439 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.1 c1cc(ccc1CCl)Cl BC678529 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.1 c1cc(ccc1CN)N BC676433 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.1 c1cc(ccc1CN)O BC210625 [2,0,0,0,0,0|2,0,0]=4 96 B9R1.1 c1cc(ccc1CO)I BC220492 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.1 c1cc(ccc1CO)O BC227836 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.6 CC(=O)c1ccccc1 BC206207 [2,0,0,0,0,0|1,0,1]=4 99 B9R1.6 CN(C)c1ccncc1 BC206167 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.6 CN(c1ccccc1)N BC677890 [2,0,0,0,0,0|2,0,0]=4 101 B9R1.6 C[C@@H](c1ccccc1)N BC676690 [2,0,0,0,0,0|1,0,0]=3 102 B9R1.6 C[C@H](c1ccccc1)N BC226220 [2,0,0,0,0,0|1,0,0]=3 103 B9R1.15 CC[n+]1ccccc1Br BC202357 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.15 CCc1ccccc1Br BC675847 [2,0,0,0,0,0|1,0,0]=3 105 B9R1.15 CNc1ccccc1F BC206749 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.15 c1ccc(c(c1)C#N)O BC211029 [2,0,0,0,0,0|1,0,1]=4 107 B9R1.15 c1ccc(c(c1)CBr)Cl BC226691 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.15 c1ccc(c(c1)CBr)F BC675325 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.15 c1ccc(c(c1)CN)I BC227344 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.15 c1ccc(c(c1)CO)Br BC211129 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.69 Cc1cc(c(nc1)N)O BC228725 [2,0,0,0,0,0|2,0,0]=4 112 B9R1.69 Cc1ccc(c(c1)Br)C BC202051 [2,0,0,0,0,0|1,0,0]=3 113 B9R1.69 Cc1ccc(c(c1)Br)O BC228036 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.69 Cc1ccc(c(c1)C)S BC685862 [2,0,0,0,0,0|2,0,0]=4 115 B9R1.69 Cc1ccc(c(c1)N)F BC207170 [2,0,0,0,0,0|2,0,0]=4 116 B9R1.69 Cc1ccc(c(c1)N)I BC680398 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.69 Cc1ccc(c(c1)O)O BC204625 [2,0,0,0,0,0|1,0,0]=3 118 B9R1.69 Cc1ccc(c(n1)O)Br BC208734 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.69 Cc1ccc(cc1C)Br BC201497 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.69 Cc1ccc(cc1F)Br BC227411 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.69 Cc1ccc(cc1N)Br BC211655 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.69 Cc1ccc(cc1N)F BC207142 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.69 Cc1ccc(cc1O)Cl BC683431 [2,0,0,0,0,0|1,0,0]=3 124 B9R1.69 c1cc(c(cc1Br)O)Cl BC680561 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.69 c1cc(c(cc1F)O)Br BC210242 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.69 c1cc(c(cc1F)O)N BC686429 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.69 c1cc(c(cc1F)O)O BC201436 [2,0,0,0,0,0|2,0,0]=4 128 B9R1.69 c1cc(c(cc1N)O)Cl BC677592 [2,0,0,0,0,0|2,0,0]=4 129 B9R1.69 c1cc(c(cc1N)O)O BC673428 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.69 c1cc(c(cc1O)O)Br BC210237 [2,0,0,0,0,0|2,0,0]=4 131 B11R1.3 CN(C)c1ccc(cc1)CN BC620182 [1,1,0,0,0,0|1,0,0]=3 132 B11R1.3 CN(C)c1ccc(cc1)OC BC214399 [1,1,0,0,0,0|1,0,0]=3 133 B11R1.3 C[C@H](c1ccc(cc1)OC)N BC222031 [1,1,0,0,0,0|1,0,0]=3 134 B11R1.19 CC(C)(C)c1ccc(cc1)Cl BC215389 [1,1,0,0,0,0|1,0,0]=3 135 B11R1.21 Cc1cc(ccc1Cl)[C@@H](C)N BC688026 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.22 CC(C=O)c1ccc(cc1)Cl BC681644 [1,1,0,0,0,0|1,0,1]=4 137 B11R1.22 Cc1ccc(cc1)C(=O)CN BC201176 [1,1,0,0,0,0|1,0,1]=4 138 B11R1.22 Cc1ccc(cc1)C(C)C=O BC600219 [1,1,0,0,0,0|0,0,1]=3 139 B11R1.22 c1cc(ccc1C(CBr)Br)F BC203750 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.37 COc1ccc(cc1CO)F BC679466 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.37 COc1ccc(cc1OC)S BC210353 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.37 Cc1ccc(c(c1)OC)C=O BC682025 [1,1,0,0,0,0|1,0,1]=4 143 B11R1.81 CCCc1ccc(cc1O)O BC207608 [1,1,0,0,0,0|1,0,0]=3 144 B11R1.277 Cc1cc(c(cc1Cl)OC)N BC200687 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.279 COc1ccc(cc1O)C#N BC210628 [1,1,0,0,0,0|1,0,1]=4 146 B11R1.279 COc1ccc(cc1O)C=O BC204204 [1,1,0,0,0,0|1,0,1]=4 147 B11R1.53 CN(C)c1ccccc1C=O BC689400 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.87 c1ccc(c(c1)C(F)(F)F)O BC207157 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.159 CC(=O)c1cccc(c1O)N BC216503 [1,1,0,0,0,0|1,0,1]=4 150 B11R1.159 C[C@@H](c1cccc(c1F)F)N BC256901 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.159 C[C@@H](c1cccc(c1F)F)N BC687941 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.167 CC(=O)c1cc(ccc1O)Br BC209997 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.167 Cc1ccc(c(c1)[C@H](C)N)C BC687883 [1,1,0,0,0,0|2,0,0]=4 154 B13R1.120 CC(C)c1ccc(cc1Br)C(=O)O BC687334 [0,2,0,0,0,0|1,0,1]=4 155 B11R2.36 c1cc2c(cc1Br)NCC2 BC676536 [1,0,0,1,0,0|2,0,0]=4 156 B11R2.36 c1cc2c(cc1Br)OCO2 BC210789 [1,0,0,1,0,0|2,0,0]=4 157 B11R2.1 CC1C=Cc2c1cccc2 BC600788 [1,0,0,1,0,0|1,0,1]=4 158 B11R2.1 c1ccc2c(c1)CCC2N BC228055 [1,0,0,1,0,0|2,0,0]=4 159 B11R2.1 c1ccc2c(c1)CCC2N BC653269 [1,0,0,1,0,0|2,0,0]=4 160 B11R2.1 c1ccc2c(c1)CC[C@@H]2N BC679090 [1,0,0,1,0,0|2,0,0]=4 161 B13R2.5397 Cc1cc(c2c(c1)CC(=C2)C)C BC676467 [0,0,0,1,0,1|1,0,1]=4 162 B11R1.20 CC(C)Cc1ccc(cc1)Br BC214997 [1,0,0,0,0,1|1,0,0]=3