0 B11R1.83 CCc1ccc(nc1)CCO BC207828 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.83 CNCc1ccc(cc1)OC BC645310 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.83 COCc1ccc(cc1)OC BC620665 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.83 c1cc(ccc1CCN)C#N BC200242 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.83 c1cc(ccc1CCN)C#N BC681147 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.1 COCc1ccc(cc1)O BC674868 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.1 Cc1ccc(cc1)CC#N BC205621 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.1 c1cc(ccc1CC#N)Br BC227508 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.1 c1cc(ccc1CC#N)N BC676372 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.1 c1cc(ccc1CCBr)Cl BC658954 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.1 c1cc(ccc1CCN)Br BC205235 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.1 c1cc(ccc1CCO)Br BC646236 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.1 c1cc(ccc1CCO)O BC676907 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.3 C#Cc1ccc(cc1)CO BC686208 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.3 C=Cc1ccc(cc1)CCl BC214833 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.3 C=Cc1ccc(cc1)CO BC221109 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.3 COc1ccc(cc1)C#C BC215299 [1,0,0,0,0,0|0,0,2]=3 17 B10R1.3 COc1ccc(cc1)CCl BC676749 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.3 COc1ccc(cc1)CN BC208901 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.3 COc1ccc(cc1)CS BC208815 [1,0,0,0,0,0|1,0,0]=2 20 B10R1.3 COc1ccc(cc1)NN BC206166 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.3 COc1ccc(cc1)[Mg]Br BC653679 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.3 COc1ccc(cn1)NN BC675241 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.3 COc1ncc(cn1)C=O BC200326 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.3 c1cc(ccc1C=O)C#N BC209249 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.3 c1cc(ccc1CBr)C#N BC201242 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.3 c1cc(ccc1CCl)C#N BC202327 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.3 c1cc(ccc1CN)C#N BC676381 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.3 c1cc(ccc1CO)CCl BC217419 [1,0,0,0,0,0|3,0,0]=4 29 B12R1.4 CC(=O)Cc1ccc(cc1)OC BC204252 [0,1,0,0,0,0|0,0,1]=2 30 B12R1.4 COc1ccc(cc1)CC(=O)O BC675206 [0,1,0,0,0,0|1,0,0]=2 31 B12R1.4 c1cc(ccc1CC(=O)O)C#N BC228621 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.4 c1cc(ccc1CC(=O)O)CBr BC219001 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.4 c1cc(ccc1CC(=O)O)CCl BC211066 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.4 c1cc(ccc1CC(=O)O)CN BC295594 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.4 c1cc(ccc1CC(=O)O)CN BC656149 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.5 COc1ccc(cc1)C(=O)CCl BC220494 [0,1,0,0,0,0|1,0,2]=4 37 B12R1.5 COc1ccc(cc1)C(=O)CN BC201177 [0,1,0,0,0,0|1,0,2]=4 38 B12R1.71 COCCc1ccc(cc1)OC BC600844 [0,1,0,0,0,0|0,0,2]=3 39 B12R1.71 COc1ccc(cc1)OCCO BC689549 [0,1,0,0,0,0|1,0,1]=3 40 B12R1.114 COc1ccc(c(c1)Cl)CCN BC217283 [0,1,0,0,0,0|1,0,1]=3 41 B12R1.288 COc1ccc(cc1F)CC#N BC210982 [0,1,0,0,0,0|1,0,1]=3 42 B12R2.44 COc1cc2cc[nH]c2nc1 BC256570 [0,0,0,1,0,0|2,0,0]=3 43 B12R2.44 COc1ccc2c(c1)CCN2 BC207896 [0,0,0,1,0,0|1,0,2]=4 44 B12R2.44 COc1ccc2c(c1)cc[nH]2 BC200872 [0,0,0,1,0,0|1,0,0]=2 45 B12R2.44 COc1ccc2c(c1)cn[nH]2 BC210283 [0,0,0,1,0,0|2,0,0]=3 46 B12R2.44 COc1ccc2c(n1)cc[nH]2 BC641859 [0,0,0,1,0,0|2,0,0]=3 47 B12R2.44 COc1ccc2cc[nH]c2c1 BC208019 [0,0,0,1,0,0|1,0,1]=3 48 B12R2.44 CSc1ccc2c(c1)cc[nH]2 BC677373 [0,0,0,1,0,0|1,1,0]=3 49 B12R2.44 c1cc2c(cc[nH]2)cc1CO BC675700 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.1 C#Cc1ccc(cc1)O BC671095 [2,0,0,0,0,0|0,0,2]=4 51 B9R1.1 C=Cc1ccc(cc1)F BC227580 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.1 CNc1ccc(cc1)N BC220840 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.1 COc1cc[n+](cc1)[O-] BC209280 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.1 COc1ccc(cc1)Br BC676620 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.1 COc1ccc(cc1)N BC206279 [2,0,0,0,0,0|1,0,0]=3 56 B9R1.1 COc1ccc(cn1)F BC208854 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.1 COc1ccc(cn1)I BC228888 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.1 COc1ccc(cn1)N BC204592 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.1 COc1ccc(cn1)O BC678852 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.1 Cc1ccc(cc1)C#C BC213353 [2,0,0,0,0,0|0,0,2]=4 61 B9R1.1 Cc1ccc(cc1)C#N BC676397 [2,0,0,0,0,0|1,0,1]=4 62 B9R1.1 Cc1ccc(cc1)C=O BC211019 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.1 Cc1ccc(cc1)CBr BC200614 [2,0,0,0,0,0|1,0,0]=3 64 B9R1.1 Cc1ccc(cc1)CN BC211128 [2,0,0,0,0,0|1,0,0]=3 65 B9R1.1 Cc1ccc(cc1)NN BC213413 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.1 Cc1ccc(cc1)NN BC216063 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.1 Cc1ccc(cn1)C=C BC219567 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.1 Cc1ccc(cn1)OC BC224186 [2,0,0,0,0,0|1,0,0]=3 69 B9R1.1 Cc1ccc(nc1)C=C BC211746 [2,0,0,0,0,0|1,0,0]=3 70 B9R1.1 Cc1ccc(nc1)C=O BC207526 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.1 c1cc(ccc1C=O)Br BC213531 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.1 c1cc(ccc1C=O)N BC204291 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.1 c1cc(ccc1C=O)O BC227835 [2,0,0,0,0,0|1,0,0]=3 74 B9R1.1 c1cc(ccc1CBr)Cl BC202439 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.1 c1cc(ccc1CCl)Cl BC678529 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.1 c1cc(ccc1CN)N BC676433 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.1 c1cc(ccc1CN)O BC210625 [2,0,0,0,0,0|1,0,0]=3 78 B9R1.1 c1cc(ccc1CO)I BC220492 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.1 c1cc(ccc1CO)O BC227836 [2,0,0,0,0,0|1,0,0]=3 80 B9R1.1 c1cc(ncc1C=O)O BC650796 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.1 c1cc(ncc1CO)O BC228000 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.8 c1ccc(cc1)CC=O BC250050 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.8 c1ccc(cc1)CCBr BC203736 [2,0,0,0,0,0|1,0,1]=4 84 B9R1.8 c1ccc(cc1)CCO BC213746 [2,0,0,0,0,0|1,0,1]=4 85 B9R1.8 c1ccc(cc1)CNN BC652179 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.8 c1ccc(cc1)CNN BC676720 [2,0,0,0,0,0|2,0,0]=4 87 B11R1.20 CC(=O)Cc1ccc(cc1)O BC211152 [1,1,0,0,0,0|0,0,1]=3 88 B11R1.20 CC(=O)Nc1ccc(cc1)O BC204766 [1,1,0,0,0,0|1,0,1]=4 89 B11R1.20 c1cc(ccc1CC(=O)O)Br BC203407 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.20 c1cc(ccc1CC(=O)O)O BC228201 [1,1,0,0,0,0|1,0,0]=3 91 B11R1.22 CC(C=O)c1ccc(cc1)Cl BC681644 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.22 Cc1ccc(cc1)C(C)C=O BC600219 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.81 CCCc1ccc(cc1O)O BC207608 [1,1,0,0,0,0|0,0,2]=4 94 B11R1.192 c1cc(c(cc1CCN)O)O BC650941 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.3 B(c1ccc(cc1)OC)(O)O BC298193 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.3 C=Cc1ccc(cc1)C(=O)O BC685896 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.3 CCc1ccc(cc1)C(=O)O BC250059 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.3 CN(C)c1ccc(cc1)CN BC620182 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.3 CN(C)c1ccc(cc1)OC BC214399 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.3 CNc1ccc(cc1)C(=O)O BC214404 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.3 COc1ccc(cn1)C(=O)O BC681662 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.3 COc1ccc(nc1)C(=O)O BC650815 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.3 C[C@H](c1ccc(cc1)OC)N BC222031 [1,1,0,0,0,0|0,0,1]=3 104 B11R1.279 COc1ccc(c(c1)Cl)C=O BC297603 [1,1,0,0,0,0|1,0,0]=3 105 B11R1.279 COc1ccc(cc1F)C=O BC207248 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.279 COc1ccc(cc1O)C#N BC210628 [1,1,0,0,0,0|1,0,1]=4 107 B11R1.279 COc1ccc(cc1O)C=O BC204204 [1,1,0,0,0,0|1,0,0]=3 108 B13R1.35 COc1ccc(cc1O)CC(=O)O BC676490 [0,2,0,0,0,0|1,0,0]=3 109 B13R1.36 COc1ccc(cc1)C(C(=O)O)N BC203524 [0,2,0,0,0,0|1,0,0]=3 110 B13R1.36 COc1ccc(cc1)C(C(=O)O)O BC215716 [0,2,0,0,0,0|1,0,0]=3 111 B13R1.142 COCc1ccc(cc1)CC(=O)O BC256311 [0,2,0,0,0,0|1,0,0]=3 112 B13R1.653 COc1ccc(c(c1)Br)CC(=O)O BC676489 [0,2,0,0,0,0|1,0,0]=3 113 B13R1.39 COc1ccc(cc1)C(C=O)C=O BC651644 [0,2,0,0,0,0|1,0,0]=3 114 B13R1.139 COC(=O)c1ccc(cc1)CC=O BC253937 [0,2,0,0,0,0|1,0,0]=3 115 B13R1.452 COc1ccc(cc1)C(=O)CCCl BC200635 [0,2,0,0,0,0|1,0,1]=4 116 B13R1.3 COc1ccc(cc1)\C=C\C(=O)Cl BC222508 [0,2,0,0,0,0|0,0,1]=3 117 B13R1.3 COc1ccc(cc1)\C=C\C(=O)Cl BC600137 [0,2,0,0,0,0|0,0,1]=3 118 B13R1.74 CN(C)c1ccc(cc1)\C=C\C=O BC650736 [0,2,0,0,0,0|1,0,1]=4 119 B13R1.371 COc1ccc(cc1)CCCCO BC226685 [0,2,0,0,0,0|0,0,2]=4 120 B13R1.386 COc1ccc(cc1OC)CCO BC208318 [0,2,0,0,0,0|1,0,1]=4 121 B11R2.36 c1cc(cc2c1cc[nH]2)O BC213327 [1,0,0,1,0,0|1,0,1]=4 122 B11R2.36 c1cc2c(cc1O)cn[nH]2 BC225431 [1,0,0,1,0,0|2,0,0]=4 123 B11R2.36 c1cc2c(cc[nH]2)cc1Br BC200873 [1,0,0,1,0,0|2,0,0]=4 124 B11R2.36 c1cc2c(cc[nH]2)cc1F BC200753 [1,0,0,1,0,0|2,0,0]=4 125 B11R2.36 c1cc2c(cc[nH]2)cc1N BC204540 [1,0,0,1,0,0|2,0,0]=4 126 B11R2.36 c1cc2c(cc[nH]2)cc1O BC201869 [1,0,0,1,0,0|1,0,0]=3 127 B11R2.36 c1cc2c(cco2)cc1Br BC677388 [1,0,0,1,0,0|2,0,0]=4 128 B11R2.36 c1cc2c(ccs2)cc1Br BC222298 [1,0,0,1,0,0|2,0,0]=4 129 B11R2.190 C=Cc1ccc2c(c1)CC2 BC225114 [1,0,0,1,0,0|1,0,0]=3 130 B11R2.190 c1cc2c(cc1CO)CC2 BC225116 [1,0,0,1,0,0|2,0,0]=4 131 B13R2.2121 COc1ccc2c(c1)CC(=O)N2 BC223723 [0,1,0,1,0,0|1,0,1]=4 132 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 BC676537 [0,1,0,1,0,0|1,0,0]=3 133 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC BC675663 [0,1,0,1,0,0|1,0,0]=3 134 B13R2.2130 Cn1ccc2c1ccc(c2)OC BC215322 [0,1,0,1,0,0|1,0,0]=3 135 B13R2.57 COc1ccc2ccccc2n1 BC262285 [0,1,0,1,0,0|1,0,1]=4 136 B13R2.57 COc1ccc2ccncc2c1 BC213978 [0,1,0,1,0,0|0,0,1]=3 137 B13R2.669 COc1cc2c(c[nH]c2nc1)Br BC639711 [0,1,0,1,0,0|2,0,0]=4 138 B13R2.669 COc1ccc2c(c1)C(=O)CC2 BC205708 [0,1,0,1,0,0|0,0,1]=3 139 B13R2.669 COc1ccc2c(n1)c(c[nH]2)I BC641860 [0,1,0,1,0,0|2,0,0]=4 140 B13R2.430 CC(=O)c1ccc2c(c1)cc[nH]2 BC642698 [0,1,0,1,0,0|2,0,0]=4 141 B13R2.449 c1cc2c(cc1CCBr)CCO2 BC215397 [0,1,0,1,0,0|1,0,1]=4 142 B13R2.449 c1cc2c(cc1CCN)OCO2 BC200286 [0,1,0,1,0,0|1,0,1]=4 143 B13R2.599 COc1cc2c(cc[nH]2)cc1F BC600087 [0,1,0,1,0,0|1,0,1]=4 144 B13R2.599 COc1cc2cn[nH]c2cc1Cl BC600286 [0,1,0,1,0,0|2,0,0]=4