0 B12R2.24 Cc1nc2ccccc2nn1 AS06650 [0,1,0,0,0,0|2,0,1]=4 1 B12R2.24 c1cc2cc(ccc2nc1)I AS06220 [0,1,0,0,0,0|2,0,0]=3 2 B12R2.24 c1ccc2cc(ccc2c1)Br AS02431 [0,1,0,0,0,0|1,0,1]=3 3 B12R2.1081 c1cc2c(c(c1)N)CCCC2 AS02443 [0,1,0,0,0,0|1,0,2]=4 4 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AS06210 [0,1,0,0,0,0|2,0,1]=4 5 B12R2.1081 c1ccc2c(c1)cccc2Cl AS02472 [0,1,0,0,0,0|1,0,1]=3 6 B12R2.1081 c1ccc2c(c1)cccc2F AS02917 [0,1,0,0,0,0|1,0,1]=3 7 B12R2.1081 c1ccc2c(c1)cccc2I AS06208 [0,1,0,0,0,0|1,0,1]=3 8 B12R2.1081 c1ccc2c(c1)cccc2N AS02473 [0,1,0,0,0,0|1,0,1]=3 9 B10R1.4 CCOc1ccccc1C AS07155 [0,0,1,0,0,0|2,0,1]=4 10 B10R1.4 COCc1ccccc1Br AS03400 [0,0,1,0,0,0|2,0,1]=4 11 B10R1.4 COCc1ccccc1Br AS03402 [0,0,1,0,0,0|2,0,1]=4 12 B10R1.4 Cc1ccccc1CC#N AS01367 [0,0,1,0,0,0|0,0,3]=4 13 B10R1.4 c1ccc(c(c1)C=NO)Br AS00915 [0,0,1,0,0,0|3,0,0]=4 14 B10R1.4 c1ccc(c(c1)C=NO)F AS00301 [0,0,1,0,0,0|3,0,0]=4 15 B10R1.4 c1ccc(c(c1)CC#N)Br AS01641 [0,0,1,0,0,0|3,0,0]=4 16 B10R1.4 c1ccc(c(c1)CC#N)F AS01388 [0,0,1,0,0,0|3,0,0]=4 17 B10R1.4 c1ccc(c(c1)CC#N)I AS01645 [0,0,1,0,0,0|3,0,0]=4 18 B10R1.4 c1ccc(c(c1)CC#N)N AS06069 [0,0,1,0,0,0|3,0,0]=4 19 B10R1.4 c1ccc(c(c1)CCBr)F AS02432 [0,0,1,0,0,0|3,0,0]=4 20 B10R1.4 c1ccc(c(c1)CCN)F AS00483 [0,0,1,0,0,0|1,0,2]=4 21 B10R1.4 c1ccc(c(c1)CCO)Br AS06007 [0,0,1,0,0,0|3,0,0]=4 22 B10R1.4 c1ccc(c(c1)CCO)Cl AS00582 [0,0,1,0,0,0|3,0,0]=4 23 B10R1.4 c1ccc(c(c1)CCO)F AS00577 [0,0,1,0,0,0|3,0,0]=4 24 B10R1.17 CCCOc1ccccc1 AS01111 [0,0,1,0,0,0|2,0,1]=4 25 B10R1.17 c1ccc(cc1)C#CC=O AS06906 [0,0,1,0,0,0|2,0,1]=4 26 B10R1.17 c1ccc(cc1)CCCBr AS03468 [0,0,1,0,0,0|2,0,1]=4 27 B10R1.17 c1ccc(cc1)CN=C=S AS04379 [0,0,1,0,0,0|1,0,2]=4 28 B10R1.20 CCc1ccccc1C=O AS04433 [0,0,1,0,0,0|2,0,0]=3 29 B10R1.20 CCc1ccccc1OC AS02573 [0,0,1,0,0,0|2,0,1]=4 30 B10R1.20 COc1ccccc1CCl AS05988 [0,0,1,0,0,0|2,0,1]=4 31 B10R1.20 COc1ccccc1CO AS03989 [0,0,1,0,0,0|2,0,1]=4 32 B10R1.20 COc1ccccc1NN AS02474 [0,0,1,0,0,0|2,0,1]=4 33 B10R1.20 COc1ccccc1NN AS06157 [0,0,1,0,0,0|2,0,1]=4 34 B10R1.20 c1ccc(c(c1)C=O)C=O AS03002 [0,0,1,0,0,0|2,0,1]=4 35 B10R1.20 c1ccc(c(c1)CBr)C#N AS00647 [0,0,1,0,0,0|2,0,1]=4 36 B10R1.20 c1ccc(c(c1)CBr)CBr AS00651 [0,0,1,0,0,0|2,0,1]=4 37 B10R1.20 c1ccc(c(c1)CO)C#N AS02592 [0,0,1,0,0,0|2,0,1]=4 38 B10R1.20 c1ccc(c(c1)CO)CO AS05939 [0,0,1,0,0,0|2,0,1]=4 39 B10R2.7 c1cc2cc[nH]c2nc1 AS07114 [0,0,0,0,1,0|1,0,0]=2 40 B12R2.41 c1ccc2c(c1)CCNCC2 AS06230 [0,0,0,0,0,1|0,0,2]=3 41 B9R1.8 c1ccc(cc1)CC#N AS01366 [1,0,1,0,0,0|1,0,1]=4 42 B9R1.8 c1ccc(cc1)CCCl AS00650 [1,0,1,0,0,0|1,0,1]=4 43 B9R1.8 c1ccc(cc1)CCN AS00484 [1,0,1,0,0,0|0,0,2]=4 44 B9R1.8 c1ccc(cc1)CCO AS00558 [1,0,1,0,0,0|1,0,1]=4 45 B9R1.8 c1ccc(cc1)CON AS04494 [1,0,1,0,0,0|1,0,1]=4 46 B9R1.15 C=Cc1ccccc1Br AS03804 [1,0,1,0,0,0|1,0,0]=3 47 B9R1.15 C=Cc1ccccc1F AS03294 [1,0,1,0,0,0|1,0,0]=3 48 B9R1.15 CCc1ccccc1Br AS03252 [1,0,1,0,0,0|1,0,1]=4 49 B9R1.15 CCc1ccccc1I AS02158 [1,0,1,0,0,0|1,0,1]=4 50 B9R1.15 CNc1ccccc1N AS04592 [1,0,1,0,0,0|1,0,1]=4 51 B9R1.15 COc1ccccc1N AS01503 [1,0,1,0,0,0|1,0,1]=4 52 B9R1.15 CSc1ccccc1N AS04281 [1,0,1,0,0,0|1,0,1]=4 53 B9R1.15 Cc1ccccc1C=O AS02777 [1,0,1,0,0,0|1,0,0]=3 54 B9R1.15 Cc1ccccc1CBr AS02052 [1,0,1,0,0,0|1,0,1]=4 55 B9R1.15 Cc1ccccc1CCl AS03843 [1,0,1,0,0,0|1,0,1]=4 56 B9R1.15 Cc1ccccc1CN AS00380 [1,0,1,0,0,0|0,0,1]=3 57 B9R1.15 Cc1ccccc1NN AS02962 [1,0,1,0,0,0|1,0,0]=3 58 B9R1.15 Cc1ccccc1OC AS01015 [1,0,1,0,0,0|1,0,1]=4 59 B9R1.15 Cc1ccccc1SC AS04306 [1,0,1,0,0,0|1,0,1]=4 60 B9R1.15 c1ccc(c(c1)C#N)N AS02644 [1,0,1,0,0,0|1,0,1]=4 61 B9R1.15 c1ccc(c(c1)C=O)Br AS03776 [1,0,1,0,0,0|2,0,0]=4 62 B9R1.15 c1ccc(c(c1)C=O)F AS02999 [1,0,1,0,0,0|2,0,0]=4 63 B9R1.15 c1ccc(c(c1)C=O)I AS03914 [1,0,1,0,0,0|2,0,0]=4 64 B9R1.15 c1ccc(c(c1)C=O)N AS04430 [1,0,1,0,0,0|1,0,0]=3 65 B9R1.15 c1ccc(c(c1)C=O)O AS03003 [1,0,1,0,0,0|2,0,0]=4 66 B9R1.15 c1ccc(c(c1)C=O)O AS07244 [1,0,1,0,0,0|2,0,0]=4 67 B9R1.15 c1ccc(c(c1)CBr)Br AS02057 [1,0,1,0,0,0|2,0,0]=4 68 B9R1.15 c1ccc(c(c1)CBr)Cl AS02065 [1,0,1,0,0,0|2,0,0]=4 69 B9R1.15 c1ccc(c(c1)CBr)F AS00662 [1,0,1,0,0,0|2,0,0]=4 70 B9R1.15 c1ccc(c(c1)CBr)I AS00633 [1,0,1,0,0,0|2,0,0]=4 71 B9R1.15 c1ccc(c(c1)CCl)F AS00659 [1,0,1,0,0,0|2,0,0]=4 72 B9R1.15 c1ccc(c(c1)CN)Br AS02252 [1,0,1,0,0,0|1,0,0]=3 73 B9R1.15 c1ccc(c(c1)CN)Br AS03101 [1,0,1,0,0,0|1,0,0]=3 74 B9R1.15 c1ccc(c(c1)CN)Cl AS00369 [1,0,1,0,0,0|1,0,0]=3 75 B9R1.15 c1ccc(c(c1)CN)Cl AS02687 [1,0,1,0,0,0|1,0,0]=3 76 B9R1.15 c1ccc(c(c1)CN)F AS00832 [1,0,1,0,0,0|1,0,0]=3 77 B9R1.15 c1ccc(c(c1)CN)F AS01936 [1,0,1,0,0,0|1,0,0]=3 78 B9R1.15 c1ccc(c(c1)CN)I AS02221 [1,0,1,0,0,0|1,0,0]=3 79 B9R1.15 c1ccc(c(c1)CN)I AS02299 [1,0,1,0,0,0|1,0,0]=3 80 B9R1.15 c1ccc(c(c1)CN)N AS06598 [1,0,1,0,0,0|1,0,0]=3 81 B9R1.15 c1ccc(c(c1)CO)Br AS03952 [1,0,1,0,0,0|2,0,0]=4 82 B9R1.15 c1ccc(c(c1)CO)Cl AS03963 [1,0,1,0,0,0|2,0,0]=4 83 B9R1.15 c1ccc(c(c1)CO)F AS03976 [1,0,1,0,0,0|2,0,0]=4 84 B9R1.15 c1ccc(c(c1)CO)I AS03985 [1,0,1,0,0,0|2,0,0]=4 85 B9R1.15 c1ccc(c(c1)CO)N AS00575 [1,0,1,0,0,0|1,0,1]=4 86 B9R1.15 c1ccc(c(c1)CO)O AS00547 [1,0,1,0,0,0|2,0,0]=4 87 B9R1.15 c1ccc(c(c1)NN)Br AS02014 [1,0,1,0,0,0|2,0,0]=4 88 B9R1.15 c1ccc(c(c1)NN)Cl AS01997 [1,0,1,0,0,0|2,0,0]=4 89 B9R1.15 c1ccc(c(c1)NN)F AS02017 [1,0,1,0,0,0|2,0,0]=4 90 B9R1.15 c1ccc(c(c1)NN)F AS02959 [1,0,1,0,0,0|2,0,0]=4 91 B11R1.41 c1ccc(c(c1)CCBr)C=O AS06680 [0,1,1,0,0,0|2,0,0]=4 92 B11R1.86 Cc1ccccc1NC(=O)C AS00877 [0,1,1,0,0,0|2,0,0]=4 93 B11R1.86 c1ccc(c(c1)NC(=S)N)F AS06852 [0,1,1,0,0,0|2,0,0]=4 94 B11R1.222 c1ccc(c(c1)C(=O)CN)Br AS05062 [0,1,1,0,0,0|1,0,1]=4 95 B11R1.222 c1ccc(c(c1)C(=O)CN)Cl AS05070 [0,1,1,0,0,0|1,0,1]=4 96 B11R1.222 c1ccc(c(c1)C(=O)CN)F AS05081 [0,1,1,0,0,0|1,0,1]=4 97 B11R1.222 c1ccc(c(c1)C(=O)NN)Br AS00926 [0,1,1,0,0,0|2,0,0]=4 98 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl AS02682 [0,1,1,0,0,0|2,0,0]=4 99 B11R1.222 c1ccc(c(c1)C(=O)NN)F AS02953 [0,1,1,0,0,0|2,0,0]=4 100 B11R1.222 c1ccc(c(c1)C(=O)NN)O AS00900 [0,1,1,0,0,0|2,0,0]=4 101 B11R1.28 c1ccc(cc1)CNCC#N AS06325 [0,1,1,0,0,0|0,0,2]=4 102 B11R1.91 CC(=O)OCc1ccccc1 AS01460 [0,1,1,0,0,0|1,0,1]=4 103 B11R1.91 c1ccc(cc1)C=CC(=O)O AS07055 [0,1,1,0,0,0|2,0,0]=4 104 B11R1.37 CCc1cc(ccc1C=O)O AS06473 [0,1,1,0,0,0|2,0,0]=4 105 B11R1.37 COc1cc(ccc1CN)F AS02609 [0,1,1,0,0,0|1,0,1]=4 106 B11R1.37 COc1ccc(cc1CN)F AS02611 [0,1,1,0,0,0|1,0,1]=4 107 B11R1.53 CC(C)c1ccccc1C=O AS06366 [0,1,1,0,0,0|2,0,0]=4 108 B11R1.53 c1ccc(c(c1)C(=O)O)NN AS04612 [0,1,1,0,0,0|2,0,0]=4 109 B11R1.53 c1ccc(c(c1)CCl)C(=O)O AS00738 [0,1,1,0,0,0|2,0,0]=4 110 B11R1.265 CCc1cccc(c1C=O)O AS06356 [0,1,1,0,0,0|2,0,0]=4 111 B11R1.265 COc1cccc(c1CN)F AS06022 [0,1,1,0,0,0|1,0,1]=4 112 B11R2.1 c1ccc2c(c1)c(co2)Br AS06438 [0,1,0,0,1,0|1,0,0]=3 113 B11R2.1 c1ccc2c(c1)c(no2)Cl AS06286 [0,1,0,0,1,0|1,0,1]=4 114 B11R2.1 c1ccc2c(c1)c(no2)O AS06287 [0,1,0,0,1,0|1,0,1]=4 115 B11R2.36 Cc1ccc2c(c1)cco2 AS06433 [0,1,0,0,1,0|1,0,0]=3 116 B11R2.36 Cc1ccc2ccsc2c1 AS06413 [0,1,0,0,1,0|1,0,0]=3 117 B11R2.36 c1cc(cc2c1cc[nH]2)F AS02103 [0,1,0,0,1,0|0,0,0]=2 118 B11R2.36 c1cc(cc2c1cco2)O AS06445 [0,1,0,0,1,0|1,0,0]=3 119 B11R2.36 c1cc(cc2c1ccs2)Br AS06370 [0,1,0,0,1,0|1,0,0]=3 120 B11R2.36 c1cc2c(cc1Br)CCO2 AS06345 [0,1,0,0,1,0|1,0,1]=4 121 B11R2.36 c1cc2c(cc1Br)OCC2 AS06451 [0,1,0,0,1,0|1,0,1]=4 122 B11R2.36 c1cc2c(cc1F)[nH]cn2 AS07084 [0,1,0,0,1,0|1,0,0]=3 123 B11R2.36 c1cc2c(cc1I)CCO2 AS06344 [0,1,0,0,1,0|1,0,1]=4 124 B11R2.36 c1cc2c(cc1N)CCO2 AS06343 [0,1,0,0,1,0|1,0,1]=4 125 B11R2.36 c1cc2c(cc1N)nc[nH]2 AS06676 [0,1,0,0,1,0|1,0,0]=3 126 B11R2.36 c1cc2c(cc[nH]2)cc1F AS02102 [0,1,0,0,1,0|0,0,0]=2 127 B11R2.36 c1cc2c(cco2)cc1Br AS06418 [0,1,0,0,1,0|1,0,0]=3 128 B11R2.36 c1cc2c(cco2)cc1Cl AS06428 [0,1,0,0,1,0|1,0,0]=3 129 B11R2.36 c1cc2c(cco2)cc1F AS06429 [0,1,0,0,1,0|1,0,0]=3 130 B11R2.36 c1cc2c(ccs2)cc1Br AS06396 [0,1,0,0,1,0|1,0,0]=3 131 B11R2.106 Cc1cccc2c1ccs2 AS06380 [0,1,0,0,1,0|1,0,0]=3 132 B11R2.106 Cc1cccc2c1occ2 AS06434 [0,1,0,0,1,0|1,0,0]=3 133 B11R2.106 c1cc(c2c(c1)ocn2)N AS06338 [0,1,0,0,1,0|1,0,1]=4 134 B11R2.106 c1cc(c2ccoc2c1)O AS06427 [0,1,0,0,1,0|1,0,0]=3 135 B11R2.106 c1cc(c2ccsc2c1)F AS06415 [0,1,0,0,1,0|1,0,0]=3 136 B11R2.106 c1cc2c(c(c1)F)CCN2 AS06054 [0,1,0,0,1,0|0,0,2]=4 137 B11R2.106 c1cc2c(cc[nH]2)c(c1)F AS02112 [0,1,0,0,1,0|0,0,0]=2 138 B11R2.106 c1cc2c(ccs2)c(c1)Br AS06414 [0,1,0,0,1,0|1,0,0]=3 139 B11R2.106 c1cc2cc[nH]c2c(c1)F AS02114 [0,1,0,0,1,0|0,0,0]=2 140 B11R2.106 c1cc2ccoc2c(c1)Br AS06376 [0,1,0,0,1,0|1,0,0]=3 141 B11R2.106 c1cc2ccoc2c(c1)Cl AS06439 [0,1,0,0,1,0|1,0,0]=3 142 B11R2.106 c1cc2ccoc2c(c1)F AS06440 [0,1,0,0,1,0|1,0,0]=3 143 B13R2.33 c1ccc2c(c1)CCC(=O)CC2 AS06277 [0,1,0,0,0,1|1,0,1]=4 144 B13R2.5252 c1ccc2c(c1)C(=O)CCCN2 AS06635 [0,1,0,0,0,1|1,0,1]=4 145 B13R2.57 c1ccc2cc(ccc2c1)CCl AS06207 [0,2,0,0,0,0|1,0,1]=4 146 B13R2.3683 c1cc(cc2c1cc(cc2)Br)F AS02460 [0,2,0,0,0,0|1,0,1]=4 147 B13R2.3683 c1cc(cc2c1cc(cc2)Br)N AS02461 [0,2,0,0,0,0|1,0,1]=4 148 B13R2.342 c1cc2c(c(c1)O)CCCC2=O AS02947 [0,2,0,0,0,0|1,0,1]=4 149 B13R2.1613 c1ccc2c(c1)cccc2CBr AS02445 [0,2,0,0,0,0|1,0,1]=4