0 B11R2.1 c1cc2c(c[nH]c2nc1)Br ACT06503 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.1 c1cc2c(nc1)COC2=O ACT04440 [0,0,0,0,0,0|3,0,1]=4 2 B11R2.1 c1ccc2c(c1)nnn2O ACT09417 [0,0,0,0,0,0|2,0,0]=2 3 B11R2.1 c1ccn2c(c1)c(cn2)Br ACT10408 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.1 c1ccn2c(c1)n[nH]c2=O ACT03755 [0,0,0,0,0,0|2,0,2]=4 5 B11R2.1 c1ccn2c(c1)ncc2I ACT05230 [0,0,0,0,0,0|4,0,0]=4 6 B10R2.7 B1Oc2ccccc2O1 ACT09441 [1,0,0,0,0,0|2,0,0]=3 7 B10R2.7 c1c[nH]c2c1ccnc2 ACT02479 [1,0,0,0,0,0|3,0,0]=4 8 B10R2.7 c1c[nH]c2c1cncc2 ACT02480 [1,0,0,0,0,0|3,0,0]=4 9 B10R2.7 c1cc2c(cc[nH]2)nc1 ACT02486 [1,0,0,0,0,0|3,0,0]=4 10 B10R2.7 c1cc2cc[nH]c2nc1 ACT02468 [1,0,0,0,0,0|3,0,0]=4 11 B10R2.7 c1ccc2c(c1)[nH]cn2 ACT05819 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.1 c1ccc2c(c1)c(no2)CO ACT09157 [0,1,0,0,0,0|0,0,0]=1 13 B12R2.18 c1ccc2c(c1)CC(C2=O)Br ACT04557 [0,1,0,0,0,0|2,0,1]=4 14 B12R2.132 Cc1c2cc(cnc2[nH]n1)Br ACT10509 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.132 Cc1c[nH]c2c1cc(cc2)F ACT02529 [0,1,0,0,0,0|3,0,0]=4 16 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 ACT02582 [0,1,0,0,0,0|2,0,1]=4 17 B12R2.132 c1cc2c(cc1Cl)c(n[nH]2)I ACT09587 [0,1,0,0,0,0|2,0,0]=3 18 B12R2.132 c1cc2c(cc1F)C(=O)CC2 ACT08311 [0,1,0,0,0,0|2,0,1]=4 19 B12R2.196 Cc1c[nH]c2c1cccc2Br ACT10434 [0,1,0,0,0,0|3,0,0]=4 20 B12R2.196 c1cc2c(c(c1)Br)CCC2=O ACT02584 [0,1,0,0,0,0|2,0,1]=4 21 B12R2.196 c1cc2c(c(c1)Br)CNC2=O ACT09557 [0,1,0,0,0,0|1,0,2]=4 22 B12R2.196 c1cc2c(c(c1)Br)COC2=O ACT05320 [0,1,0,0,0,0|2,0,1]=4 23 B12R2.196 c1cc2c(c(c1)F)CCC2=O ACT10896 [0,1,0,0,0,0|2,0,1]=4 24 B12R2.196 c1cc2c(c(c1)O)CCC2=O ACT10816 [0,1,0,0,0,0|2,0,1]=4 25 B12R2.203 c1cc2c(c(c1)Br)C(=O)CC2 ACT08016 [0,1,0,0,0,0|2,0,1]=4 26 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 ACT03106 [0,1,0,0,0,0|2,0,1]=4 27 B12R2.612 c1cc2c(cc1Br)CCC2=O ACT02586 [0,1,0,0,0,0|2,0,1]=4 28 B12R2.612 c1cc2c(cc1Br)OCC2N ACT10671 [0,1,0,0,0,0|2,0,1]=4 29 B12R2.612 c1cc2c(cc1Cl)CCC2=O ACT02585 [0,1,0,0,0,0|2,0,1]=4 30 B12R2.612 c1cc2c(cc1Cl)COC2=O ACT09470 [0,1,0,0,0,0|2,0,1]=4 31 B12R2.612 c1cc2c(cc1F)CCC2=O ACT08254 [0,1,0,0,0,0|2,0,1]=4 32 B12R2.2028 c1ccc2c(c1)C(=O)OI2O ACT08156 [0,1,0,0,0,0|2,0,1]=4 33 B12R2.2028 c1ccc2c(c1)C(=O)[N-]C2=O ACT12043 [0,1,0,0,0,0|1,0,2]=4 34 B10R1.15 C#CC(c1ccccc1)O ACT09707 [0,0,1,0,0,0|2,0,1]=4 35 B10R1.15 c1ccc(cc1)[C@@H](CO)N ACT03157 [0,0,1,0,0,0|2,0,1]=4 36 B10R1.15 c1ccc(cc1)[C@H](CO)N ACT02360 [0,0,1,0,0,0|2,0,1]=4 37 B10R1.15 c1ccc(cc1)\C(=N\O)\N ACT05094 [0,0,1,0,0,0|1,0,0]=2 38 B10R1.17 C=CCOc1ccccc1 ACT11556 [0,0,1,0,0,0|2,0,0]=3 39 B10R1.17 C=C\C=C\c1ccccc1 ACT09093 [0,0,1,0,0,0|3,0,0]=4 40 B10R1.17 c1ccc(cc1)C#CCO ACT02992 [0,0,1,0,0,0|2,0,1]=4 41 B10R1.20 COc1ccccc1NN ACT12535 [0,0,1,0,0,0|3,0,0]=4 42 B10R1.61 B(c1ccccc1Cl)(O)O ACT04751 [0,0,1,0,0,0|3,0,0]=4 43 B10R1.61 B(c1ccccc1F)(O)O ACT02197 [0,0,1,0,0,0|3,0,0]=4 44 B10R1.61 CC(=O)c1ccccc1Cl ACT06884 [0,0,1,0,0,0|2,0,1]=4 45 B10R1.61 CC(=O)c1ccccc1F ACT10960 [0,0,1,0,0,0|2,0,1]=4 46 B10R1.61 CC(=O)c1ccccc1N ACT05476 [0,0,1,0,0,0|2,0,1]=4 47 B10R1.61 CC(=O)c1ccccc1O ACT05307 [0,0,1,0,0,0|1,0,1]=3 48 B10R1.61 CC(c1ccccc1O)N ACT10543 [0,0,1,0,0,0|1,0,2]=4 49 B10R1.61 C[C@H](c1ccccc1O)N ACT07994 [0,0,1,0,0,0|1,0,2]=4 50 B10R1.61 Cc1c(cccn1)C(=O)O ACT02414 [0,0,1,0,0,0|3,0,0]=4 51 B10R1.61 Cc1ccccc1C(=O)C ACT07828 [0,0,1,0,0,0|2,0,1]=4 52 B10R1.61 c1cc(c(nc1)Br)C(=O)O ACT02431 [0,0,1,0,0,0|3,0,0]=4 53 B10R1.61 c1cc(c(nc1)C(=O)O)Cl ACT01564 [0,0,1,0,0,0|3,0,0]=4 54 B10R1.61 c1cc(c(nc1)C(=O)O)N ACT11742 [0,0,1,0,0,0|3,0,0]=4 55 B10R1.61 c1cc(c(nc1)Cl)C(=O)O ACT11057 [0,0,1,0,0,0|3,0,0]=4 56 B10R1.61 c1cc(c(nc1)F)C(=O)O ACT05346 [0,0,1,0,0,0|3,0,0]=4 57 B10R1.61 c1cc(c(nc1)N)C(=O)O ACT02423 [0,0,1,0,0,0|3,0,0]=4 58 B10R1.61 c1cc(c(nc1)O)C(=O)O ACT06968 [0,0,1,0,0,0|2,0,0]=3 59 B10R1.61 c1cc(c(nc1)S)C(=O)O ACT06873 [0,0,1,0,0,0|2,1,0]=4 60 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br ACT05471 [0,0,1,0,0,0|2,0,1]=4 61 B10R1.61 c1ccc(c(c1)C(=O)O)I ACT05424 [0,0,1,0,0,0|2,0,0]=3 62 B10R1.61 c1cncc(c1C(=O)O)Cl ACT08980 [0,0,1,0,0,0|3,0,0]=4 63 B10R1.61 c1cncc(c1C(=O)O)F ACT11218 [0,0,1,0,0,0|3,0,0]=4 64 B10R1.61 c1cncc(c1C(=O)O)N ACT04453 [0,0,1,0,0,0|3,0,0]=4 65 B10R1.61 c1cncc(c1C(=O)O)N ACT11233 [0,0,1,0,0,0|3,0,0]=4 66 B10R1.61 c1cncc(c1C(=O)O)O ACT01569 [0,0,1,0,0,0|2,0,0]=3 67 B10R1.61 c1cncc(c1Cl)C(=O)O ACT02401 [0,0,1,0,0,0|3,0,0]=4 68 B10R1.61 c1cncc(c1N)C(=O)O ACT02435 [0,0,1,0,0,0|3,0,0]=4 69 B10R1.61 c1cncc(c1O)C(=O)O ACT07024 [0,0,1,0,0,0|2,0,0]=3 70 B12R2.24 Cc1nc2ccccc2nn1 ACT09151 [0,0,0,0,0,1|2,0,0]=3 71 B12R2.24 c1cc2cc(ccc2nc1)O ACT04277 [0,0,0,0,0,1|3,0,0]=4 72 B12R2.24 c1ccc2c(c1)cc(cn2)Br ACT07937 [0,0,0,0,0,1|3,0,0]=4 73 B12R2.24 c1ccc2cc(ccc2c1)Br ACT02955 [0,0,0,0,0,1|3,0,0]=4 74 B12R2.24 c1ccc2cnc(cc2c1)N ACT01923 [0,0,0,0,0,1|2,0,0]=3 75 B12R2.1081 c1cc2cccnc2c(c1)O ACT08881 [0,0,0,0,0,1|3,0,0]=4 76 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl ACT01954 [0,0,0,0,0,1|3,0,0]=4 77 B12R2.1081 c1ccc2c(c1)cccc2F ACT03550 [0,0,0,0,0,1|3,0,0]=4 78 B12R2.1081 c1ccc2c(c1)ccnc2Br ACT05993 [0,0,0,0,0,1|2,0,0]=3 79 B12R2.1081 c1ccc2c(c1)cncc2Br ACT01925 [0,0,0,0,0,1|2,0,0]=3 80 B12R2.1081 c1ccc2c(c1)cncc2F ACT10554 [0,0,0,0,0,1|2,0,0]=3 81 B12R2.1081 c1ccc2c(c1)cncc2O ACT01956 [0,0,0,0,0,1|1,0,0]=2 82 B9R1.6 B(c1ccccc1)(O)O ACT02221 [1,0,1,0,0,0|1,0,0]=3 83 B9R1.6 B(c1cccnc1)(O)O ACT01359 [1,0,1,0,0,0|2,0,0]=4 84 B9R1.6 B(c1ccncc1)(O)O ACT04727 [1,0,1,0,0,0|2,0,0]=4 85 B9R1.6 c1cc(cnc1)C(=N)N ACT04510 [1,0,1,0,0,0|2,0,0]=4 86 B9R1.6 c1cc(cnc1)C(=N)N ACT08665 [1,0,1,0,0,0|2,0,0]=4 87 B9R1.6 c1cc(cnc1)C(=O)O ACT11784 [1,0,1,0,0,0|1,0,1]=4 88 B9R1.6 c1ccnc(c1)C(=O)O ACT11782 [1,0,1,0,0,0|1,0,1]=4 89 B9R1.6 c1cnccc1C(=N)N ACT08666 [1,0,1,0,0,0|2,0,0]=4 90 B9R1.6 c1cnccc1C(=O)O ACT11785 [1,0,1,0,0,0|1,0,1]=4 91 B9R1.8 C=CCc1ccccc1 ACT11557 [1,0,1,0,0,0|2,0,0]=4 92 B9R1.12 c1cc(oc1)\C=C\C=O ACT01881 [1,0,1,0,0,0|2,0,0]=4 93 B9R1.15 COc1ccccc1Br ACT04851 [1,0,1,0,0,0|2,0,0]=4 94 B9R1.15 c1ccc(c(c1)CO)I ACT05458 [1,0,1,0,0,0|1,0,1]=4 95 B9R1.15 c1ccc(c(c1)CO)N ACT09816 [1,0,1,0,0,0|0,0,2]=4 96 B11R1.22 c1cc(ccc1C(CO)O)Br ACT11166 [0,1,1,0,0,0|1,0,1]=4 97 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO ACT00879 [0,1,1,0,0,0|1,0,1]=4 98 B11R1.23 c1cc(cc(c1)Cl)\C(=N\O)\N ACT05185 [0,1,1,0,0,0|1,0,0]=3 99 B11R1.36 c1ccc(cc1)C(C(=O)O)O ACT11898 [0,1,1,0,0,0|1,0,1]=4 100 B11R1.37 COc1ccc(cc1C=O)Br ACT11826 [0,1,1,0,0,0|1,0,1]=4 101 B11R1.53 CCc1ccccc1C(=O)O ACT08461 [0,1,1,0,0,0|2,0,0]=4 102 B11R1.53 COc1cnccc1C(=O)O ACT01562 [0,1,1,0,0,0|2,0,0]=4 103 B11R1.53 c1ccc(c(c1)C(=O)O)NN ACT08237 [0,1,1,0,0,0|1,0,1]=4 104 B11R1.265 COc1c(cccc1F)C=O ACT00618 [0,1,1,0,0,0|1,0,1]=4 105 B11R1.265 COc1cccc(c1C=O)O ACT04673 [0,1,1,0,0,0|1,0,1]=4 106 B11R1.159 Cc1c(cccc1F)C(=O)O ACT11807 [0,1,1,0,0,0|2,0,0]=4 107 B11R1.159 Cc1cccc(c1F)C(=O)O ACT11815 [0,1,1,0,0,0|2,0,0]=4 108 B11R1.159 Cc1cccc(c1N)C(=O)O ACT12122 [0,1,1,0,0,0|2,0,0]=4 109 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O ACT04927 [0,1,1,0,0,0|2,0,0]=4 110 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O ACT11810 [0,1,1,0,0,0|2,0,0]=4 111 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O ACT00442 [0,1,1,0,0,0|2,0,0]=4 112 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O ACT09442 [0,1,1,0,0,0|2,0,0]=4 113 B11R1.166 Cc1cc(c(cn1)C(=O)O)O ACT02411 [0,1,1,0,0,0|2,0,0]=4 114 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O ACT11812 [0,1,1,0,0,0|2,0,0]=4 115 B11R1.166 c1cc(c(cc1Br)F)C(=O)O ACT11804 [0,1,1,0,0,0|2,0,0]=4 116 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O ACT12172 [0,1,1,0,0,0|1,0,0]=3 117 B11R1.166 c1cc(c(cc1F)N)C(=O)O ACT04887 [0,1,1,0,0,0|2,0,0]=4 118 B11R1.166 c1cc(c(cc1I)F)C(=O)O ACT11822 [0,1,1,0,0,0|2,0,0]=4 119 B11R1.167 CC(=O)c1cc(ccc1O)Br ACT06775 [0,1,1,0,0,0|1,0,1]=4 120 B11R1.167 CC(=O)c1cc(ccc1O)F ACT08250 [0,1,1,0,0,0|1,0,1]=4 121 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br ACT11818 [0,1,1,0,0,0|2,0,0]=4 122 B11R1.167 c1c(cnc(c1C(=O)O)O)Br ACT04508 [0,1,1,0,0,0|2,0,0]=4 123 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl ACT04472 [0,1,1,0,0,0|2,0,0]=4 124 B11R1.167 c1cc(c(cc1Br)C(=O)O)I ACT12149 [0,1,1,0,0,0|2,0,0]=4 125 B11R1.167 c1cc(c(cc1F)C(=O)O)Br ACT11942 [0,1,1,0,0,0|2,0,0]=4 126 B11R1.167 c1cc(c(cc1F)C(=O)O)O ACT01103 [0,1,1,0,0,0|1,0,0]=3 127 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl ACT07777 [0,1,1,0,0,0|2,0,0]=4 128 B11R1.167 c1cc(c(cc1I)C(=O)O)F ACT12020 [0,1,1,0,0,0|2,0,0]=4 129 B11R1.167 c1cc(c(cc1I)C(=O)O)N ACT00517 [0,1,1,0,0,0|2,0,0]=4 130 B11R1.167 c1cc(c(cc1O)C(=O)O)F ACT11811 [0,1,1,0,0,0|2,0,0]=4 131 B11R2.10 CC1Cc2ccccc2O1 ACT04628 [1,1,0,0,0,0|1,0,1]=4 132 B11R2.10 c1ccc2c(c1)CC(=C2)Br ACT10966 [1,1,0,0,0,0|2,0,0]=4 133 B11R2.36 c1cc(cc2c1cc[nH]2)Br ACT02481 [1,1,0,0,0,0|2,0,0]=4 134 B11R2.36 c1cc2c(cc1Br)cn[nH]2 ACT01779 [1,1,0,0,0,0|1,0,0]=3 135 B11R2.36 c1cc2c(cc1Cl)cn[nH]2 ACT10091 [1,1,0,0,0,0|1,0,0]=3 136 B11R2.36 c1cc2c(cco2)cc1Br ACT09333 [1,1,0,0,0,0|1,0,0]=3 137 B11R2.36 c1cc2cn[nH]c2cc1Br ACT06505 [1,1,0,0,0,0|1,0,0]=3 138 B11R2.106 c1cc(c2cc[nH]c2c1)N ACT02512 [1,1,0,0,0,0|2,0,0]=4 139 B11R2.106 c1cc(c2ccsc2c1)N ACT09121 [1,1,0,0,0,0|1,1,0]=4 140 B11R2.106 c1cc2c(c(c1)Br)CC=C2 ACT04572 [1,1,0,0,0,0|2,0,0]=4 141 B11R2.106 c1cc2c(cc[nH]2)c(c1)F ACT02471 [1,1,0,0,0,0|2,0,0]=4 142 B11R2.106 c1cc2c(cc[nH]2)c(c1)O ACT02464 [1,1,0,0,0,0|2,0,0]=4 143 B11R2.106 c1cc2cc[nH]c2c(c1)Br ACT02474 [1,1,0,0,0,0|2,0,0]=4 144 B11R2.106 c1cc2cc[nH]c2c(c1)Cl ACT02498 [1,1,0,0,0,0|2,0,0]=4 145 B11R2.106 c1cc2cc[nH]c2c(c1)F ACT02485 [1,1,0,0,0,0|2,0,0]=4 146 B13R2.57 COc1ccc2ccccc2c1 ACT12030 [0,1,0,0,0,1|2,0,0]=4 147 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 ACT09388 [0,1,0,0,0,1|1,0,1]=4 148 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl ACT01917 [0,1,0,0,0,1|2,0,0]=4 149 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl ACT04273 [0,1,0,0,0,1|2,0,0]=4 150 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O ACT09156 [0,1,0,0,0,1|2,0,0]=4 151 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Br ACT10197 [0,1,0,0,0,1|2,0,0]=4 152 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Cl ACT11744 [0,1,0,0,0,1|2,0,0]=4 153 B13R2.371 c1ccc2c(c1)c(nnc2Cl)Cl ACT09269 [0,1,0,0,0,1|2,0,0]=4 154 B13R2.1613 c1ccc2c(c1)cccc2CO ACT11552 [0,1,0,0,0,1|2,0,0]=4 155 B13R2.72 CC(=O)c1c2ccccc2[nH]n1 ACT09737 [0,2,0,0,0,0|1,0,1]=4 156 B13R2.72 c1ccc2c(c1)c(cs2)C(=O)O ACT02275 [0,2,0,0,0,0|1,1,0]=4 157 B13R2.2136 Cc1ccc2c(c1)c(c[nH]2)CO ACT09254 [0,2,0,0,0,0|2,0,0]=4