0 B12R2.1081 CC1c2ccccc2CCN1 ACT04902 [0,0,0,0,0,0|1,0,3]=4 1 B12R2.1081 c1cc2cccnc2c(c1)Br ACT01910 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.1081 c1cc2cccnc2c(c1)N ACT08349 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.1081 c1cc2cccnc2c(c1)O ACT08881 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.1081 c1cc2cccnc2c(c1)[O-] ACT04183 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl ACT01954 [0,0,0,0,0,0|2,0,0]=2 6 B12R2.1081 c1ccc2c(c1)cccc2F ACT03550 [0,0,0,0,0,0|1,0,0]=1 7 B12R2.1081 c1ccc2c(c1)ccnc2Br ACT05993 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.1081 c1ccc2c(c1)cncc2Br ACT01925 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.1081 c1ccc2c(c1)cncc2F ACT10554 [0,0,0,0,0,0|2,0,0]=2 10 B12R2.1081 c1ccc2c(c1)cncc2O ACT01956 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.162 c1cc2c(cc1Br)c(ncn2)Cl ACT09654 [0,1,0,0,0,0|3,0,0]=4 12 B13R2.162 c1cc2c(cc1I)c(ncn2)Cl ACT11667 [0,1,0,0,0,0|3,0,0]=4 13 B13R2.328 c1ccc2c(c1)CC(=O)NC2=O ACT04506 [0,1,0,0,0,0|2,0,1]=4 14 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)[nH]2 ACT12009 [0,1,0,0,0,0|3,0,0]=4 15 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O ACT05426 [0,1,0,0,0,0|2,0,0]=3 16 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl ACT01917 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl ACT04273 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.371 c1ccc2c(c1)c(ccc2Br)N ACT09324 [0,1,0,0,0,0|1,0,0]=2 19 B13R2.371 c1ccc2c(c1)c(ccc2F)N ACT04710 [0,1,0,0,0,0|1,0,0]=2 20 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Br ACT10197 [0,1,0,0,0,0|2,0,0]=3 21 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Cl ACT11744 [0,1,0,0,0,0|2,0,0]=3 22 B13R2.371 c1ccc2c(c1)c(nnc2Cl)Cl ACT09269 [0,1,0,0,0,0|3,0,0]=4 23 B13R2.1613 c1ccc2c(c1)cccc2CO ACT11552 [0,1,0,0,0,0|0,0,0]=1 24 B13R2.5179 c1cc2c(cc1F)nc[nH]c2=O ACT09080 [0,1,0,0,0,0|3,0,0]=4 25 B11R2.1 c1cc2c(c[nH]c2nc1)Br ACT06503 [0,0,0,0,1,0|3,0,0]=4 26 B11R2.1 c1ccn2c(c1)c(cn2)Br ACT10408 [0,0,0,0,1,0|3,0,0]=4 27 B11R2.1 c1ccn2c(c1)ncc2I ACT05230 [0,0,0,0,1,0|3,0,0]=4 28 B11R2.106 c1c[nH]c2c1c(ccn2)Cl ACT03614 [0,0,0,0,1,0|3,0,0]=4 29 B11R2.106 c1c[nH]c2c1c(ccn2)O ACT06871 [0,0,0,0,1,0|3,0,0]=4 30 B11R2.106 c1cc(c2cc[nH]c2c1)N ACT02512 [0,0,0,0,1,0|2,0,0]=3 31 B11R2.106 c1cc(c2ccsc2c1)N ACT09121 [0,0,0,0,1,0|2,0,0]=3 32 B11R2.106 c1cc2c(c(c1)Br)CC=C2 ACT04572 [0,0,0,0,1,0|1,0,1]=3 33 B11R2.106 c1cc2c(cc[nH]2)c(c1)F ACT02471 [0,0,0,0,1,0|2,0,0]=3 34 B11R2.106 c1cc2c(cc[nH]2)c(c1)O ACT02464 [0,0,0,0,1,0|2,0,0]=3 35 B11R2.106 c1cc2cc[nH]c2c(c1)Br ACT02474 [0,0,0,0,1,0|2,0,0]=3 36 B11R2.106 c1cc2cc[nH]c2c(c1)Cl ACT02498 [0,0,0,0,1,0|2,0,0]=3 37 B11R2.106 c1cc2cc[nH]c2c(c1)F ACT02485 [0,0,0,0,1,0|2,0,0]=3 38 B11R2.106 c1cc2nccn2c(c1)Br ACT09892 [0,0,0,0,1,0|3,0,0]=4 39 B10R1.2 Cc1cccc(c1C)C=O ACT11850 [1,0,1,0,0,0|1,0,1]=4 40 B10R1.2 Cc1cccc(c1O)C=O ACT02943 [1,0,1,0,0,0|2,0,0]=4 41 B10R1.4 C=CCc1ccccc1O ACT04626 [1,0,1,0,0,0|1,0,1]=4 42 B10R1.17 C=CCOc1ccccc1 ACT11556 [1,0,1,0,0,0|1,0,1]=4 43 B10R1.17 C=C\C=C\c1ccccc1 ACT09093 [1,0,1,0,0,0|0,0,0]=2 44 B10R1.61 CC(=O)c1ccccc1Cl ACT06884 [1,0,1,0,0,0|2,0,0]=4 45 B10R1.61 CC(=O)c1ccccc1F ACT10960 [1,0,1,0,0,0|2,0,0]=4 46 B10R1.61 CC(=O)c1ccccc1N ACT05476 [1,0,1,0,0,0|2,0,0]=4 47 B10R1.61 CC(=O)c1ccccc1O ACT05307 [1,0,1,0,0,0|2,0,0]=4 48 B10R1.61 Cc1ccccc1C(=O)C ACT07828 [1,0,1,0,0,0|1,0,1]=4 49 B12R1.27 COC(=O)C=Cc1ccccc1 ACT05429 [0,1,1,0,0,0|1,0,0]=3 50 B12R2.24 c1cc2cc(ccc2nc1)Br ACT10708 [1,1,0,0,0,0|1,0,0]=3 51 B12R2.24 c1cc2cc(ccc2nc1)O ACT04277 [1,1,0,0,0,0|1,0,0]=3 52 B12R2.24 c1cc2cnccc2cc1Br ACT06105 [1,1,0,0,0,0|1,0,0]=3 53 B12R2.24 c1ccc2c(c1)cc(cn2)Br ACT07937 [1,1,0,0,0,0|1,0,0]=3 54 B12R2.24 c1ccc2c[n+](ccc2c1)[O-] ACT09349 [1,1,0,0,0,0|1,0,0]=3 55 B12R2.24 c1ccc2cc(ccc2c1)Br ACT02955 [1,1,0,0,0,0|0,0,0]=2 56 B12R2.24 c1ccc2cnc(cc2c1)N ACT01923 [1,1,0,0,0,0|1,0,0]=3 57 B12R2.1 c1ccc2c(c1)c(no2)CO ACT09157 [0,1,0,0,1,0|2,0,0]=4 58 B12R2.132 Cc1c[nH]c2c1cc(cc2)F ACT02529 [0,1,0,0,1,0|1,0,0]=3 59 B12R2.196 Cc1c[nH]c2c1cccc2Br ACT10434 [0,1,0,0,1,0|1,0,0]=3 60 B12R2.2028 c1ccc2c(c1)C(=O)[N-]C2=O ACT12043 [0,1,0,0,1,0|2,0,0]=4 61 B12R2.202 CC1=Cc2c(cccc2Br)C1 ACT04566 [0,1,0,0,1,0|1,0,1]=4 62 B12R2.202 CC1=Cc2cccc(c2C1)Br ACT04571 [0,1,0,0,1,0|1,0,1]=4 63 B12R2.246 Cc1cc(nc2c1cc[nH]2)Cl ACT09759 [0,1,0,0,1,0|2,0,0]=4 64 B12R2.315 COc1cccc2c1[nH]cc2 ACT02567 [0,1,0,0,1,0|1,0,0]=3 65 B12R2.315 COc1cccc2c1cc[nH]2 ACT02514 [0,1,0,0,1,0|1,0,0]=3 66 B14R2.92 c1cc2ccc(c(c2nc1)O)C=O ACT10718 [0,2,0,0,0,0|2,0,0]=4 67 B14R2.92 c1ccc2c(c1)c(c(cn2)C#N)Cl ACT10092 [0,2,0,0,0,0|2,0,0]=4 68 B14R2.92 c1ccc2c(c1)c(c(cn2)C#N)O ACT09330 [0,2,0,0,0,0|2,0,0]=4 69 B14R2.8188 c1cc2c(cc(c(c2F)Br)F)nc1 ACT06626 [0,2,0,0,0,0|2,0,0]=4 70 B14R2.142 COc1ccc2cccc(c2c1)O ACT10037 [0,2,0,0,0,0|1,0,0]=3 71 B14R2.8235 c1cc2c(cc1F)c(cc(n2)Cl)Cl ACT05053 [0,2,0,0,0,0|2,0,0]=4 72 B14R2.1146 c1ccc2c(c1)c(cc(=O)[nH]2)CBr ACT03569 [0,2,0,0,0,0|1,0,0]=3 73 B14R2.7150 C=CCc1cccc2c1cccc2 ACT11558 [0,2,0,0,0,0|0,0,0]=2 74 B14R2.7150 CNCc1cccc2c1cccc2 ACT11650 [0,2,0,0,0,0|0,0,0]=2 75 B14R2.31359 B(c1cccc2c1nccc2)(O)O ACT01981 [0,2,0,0,0,0|2,0,0]=4 76 B14R2.31359 CC(c1cccc2c1cccc2)O ACT08958 [0,2,0,0,0,0|0,0,0]=2 77 B14R2.31359 C[C@H](c1cccc2c1cccc2)N ACT06595 [0,2,0,0,0,0|0,0,0]=2 78 B14R2.31359 c1cc2cnccc2c(c1)[N+](=O)[O-] ACT09900 [0,2,0,0,0,0|2,0,0]=4 79 B14R2.1801 COc1ccc2c(ccnc2c1)Cl ACT03693 [0,2,0,0,0,0|2,0,0]=4 80 B14R2.1801 COc1ccc2c(ccnc2c1)O ACT01918 [0,2,0,0,0,0|2,0,0]=4 81 B12R2.2 c1ccc(cc1)c2cocn2 ACT09219 [0,0,1,1,0,0|2,0,0]=4 82 B10R2.7 c1c[nH]c2c1ccnc2 ACT02479 [1,0,0,0,1,0|2,0,0]=4 83 B10R2.7 c1c[nH]c2c1cncc2 ACT02480 [1,0,0,0,1,0|2,0,0]=4 84 B10R2.7 c1cc2c(cc[nH]2)nc1 ACT02486 [1,0,0,0,1,0|2,0,0]=4 85 B10R2.7 c1cc2cc[nH]c2nc1 ACT02468 [1,0,0,0,1,0|2,0,0]=4 86 B10R2.7 c1ccc2c(c1)[nH]cn2 ACT05819 [1,0,0,0,1,0|2,0,0]=4