0 B11R1.605 c1cc(c(c(c1)Cl)CCN)Cl LS11234 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.605 c1cc(c(c(c1)Cl)CCO)Cl LS11242 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.605 c1cc(c(c(c1)Cl)CCO)F LS11251 [0,0,0,0,0,0|1,1,0]=2 3 B11R1.605 c1cc(c(c(c1)F)CCN)F LS11235 [0,0,0,0,0,0|0,2,0]=2 4 B11R1.605 c1nc(c(c(n1)Cl)CC=O)Cl LS20094 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.4 C=CCc1ccccc1O LS11683 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.4 CCOc1ccccc1Br LS10370 [1,0,0,0,0,0|2,1,0]=4 7 B10R1.4 Cc1ccccc1CCO LS11237 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.4 c1ccc(c(c1)CCN)Br LS11226 [1,0,0,0,0,0|0,1,0]=2 9 B10R1.4 c1ccc(c(c1)CCN)Cl LS11231 [1,0,0,0,0,0|0,0,0]=1 10 B10R1.4 c1ccc(c(c1)CCO)Br LS11247 [1,0,0,0,0,0|1,1,0]=3 11 B10R1.4 c1ccc(c(c1)CCO)F LS11240 [1,0,0,0,0,0|1,1,0]=3 12 B10R1.4 c1ccc(c(c1)CNN)F LS10154 [1,0,0,0,0,0|1,1,0]=3 13 B10R1.245 COc1c(cccc1Br)Br LS11344 [1,0,0,0,0,0|1,2,0]=4 14 B10R1.245 COc1c(cccc1Br)F LS11343 [1,0,0,0,0,0|1,2,0]=4 15 B10R1.245 COc1c(cccc1Cl)F LS10027 [1,0,0,0,0,0|1,1,0]=3 16 B10R1.245 COc1c(cccc1F)N LS10380 [1,0,0,0,0,0|2,1,0]=4 17 B10R1.245 COc1c(cccc1I)F LS10378 [1,0,0,0,0,0|1,2,0]=4 18 B10R1.245 Cc1cccc(c1CCl)C LS10100 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.245 c1cc(c(c(c1)Br)CO)F LS11306 [1,0,0,0,0,0|1,2,0]=4 20 B10R1.245 c1cc(c(c(c1)Cl)C#N)Cl LS11439 [1,0,0,0,0,0|0,0,2]=3 21 B10R1.245 c1cc(c(c(c1)Cl)C#N)N LS11438 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl LS11436 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.245 c1cc(c(c(c1)Cl)C=O)O LS11631 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.245 c1cc(c(c(c1)Cl)CN)Cl LS11221 [1,0,0,0,0,0|0,0,0]=1 25 B10R1.245 c1cc(c(c(c1)Cl)CO)Cl LS11271 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.245 c1cc(c(c(c1)Cl)CO)F LS11277 [1,0,0,0,0,0|1,1,0]=3 27 B10R1.245 c1cc(c(c(c1)F)CBr)F LS10251 [1,0,0,0,0,0|1,2,0]=4 28 B10R1.245 c1cc(c(c(c1)F)CCl)F LS11266 [1,0,0,0,0,0|1,2,0]=4 29 B10R1.245 c1cc(c(c(c1)F)CN)F LS11224 [1,0,0,0,0,0|0,2,0]=3 30 B10R1.245 c1cc(c(c(c1)F)CO)F LS11272 [1,0,0,0,0,0|1,2,0]=4 31 B10R1.245 c1cc(c(c(c1)I)C#N)Cl LS10439 [1,0,0,0,0,0|0,1,2]=4 32 B10R1.245 c1cnc(c(c1Cl)C=O)Cl LS21171 [1,0,0,0,0,0|2,0,1]=4 33 B12R1.1095 Cc1cc(c(c(c1)C)CCO)C LS11252 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.8 c1ccc(cc1)CCN LS10634 [2,0,0,0,0,0|0,0,0]=2 35 B9R1.8 c1ccc(cc1)CCN LS10635 [2,0,0,0,0,0|0,0,0]=2 36 B9R1.8 c1ccc(cc1)CNO LS11836 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.8 c1ccc(cc1)CNO LS40338 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.8 c1ccc(cc1)CON LS40003 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.8 c1cnccc1CCN LS21103 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.15 C=Cc1ccccc1Cl LS11654 [2,0,0,0,0,0|0,0,2]=4 41 B9R1.15 CNc1ccccc1Br LS11478 [2,0,0,0,0,0|1,1,0]=4 42 B9R1.15 CNc1ccccc1F LS10646 [2,0,0,0,0,0|1,1,0]=4 43 B9R1.15 CSc1ccccc1Br LS11369 [2,0,0,0,0,0|1,1,0]=4 44 B9R1.15 Cc1ccccc1CBr LS11262 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.15 Cc1ccccc1CN LS11218 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.15 Cc1ccccc1CO LS11274 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.15 c1cc(c(nc1)Cl)CO LS20227 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.15 c1ccc(c(c1)CBr)F LS11504 [2,0,0,0,0,0|1,1,0]=4 49 B9R1.15 c1ccc(c(c1)CBr)I LS11268 [2,0,0,0,0,0|1,1,0]=4 50 B9R1.15 c1ccc(c(c1)CN)Br LS11216 [2,0,0,0,0,0|0,1,0]=3 51 B9R1.15 c1ccc(c(c1)CO)F LS11270 [2,0,0,0,0,0|1,1,0]=4 52 B9R1.15 c1ccc(c(c1)CO)I LS11276 [2,0,0,0,0,0|1,1,0]=4 53 B9R1.15 c1ccc(c(c1)CO)N LS10594 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.15 c1ccc(c(c1)NN)Br LS11826 [2,0,0,0,0,0|1,1,0]=4 55 B9R1.15 c1ccc(c(c1)NN)F LS11539 [2,0,0,0,0,0|1,1,0]=4 56 B9R1.3 Cc1c(cccc1Br)F LS11797 [2,0,0,0,0,0|0,2,0]=4 57 B9R1.3 Cc1c(cccc1Br)N LS00021 [2,0,0,0,0,0|1,1,0]=4 58 B9R1.3 Cc1c(cccc1Cl)N LS11413 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.3 Cc1c(cccc1F)N LS10456 [2,0,0,0,0,0|1,1,0]=4 60 B9R1.3 Cc1c(cccc1F)O LS11582 [2,0,0,0,0,0|1,1,0]=4 61 B9R1.3 Cc1c(cccc1O)N LS11805 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.3 Cc1c(cccc1O)O LS10121 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.3 Cc1c(ccnc1Cl)I LS20852 [2,0,0,0,0,0|1,1,0]=4 64 B9R1.3 Cc1c(cncc1Cl)Cl LS20002 [2,0,0,0,0,0|1,0,0]=3 65 B9R1.3 Cc1cccc(c1C)Br LS11762 [2,0,0,0,0,0|1,1,0]=4 66 B9R1.3 Cc1cccc(c1N)Cl LS10715 [2,0,0,0,0,0|1,0,0]=3 67 B9R1.3 Cc1cccc(c1N)F LS10282 [2,0,0,0,0,0|1,1,0]=4 68 B9R1.3 Cc1cccc(c1O)Cl LS10669 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.3 c1c(c(c(cn1)Cl)Cl)Cl LS20230 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.3 c1c(c(c(cn1)Cl)N)Cl LS20507 [2,0,0,0,0,0|1,0,0]=3 71 B9R1.3 c1cc(c(c(c1)Br)Cl)Cl LS11372 [2,0,0,0,0,0|1,1,0]=4 72 B9R1.3 c1cc(c(c(c1)Br)N)Br LS11641 [2,0,0,0,0,0|0,2,0]=4 73 B9R1.3 c1cc(c(c(c1)Cl)Br)Cl LS11199 [2,0,0,0,0,0|1,0,0]=3 74 B9R1.3 c1cc(c(c(c1)Cl)Cl)O LS11389 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.3 c1cc(c(c(c1)Cl)F)F LS10287 [2,0,0,0,0,0|1,1,0]=4 76 B9R1.3 c1cc(c(c(c1)Cl)F)O LS10395 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.3 c1cc(c(c(c1)Cl)I)N LS10555 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.3 c1cc(c(c(c1)Cl)O)Cl LS10077 [2,0,0,0,0,0|1,0,0]=3 79 B9R1.3 c1cc(c(c(c1)Cl)O)F LS10396 [2,0,0,0,0,0|1,1,0]=4 80 B9R1.3 c1cc(c(c(c1)I)Cl)Cl LS11545 [2,0,0,0,0,0|1,1,0]=4 81 B9R1.3 c1cc(c(c(c1)I)N)Cl LS00034 [2,0,0,0,0,0|0,1,0]=3 82 B9R1.3 c1cc(c(c(c1)O)N)O LS11761 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.3 c1cc(c(c(c1)O)N)O LS11782 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.3 c1nc(c(c(n1)Cl)N)Cl LS20311 [2,0,0,0,0,0|2,0,0]=4 85 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCO LS11243 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.41 COc1ccccc1CCO LS11834 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.81 CNCc1ccc(cc1Cl)Cl LS10751 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.81 c1cc(c(cc1Cl)Cl)CCN LS11233 [1,1,0,0,0,0|0,0,0]=2 89 B11R1.81 c1cc(c(cc1Cl)Cl)CCO LS11244 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.86 CC(=O)Cc1ccccc1Cl LS11256 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.222 CCC(=O)c1ccccc1Cl LS11338 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.72 c1cc(c(c(c1F)Cl)C=O)Cl LS10053 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.156 B(c1c(cccc1Cl)Cl)(O)O LS10938 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)Cl LS11443 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl LS11437 [1,1,0,0,0,0|1,0,1]=4 96 B11R1.156 c1cc(c(c(c1)Cl)[N+](=O)[O-])Cl LS11646 [1,1,0,0,0,0|2,0,0]=4 97 B13R1.3788 c1cc(c(c(c1)Cl)OC(F)(F)F)Cl LS10015 [0,2,0,0,0,0|2,0,0]=4 98 B11R2.10 c1ccc2c(c1)CC(C2)N LS40608 [1,0,0,1,0,0|1,0,0]=3 99 B11R2.10 c1ccc2c(c1)CC(C2)O LS40651 [1,0,0,1,0,0|2,0,0]=4 100 B11R2.20 c1ccc2c(c1)CCCC2 LS40429 [1,0,0,1,0,0|2,0,0]=4 101 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl LS00129 [1,0,0,1,0,0|0,0,2]=4