0 B9R1.35 Cn1cc(nc1)C(=O)O CM14072 [1,0,0,0,0,0|2,0,0]=3 1 B9R1.35 Cn1ccc(c1)C(=O)O CM10465 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl CM11181 [0,0,0,0,0,1|3,0,0]=4 3 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F CM11161 [0,0,0,0,0,1|3,0,0]=4 4 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl CM11164 [0,0,0,0,0,1|3,0,0]=4 5 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl CM11123 [0,0,0,0,0,1|3,0,0]=4 6 B11R1.21 Cc1cc(ccc1Cl)C(=O)Cl CM12596 [0,0,0,0,0,1|2,0,0]=3 7 B11R1.21 Cc1cc(ccc1F)C(=O)C CM11205 [0,0,0,0,0,1|2,1,0]=4 8 B11R1.21 Cc1cc(ccc1O)C(=O)O CM12806 [0,0,0,0,0,1|2,0,0]=3 9 B11R1.21 Cc1ccc(cc1Br)C(=O)O CM12535 [0,0,0,0,0,1|1,1,0]=3 10 B11R1.21 Cc1ccc(cc1F)C(=O)O CM12766 [0,0,0,0,0,1|1,1,0]=3 11 B11R1.21 Cc1ccc(cc1I)C(=O)Cl CM12824 [0,0,0,0,0,1|2,1,0]=4 12 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O CM14315 [0,0,0,0,0,1|2,0,0]=3 13 B11R1.21 c1cc(c(cc1C(=O)Cl)F)Cl CM12579 [0,0,0,0,0,1|3,0,0]=4 14 B11R1.21 c1cc(c(cc1C(=O)O)Br)Br CM12638 [0,0,0,0,0,1|2,1,0]=4 15 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl CM12462 [0,0,0,0,0,1|2,0,0]=3 16 B11R1.21 c1cc(c(cc1C(=O)O)Br)I CM12518 [0,0,0,0,0,1|2,1,0]=4 17 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br CM12465 [0,0,0,0,0,1|2,0,0]=3 18 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F CM12575 [0,0,0,0,0,1|2,0,0]=3 19 B11R1.21 c1cc(c(cc1C(=O)O)F)Br CM12500 [0,0,0,0,0,1|2,1,0]=4 20 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl CM12578 [0,0,0,0,0,1|2,0,0]=3 21 B11R1.21 c1cc(c(cc1C(=O)O)F)F CM12108 [0,0,0,0,0,1|2,1,0]=4 22 B11R1.21 c1cc(c(cc1C(=O)O)F)I CM12739 [0,0,0,0,0,1|2,1,0]=4 23 B11R1.21 c1cc(c(cc1C(=O)O)F)N CM12407 [0,0,0,0,0,1|2,1,0]=4 24 B11R1.21 c1cc(c(cc1C(=O)O)F)O CM12721 [0,0,0,0,0,1|2,1,0]=4 25 B11R1.21 c1cc(c(cc1C(=O)O)I)Br CM10859 [0,0,0,0,0,1|2,1,0]=4 26 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl CM10858 [0,0,0,0,0,1|2,0,0]=3 27 B11R1.21 c1cc(c(cc1C(=O)O)I)F CM10861 [0,0,0,0,0,1|2,1,0]=4 28 B11R1.21 c1cc(c(cc1C(=O)O)I)I CM10862 [0,0,0,0,0,1|2,1,0]=4 29 B11R1.21 c1cc(c(cc1C(=O)O)I)N CM12419 [0,0,0,0,0,1|2,1,0]=4 30 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl CM12360 [0,0,0,0,0,1|2,0,0]=3 31 B11R1.21 c1cc(c(cc1C(=O)O)N)N CM13996 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.21 c1cc(c(cc1C(=O)O)O)F CM12724 [0,0,0,0,0,1|2,1,0]=4 33 B11R1.21 c1cc(c(cc1C(=O)O)O)I CM12805 [0,0,0,0,0,1|2,1,0]=4 34 B11R1.21 c1cc(c(cc1C(=O)O)O)N CM12417 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl CM11182 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F CM11162 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.74 Cc1cc(cc(c1)C(=O)O)C CM12703 [0,0,0,0,0,1|2,0,0]=3 38 B11R1.74 Cc1cc(cc(c1)Cl)[N+](=O)[O-] CM13948 [0,0,0,0,0,1|2,0,1]=4 39 B11R1.74 Cc1cc(cc(c1)N)C(=O)O CM12429 [0,0,0,0,0,1|2,0,0]=3 40 B11R1.74 c1c(cc(cc1Br)I)C(=O)O CM12519 [0,0,0,0,0,1|2,1,0]=4 41 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O CM12463 [0,0,0,0,0,1|2,0,0]=3 42 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O CM12642 [0,0,0,0,0,1|2,0,0]=3 43 B11R1.74 c1c(cc(cc1Cl)I)C(=O)O CM12587 [0,0,0,0,0,1|2,0,0]=3 44 B11R1.74 c1c(cc(cc1F)Br)C(=O)O CM12495 [0,0,0,0,0,1|2,1,0]=4 45 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O CM12576 [0,0,0,0,0,1|2,0,0]=3 46 B11R1.74 c1c(cc(cc1F)F)C(=O)O CM12663 [0,0,0,0,0,1|2,1,0]=4 47 B11R1.74 c1c(cc(cc1F)I)C(=O)O CM12740 [0,0,0,0,0,1|2,1,0]=4 48 B11R1.74 c1c(cc(cc1I)I)C(=O)O CM12694 [0,0,0,0,0,1|2,1,0]=4 49 B11R1.74 c1c(cc(cc1N)F)C(=O)O CM12403 [0,0,0,0,0,1|2,1,0]=4 50 B11R1.74 c1c(cc(cc1N)N)C(=O)O CM12634 [0,0,0,0,0,1|3,0,0]=4 51 B11R1.74 c1c(cc(cc1O)Br)C(=O)O CM10203 [0,0,0,0,0,1|2,1,0]=4 52 B11R1.74 c1c(cc(cc1O)I)C(=O)O CM10387 [0,0,0,0,0,1|2,1,0]=4 53 B8R1.7 B(c1cccs1)(O)O CM13586 [2,0,0,0,0,0|1,0,1]=4 54 B8R1.7 c1c(nc[nH]1)C(=O)O CM14067 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.7 c1cn[nH]c1C(=O)O CM11038 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.48 COc1ccc(cc1F)C(=O)O CM12750 [0,1,0,0,0,1|1,1,0]=4 57 B12R1.48 Cc1cc(ccc1C#N)C(=O)O CM12630 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.56 CCc1cc(ccc1N)C(=O)O CM12392 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.56 COc1cc(ccc1Br)C(=O)O CM12524 [0,1,0,0,0,1|1,1,0]=4 60 B12R1.56 COc1cc(ccc1Cl)C(=O)O CM12590 [0,1,0,0,0,1|1,0,0]=3 61 B12R1.56 COc1cc(ccc1F)C(=O)O CM12753 [0,1,0,0,0,1|1,1,0]=4 62 B12R1.56 COc1cc(ccc1N)C(=O)O CM12425 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)O CM12509 [0,1,0,0,0,1|1,1,0]=4 64 B12R1.232 Cc1cc(c(cc1C(=O)O)Br)C CM10198 [0,1,0,0,0,1|1,1,0]=4 65 B12R1.232 Cc1cc(c(cc1C)N)C(=O)O CM12386 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)O CM12506 [0,1,0,0,0,1|1,1,0]=4 67 B12R1.232 Cc1cc(c(cc1F)C(=O)O)Br CM12508 [0,1,0,0,0,1|1,1,0]=4 68 B12R1.232 Cc1cc(c(cc1I)C(=O)O)O CM12804 [0,1,0,0,0,1|1,1,0]=4 69 B12R1.232 Cc1cc(c(cc1O)C(=O)O)F CM12728 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.232 c1c(c(cc(c1Br)Cl)F)C(=O)O CM12468 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.232 c1c(c(cc(c1Cl)Cl)N)C(=O)O CM12368 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.232 c1c(c(cc(c1Cl)F)F)C(=O)O CM12570 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O CM12644 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)O CM12568 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.232 c1c(c(cc(c1N)Cl)Cl)C(=O)O CM12371 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.367 Cc1c(ncc(n1)C(=O)OC)Cl CM10047 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.893 Cc1c(c(ccc1C(=O)O)N)C CM12387 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O CM12384 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)F CM12643 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.893 c1cc(c(c(c1C(=O)O)F)Cl)F CM12565 [0,1,0,0,0,1|2,0,0]=4 81 B12R1.1005 Cc1c(cc(cc1F)C(=O)O)N CM12412 [0,1,0,0,0,1|1,1,0]=4 82 B12R1.1005 Cc1c(cc(cc1F)C(=O)O)O CM12729 [0,1,0,0,0,1|1,1,0]=4 83 B12R1.1005 Cc1cc(cc(c1Br)C)C(=O)O CM12485 [0,1,0,0,0,1|1,1,0]=4 84 B12R1.1005 Cc1cc(cc(c1F)F)C(=O)O CM10075 [0,1,0,0,0,1|1,1,0]=4 85 B12R1.1005 Cc1cc(cc(c1N)C)C(=O)O CM12390 [0,1,0,0,0,1|2,0,0]=4 86 B12R1.1005 c1c(cc(c(c1Cl)Cl)Cl)C(=O)O CM12870 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.1005 c1c(cc(c(c1Cl)F)Cl)C(=O)O CM12649 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.1005 c1c(cc(c(c1Cl)N)Cl)C(=O)O CM12370 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.1005 c1c(cc(c(c1F)F)Cl)C(=O)O CM10074 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.11 COc1cc(cc(c1)Cl)C(=O)O CM10215 [0,1,0,0,0,1|1,0,0]=3 91 B12R1.11 COc1cc(cc(c1)I)C(=O)O CM10399 [0,1,0,0,0,1|1,1,0]=4 92 B12R1.11 COc1cc(cc(c1)N)C(=O)O CM10398 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.11 Cc1cc(cc(c1)C(=O)O)C#N CM12628 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.358 Cc1cc(cc(n1)Cl)C(=O)OC CM11010 [0,1,0,0,0,1|1,0,0]=3 95 B12R1.511 Cc1cc(c(c(c1)C(=O)O)N)C CM12385 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.511 Cc1cc(c(c(c1)F)F)C(=O)O CM12681 [0,1,0,0,0,1|1,1,0]=4 97 B12R1.511 c1c(cc(c(c1C(=O)O)F)Cl)Cl CM12648 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.511 c1c(cc(c(c1C(=O)O)O)Cl)Cl CM12653 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.113 c1cc(nc(c1)Cl)C(=O)O CM10033 [0,0,1,1,0,0|1,0,1]=4 100 B10R1.118 Cc1cc(c(cc1Cl)Cl)S CM11818 [0,0,1,1,0,0|2,0,0]=4 101 B10R1.8 Cc1cc(cc(c1)Cl)C=O CM11896 [1,0,0,0,0,1|1,0,0]=3 102 B10R1.8 Cc1cc(cc(c1)F)C=O CM11973 [1,0,0,0,0,1|1,1,0]=4 103 B10R1.8 Cc1cc(cc(c1)O)C=O CM10898 [1,0,0,0,0,1|2,0,0]=4 104 B10R1.8 c1c(cc(cc1Cl)Br)C=O CM11828 [1,0,0,0,0,1|2,0,0]=4 105 B10R1.8 c1c(cc(cc1F)Cl)C=O CM11880 [1,0,0,0,0,1|2,0,0]=4 106 B12R1.19 Cc1ccc(cc1C)CC(=O)O CM13697 [0,0,0,0,0,2|2,0,0]=4 107 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl CM13673 [0,0,0,0,0,2|2,0,0]=4 108 B12R1.101 Cc1cc(cc(c1)CC(=O)O)C CM13698 [0,0,0,0,0,2|2,0,0]=4 109 B12R1.101 c1c(cc(cc1F)Cl)CC(=O)O CM13667 [0,0,0,0,0,2|2,0,0]=4