0 B9R1.8 c1ccc(cc1)CNN CM14002 [1,0,0,0,0,0|3,0,0]=4 1 B9R1.8 c1ccc(cc1)CNO CM10002 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.20 CC(=O)Cc1ccc(cc1)Cl CM10951 [0,1,0,0,0,0|1,0,0]=2 3 B11R1.20 CC(=O)Cc1ccc(cc1)F CM10927 [0,1,0,0,0,0|1,0,0]=2 4 B11R1.20 CC(=O)Oc1ccc(cc1)F CM12027 [0,1,0,0,0,0|0,0,0]=1 5 B11R1.20 CC(C)Cc1ccc(cc1)Br CM12109 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.20 CC(C)Oc1ccc(cc1)N CM11503 [0,1,0,0,0,0|1,0,1]=3 7 B11R1.20 c1cc(ccc1CC(=O)O)F CM13704 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.20 c1cc(ccc1F)[ClH]C(=O)[O-] CM13921 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.20 c1cc(ccc1[ClH]C(=O)[O-])Br CM13923 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.86 CC(=O)Cc1ccccc1Cl CM10944 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.86 CC(=O)Cc1ccccc1F CM10960 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.157 Cc1cccc(c1)CC(=O)O CM13725 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.157 c1cc(cc(c1)F)CC(=O)O CM13703 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.157 c1cc(cc(c1)I)CC(=O)O CM13719 [0,1,0,0,0,0|2,0,0]=3 15 B11R2.10 Cc1cn2ccccc2n1 CM10614 [0,0,0,1,0,0|3,0,0]=4 16 B11R2.10 c1ccc2c(c1)CN(C2)N CM10313 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.6 c1cc(c[nH+]c1)C(=N)N CM13840 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.6 c1ccnc(c1)C(=N)N CM13839 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.6 c1cncnc1C(=O)O CM10263 [0,0,0,0,1,0|3,0,0]=4 20 B11R1.91 CC(=O)COc1ccccc1 CM11227 [0,0,0,0,0,1|0,0,0]=1 21 B8R1.2 COc1cccnc1 CM10357 [2,0,0,0,0,0|1,0,0]=3 22 B10R1.1 c1cc(ccc1N=C=O)F CM13772 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.4 CCOc1cnccc1N CM10330 [1,1,0,0,0,0|1,0,1]=4 24 B10R1.15 CCC(C)c1ccccc1 CM12120 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.13 CC(=C)c1ccc(cc1)O CM10479 [0,1,0,0,1,0|1,0,0]=3 26 B10R1.13 CC(=O)c1ccc(cc1)Cl CM11155 [0,1,0,0,1,0|0,0,0]=2 27 B10R1.13 CC(=O)c1ccc(cc1)F CM11198 [0,1,0,0,1,0|0,0,0]=2 28 B10R1.13 CC(=O)c1ccc(cc1)I CM11220 [0,1,0,0,1,0|0,0,0]=2 29 B10R1.13 CC(=O)c1ccc(nc1)Cl CM11170 [0,1,0,0,1,0|1,0,0]=3 30 B10R1.13 CC(c1ccc(cc1)Cl)N CM13559 [0,1,0,0,1,0|1,0,1]=4 31 B10R1.13 CN(C)c1ccc(cc1)Cl CM11355 [0,1,0,0,1,0|2,0,0]=4 32 B10R1.13 CN(C)c1ccc(cc1)O CM10392 [0,1,0,0,1,0|2,0,0]=4 33 B10R1.13 Cc1ccc(cc1)C(=O)C CM10006 [0,1,0,0,1,0|0,0,0]=2 34 B10R1.13 Cc1ccc(cc1)C(=O)N CM13184 [0,1,0,0,1,0|1,0,0]=3 35 B10R1.13 c1cc(ccc1C(=O)Cl)Br CM12451 [0,1,0,0,1,0|1,0,0]=3 36 B10R1.13 c1cc(ccc1C(=O)Cl)F CM12712 [0,1,0,0,1,0|1,0,0]=3 37 B10R1.13 c1cc(ccc1C(=O)Cl)I CM12820 [0,1,0,0,1,0|1,0,0]=3 38 B10R1.13 c1cc(ccc1C(=O)N)F CM13176 [0,1,0,0,1,0|1,0,0]=3 39 B10R1.13 c1cc(ccc1C(=O)O)F CM12711 [0,1,0,0,1,0|1,0,0]=3 40 B10R1.13 c1cc(ccc1C(=O)O)I CM12819 [0,1,0,0,1,0|1,0,0]=3 41 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br CM12110 [0,1,0,0,1,0|2,0,0]=4 42 B10R1.13 c1cc(ccc1[N+](=O)[O-])F CM12273 [0,1,0,0,1,0|2,0,0]=4 43 B10R1.13 c1cc(ncc1C(=O)O)N CM10961 [0,1,0,0,1,0|2,0,0]=4 44 B10R1.13 c1cc(ncc1F)C(=O)O CM14030 [0,1,0,0,1,0|2,0,0]=4 45 B10R1.13 c1cc(ncc1I)C(=O)O CM10490 [0,1,0,0,1,0|2,0,0]=4 46 B10R1.61 CC(=O)c1ccccc1Br CM11134 [0,1,0,0,1,0|0,0,0]=2 47 B10R1.61 CC(=O)c1ccccc1I CM11218 [0,1,0,0,1,0|0,0,0]=2 48 B10R1.61 CC(C)c1ccccc1Br CM12111 [0,1,0,0,1,0|1,0,1]=4 49 B10R1.61 CN(C)c1ccccc1F CM11439 [0,1,0,0,1,0|2,0,0]=4 50 B10R1.61 c1ccc(c(c1)C(=O)N)I CM13180 [0,1,0,0,1,0|1,0,0]=3 51 B10R1.61 c1ccc(c(c1)C(=O)O)F CM12709 [0,1,0,0,1,0|1,0,0]=3 52 B10R1.61 c1ccc(c(c1)C(=O)O)I CM12818 [0,1,0,0,1,0|1,0,0]=3 53 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F CM12272 [0,1,0,0,1,0|2,0,0]=4 54 B10R1.61 c1cncc(c1Br)C(=O)O CM14036 [0,1,0,0,1,0|2,0,0]=4 55 B10R1.113 CC(=O)c1cc(ccn1)Cl CM10835 [0,1,0,0,1,0|1,0,0]=3 56 B10R1.113 CC(=O)c1cccc(c1)F CM11197 [0,1,0,0,1,0|0,0,0]=2 57 B10R1.113 CC(=O)c1cccc(c1)I CM11219 [0,1,0,0,1,0|0,0,0]=2 58 B10R1.113 CC(C)c1cccc(c1)Br CM12107 [0,1,0,0,1,0|1,0,1]=4 59 B10R1.113 CC(c1cccc(c1)F)N CM13557 [0,1,0,0,1,0|1,0,1]=4 60 B10R1.113 CC(c1cccc(c1)F)O CM13506 [0,1,0,0,1,0|0,0,2]=4 61 B10R1.113 Cc1cccc(c1)C(=O)C CM11223 [0,1,0,0,1,0|0,0,0]=2 62 B10R1.113 Cc1cccc(c1)C(=S)O CM12849 [0,1,0,0,1,0|1,0,1]=4 63 B10R1.113 c1c(cncc1Br)C(=O)O CM14037 [0,1,0,0,1,0|2,0,0]=4 64 B10R1.113 c1cc(cc(c1)F)C(=O)O CM12710 [0,1,0,0,1,0|1,0,0]=3 65 B10R1.113 c1cc(cc(c1)N)C(=O)N CM13163 [0,1,0,0,1,0|1,0,0]=3 66 B10R1.113 c1cc(cc(c1)S)C(=O)O CM10051 [0,1,0,0,1,0|1,0,0]=3 67 B10R1.113 c1cc(nc(c1)Cl)C(=O)O CM10033 [0,1,0,0,1,0|2,0,0]=4 68 B10R1.113 c1cnc(cc1C(=O)O)N CM14043 [0,1,0,0,1,0|2,0,0]=4 69 B10R1.113 c1cnc(cc1I)C(=O)O CM10569 [0,1,0,0,1,0|2,0,0]=4 70 B12R1.27 COC(=O)CCc1ccccc1 CM13745 [0,1,0,0,0,1|1,0,0]=3 71 B12R1.107 CC(c1ccccc1)NC(=O)C CM11017 [0,1,0,0,0,1|1,0,0]=3 72 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br CM13747 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O CM13573 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.4 CCc1ccc(cc1)CC(=O)C CM11252 [0,2,0,0,0,0|1,0,0]=3 75 B12R1.4 c1cc(ccc1CC(=O)O)C#N CM13684 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.19 Cc1ccc(cc1C)CC(=O)O CM13697 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.19 c1cc(c(cc1CC(=O)O)Br)O CM13658 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl CM13673 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.19 c1cc(c(cc1CC(=O)O)F)O CM13706 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.49 COC(=O)Cc1ccc(cc1)O CM13716 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.106 CC(C)(C)Oc1ccc(cc1)Br CM12124 [0,2,0,0,0,0|1,0,1]=4 82 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O CM13655 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O CM13670 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.233 c1cc(c(cc1F)F)CC(=O)O CM13690 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.233 c1cc(c(cc1N)F)CC(=O)O CM13648 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.50 COC(=O)Cc1cccc(c1)F CM13702 [0,2,0,0,0,0|1,0,0]=3 87 B12R1.50 COC(=O)Cc1cccc(c1)N CM13647 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.75 c1ccc(c(c1)CC(=O)O)C#N CM13682 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.127 c1cc(c(cc1Br)CC(=O)O)Br CM13689 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.127 c1cc(c(cc1Br)CC(=O)O)F CM10070 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.224 Cc1cccc(c1C)CC(=O)O CM13696 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)F CM13665 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.101 Cc1cc(cc(c1)CC(=O)O)C CM13698 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.101 c1c(cc(cc1F)Cl)CC(=O)O CM13667 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.101 c1c(cc(cc1F)F)CC(=O)O CM13693 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.438 CC(=O)Cc1cccc(c1)OC CM11254 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.438 c1cc(cc(c1)C#N)CC(=O)O CM13683 [0,2,0,0,0,0|2,0,0]=4 98 B10R2.7 c1ccc2c(c1)CNC2 CM10320 [1,0,0,1,0,0|2,0,0]=4 99 B12R2.24 c1ccc2c(c1)[nH]c(=O)cn2 CM14099 [0,0,0,1,0,1|2,0,0]=4 100 B12R2.606 Cc1cc2cc(ccc2[nH]1)Br CM13592 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.606 Cc1cc2cc(ccc2[nH]1)F CM13612 [0,1,0,1,0,0|2,0,0]=4 102 B12R2.606 Cc1cc2ccc(cc2[nH]1)F CM13613 [0,1,0,1,0,0|2,0,0]=4 103 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 CM14289 [0,1,0,1,0,0|1,0,0]=3 104 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 CM14364 [0,1,0,1,0,0|1,0,0]=3 105 B12R2.606 c1cc2c(cc1Br)nc(o2)N CM10622 [0,1,0,1,0,0|2,0,0]=4 106 B12R2.606 c1cc2c(cc1F)NC(=O)C2 CM14302 [0,1,0,1,0,0|1,0,0]=3 107 B12R2.18 Cn1c(=O)c2ccccc2[nH]1 CM10169 [0,1,0,1,0,0|2,0,0]=4 108 B12R2.18 Cn1c2ccccc2oc1=O CM14408 [0,1,0,1,0,0|0,0,0]=2 109 B12R2.32 c1ccc2c(c1)nc(s2)CCl CM14325 [0,1,0,1,0,0|1,1,0]=4 110 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 CM14303 [0,1,0,1,0,0|1,0,0]=3 111 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 CM14308 [0,1,0,1,0,0|1,0,0]=3 112 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 CM14306 [0,1,0,1,0,0|1,0,0]=3 113 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 CM14365 [0,1,0,1,0,0|1,0,0]=3 114 B12R1.252 c1ccc(cc1)COCC(=O)O CM13869 [0,0,0,0,0,2|1,0,0]=3