0 B8R1.2 COc1cccnc1 CM10357 [0,0,0,1,0,0|3,0,0]=4 1 B8R1.5 Cc1c(cccn1)N CM14488 [0,0,0,1,0,0|2,0,1]=4 2 B8R1.5 Cc1cccnc1Cl CM13849 [0,0,0,1,0,0|2,0,1]=4 3 B8R1.5 c1ccc(c(c1)F)Cl CM12138 [0,0,0,1,0,0|2,0,1]=4 4 B8R1.5 c1ccc(c(c1)I)I CM12234 [0,0,0,1,0,0|2,0,1]=4 5 B8R1.5 c1ccc(c(c1)N)Br CM11265 [0,0,0,1,0,0|2,0,1]=4 6 B8R1.5 c1ccc(c(c1)N)I CM11493 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.11 c1csc(c1C=O)Br CM10421 [0,0,0,1,0,0|2,0,1]=4 8 B8R1.11 c1csc(c1CO)Br CM10090 [0,0,0,1,0,0|3,0,0]=4 9 B7R0.4 CC(=O)OC=CCBr CM11056 [1,1,0,0,0,0|2,0,0]=4 10 B7R1.1 c1c(nc[nH]1)C=O CM14068 [1,0,0,1,0,0|2,0,0]=4 11 B7R1.1 c1cc([nH]c1)C=O CM13861 [1,0,0,1,0,0|1,0,0]=3 12 B7R1.3 c1ccnc(c1)Cl CM13847 [1,0,0,1,0,0|2,0,0]=4 13 B7R1.4 Cc1cscc1Br CM10703 [1,0,0,1,0,0|2,0,0]=4 14 B9R1.2 CCc1cccc(c1)Br CM12087 [0,1,0,1,0,0|1,0,0]=3 15 B9R1.2 CCc1cccc(c1)N CM11452 [0,1,0,1,0,0|1,0,0]=3 16 B9R1.2 CNc1cccc(c1)O CM10115 [0,1,0,1,0,0|1,0,1]=4 17 B9R1.2 COc1cc(ccn1)Br CM10671 [0,1,0,1,0,0|2,0,0]=4 18 B9R1.2 CSc1cccc(n1)Br CM10114 [0,1,0,1,0,0|2,0,0]=4 19 B9R1.2 Cc1cccc(c1)CF CM13445 [0,1,0,1,0,0|2,0,0]=4 20 B9R1.2 c1cc(cc(c1)I)CBr CM13435 [0,1,0,1,0,0|2,0,0]=4 21 B9R1.2 c1cc(cc(c1)I)CN CM10968 [0,1,0,1,0,0|2,0,0]=4 22 B9R1.8 c1ccc(cc1)CNN CM14002 [0,1,0,1,0,0|2,0,0]=4 23 B9R1.8 c1ccc(cc1)CNO CM10002 [0,1,0,1,0,0|2,0,0]=4 24 B9R1.15 CCc1c(cccn1)Br CM10670 [0,1,0,1,0,0|1,0,0]=3 25 B9R1.15 CNc1ccncc1N CM14025 [0,1,0,1,0,0|2,0,0]=4 26 B9R1.15 COc1cccnc1Br CM14120 [0,1,0,1,0,0|2,0,0]=4 27 B9R1.15 COc1cccnc1N CM10903 [0,1,0,1,0,0|2,0,0]=4 28 B9R1.15 COc1cnccc1N CM10329 [0,1,0,1,0,0|2,0,0]=4 29 B9R1.15 CSc1ccccc1I CM11822 [0,1,0,1,0,0|1,0,1]=4 30 B9R1.15 Cc1ccncc1C=O CM10260 [0,1,0,1,0,0|0,0,1]=3 31 B9R1.15 c1ccc(c(c1)C=O)I CM11995 [0,1,0,1,0,0|0,0,2]=4 32 B9R1.15 c1ccc(c(c1)CBr)Cl CM13308 [0,1,0,1,0,0|1,0,1]=4 33 B9R1.15 c1ccc(c(c1)CCl)F CM13406 [0,1,0,1,0,0|1,0,1]=4 34 B9R1.15 c1ccc(c(c1)CN)F CM13538 [0,1,0,1,0,0|1,0,1]=4 35 B9R1.69 Cc1cc(ccc1Br)Br CM13950 [0,1,0,1,0,0|1,0,1]=4 36 B9R1.69 Cc1cc(ccc1Br)I CM13933 [0,1,0,1,0,0|1,0,1]=4 37 B9R1.69 Cc1cc(ccc1Cl)I CM13944 [0,1,0,1,0,0|1,0,1]=4 38 B9R1.69 Cc1cc(ccc1F)N CM11467 [0,1,0,1,0,0|1,0,1]=4 39 B9R1.69 Cc1cc(ccc1F)O CM11763 [0,1,0,1,0,0|1,0,1]=4 40 B9R1.69 Cc1cc(ccc1N)Br CM11319 [0,1,0,1,0,0|1,0,1]=4 41 B9R1.69 Cc1cc(ccc1O)F CM11762 [0,1,0,1,0,0|0,0,2]=4 42 B9R1.69 Cc1ccc(c(c1)Br)C CM12247 [0,1,0,1,0,0|1,0,1]=4 43 B9R1.69 Cc1ccc(c(c1)C)Br CM12246 [0,1,0,1,0,0|1,0,1]=4 44 B9R1.69 Cc1ccc(c(c1)C)Cl CM12249 [0,1,0,1,0,0|1,0,1]=4 45 B9R1.69 Cc1ccc(cc1Br)N CM11318 [0,1,0,1,0,0|1,0,1]=4 46 B9R1.69 Cc1ccc(cc1Br)O CM10192 [0,1,0,1,0,0|1,0,1]=4 47 B9R1.69 Cc1ccc(cc1C)Cl CM12251 [0,1,0,1,0,0|1,0,1]=4 48 B9R1.69 Cc1ccc(cc1C)F CM12256 [0,1,0,1,0,0|1,0,1]=4 49 B9R1.69 Cc1ccc(cc1Cl)F CM13940 [0,1,0,1,0,0|1,0,1]=4 50 B9R1.69 Cc1ccc(cc1F)Br CM13928 [0,1,0,1,0,0|1,0,1]=4 51 B9R1.69 Cc1ccc(cc1F)Cl CM13941 [0,1,0,1,0,0|1,0,1]=4 52 B9R1.69 Cc1ccc(cc1F)F CM13955 [0,1,0,1,0,0|1,0,1]=4 53 B9R1.69 Cc1ccc(cc1F)I CM13959 [0,1,0,1,0,0|1,0,1]=4 54 B9R1.69 Cc1ccc(cc1F)N CM11465 [0,1,0,1,0,0|1,0,1]=4 55 B9R1.69 Cc1ccc(cc1N)O CM11593 [0,1,0,1,0,0|1,0,1]=4 56 B9R1.69 Cc1ccc(cc1O)F CM11764 [0,1,0,1,0,0|0,0,2]=4 57 B9R1.69 Cc1ccc(cc1O)N CM11597 [0,1,0,1,0,0|0,0,2]=4 58 B9R1.69 Cc1ccc(cc1O)O CM10187 [0,1,0,1,0,0|0,0,2]=4 59 B9R1.69 Cn1cc(ccc1=O)N CM10159 [0,1,0,1,0,0|1,0,0]=3 60 B9R1.69 Cn1ccc(cc1=O)Br CM10360 [0,1,0,1,0,0|1,0,0]=3 61 B9R1.69 Cn1ccc(cc1=O)I CM10196 [0,1,0,1,0,0|1,0,0]=3 62 B9R1.1 CCc1ccc(cc1)F CM10050 [0,1,0,1,0,0|1,0,0]=3 63 B9R1.1 CCc1ccc(cn1)Br CM10444 [0,1,0,1,0,0|1,0,0]=3 64 B9R1.1 CCc1ncc(cn1)Br CM10686 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.1 CNc1ccc(cc1)I CM11495 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.1 COc1ccc(cc1)F CM11749 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.1 c1cc(ccc1C=O)F CM11946 [0,1,0,1,0,0|0,0,2]=4 68 B9R1.1 c1cc(ccc1C=O)I CM11996 [0,1,0,1,0,0|0,0,2]=4 69 B9R1.1 c1cc(ccc1CCl)F CM13407 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.1 c1cc(ccc1CO)F CM13405 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.1 c1cc(ccc1CO)N CM13264 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.1 c1cc(ncc1C=O)Br CM13843 [0,1,0,1,0,0|1,0,1]=4 73 B9R1.3 Cc1c(cccc1Br)F CM13926 [0,1,0,1,0,0|1,0,1]=4 74 B9R1.3 Cc1c(cccc1Br)N CM11317 [0,1,0,1,0,0|1,0,1]=4 75 B9R1.3 Cc1c(cccc1Cl)N CM11377 [0,1,0,1,0,0|1,0,1]=4 76 B9R1.3 Cc1c(cccc1F)F CM13956 [0,1,0,1,0,0|1,0,1]=4 77 B9R1.3 Cc1c(cccc1F)N CM11464 [0,1,0,1,0,0|1,0,1]=4 78 B9R1.3 Cc1c(cccc1F)O CM11760 [0,1,0,1,0,0|0,0,2]=4 79 B9R1.3 Cc1c(cccc1I)Cl CM13945 [0,1,0,1,0,0|1,0,1]=4 80 B9R1.3 Cc1cccc(c1Br)Cl CM10337 [0,1,0,1,0,0|1,0,1]=4 81 B9R1.3 Cc1cccc(c1Br)N CM11315 [0,1,0,1,0,0|1,0,1]=4 82 B9R1.3 Cc1cccc(c1C)Br CM12245 [0,1,0,1,0,0|1,0,1]=4 83 B9R1.3 Cc1cccc(c1C)Cl CM12248 [0,1,0,1,0,0|1,0,1]=4 84 B9R1.3 Cc1cccc(c1C)F CM12253 [0,1,0,1,0,0|1,0,1]=4 85 B9R1.3 Cc1cccc(c1Cl)C CM12250 [0,1,0,1,0,0|1,0,1]=4 86 B9R1.3 Cc1cccc(c1F)Br CM13927 [0,1,0,1,0,0|1,0,1]=4 87 B9R1.3 Cc1cccc(c1F)C CM12254 [0,1,0,1,0,0|1,0,1]=4 88 B9R1.3 Cc1cccc(c1F)Cl CM14017 [0,1,0,1,0,0|1,0,1]=4 89 B9R1.3 Cc1cccc(c1F)F CM13954 [0,1,0,1,0,0|1,0,1]=4 90 B9R1.3 Cc1cccc(c1F)N CM11462 [0,1,0,1,0,0|1,0,1]=4 91 B9R1.3 Cc1cccc(c1F)O CM11757 [0,1,0,1,0,0|1,0,1]=4 92 B9R1.3 Cc1cccc(c1I)O CM10210 [0,1,0,1,0,0|1,0,1]=4 93 B9R1.3 Cc1cccc(c1N)Br CM11316 [0,1,0,1,0,0|1,0,1]=4 94 B9R1.3 Cc1cccc(c1N)N CM13949 [0,1,0,1,0,0|1,0,1]=4 95 B9R1.3 Cc1cccc(c1N)O CM11590 [0,1,0,1,0,0|1,0,1]=4 96 B9R1.3 Cc1cccc(c1O)C CM11741 [0,1,0,1,0,0|0,0,2]=4 97 B9R1.3 Cc1cccc(c1O)F CM11759 [0,1,0,1,0,0|0,0,2]=4 98 B9R1.3 Cn1c(=O)cccc1Br CM10359 [0,1,0,1,0,0|1,0,0]=3 99 B9R1.3 Cn1cccc(c1=O)Br CM10262 [0,1,0,1,0,0|1,0,0]=3