0 B8R1.11 c1csc(c1C=O)Br CM10421 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.1 c1c(nc[nH]1)C=O CM14068 [1,0,0,0,0,0|1,0,1]=3 2 B7R1.1 c1cc([nH]c1)C=O CM13861 [1,0,0,0,0,0|0,0,0]=1 3 B7R1.4 Cc1cscc1Br CM10703 [1,0,0,0,0,0|3,0,0]=4 4 B7R1.4 Cn1c(cnn1)I CM10199 [1,0,0,0,0,0|3,0,0]=4 5 B7R1.4 Cn1ccnc1Br CM10422 [1,0,0,0,0,0|2,0,0]=3 6 B7R1.4 Cn1ccnc1I CM10200 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.132 c1c(c(c(s1)C=O)Br)Br CM10705 [0,1,0,0,0,0|3,0,0]=4 8 B9R1.2 Cc1cccc(c1)CF CM13445 [0,0,0,0,0,1|2,0,1]=4 9 B9R1.15 Cc1ccncc1C=O CM10260 [0,0,0,0,0,1|1,0,0]=2 10 B9R1.15 c1ccc(c(c1)C=O)I CM11995 [0,0,0,0,0,1|2,0,0]=3 11 B6R1.2 Cn1cnnc1 CM10040 [2,0,0,0,0,0|2,0,0]=4 12 B6R1.2 c1ccn(c1)N CM14097 [2,0,0,0,0,0|1,0,0]=3 13 B6R1.2 c1co[nH]c1=O CM10160 [2,0,0,0,0,0|1,0,0]=3 14 B8R1.7 c1c(nc[nH]1)C(=O)O CM14067 [1,1,0,0,0,0|1,0,1]=4 15 B8R1.7 c1cn[nH]c1C(=O)O CM11038 [1,1,0,0,0,0|1,0,0]=3 16 B10R1.2 Cc1c(cccc1Cl)C=O CM11895 [0,1,0,0,0,1|2,0,0]=4 17 B10R1.2 Cc1c(cccc1F)C=O CM11971 [0,1,0,0,0,1|2,0,0]=4 18 B10R1.2 Cc1cccc(c1Cl)C=O CM11894 [0,1,0,0,0,1|1,0,0]=3 19 B10R1.2 Cc1cccc(c1F)C=O CM11968 [0,1,0,0,0,1|1,0,0]=3 20 B10R1.2 c1cc(c(c(c1)Br)Br)C=O CM14314 [0,1,0,0,0,1|2,0,0]=4 21 B10R1.2 c1cc(c(c(c1)Br)F)C=O CM11840 [0,1,0,0,0,1|2,0,0]=4 22 B10R1.2 c1cc(c(c(c1)Br)O)C=O CM11851 [0,1,0,0,0,1|2,0,0]=4 23 B10R1.2 c1cc(c(c(c1)Cl)Br)C=O CM10328 [0,1,0,0,0,1|2,0,0]=4 24 B10R1.2 c1cc(c(c(c1)Cl)F)C=O CM11878 [0,1,0,0,0,1|2,0,0]=4 25 B10R1.2 c1cc(c(c(c1)Cl)O)C=O CM11885 [0,1,0,0,0,1|2,0,0]=4 26 B10R1.2 c1cc(c(c(c1)F)Cl)C=O CM11875 [0,1,0,0,0,1|2,0,0]=4 27 B10R1.2 c1cc(c(c(c1)F)F)C=O CM10129 [0,1,0,0,0,1|2,0,0]=4 28 B10R1.2 c1cc(c(c(c1)F)I)C=O CM11954 [0,1,0,0,0,1|2,0,0]=4 29 B10R1.2 c1cc(c(c(c1)F)O)C=O CM10374 [0,1,0,0,0,1|2,0,0]=4 30 B10R1.2 c1cc(c(c(c1)O)F)C=O CM10470 [0,1,0,0,0,1|2,0,0]=4 31 B10R1.8 Cc1cc(cc(c1)Cl)C=O CM11896 [0,1,0,0,0,1|1,0,0]=3 32 B10R1.8 Cc1cc(cc(c1)F)C=O CM11973 [0,1,0,0,0,1|1,0,0]=3 33 B10R1.8 Cc1cc(cc(c1)O)C=O CM10898 [0,1,0,0,0,1|1,0,0]=3 34 B10R1.8 c1c(cc(cc1Cl)Br)C=O CM11828 [0,1,0,0,0,1|2,0,0]=4 35 B10R1.8 c1c(cc(cc1F)Br)C=O CM11841 [0,1,0,0,0,1|2,0,0]=4 36 B10R1.8 c1c(cc(cc1F)Cl)C=O CM11880 [0,1,0,0,0,1|2,0,0]=4 37 B10R1.8 c1c(cc(cc1F)F)C=O CM11933 [0,1,0,0,0,1|2,0,0]=4 38 B10R1.8 c1c(cc(cc1F)I)C=O CM11956 [0,1,0,0,0,1|2,0,0]=4 39 B10R1.8 c1c(cc(cc1O)F)C=O CM10919 [0,1,0,0,0,1|2,0,0]=4 40 B10R1.30 Cc1ccc(c(c1)C=O)F CM11970 [0,1,0,0,0,1|1,0,0]=3 41 B10R1.30 Cc1ccc(cc1C=O)Br CM11858 [0,1,0,0,0,1|2,0,0]=4 42 B10R1.30 Cc1ccc(cc1C=O)F CM11975 [0,1,0,0,0,1|2,0,0]=4 43 B10R1.30 c1cc(c(cc1Br)C=O)Cl CM11830 [0,1,0,0,0,1|2,0,0]=4 44 B10R1.30 c1cc(c(cc1Br)C=O)F CM11844 [0,1,0,0,0,1|2,0,0]=4 45 B10R1.30 c1cc(c(cc1Br)C=O)I CM11855 [0,1,0,0,0,1|2,0,0]=4 46 B10R1.30 c1cc(c(cc1Cl)C=O)Br CM14485 [0,1,0,0,0,1|2,0,0]=4 47 B10R1.30 c1cc(c(cc1Cl)C=O)N CM11824 [0,1,0,0,0,1|2,0,0]=4 48 B10R1.30 c1cc(c(cc1F)C=O)Br CM11838 [0,1,0,0,0,1|2,0,0]=4 49 B10R1.30 c1cc(c(cc1F)C=O)Cl CM11877 [0,1,0,0,0,1|2,0,0]=4 50 B10R1.30 c1cc(c(cc1F)C=O)F CM11930 [0,1,0,0,0,1|2,0,0]=4 51 B10R1.30 c1cc(c(cc1F)C=O)I CM11958 [0,1,0,0,0,1|2,0,0]=4 52 B10R1.30 c1cc(c(cc1F)C=O)O CM11952 [0,1,0,0,0,1|2,0,0]=4 53 B10R1.30 c1cc(c(cc1O)C=O)F CM10372 [0,1,0,0,0,1|2,0,0]=4 54 B10R1.113 CC(=O)c1cccc(c1)F CM11197 [0,1,0,0,0,1|2,0,0]=4 55 B10R1.113 CC(=O)c1cccc(c1)I CM11219 [0,1,0,0,0,1|2,0,0]=4 56 B10R1.113 Cc1cccc(c1)C(=O)C CM11223 [0,1,0,0,0,1|1,0,0]=3 57 B10R1.113 Cc1cccc(c1)C(=S)O CM12849 [0,1,0,0,0,1|1,0,1]=4 58 B10R1.113 Cc1cncc(n1)C(=O)O CM14090 [0,1,0,0,0,1|2,0,0]=4 59 B10R1.113 c1cc(cc(c1)F)C(=O)O CM12710 [0,1,0,0,0,1|2,0,0]=4 60 B10R1.113 c1cc(cc(c1)N)C(=O)N CM13163 [0,1,0,0,0,1|2,0,0]=4 61 B10R1.113 c1cc(cc(c1)S)C(=O)O CM10051 [0,1,0,0,0,1|2,0,0]=4 62 B10R1.113 c1cc(nc(c1)Cl)C(=O)O CM10033 [0,1,0,0,0,1|2,0,0]=4 63 B10R1.172 COc1ccnc(c1)C=O CM10390 [0,1,0,0,0,1|2,0,0]=4 64 B10R1.172 c1cc(nc(c1)C=O)C=O CM14110 [0,1,0,0,0,1|1,0,1]=4 65 B10R1.176 Cc1cc(ccc1Cl)C=O CM11897 [0,1,0,0,0,1|1,0,0]=3 66 B10R1.176 Cc1cc(ccc1O)C=O CM11993 [0,1,0,0,0,1|1,0,0]=3 67 B10R1.176 Cc1cc(cnc1O)C=O CM10161 [0,1,0,0,0,1|2,0,0]=4 68 B10R1.176 Cc1ccc(cc1C)C=O CM11941 [0,1,0,0,0,1|1,0,0]=3 69 B10R1.176 Cc1ccc(cc1F)C=O CM11972 [0,1,0,0,0,1|2,0,0]=4 70 B10R1.176 c1cc(c(cc1C=O)Br)O CM11852 [0,1,0,0,0,1|2,0,0]=4 71 B10R1.176 c1cc(c(cc1C=O)Cl)F CM11879 [0,1,0,0,0,1|2,0,0]=4 72 B10R1.176 c1cc(c(cc1C=O)F)Br CM11843 [0,1,0,0,0,1|2,0,0]=4 73 B10R1.176 c1cc(c(cc1C=O)F)Cl CM11882 [0,1,0,0,0,1|2,0,0]=4 74 B10R1.176 c1cc(c(cc1C=O)F)F CM11932 [0,1,0,0,0,1|2,0,0]=4 75 B10R1.176 c1cc(c(cc1C=O)F)I CM11955 [0,1,0,0,0,1|2,0,0]=4 76 B10R1.176 c1cc(c(cc1C=O)F)O CM11950 [0,1,0,0,0,1|2,0,0]=4 77 B10R1.176 c1cc(c(cc1C=O)I)Br CM10864 [0,1,0,0,0,1|2,0,0]=4 78 B10R1.176 c1cc(c(cc1C=O)I)Cl CM10865 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.176 c1cc(c(cc1C=O)I)F CM10860 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.176 c1cc(c(cc1C=O)I)I CM10863 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.176 c1cc(c(cc1C=O)O)Br CM11854 [0,1,0,0,0,1|2,0,0]=4 82 B10R1.176 c1cc(c(cc1C=O)O)O CM13991 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.25 Cc1cc(ccc1C=O)F CM11974 [0,1,0,0,0,1|1,0,0]=3 84 B10R1.25 Cc1cc(ccc1C=O)O CM11992 [0,1,0,0,0,1|1,0,0]=3 85 B10R1.25 Cc1ccc(c(c1)F)C=O CM11969 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.25 c1cc(c(cc1Br)Br)C=O CM11917 [0,1,0,0,0,1|2,0,0]=4 87 B10R1.25 c1cc(c(cc1Br)Cl)C=O CM11829 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.25 c1cc(c(cc1Br)F)C=O CM11842 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.25 c1cc(c(cc1Br)O)C=O CM11853 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.25 c1cc(c(cc1Cl)F)C=O CM11881 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.25 c1cc(c(cc1Cl)O)C=O CM11886 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.25 c1cc(c(cc1F)Br)C=O CM11837 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.25 c1cc(c(cc1F)Cl)C=O CM11876 [0,1,0,0,0,1|2,0,0]=4 94 B10R1.25 c1cc(c(cc1F)F)C=O CM11929 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.25 c1cc(c(cc1F)N)C=O CM11825 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.25 c1cc(c(cc1F)O)C=O CM11951 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.25 c1cc(c(cc1I)F)C=O CM11953 [0,1,0,0,0,1|2,0,0]=4 98 B10R1.25 c1cc(c(cc1O)Br)C=O CM10868 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.25 c1cc(c(cc1O)Cl)C=O CM10154 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.25 c1cc(c(cc1O)F)C=O CM11947 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.25 c1cc(c(cc1O)I)C=O CM10867 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.25 c1cc(nc(c1C=O)Br)Br CM10104 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.61 CC(=O)c1ccccc1Br CM11134 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.61 CC(=O)c1ccccc1I CM11218 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] CM14024 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.61 c1ccc(c(c1)C(=O)N)I CM13180 [0,1,0,0,0,1|2,0,0]=4 107 B10R1.61 c1ccc(c(c1)C(=O)O)F CM12709 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.61 c1ccc(c(c1)C(=O)O)I CM12818 [0,1,0,0,0,1|2,0,0]=4 109 B10R1.61 c1cncc(c1Br)C(=O)O CM14036 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.245 Cc1cccc(c1C=O)C CM11940 [0,1,0,0,0,1|1,0,0]=3 111 B10R1.245 Cc1cccc(c1C=O)O CM10373 [0,1,0,0,0,1|1,0,0]=3 112 B10R1.245 c1cc(c(c(c1)Br)C=O)Cl CM10551 [0,1,0,0,0,1|2,0,0]=4 113 B10R1.245 c1cc(c(c(c1)Br)C=O)F CM11839 [0,1,0,0,0,1|2,0,0]=4 114 B10R1.245 c1cc(c(c(c1)Cl)C=O)O CM11884 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.245 c1cc(c(c(c1)F)C=O)F CM11931 [0,1,0,0,0,1|2,0,0]=4 116 B10R1.245 c1cc(c(c(c1)F)C=O)O CM10484 [0,1,0,0,0,1|2,0,0]=4 117 B10R1.245 c1cnc(c(c1Cl)C=O)Cl CM10668 [0,1,0,0,0,1|2,0,0]=4 118 B10R1.245 c1cnc(c(c1I)C=O)Cl CM10358 [0,1,0,0,0,1|2,0,0]=4 119 B10R2.7 c1ccn2cccc2c1 CM10848 [0,0,0,1,0,1|1,0,1]=4