0 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.1 C=C=Cc1cc[n+](cc1)[O-] 271570a_100015277604_100000039755 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.1 C=C=Cc1ccc(=O)[nH]c1 271570a_100015277604_100000212171 [0,0,0,0,0,0|1,0,3]=4 3 B10R1.1 C=C=Cc1ccc(cc1)Br 271570a_100015277604_100000752885 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.1 C=C=Cc1ccc(cc1)Cl 271570a_100015277604_100000755918 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.1 C=C=Cc1ccc(cc1)F 271570a_100015277604_100000211213 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.1 C=C=Cc1ccc(cc1)N 271570a_100015277604_100000185761 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [0,0,0,0,0,0|0,0,2]=2 9 B10R1.1 C=C=Cc1ccc(cn1)Br 271570a_100015277604_100000686858 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.1 C=C=Cc1ccc(cn1)C 271570a_100015277604_100000754016 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.1 C=C=Cc1ccc(cn1)Cl 271570a_100015277604_100011356976 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.1 C=C=Cc1ccc(cn1)F 271570a_100015277604_100000744514 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.1 C=C=Cc1ccc(cn1)N 271570a_100015277604_100000744251 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.1 C=C=Cc1ccc(cn1)O 271570a_100015277604_100000685995 [0,0,0,0,0,0|1,0,2]=3 15 B10R1.1 C=C=Cc1ccc(nc1)Br 271570a_100015277604_100009814638 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.1 C=C=Cc1ccc(nc1)C 271570a_100015277604_100000751577 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.1 C=C=Cc1ccc(nc1)Cl 271570a_100015277604_100000034144 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.1 C=C=Cc1ccc(nc1)F 271570a_100015277604_100000748661 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.1 C=C=Cc1ccc(nc1)N 271570a_100015277604_100000187370 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.1 C=C=Cc1ncc(cn1)O 271570a_100015277604_100000730009 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.1 CC=Cc1cc[n+](cc1)[O-] 271570a_100016259895_100000039755 [0,0,0,0,0,0|1,0,3]=4 22 B10R1.1 CC=Cc1ccc(=O)[nH]c1 271570a_100016259895_100000212171 [0,0,0,0,0,0|1,0,3]=4 23 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [0,0,0,0,0,0|1,0,2]=3 24 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [0,0,0,0,0,0|1,0,2]=3 25 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [0,0,0,0,0,0|1,0,2]=3 26 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [0,0,0,0,0,0|1,0,2]=3 27 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [0,0,0,0,0,0|1,0,2]=3 28 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [0,0,0,0,0,0|0,0,2]=2 29 B10R1.1 CC=Cc1ccc(cn1)Br 271570a_100016259895_100000686858 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.1 CC=Cc1ccc(cn1)Cl 271570a_100016259895_100011356976 [0,0,0,0,0,0|2,0,2]=4 32 B10R1.1 CC=Cc1ccc(cn1)F 271570a_100016259895_100000744514 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.1 CC=Cc1ccc(cn1)N 271570a_100016259895_100000744251 [0,0,0,0,0,0|2,0,2]=4 34 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [0,0,0,0,0,0|1,0,2]=3 35 B10R1.1 CC=Cc1ccc(nc1)Br 271570a_100016259895_100009814638 [0,0,0,0,0,0|2,0,2]=4 36 B10R1.1 CC=Cc1ccc(nc1)C 271570a_100016259895_100000751577 [0,0,0,0,0,0|2,0,2]=4 37 B10R1.1 CC=Cc1ccc(nc1)Cl 271570a_100016259895_100000034144 [0,0,0,0,0,0|2,0,2]=4 38 B10R1.1 CC=Cc1ccc(nc1)F 271570a_100016259895_100000748661 [0,0,0,0,0,0|2,0,2]=4 39 B10R1.1 CC=Cc1ccc(nc1)N 271570a_100016259895_100000187370 [0,0,0,0,0,0|2,0,2]=4 40 B10R1.1 CC=Cc1ncc(cn1)O 271570a_100016259895_100000730009 [0,0,0,0,0,0|2,0,2]=4 41 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [0,0,0,0,0,0|0,0,2]=2 42 B10R1.1 CCCc1cnc(nc1)O 271570a_203496583355_100000039067 [0,0,0,0,0,0|2,0,2]=4 43 B10R1.1 CCNc1ccc(cc1)Br 2230a_100000210018_100000210202 [0,0,0,0,0,0|2,0,2]=4 44 B10R1.1 CCNc1ccc(cc1)Br 34a_100000210018_100000210202 [0,0,0,0,0,0|2,0,2]=4 45 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [0,0,0,0,0,0|2,0,2]=4 46 B10R1.1 CCNc1ccc(cc1)Cl 2230a_100000210052_100000210202 [0,0,0,0,0,0|2,0,2]=4 47 B10R1.1 CCNc1ccc(cc1)Cl 34a_100000210052_100000210202 [0,0,0,0,0,0|2,0,2]=4 48 B10R1.1 CCNc1ccc(cc1)F 34a_100000185862_100000210202 [0,0,0,0,0,0|2,0,2]=4 49 B10R1.1 CCNc1ccc(cc1)I 34a_100000185761_100000210202 [0,0,0,0,0,0|2,0,2]=4 50 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [0,0,0,0,0,0|1,0,2]=3 51 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [0,0,0,0,0,0|1,0,2]=3 52 B10R1.1 CCNc1ccc(cn1)O 271570a_203496583355_100000741496 [0,0,0,0,0,0|2,0,2]=4 53 B10R1.1 CCOc1ccc(cc1)Br 34a_100000185759_100000210202 [0,0,0,0,0,0|2,0,2]=4 54 B10R1.1 CCOc1ccc(cc1)Br 7a_100000185759_100000210202 [0,0,0,0,0,0|2,0,2]=4 55 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [0,0,0,0,0,0|2,0,2]=4 56 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [0,0,0,0,0,0|2,0,2]=4 57 B10R1.1 CCOc1ccc(cc1)Cl 34a_100000210216_100000210202 [0,0,0,0,0,0|2,0,2]=4 58 B10R1.1 CCOc1ccc(cc1)Cl 7a_100000210216_100000210202 [0,0,0,0,0,0|2,0,2]=4 59 B10R1.1 CCOc1ccc(cc1)F 34a_100000210339_100000210202 [0,0,0,0,0,0|2,0,2]=4 60 B10R1.1 CCOc1ccc(cc1)I 34a_100000212066_100000210202 [0,0,0,0,0,0|2,0,2]=4 61 B10R1.1 CCOc1ccc(cc1)I 7a_100000212066_100000210202 [0,0,0,0,0,0|2,0,2]=4 62 B10R1.1 CCOc1ccc(cc1)N 34a_100000185829_100000210202 [0,0,0,0,0,0|2,0,2]=4 63 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [0,0,0,0,0,0|1,0,2]=3 64 B10R1.1 CCOc1ccc(cn1)O 271570a_203496583355_100011219444 [0,0,0,0,0,0|2,0,2]=4 65 B10R1.1 CCOc1ccc(nc1)O 271570a_203496583355_100000753957 [0,0,0,0,0,0|2,0,2]=4 66 B10R1.1 CCSc1ccc(cc1)Br 62a_100000210202_100000752885 [0,0,0,0,0,0|2,0,2]=4 67 B10R1.1 CCSc1ccc(cc1)Br 62a_100000752885_100000210202 [0,0,0,0,0,0|2,0,2]=4 68 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [0,0,0,0,0,0|2,0,2]=4 69 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [0,0,0,0,0,0|2,0,2]=4 70 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000210202_100000755918 [0,0,0,0,0,0|2,0,2]=4 71 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000755918_100000210202 [0,0,0,0,0,0|2,0,2]=4 72 B10R1.1 CCSc1ccc(cc1)F 62a_100000210202_100000211213 [0,0,0,0,0,0|2,0,2]=4 73 B10R1.1 CCSc1ccc(cc1)F 62a_100000211213_100000210202 [0,0,0,0,0,0|2,0,2]=4 74 B10R1.1 CCSc1ccc(cc1)N 62a_100000185761_100000210202 [0,0,0,0,0,0|2,0,2]=4 75 B10R1.1 CCSc1ccc(cc1)N 62a_100000210202_100000185761 [0,0,0,0,0,0|2,0,2]=4 76 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [0,0,0,0,0,0|1,0,2]=3 77 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [0,0,0,0,0,0|1,0,2]=3 78 B10R1.1 CCSc1ccc(cn1)O 271570a_203496583355_100000690189 [0,0,0,0,0,0|2,0,2]=4 79 B10R1.1 CCSc1ccc(cn1)O 62a_100000210202_100000744096 [0,0,0,0,0,0|2,0,2]=4 80 B10R1.1 CCSc1ccc(cn1)O 62a_100000685995_100000210202 [0,0,0,0,0,0|2,0,2]=4 81 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [0,0,0,0,0,0|2,0,1]=3 82 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [0,0,0,0,0,0|2,0,1]=3 83 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [0,0,0,0,0,0|2,0,1]=3 84 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [0,0,0,0,0,0|2,0,1]=3 85 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [0,0,0,0,0,0|2,0,1]=3 86 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [0,0,0,0,0,0|2,0,1]=3 87 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [0,0,0,0,0,0|2,0,1]=3 88 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [0,0,0,0,0,0|2,0,1]=3 89 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [0,0,0,0,0,0|2,0,1]=3 90 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [0,0,0,0,0,0|2,0,1]=3 91 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [0,0,0,0,0,0|2,0,1]=3 92 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [0,0,0,0,0,0|2,0,1]=3 93 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [0,0,0,0,0,0|2,0,1]=3 94 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [0,0,0,0,0,0|2,0,1]=3 95 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [0,0,0,0,0,0|2,0,1]=3 96 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [0,0,0,0,0,0|2,0,1]=3 97 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [0,0,0,0,0,0|2,0,1]=3 98 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [0,0,0,0,0,0|2,0,1]=3 99 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [0,0,0,0,0,0|2,0,1]=3 100 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [0,0,0,0,0,0|2,0,1]=3 101 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [0,0,0,0,0,0|2,0,1]=3 102 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [0,0,0,0,0,0|2,0,1]=3 103 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [0,0,0,0,0,0|2,0,1]=3 104 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [0,0,0,0,0,0|2,0,1]=3 105 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [0,0,0,0,0,0|2,0,1]=3 106 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [0,0,0,0,0,0|2,0,1]=3 107 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [0,0,0,0,0,0|2,0,1]=3 108 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [0,0,0,0,0,0|2,0,1]=3 109 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [0,0,0,0,0,0|2,0,1]=3 110 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [0,0,0,0,0,0|2,0,1]=3 111 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [0,0,0,0,0,0|2,0,1]=3 112 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [0,0,0,0,0,0|2,0,1]=3 113 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [0,0,0,0,0,0|2,0,1]=3 114 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [0,0,0,0,0,0|2,0,1]=3 115 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [0,0,0,0,0,0|2,0,1]=3 116 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [0,0,0,0,0,0|2,0,1]=3 117 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [0,0,0,0,0,0|1,0,1]=2 118 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [0,0,0,0,0,0|1,0,1]=2 119 B10R1.1 CNCc1ccc(cn1)Br 207a_100102657272_100000754260 [0,0,0,0,0,0|3,0,1]=4 120 B10R1.1 CNCc1ccc(cn1)Br 2230a_106832991635_100000702658 [0,0,0,0,0,0|3,0,1]=4 121 B10R1.1 CNCc1ccc(cn1)Br 270004a_106832991635_100000754260 [0,0,0,0,0,0|3,0,1]=4 122 B10R1.1 CNCc1ccc(cn1)Br 34a_100015188789_200000210301 [0,0,0,0,0,0|3,0,1]=4 123 B10R1.1 CNCc1ccc(cn1)Br 34a_100102657272_100000702658 [0,0,0,0,0,0|3,0,1]=4 124 B10R1.1 CNCc1ccc(cn1)Br 7a_106832991635_100000702658 [0,0,0,0,0,0|3,0,1]=4 125 B10R1.1 CNCc1ccc(cn1)C 207a_100102657272_100000050478 [0,0,0,0,0,0|3,0,1]=4 126 B10R1.1 CNCc1ccc(cn1)C 2230a_106832991635_100000691093 [0,0,0,0,0,0|3,0,1]=4 127 B10R1.1 CNCc1ccc(cn1)C 270004a_106832991635_100000050478 [0,0,0,0,0,0|3,0,1]=4 128 B10R1.1 CNCc1ccc(cn1)C 34a_100015187455_200000210301 [0,0,0,0,0,0|3,0,1]=4 129 B10R1.1 CNCc1ccc(cn1)C 34a_100102657272_100000691093 [0,0,0,0,0,0|3,0,1]=4 130 B10R1.1 CNCc1ccc(cn1)C 7a_106832991635_100000691093 [0,0,0,0,0,0|3,0,1]=4 131 B10R1.1 CNCc1ccc(cn1)Cl 207a_100102657272_100011361569 [0,0,0,0,0,0|3,0,1]=4 132 B10R1.1 CNCc1ccc(cn1)Cl 2230a_106832991635_100012066911 [0,0,0,0,0,0|3,0,1]=4 133 B10R1.1 CNCc1ccc(cn1)Cl 270004a_106832991635_100011361569 [0,0,0,0,0,0|3,0,1]=4 134 B10R1.1 CNCc1ccc(cn1)Cl 34a_100000697193_200000210301 [0,0,0,0,0,0|3,0,1]=4 135 B10R1.1 CNCc1ccc(cn1)Cl 34a_100102657272_100012066911 [0,0,0,0,0,0|3,0,1]=4 136 B10R1.1 CNCc1ccc(cn1)Cl 7a_106832991635_100012066911 [0,0,0,0,0,0|3,0,1]=4 137 B10R1.1 CNCc1ccc(cn1)F 207a_100102657272_100011934744 [0,0,0,0,0,0|3,0,1]=4 138 B10R1.1 CNCc1ccc(cn1)F 2230a_106832991635_100000703193 [0,0,0,0,0,0|3,0,1]=4 139 B10R1.1 CNCc1ccc(cn1)F 270004a_106832991635_100011934744 [0,0,0,0,0,0|3,0,1]=4 140 B10R1.1 CNCc1ccc(cn1)F 34a_100020620131_200000210301 [0,0,0,0,0,0|3,0,1]=4 141 B10R1.1 CNCc1ccc(cn1)F 34a_100102657272_100000703193 [0,0,0,0,0,0|3,0,1]=4 142 B10R1.1 CNCc1ccc(cn1)F 7a_106832991635_100000703193 [0,0,0,0,0,0|3,0,1]=4 143 B10R1.1 CNCc1ccc(nc1)Br 2230a_100009817727_200000210301 [0,0,0,0,0,0|3,0,1]=4 144 B10R1.1 CNCc1ccc(nc1)Br 2230a_106832991635_100009831999 [0,0,0,0,0,0|3,0,1]=4 145 B10R1.1 CNCc1ccc(nc1)Br 34a_100009817727_200000210301 [0,0,0,0,0,0|3,0,1]=4 146 B10R1.1 CNCc1ccc(nc1)Br 34a_100102657272_100009831999 [0,0,0,0,0,0|3,0,1]=4 147 B10R1.1 CNCc1ccc(nc1)Br 7a_106832991635_100009831999 [0,0,0,0,0,0|3,0,1]=4 148 B10R1.1 CNCc1ccc(nc1)C 2230a_106832991635_100016987292 [0,0,0,0,0,0|3,0,1]=4 149 B10R1.1 CNCc1ccc(nc1)C 270004a_106832991635_100000743784 [0,0,0,0,0,0|3,0,1]=4 150 B10R1.1 CNCc1ccc(nc1)C 34a_100000740942_200000210301 [0,0,0,0,0,0|3,0,1]=4 151 B10R1.1 CNCc1ccc(nc1)C 34a_100102657272_100016987292 [0,0,0,0,0,0|3,0,1]=4 152 B10R1.1 CNCc1ccc(nc1)C 7a_106832991635_100016987292 [0,0,0,0,0,0|3,0,1]=4 153 B10R1.1 CNCc1ccc(nc1)Cl 2230a_100000735879_200000210301 [0,0,0,0,0,0|3,0,1]=4 154 B10R1.1 CNCc1ccc(nc1)Cl 2230a_106832991635_100000735431 [0,0,0,0,0,0|3,0,1]=4 155 B10R1.1 CNCc1ccc(nc1)Cl 34a_100000735879_200000210301 [0,0,0,0,0,0|3,0,1]=4 156 B10R1.1 CNCc1ccc(nc1)Cl 34a_100102657272_100000735431 [0,0,0,0,0,0|3,0,1]=4 157 B10R1.1 CNCc1ccc(nc1)Cl 7a_106832991635_100000735431 [0,0,0,0,0,0|3,0,1]=4 158 B10R1.1 CNCc1ccc(nc1)F 2230a_100000101913_200000210301 [0,0,0,0,0,0|3,0,1]=4 159 B10R1.1 CNCc1ccc(nc1)F 2230a_106832991635_100009820150 [0,0,0,0,0,0|3,0,1]=4 160 B10R1.1 CNCc1ccc(nc1)F 34a_100000101913_200000210301 [0,0,0,0,0,0|3,0,1]=4 161 B10R1.1 CNCc1ccc(nc1)F 34a_100102657272_100000099788 [0,0,0,0,0,0|3,0,1]=4 162 B10R1.1 CNCc1ccc(nc1)F 7a_106832991635_100009820150 [0,0,0,0,0,0|3,0,1]=4 163 B10R1.1 CNCc1ccc(nc1)O 207a_100102657272_100011361521 [0,0,0,0,0,0|2,0,1]=3 164 B10R1.1 CNCc1ccc(nc1)O 2230a_100000757128_200000210301 [0,0,0,0,0,0|2,0,1]=3 165 B10R1.1 CNCc1ccc(nc1)O 271570a_203496583355_100000026953 [0,0,0,0,0,0|2,0,1]=3 166 B10R1.1 COCc1cc[n+](cc1)C 34a_100009831711_200000210301 [0,0,0,0,0,0|3,0,1]=4 167 B10R1.1 COCc1cc[n+](cc1)[O-] 34a_100000031831_200000210301 [0,0,0,0,0,0|2,0,2]=4 168 B10R1.1 COCc1cc[n+](cc1)[O-] 7a_100000031831_200000210301 [0,0,0,0,0,0|2,0,2]=4 169 B10R1.1 COCc1ccc(=O)[nH]c1 34a_100011999846_200000210301 [0,0,0,0,0,0|2,0,2]=4 170 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [0,0,0,0,0,0|2,0,1]=3 171 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [0,0,0,0,0,0|2,0,1]=3 172 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [0,0,0,0,0,0|2,0,1]=3 173 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [0,0,0,0,0,0|2,0,1]=3 174 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [0,0,0,0,0,0|2,0,1]=3 175 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [0,0,0,0,0,0|2,0,1]=3 176 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [0,0,0,0,0,0|2,0,1]=3 177 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [0,0,0,0,0,0|2,0,1]=3 178 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [0,0,0,0,0,0|2,0,1]=3 179 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [0,0,0,0,0,0|2,0,1]=3 180 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [0,0,0,0,0,0|2,0,1]=3 181 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [0,0,0,0,0,0|2,0,1]=3 182 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [0,0,0,0,0,0|2,0,1]=3 183 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [0,0,0,0,0,0|2,0,1]=3 184 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [0,0,0,0,0,0|2,0,1]=3 185 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [0,0,0,0,0,0|1,0,1]=2 186 B10R1.1 COCc1ccc(cn1)Br 34a_100000754261_200000210301 [0,0,0,0,0,0|3,0,1]=4 187 B10R1.1 COCc1ccc(cn1)Br 34a_100138415774_100000702658 [0,0,0,0,0,0|3,0,1]=4 188 B10R1.1 COCc1ccc(cn1)C 34a_100012001401_200000210301 [0,0,0,0,0,0|3,0,1]=4 189 B10R1.1 COCc1ccc(cn1)C 34a_100138415774_100000691093 [0,0,0,0,0,0|3,0,1]=4 190 B10R1.1 COCc1ccc(cn1)Cl 34a_100000703999_200000210301 [0,0,0,0,0,0|3,0,1]=4 191 B10R1.1 COCc1ccc(cn1)Cl 34a_100138415774_100012066911 [0,0,0,0,0,0|3,0,1]=4 192 B10R1.1 COCc1ccc(cn1)F 34a_100011999454_200000210301 [0,0,0,0,0,0|3,0,1]=4 193 B10R1.1 COCc1ccc(cn1)F 34a_100138415774_100000703193 [0,0,0,0,0,0|3,0,1]=4 194 B10R1.1 COCc1ccc(cn1)N 34a_100011998161_200000210301 [0,0,0,0,0,0|3,0,1]=4 195 B10R1.1 COCc1ccc(nc1)Br 34a_100009816760_200000210301 [0,0,0,0,0,0|3,0,1]=4 196 B10R1.1 COCc1ccc(nc1)Br 34a_100138415774_100009831999 [0,0,0,0,0,0|3,0,1]=4 197 B10R1.1 COCc1ccc(nc1)Br 7a_100009816760_200000210301 [0,0,0,0,0,0|3,0,1]=4 198 B10R1.1 COCc1ccc(nc1)C 34a_100011248133_200000210301 [0,0,0,0,0,0|3,0,1]=4 199 B10R1.1 COCc1ccc(nc1)C 34a_100138415774_100016987292 [0,0,0,0,0,0|3,0,1]=4 200 B10R1.1 COCc1ccc(nc1)Cl 34a_100000755211_200000210301 [0,0,0,0,0,0|3,0,1]=4 201 B10R1.1 COCc1ccc(nc1)Cl 34a_100138415774_100000735431 [0,0,0,0,0,0|3,0,1]=4 202 B10R1.1 COCc1ccc(nc1)Cl 7a_100000755211_200000210301 [0,0,0,0,0,0|3,0,1]=4 203 B10R1.1 COCc1ccc(nc1)F 34a_100000079959_200000210301 [0,0,0,0,0,0|3,0,1]=4 204 B10R1.1 COCc1ccc(nc1)F 34a_100138415774_100000099788 [0,0,0,0,0,0|3,0,1]=4 205 B10R1.1 COCc1ccc(nc1)N 34a_100000704267_200000210301 [0,0,0,0,0,0|3,0,1]=4 206 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [0,0,0,0,0,0|2,0,1]=3 207 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [0,0,0,0,0,0|2,0,1]=3 208 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [0,0,0,0,0,0|2,0,1]=3 209 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [0,0,0,0,0,0|2,0,1]=3 210 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [0,0,0,0,0,0|2,0,1]=3 211 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [0,0,0,0,0,0|2,0,1]=3 212 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [0,0,0,0,0,0|2,0,1]=3 213 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [0,0,0,0,0,0|2,0,1]=3 214 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [0,0,0,0,0,0|2,0,1]=3 215 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [0,0,0,0,0,0|2,0,1]=3 216 B10R1.1 CSCc1ccc(cn1)Br 62a_100000702658_200000210301 [0,0,0,0,0,0|3,0,1]=4 217 B10R1.1 CSCc1ccc(cn1)Br 62a_200000210301_100000702658 [0,0,0,0,0,0|3,0,1]=4 218 B10R1.1 CSCc1ccc(cn1)C 62a_100000691093_200000210301 [0,0,0,0,0,0|3,0,1]=4 219 B10R1.1 CSCc1ccc(cn1)C 62a_200000210301_100000691093 [0,0,0,0,0,0|3,0,1]=4 220 B10R1.1 CSCc1ccc(cn1)Cl 62a_100012066911_200000210301 [0,0,0,0,0,0|3,0,1]=4 221 B10R1.1 CSCc1ccc(cn1)Cl 62a_200000210301_100000697101 [0,0,0,0,0,0|3,0,1]=4 222 B10R1.1 CSCc1ccc(cn1)F 62a_100000703193_200000210301 [0,0,0,0,0,0|3,0,1]=4 223 B10R1.1 CSCc1ccc(cn1)F 62a_200000210301_100000703193 [0,0,0,0,0,0|3,0,1]=4 224 B10R1.1 CSCc1ccc(nc1)Br 62a_100009831999_200000210301 [0,0,0,0,0,0|3,0,1]=4 225 B10R1.1 CSCc1ccc(nc1)Br 62a_200000210301_100009831999 [0,0,0,0,0,0|3,0,1]=4 226 B10R1.1 CSCc1ccc(nc1)C 62a_100016987292_200000210301 [0,0,0,0,0,0|3,0,1]=4 227 B10R1.1 CSCc1ccc(nc1)C 62a_200000210301_100016987292 [0,0,0,0,0,0|3,0,1]=4 228 B10R1.1 CSCc1ccc(nc1)Cl 62a_100000735431_200000210301 [0,0,0,0,0,0|3,0,1]=4 229 B10R1.1 CSCc1ccc(nc1)Cl 62a_200000210301_100000735431 [0,0,0,0,0,0|3,0,1]=4 230 B10R1.1 CSCc1ccc(nc1)F 62a_100009820150_200000210301 [0,0,0,0,0,0|3,0,1]=4 231 B10R1.1 CSCc1ccc(nc1)F 62a_200000210301_100000099788 [0,0,0,0,0,0|3,0,1]=4 232 B10R1.1 CSCc1ccc(nc1)O 271570a_203496583355_100000753673 [0,0,0,0,0,0|2,0,1]=3 233 B10R1.1 C[n+]1ccc(cc1)CO[13CH3] 34a_100009831711_200025704644 [0,0,0,0,0,0|3,0,1]=4 234 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [0,0,0,0,0,0|2,0,1]=3 235 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [0,0,0,0,0,0|2,0,1]=3 236 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [0,0,0,0,0,0|2,0,1]=3 237 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [0,0,0,0,0,0|2,0,1]=3 238 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [0,0,0,0,0,0|2,0,1]=3 239 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [0,0,0,0,0,0|2,0,1]=3 240 B10R1.1 Cc1ccc(cc1)NCF 34a_100000124888_100015361967 [0,0,0,0,0,0|3,0,1]=4 241 B10R1.1 Cc1ccc(cc1)OCF 34a_100000210336_100015361967 [0,0,0,0,0,0|3,0,1]=4 242 B10R1.1 Cc1ccc(cc1)OCF 7a_100000210336_100015361967 [0,0,0,0,0,0|3,0,1]=4 243 B10R1.1 Cc1ccc(cc1)SCF 62a_100000186775_100015361967 [0,0,0,0,0,0|3,0,1]=4 244 B10R1.1 Cc1ccc(cc1)SCF 62a_100015361967_100000186775 [0,0,0,0,0,0|3,0,1]=4 245 B10R1.1 Cc1ccc(cn1)CN[13CH3] 34a_100000740942_200025704644 [0,0,0,0,0,0|3,0,1]=4 246 B10R1.1 Cc1ccc(cn1)CO[13CH3] 34a_100011248133_200025704644 [0,0,0,0,0,0|3,0,1]=4 247 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_100016987292_200025704644 [0,0,0,0,0,0|3,0,1]=4 248 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_200025704644_100016987292 [0,0,0,0,0,0|3,0,1]=4 249 B10R1.1 Cc1ccc(nc1)CN[13CH3] 34a_100015187455_200025704644 [0,0,0,0,0,0|3,0,1]=4 250 B10R1.1 Cc1ccc(nc1)CO[13CH3] 34a_100012001401_200025704644 [0,0,0,0,0,0|3,0,1]=4 251 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_100000691093_200025704644 [0,0,0,0,0,0|3,0,1]=4 252 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_200025704644_100000691093 [0,0,0,0,0,0|3,0,1]=4 253 B10R1.1 FCNc1ccc(cc1)Br 34a_100000210018_100015361967 [0,0,0,0,0,0|3,0,1]=4 254 B10R1.1 FCNc1ccc(cc1)Cl 34a_100000210052_100015361967 [0,0,0,0,0,0|3,0,1]=4 255 B10R1.1 FCNc1ccc(cc1)F 34a_100000185862_100015361967 [0,0,0,0,0,0|3,0,1]=4 256 B10R1.1 FCNc1ccc(cc1)I 34a_100000185761_100015361967 [0,0,0,0,0,0|3,0,1]=4 257 B10R1.1 FCOc1ccc(cc1)Br 34a_100000185759_100015361967 [0,0,0,0,0,0|3,0,1]=4 258 B10R1.1 FCOc1ccc(cc1)Br 7a_100000185759_100015361967 [0,0,0,0,0,0|3,0,1]=4 259 B10R1.1 FCOc1ccc(cc1)Cl 34a_100000210216_100015361967 [0,0,0,0,0,0|3,0,1]=4 260 B10R1.1 FCOc1ccc(cc1)Cl 7a_100000210216_100015361967 [0,0,0,0,0,0|3,0,1]=4 261 B10R1.1 FCOc1ccc(cc1)F 34a_100000210339_100015361967 [0,0,0,0,0,0|3,0,1]=4 262 B10R1.1 FCOc1ccc(cc1)I 34a_100000212066_100015361967 [0,0,0,0,0,0|3,0,1]=4 263 B10R1.1 FCOc1ccc(cc1)I 7a_100000212066_100015361967 [0,0,0,0,0,0|3,0,1]=4 264 B10R1.1 FCSc1ccc(cc1)Br 62a_100000752885_100015361967 [0,0,0,0,0,0|3,0,1]=4 265 B10R1.1 FCSc1ccc(cc1)Br 62a_100015361967_100000752885 [0,0,0,0,0,0|3,0,1]=4 266 B10R1.1 FCSc1ccc(cc1)Cl 62a_100000755918_100015361967 [0,0,0,0,0,0|3,0,1]=4 267 B10R1.1 FCSc1ccc(cc1)Cl 62a_100015361967_100000755918 [0,0,0,0,0,0|3,0,1]=4 268 B10R1.1 FCSc1ccc(cc1)F 62a_100000211213_100015361967 [0,0,0,0,0,0|3,0,1]=4 269 B10R1.1 FCSc1ccc(cc1)F 62a_100015361967_100000211213 [0,0,0,0,0,0|3,0,1]=4 270 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [0,0,0,0,0,0|1,0,1]=2 271 B10R1.1 N#CCc1ccc(cn1)O 271570a_203496583355_100011824422 [0,0,0,0,0,0|2,0,1]=3 272 B10R1.1 N#CCc1ccc(nc1)O 271570a_203496583355_100000703598 [0,0,0,0,0,0|2,0,1]=3 273 B10R1.1 N#CNc1ccc(cc1)O 271570a_203496583355_100011685341 [0,0,0,0,0,0|2,0,1]=3 274 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [0,0,0,0,0,0|1,0,1]=2 275 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [0,0,0,0,0,0|2,0,0]=2 276 B10R1.1 NNCc1ccc(nc1)O 271570a_203496583355_106726394036 [0,0,0,0,0,0|3,0,0]=3 277 B10R1.1 Nc1ccc(cc1)OCF 34a_100000185829_100015361967 [0,0,0,0,0,0|3,0,1]=4 278 B10R1.1 Nc1ccc(cc1)SCF 62a_100000185761_100015361967 [0,0,0,0,0,0|3,0,1]=4 279 B10R1.1 Nc1ccc(cc1)SCF 62a_100015361967_100000185761 [0,0,0,0,0,0|3,0,1]=4 280 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [0,0,0,0,0,0|1,0,0]=1 281 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [0,0,0,0,0,0|1,0,1]=2 282 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [0,0,0,0,0,0|2,0,1]=3 283 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [0,0,0,0,0,0|2,0,1]=3 284 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [0,0,0,0,0,0|1,0,1]=2 285 B10R1.1 Oc1ccc(cc1)NCF 34a_100000185829_100015361967 [0,0,0,0,0,0|2,0,1]=3 286 B10R1.1 Oc1ccc(cc1)SCF 62a_100015361967_100000185759 [0,0,0,0,0,0|2,0,1]=3 287 B10R1.1 Oc1ccc(nc1)SCF 62a_100000685995_100015361967 [0,0,0,0,0,0|3,0,1]=4 288 B10R1.1 Oc1ccc(nc1)SCF 62a_100015361967_100000744096 [0,0,0,0,0,0|3,0,1]=4 289 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [0,0,0,0,0,0|2,0,1]=3 290 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [0,0,0,0,0,0|2,0,1]=3 291 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [0,0,0,0,0,0|2,0,1]=3 292 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [0,0,0,0,0,0|2,0,1]=3 293 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [0,0,0,0,0,0|2,0,1]=3 294 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [0,0,0,0,0,0|2,0,1]=3 295 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [0,0,0,0,0,0|2,0,1]=3 296 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [0,0,0,0,0,0|2,0,1]=3 297 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [0,0,0,0,0,0|1,0,1]=2 298 B10R1.1 [13CH3]NCc1ccc(cn1)Br 34a_100015188789_200025704644 [0,0,0,0,0,0|3,0,1]=4 299 B10R1.1 [13CH3]NCc1ccc(cn1)Cl 34a_100000697193_200025704644 [0,0,0,0,0,0|3,0,1]=4 300 B10R1.1 [13CH3]NCc1ccc(cn1)F 34a_100020620131_200025704644 [0,0,0,0,0,0|3,0,1]=4 301 B10R1.1 [13CH3]NCc1ccc(nc1)Br 2230a_100009817727_200025704644 [0,0,0,0,0,0|3,0,1]=4 302 B10R1.1 [13CH3]NCc1ccc(nc1)Br 34a_100009817727_200025704644 [0,0,0,0,0,0|3,0,1]=4 303 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 2230a_100000735879_200025704644 [0,0,0,0,0,0|3,0,1]=4 304 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 34a_100000735879_200025704644 [0,0,0,0,0,0|3,0,1]=4 305 B10R1.1 [13CH3]NCc1ccc(nc1)F 2230a_100000101913_200025704644 [0,0,0,0,0,0|3,0,1]=4 306 B10R1.1 [13CH3]NCc1ccc(nc1)F 34a_100000101913_200025704644 [0,0,0,0,0,0|3,0,1]=4 307 B10R1.1 [13CH3]NCc1ccc(nc1)O 2230a_100000757128_200025704644 [0,0,0,0,0,0|2,0,1]=3 308 B10R1.1 [13CH3]OCc1cc[n+](cc1)[O-] 34a_100000031831_200025704644 [0,0,0,0,0,0|2,0,2]=4 309 B10R1.1 [13CH3]OCc1cc[n+](cc1)[O-] 7a_100000031831_200025704644 [0,0,0,0,0,0|2,0,2]=4 310 B10R1.1 [13CH3]OCc1ccc(=O)[nH]c1 34a_100011999846_200025704644 [0,0,0,0,0,0|2,0,2]=4 311 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [0,0,0,0,0,0|2,0,1]=3 312 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [0,0,0,0,0,0|2,0,1]=3 313 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [0,0,0,0,0,0|2,0,1]=3 314 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [0,0,0,0,0,0|2,0,1]=3 315 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [0,0,0,0,0,0|2,0,1]=3 316 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [0,0,0,0,0,0|2,0,1]=3 317 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [0,0,0,0,0,0|2,0,1]=3 318 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [0,0,0,0,0,0|2,0,1]=3 319 B10R1.1 [13CH3]OCc1ccc(cn1)Br 34a_100000754261_200025704644 [0,0,0,0,0,0|3,0,1]=4 320 B10R1.1 [13CH3]OCc1ccc(cn1)Cl 34a_100000703999_200025704644 [0,0,0,0,0,0|3,0,1]=4 321 B10R1.1 [13CH3]OCc1ccc(cn1)F 34a_100011999454_200025704644 [0,0,0,0,0,0|3,0,1]=4 322 B10R1.1 [13CH3]OCc1ccc(cn1)N 34a_100011998161_200025704644 [0,0,0,0,0,0|3,0,1]=4 323 B10R1.1 [13CH3]OCc1ccc(nc1)Br 34a_100009816760_200025704644 [0,0,0,0,0,0|3,0,1]=4 324 B10R1.1 [13CH3]OCc1ccc(nc1)Br 7a_100009816760_200025704644 [0,0,0,0,0,0|3,0,1]=4 325 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 34a_100000755211_200025704644 [0,0,0,0,0,0|3,0,1]=4 326 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 7a_100000755211_200025704644 [0,0,0,0,0,0|3,0,1]=4 327 B10R1.1 [13CH3]OCc1ccc(nc1)F 34a_100000079959_200025704644 [0,0,0,0,0,0|3,0,1]=4 328 B10R1.1 [13CH3]OCc1ccc(nc1)N 34a_100000704267_200025704644 [0,0,0,0,0,0|3,0,1]=4 329 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [0,0,0,0,0,0|2,0,1]=3 330 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [0,0,0,0,0,0|2,0,1]=3 331 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [0,0,0,0,0,0|2,0,1]=3 332 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [0,0,0,0,0,0|2,0,1]=3 333 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [0,0,0,0,0,0|2,0,1]=3 334 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [0,0,0,0,0,0|2,0,1]=3 335 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [0,0,0,0,0,0|2,0,1]=3 336 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [0,0,0,0,0,0|2,0,1]=3 337 B10R1.1 [13CH3]SCc1ccc(cn1)Br 62a_100000702658_200025704644 [0,0,0,0,0,0|3,0,1]=4 338 B10R1.1 [13CH3]SCc1ccc(cn1)Br 62a_200025704644_100000702658 [0,0,0,0,0,0|3,0,1]=4 339 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_100012066911_200025704644 [0,0,0,0,0,0|3,0,1]=4 340 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_200025704644_100000697101 [0,0,0,0,0,0|3,0,1]=4 341 B10R1.1 [13CH3]SCc1ccc(cn1)F 62a_100000703193_200025704644 [0,0,0,0,0,0|3,0,1]=4 342 B10R1.1 [13CH3]SCc1ccc(cn1)F 62a_200025704644_100000703193 [0,0,0,0,0,0|3,0,1]=4 343 B10R1.1 [13CH3]SCc1ccc(nc1)Br 62a_100009831999_200025704644 [0,0,0,0,0,0|3,0,1]=4 344 B10R1.1 [13CH3]SCc1ccc(nc1)Br 62a_200025704644_100009831999 [0,0,0,0,0,0|3,0,1]=4 345 B10R1.1 [13CH3]SCc1ccc(nc1)Cl 62a_100000735431_200025704644 [0,0,0,0,0,0|3,0,1]=4 346 B10R1.1 [13CH3]SCc1ccc(nc1)Cl 62a_200025704644_100000735431 [0,0,0,0,0,0|3,0,1]=4 347 B10R1.1 [13CH3]SCc1ccc(nc1)F 62a_100009820150_200025704644 [0,0,0,0,0,0|3,0,1]=4 348 B10R1.1 [13CH3]SCc1ccc(nc1)F 62a_200025704644_100000099788 [0,0,0,0,0,0|3,0,1]=4 349 B10R1.1 [N-]=[N+]=Nc1ccc(cc1)O 271570a_203496583355_100000735661 [0,0,0,0,0,0|3,0,0]=3 350 B9R1.1 C=Cc1cc[n+](cc1)[O-] 271570a_100011290941_100000039755 [1,0,0,0,0,0|1,0,1]=3 351 B9R1.1 C=Cc1ccc(=O)[nH]c1 271570a_100011290941_100000212171 [1,0,0,0,0,0|1,0,1]=3 352 B9R1.1 C=Cc1ccc(=O)[nH]n1 271570a_100011290941_100009820020 [1,0,0,0,0,0|2,0,1]=4 353 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [1,0,0,0,0,0|1,0,0]=2 354 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [1,0,0,0,0,0|1,0,0]=2 355 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [1,0,0,0,0,0|1,0,0]=2 356 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [1,0,0,0,0,0|1,0,0]=2 357 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [1,0,0,0,0,0|1,0,0]=2 358 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [1,0,0,0,0,0|0,0,0]=1 359 B9R1.1 C=Cc1ccc(cn1)Br 271570a_100011290941_100000686858 [1,0,0,0,0,0|2,0,0]=3 360 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [1,0,0,0,0,0|2,0,0]=3 361 B9R1.1 C=Cc1ccc(cn1)Cl 271570a_100011290941_100011356976 [1,0,0,0,0,0|2,0,0]=3 362 B9R1.1 C=Cc1ccc(cn1)F 271570a_100011290941_100000744514 [1,0,0,0,0,0|2,0,0]=3 363 B9R1.1 C=Cc1ccc(cn1)N 271570a_100011290941_100000744251 [1,0,0,0,0,0|2,0,0]=3 364 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [1,0,0,0,0,0|1,0,0]=2 365 B9R1.1 C=Cc1ccc(nc1)Br 271570a_100011290941_100009814638 [1,0,0,0,0,0|2,0,0]=3 366 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [1,0,0,0,0,0|2,0,0]=3 367 B9R1.1 C=Cc1ccc(nc1)Cl 271570a_100011290941_100000034144 [1,0,0,0,0,0|2,0,0]=3 368 B9R1.1 C=Cc1ccc(nc1)F 271570a_100011290941_100000748661 [1,0,0,0,0,0|2,0,0]=3 369 B9R1.1 C=Cc1ccc(nc1)N 271570a_100011290941_100000187370 [1,0,0,0,0,0|2,0,0]=3 370 B9R1.1 C=Cc1ccc(nn1)C 271570a_100011290941_100011450037 [1,0,0,0,0,0|3,0,0]=4 371 B9R1.1 C=Cc1ccc(nn1)N 271570a_100011290941_100009816609 [1,0,0,0,0,0|3,0,0]=4 372 B9R1.1 C=Cc1cnc(=O)[nH]c1 271570a_100011290941_102495366499 [1,0,0,0,0,0|2,0,1]=4 373 B9R1.1 C=Cc1cnc(cn1)C 271570a_100011290941_100011999403 [1,0,0,0,0,0|3,0,0]=4 374 B9R1.1 C=Cc1cnc(cn1)F 271570a_100011290941_100009856528 [1,0,0,0,0,0|3,0,0]=4 375 B9R1.1 C=Cc1cnc(cn1)N 271570a_100011290941_100000761932 [1,0,0,0,0,0|3,0,0]=4 376 B9R1.1 C=Cc1cnc(nc1)Br 271570a_100011290941_200012349914 [1,0,0,0,0,0|3,0,0]=4 377 B9R1.1 C=Cc1cnc(nc1)C 271570a_100011290941_100000686985 [1,0,0,0,0,0|3,0,0]=4 378 B9R1.1 C=Cc1cnc(nc1)F 271570a_100011290941_100000685262 [1,0,0,0,0,0|3,0,0]=4 379 B9R1.1 C=Cc1cnc(nc1)N 271570a_100011290941_100000760574 [1,0,0,0,0,0|3,0,0]=4 380 B9R1.1 C=Cc1ncc(cn1)Br 271570a_100011290941_100000690281 [1,0,0,0,0,0|3,0,0]=4 381 B9R1.1 C=Cc1ncc(cn1)C 271570a_100011290941_100011825175 [1,0,0,0,0,0|3,0,0]=4 382 B9R1.1 C=Cc1ncc(cn1)Cl 271570a_100011290941_100011356929 [1,0,0,0,0,0|3,0,0]=4 383 B9R1.1 C=Cc1ncc(cn1)F 271570a_100011290941_100000685220 [1,0,0,0,0,0|3,0,0]=4 384 B9R1.1 C=Cc1ncc(cn1)N 271570a_100011290941_100000068403 [1,0,0,0,0,0|3,0,0]=4 385 B9R1.1 C=Cc1ncc(cn1)O 271570a_100011290941_100000730009 [1,0,0,0,0,0|2,0,0]=3 386 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [1,0,0,0,0,0|0,0,1]=2 387 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [1,0,0,0,0,0|1,0,1]=3 388 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [1,0,0,0,0,0|1,0,1]=3 389 B9R1.1 CCc1cnc(nc1)O 271570a_203496583355_100000033099 [1,0,0,0,0,0|2,0,1]=4 390 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [1,0,0,0,0,0|2,0,1]=4 391 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [1,0,0,0,0,0|2,0,1]=4 392 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [1,0,0,0,0,0|2,0,1]=4 393 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [1,0,0,0,0,0|2,0,1]=4 394 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [1,0,0,0,0,0|2,0,1]=4 395 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [1,0,0,0,0,0|2,0,1]=4 396 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [1,0,0,0,0,0|2,0,1]=4 397 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [1,0,0,0,0,0|1,0,1]=3 398 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [1,0,0,0,0,0|1,0,1]=3 399 B9R1.1 CNc1ccc(cn1)O 271570a_203496583355_100000741341 [1,0,0,0,0,0|2,0,1]=4 400 B9R1.1 CNc1ccc(nc1)O 271570a_203496583355_100000764248 [1,0,0,0,0,0|2,0,1]=4 401 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [1,0,0,0,0,0|2,0,1]=4 402 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [1,0,0,0,0,0|2,0,1]=4 403 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [1,0,0,0,0,0|2,0,1]=4 404 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [1,0,0,0,0,0|2,0,1]=4 405 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [1,0,0,0,0,0|2,0,1]=4 406 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [1,0,0,0,0,0|2,0,1]=4 407 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [1,0,0,0,0,0|2,0,1]=4 408 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [1,0,0,0,0,0|2,0,1]=4 409 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [1,0,0,0,0,0|2,0,1]=4 410 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [1,0,0,0,0,0|2,0,1]=4 411 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [1,0,0,0,0,0|1,0,1]=3 412 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [1,0,0,0,0,0|2,0,1]=4 413 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [1,0,0,0,0,0|2,0,1]=4 414 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [1,0,0,0,0,0|2,0,1]=4 415 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [1,0,0,0,0,0|2,0,1]=4 416 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [1,0,0,0,0,0|2,0,1]=4 417 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [1,0,0,0,0,0|2,0,1]=4 418 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [1,0,0,0,0,0|2,0,1]=4 419 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [1,0,0,0,0,0|2,0,1]=4 420 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [1,0,0,0,0,0|2,0,1]=4 421 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [1,0,0,0,0,0|2,0,1]=4 422 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [1,0,0,0,0,0|2,0,1]=4 423 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [1,0,0,0,0,0|2,0,1]=4 424 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [1,0,0,0,0,0|1,0,1]=3 425 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [1,0,0,0,0,0|1,0,1]=3 426 B9R1.1 CSc1ccc(cn1)O 271570a_203496583355_100011408404 [1,0,0,0,0,0|2,0,1]=4 427 B9R1.1 CSc1ccc(cn1)O 62a_100000685995_200000210301 [1,0,0,0,0,0|2,0,1]=4 428 B9R1.1 CSc1ccc(cn1)O 62a_200000210301_100000744096 [1,0,0,0,0,0|2,0,1]=4 429 B9R1.1 CSc1ccc(nc1)O 271570a_203496583355_100009820866 [1,0,0,0,0,0|2,0,1]=4 430 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [1,0,0,0,0,0|2,0,1]=4 431 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [1,0,0,0,0,0|2,0,1]=4 432 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [1,0,0,0,0,0|2,0,1]=4 433 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [1,0,0,0,0,0|2,0,1]=4 434 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [1,0,0,0,0,0|2,0,1]=4 435 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [1,0,0,0,0,0|1,0,1]=3 436 B9R1.1 N#Cc1ccc(cn1)O 271570a_203496583355_100000760455 [1,0,0,0,0,0|2,0,1]=4 437 B9R1.1 N#Cc1ccc(nc1)O 271570a_203496583355_100000241038 [1,0,0,0,0,0|2,0,1]=4 438 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [1,0,0,0,0,0|1,0,0]=2 439 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [1,0,0,0,0,0|2,0,0]=3 440 B9R1.1 NCc1ccc(nc1)O 271570a_203496583355_100009817727 [1,0,0,0,0,0|2,0,0]=3 441 B9R1.1 NCc1ncc(cn1)O 271570a_203496583355_200016993442 [1,0,0,0,0,0|3,0,0]=4 442 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [1,0,0,0,0,0|2,0,0]=3 443 B9R1.1 NNc1ccc(cn1)O 271570a_203496583355_100000750576 [1,0,0,0,0,0|3,0,0]=4 444 B9R1.1 NNc1ccc(nc1)O 271570a_203496583355_100000119030 [1,0,0,0,0,0|3,0,0]=4 445 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [1,0,0,0,0,0|1,0,0]=2 446 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [1,0,0,0,0,0|2,0,0]=3 447 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [1,0,0,0,0,0|2,0,0]=3 448 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [1,0,0,0,0,0|3,0,0]=4 449 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [1,0,0,0,0,0|3,0,0]=4 450 B9R1.1 O=Cc1cnc(nc1)O 271570a_203496583355_100000070856 [1,0,0,0,0,0|3,0,0]=4 451 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [1,0,0,0,0,0|1,0,0]=2 452 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [1,0,0,0,0,0|2,0,0]=3 453 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [1,0,0,0,0,0|2,0,0]=3 454 B9R1.1 OCc1cnc(cn1)O 271570a_203496583355_100012002382 [1,0,0,0,0,0|3,0,0]=4 455 B9R1.1 OCc1cnc(nc1)O 271570a_203496583355_100009855073 [1,0,0,0,0,0|3,0,0]=4 456 B9R1.1 OCc1ncc(cn1)O 271570a_203496583355_100009867226 [1,0,0,0,0,0|3,0,0]=4 457 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [1,0,0,0,0,0|1,0,0]=2 458 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [1,0,0,0,0,0|2,0,1]=4 459 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [1,0,0,0,0,0|2,0,1]=4 460 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [1,0,0,0,0,0|2,0,1]=4 461 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [1,0,0,0,0,0|2,0,1]=4 462 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [1,0,0,0,0,0|2,0,1]=4 463 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [1,0,0,0,0,0|2,0,1]=4 464 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [1,0,0,0,0,0|1,0,1]=3 465 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [1,0,0,0,0,0|2,0,1]=4 466 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [1,0,0,0,0,0|2,0,1]=4 467 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [1,0,0,0,0,0|2,0,1]=4 468 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [1,0,0,0,0,0|2,0,1]=4 469 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [1,0,0,0,0,0|2,0,1]=4 470 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [1,0,0,0,0,0|2,0,1]=4 471 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [1,0,0,0,0,0|2,0,1]=4 472 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [1,0,0,0,0,0|2,0,1]=4 473 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [1,0,0,0,0,0|2,0,1]=4 474 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [1,0,0,0,0,0|2,0,1]=4 475 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [1,0,0,0,0,0|2,0,1]=4 476 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [1,0,0,0,0,0|2,0,1]=4 477 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [1,0,0,0,0,0|2,0,1]=4 478 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [1,0,0,0,0,0|2,0,1]=4 479 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [1,0,0,0,0,0|2,0,1]=4 480 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [1,0,0,0,0,0|2,0,1]=4 481 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [1,0,0,0,0,0|1,0,1]=3 482 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_100000685995_200025704644 [1,0,0,0,0,0|2,0,1]=4 483 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_200025704644_100000744096 [1,0,0,0,0,0|2,0,1]=4 484 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|0,0,2]=3 485 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [1,0,0,0,0,0|1,0,2]=4 486 B9R1.8 C=C=Cc1cccnc1 271570a_100015277604_100000752921 [1,0,0,0,0,0|1,0,2]=4 487 B9R1.8 C=C=Cc1ccncc1 271570a_100015277604_100000035832 [1,0,0,0,0,0|1,0,2]=4 488 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|0,0,2]=3 489 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|1,0,2]=4 490 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,0|1,0,2]=4 491 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,0|1,0,2]=4 492 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|1,0,2]=4 493 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|1,0,2]=4 494 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|1,0,2]=4 495 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|1,0,2]=4 496 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|1,0,2]=4 497 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|1,0,1]=3 498 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|1,0,1]=3 499 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|1,0,1]=3 500 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|1,0,1]=3 501 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|1,0,1]=3 502 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|1,0,1]=3 503 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|1,0,1]=3 504 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,0|2,0,1]=4 505 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,0|2,0,1]=4 506 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,0|2,0,1]=4 507 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,0|2,0,1]=4 508 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,0|2,0,1]=4 509 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,0|2,0,1]=4 510 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,0|2,0,1]=4 511 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,0|2,0,1]=4 512 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,0|2,0,1]=4 513 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,0|2,0,1]=4 514 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,0,0,0,0,0|2,0,1]=4 515 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,0,0,0,0,0|2,0,1]=4 516 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,0,0,0,0,0|2,0,1]=4 517 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|1,0,1]=3 518 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|1,0,1]=3 519 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|1,0,1]=3 520 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,0|2,0,1]=4 521 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,0|2,0,1]=4 522 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|1,0,1]=3 523 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|1,0,1]=3 524 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,0|2,0,1]=4 525 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,0|2,0,1]=4 526 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,0|2,0,1]=4 527 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,0|2,0,1]=4 528 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,0,0,0,0,0|2,0,1]=4 529 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,0,0,0,0,0|2,0,1]=4 530 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|2,0,1]=4 531 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|2,0,1]=4 532 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|2,0,1]=4 533 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|2,0,1]=4 534 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|2,0,1]=4 535 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|1,0,1]=3 536 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|1,0,1]=3 537 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|1,0,1]=3 538 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|1,0,1]=3 539 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|1,0,1]=3 540 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|1,0,1]=3 541 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,0|2,0,1]=4 542 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,0|2,0,1]=4 543 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,0|2,0,1]=4 544 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,0|2,0,1]=4 545 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,0,0,0,0,0|2,0,1]=4 546 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,0,0,0,0,0|2,0,1]=4 547 B11R1.1 C#CCNc1ccc(cc1)Br 2230a_100000210018_100000038162 [0,1,0,0,0,0|1,0,2]=4 548 B11R1.1 C#CCNc1ccc(cc1)Br 34a_100000210018_100000184674 [0,1,0,0,0,0|1,0,2]=4 549 B11R1.1 C#CCNc1ccc(cc1)C 34a_100000124888_100000184674 [0,1,0,0,0,0|1,0,2]=4 550 B11R1.1 C#CCNc1ccc(cc1)Cl 2230a_100000210052_100000038162 [0,1,0,0,0,0|1,0,2]=4 551 B11R1.1 C#CCNc1ccc(cc1)Cl 34a_100000210052_100000184674 [0,1,0,0,0,0|1,0,2]=4 552 B11R1.1 C#CCNc1ccc(cc1)F 34a_100000185862_100000184674 [0,1,0,0,0,0|1,0,2]=4 553 B11R1.1 C#CCNc1ccc(cc1)I 34a_100000185761_100000184674 [0,1,0,0,0,0|1,0,2]=4 554 B11R1.1 C#CCNc1ccc(cc1)O 34a_100000185829_100000184674 [0,1,0,0,0,0|0,0,2]=3 555 B11R1.1 C#CCOc1ccc(cc1)Br 34a_100000185759_100000184674 [0,1,0,0,0,0|1,0,2]=4 556 B11R1.1 C#CCOc1ccc(cc1)Br 7a_100000185759_100000038162 [0,1,0,0,0,0|1,0,2]=4 557 B11R1.1 C#CCOc1ccc(cc1)C 34a_100000210336_100000184674 [0,1,0,0,0,0|1,0,2]=4 558 B11R1.1 C#CCOc1ccc(cc1)C 7a_100000210336_100000038162 [0,1,0,0,0,0|1,0,2]=4 559 B11R1.1 C#CCOc1ccc(cc1)Cl 34a_100000210216_100000184674 [0,1,0,0,0,0|1,0,2]=4 560 B11R1.1 C#CCOc1ccc(cc1)Cl 7a_100000210216_100000038162 [0,1,0,0,0,0|1,0,2]=4 561 B11R1.1 C#CCOc1ccc(cc1)F 34a_100000210339_100000184674 [0,1,0,0,0,0|1,0,2]=4 562 B11R1.1 C#CCOc1ccc(cc1)I 34a_100000212066_100000184674 [0,1,0,0,0,0|1,0,2]=4 563 B11R1.1 C#CCOc1ccc(cc1)I 7a_100000212066_100000038162 [0,1,0,0,0,0|1,0,2]=4 564 B11R1.1 C#CCOc1ccc(cc1)N 34a_100000185829_100000184674 [0,1,0,0,0,0|1,0,2]=4 565 B11R1.1 C#CCSc1ccc(cc1)Br 62a_100000038162_100000752885 [0,1,0,0,0,0|1,0,2]=4 566 B11R1.1 C#CCSc1ccc(cc1)C 62a_100000038162_100000186775 [0,1,0,0,0,0|1,0,2]=4 567 B11R1.1 C#CCSc1ccc(cc1)Cl 62a_100000038162_100000755918 [0,1,0,0,0,0|1,0,2]=4 568 B11R1.1 C#CCSc1ccc(cc1)F 62a_100000038162_100000211213 [0,1,0,0,0,0|1,0,2]=4 569 B11R1.1 C#CCSc1ccc(cc1)N 62a_100000038162_100000185761 [0,1,0,0,0,0|1,0,2]=4 570 B11R1.1 C#CCSc1ccc(cc1)O 62a_100000038162_100000185759 [0,1,0,0,0,0|0,0,2]=3 571 B11R1.1 C#CCSc1ccc(cn1)O 62a_100000038162_100000744096 [0,1,0,0,0,0|1,0,2]=4 572 B11R1.1 C=CCNc1ccc(cc1)Br 2230a_100000210018_100000210623 [0,1,0,0,0,0|1,0,0]=2 573 B11R1.1 C=CCNc1ccc(cc1)Br 34a_100000210018_100015514636 [0,1,0,0,0,0|1,0,0]=2 574 B11R1.1 C=CCNc1ccc(cc1)C 34a_100000124888_100015514636 [0,1,0,0,0,0|1,0,0]=2 575 B11R1.1 C=CCNc1ccc(cc1)Cl 2230a_100000210052_100000210623 [0,1,0,0,0,0|1,0,0]=2 576 B11R1.1 C=CCNc1ccc(cc1)Cl 34a_100000210052_100015514636 [0,1,0,0,0,0|1,0,0]=2 577 B11R1.1 C=CCNc1ccc(cc1)F 34a_100000185862_100015514636 [0,1,0,0,0,0|1,0,0]=2 578 B11R1.1 C=CCNc1ccc(cc1)I 34a_100000185761_100015514636 [0,1,0,0,0,0|1,0,0]=2 579 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [0,1,0,0,0,0|0,0,0]=1 580 B11R1.1 C=CCNc1ccc(cn1)Br 27a_100020586998_100000686858 [0,1,0,0,0,0|2,0,0]=3 581 B11R1.1 C=CCNc1ccc(nn1)C 27a_100020586998_100000744512 [0,1,0,0,0,0|3,0,0]=4 582 B11R1.1 C=CCNc1cnc(cn1)Br 27a_100020586998_100010187541 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.1 C=CCNc1cnc(cn1)C 27a_100020586998_100000074397 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.1 C=CCNc1cnc(cn1)F 27a_100020586998_100009856528 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.1 C=CCNc1ncc(cn1)Br 27a_100020586998_100000690281 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.1 C=CCNc1ncc(cn1)C 27a_100020586998_100000061069 [0,1,0,0,0,0|3,0,0]=4 587 B11R1.1 C=CCNc1ncc(cn1)Cl 27a_100020586998_100011356929 [0,1,0,0,0,0|3,0,0]=4 588 B11R1.1 C=CCNc1ncc(cn1)F 27a_100020586998_100000685220 [0,1,0,0,0,0|3,0,0]=4 589 B11R1.1 C=CCOc1ccc(=O)[nH]c1 34a_100000075641_100015514636 [0,1,0,0,0,0|1,0,1]=3 590 B11R1.1 C=CCOc1ccc(cc1)Br 34a_100000185759_100015514636 [0,1,0,0,0,0|1,0,0]=2 591 B11R1.1 C=CCOc1ccc(cc1)Br 7a_100000185759_100015514636 [0,1,0,0,0,0|1,0,0]=2 592 B11R1.1 C=CCOc1ccc(cc1)C 34a_100000210336_100015514636 [0,1,0,0,0,0|1,0,0]=2 593 B11R1.1 C=CCOc1ccc(cc1)C 7a_100000210336_100015514636 [0,1,0,0,0,0|1,0,0]=2 594 B11R1.1 C=CCOc1ccc(cc1)Cl 34a_100000210216_100015514636 [0,1,0,0,0,0|1,0,0]=2 595 B11R1.1 C=CCOc1ccc(cc1)Cl 7a_100000210216_100015514636 [0,1,0,0,0,0|1,0,0]=2 596 B11R1.1 C=CCOc1ccc(cc1)F 34a_100000210339_100015514636 [0,1,0,0,0,0|1,0,0]=2 597 B11R1.1 C=CCOc1ccc(cc1)I 34a_100000212066_100015514636 [0,1,0,0,0,0|1,0,0]=2 598 B11R1.1 C=CCOc1ccc(cc1)I 7a_100000212066_100015514636 [0,1,0,0,0,0|1,0,0]=2 599 B11R1.1 C=CCOc1ccc(cc1)N 34a_100000185829_100015514636 [0,1,0,0,0,0|1,0,0]=2 600 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [0,1,0,0,0,0|0,0,0]=1 601 B11R1.1 C=CCOc1ccc(cn1)C 34a_100000759353_100015514636 [0,1,0,0,0,0|2,0,0]=3 602 B11R1.1 C=CCOc1ccc(cn1)Cl 34a_100011215309_100015514636 [0,1,0,0,0,0|2,0,0]=3 603 B11R1.1 C=CCOc1ccc(cn1)F 34a_100000742473_100015514636 [0,1,0,0,0,0|2,0,0]=3 604 B11R1.1 C=CCOc1ccc(cn1)N 34a_100000729260_100015514636 [0,1,0,0,0,0|2,0,0]=3 605 B11R1.1 C=CCOc1ccc(nc1)Br 34a_100000685995_100015514636 [0,1,0,0,0,0|2,0,0]=3 606 B11R1.1 C=CCOc1ccc(nc1)Br 7a_100000685995_100015514636 [0,1,0,0,0,0|2,0,0]=3 607 B11R1.1 C=CCOc1ccc(nc1)C 34a_100000745506_100015514636 [0,1,0,0,0,0|2,0,0]=3 608 B11R1.1 C=CCOc1ccc(nc1)C 7a_100000745506_100015514636 [0,1,0,0,0,0|2,0,0]=3 609 B11R1.1 C=CCOc1ccc(nc1)Cl 34a_100000744096_100015514636 [0,1,0,0,0,0|2,0,0]=3 610 B11R1.1 C=CCOc1ccc(nc1)Cl 7a_100000744096_100015514636 [0,1,0,0,0,0|2,0,0]=3 611 B11R1.1 C=CCOc1ccc(nc1)F 34a_100000688820_100015514636 [0,1,0,0,0,0|2,0,0]=3 612 B11R1.1 C=CCOc1ccc(nc1)F 7a_100000688820_100015514636 [0,1,0,0,0,0|2,0,0]=3 613 B11R1.1 C=CCOc1ccc(nc1)I 34a_100000687607_100015514636 [0,1,0,0,0,0|2,0,0]=3 614 B11R1.1 C=CCOc1ccc(nc1)I 7a_100000687607_100015514636 [0,1,0,0,0,0|2,0,0]=3 615 B11R1.1 C=CCOc1ccc(nc1)N 34a_100015188713_100015514636 [0,1,0,0,0,0|2,0,0]=3 616 B11R1.1 C=CCOc1ccc(nc1)N 7a_100015188713_100015514636 [0,1,0,0,0,0|2,0,0]=3 617 B11R1.1 C=CCOc1cnc(cn1)Br 34a_100011934580_100015514636 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.1 C=CCOc1cnc(cn1)Cl 34a_100015839800_100015514636 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.1 C=CCOc1cnc(nc1)Br 34a_100000730009_100015514636 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.1 C=CCOc1cnc(nc1)Br 7a_100000730009_100015514636 [0,1,0,0,0,0|3,0,0]=4 621 B11R1.1 C=CCOc1cnc(nc1)C 34a_100000062939_100015514636 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.1 C=CCOc1cnc(nc1)C 7a_100000062939_100015514636 [0,1,0,0,0,0|3,0,0]=4 623 B11R1.1 C=CCOc1cnc(nc1)Cl 34a_100000092845_100015514636 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.1 C=CCOc1cnc(nc1)Cl 7a_100000092845_100015514636 [0,1,0,0,0,0|3,0,0]=4 625 B11R1.1 C=CCOc1cnc(nc1)F 34a_200009874573_100015514636 [0,1,0,0,0,0|3,0,0]=4 626 B11R1.1 C=CCOc1cnc(nc1)F 7a_200009874573_100015514636 [0,1,0,0,0,0|3,0,0]=4 627 B11R1.1 C=CCOc1cnc(nc1)N 34a_100000087137_100015514636 [0,1,0,0,0,0|3,0,0]=4 628 B11R1.1 C=CCOc1cnc(nc1)N 7a_100000087137_100015514636 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.1 C=CCOc1ncc(cn1)F 34a_100011934040_100015514636 [0,1,0,0,0,0|3,0,0]=4 630 B11R1.1 C=CCSc1cc[n+](cc1)[O-] 62a_100000210623_100000039755 [0,1,0,0,0,0|1,0,1]=3 631 B11R1.1 C=CCSc1ccc(=O)[nH]c1 62a_100000210623_100000212171 [0,1,0,0,0,0|1,0,1]=3 632 B11R1.1 C=CCSc1ccc(=O)[nH]c1 62a_100000212171_100000210623 [0,1,0,0,0,0|1,0,1]=3 633 B11R1.1 C=CCSc1ccc(=O)[nH]n1 62a_100000210623_100009820020 [0,1,0,0,0,0|2,0,1]=4 634 B11R1.1 C=CCSc1ccc(=O)[nH]n1 62a_100009820020_100000210623 [0,1,0,0,0,0|2,0,1]=4 635 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000210623_100000752885 [0,1,0,0,0,0|1,0,0]=2 636 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000752885_100000210623 [0,1,0,0,0,0|1,0,0]=2 637 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000186775_100000210623 [0,1,0,0,0,0|1,0,0]=2 638 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000210623_100000186775 [0,1,0,0,0,0|1,0,0]=2 639 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000210623_100000755918 [0,1,0,0,0,0|1,0,0]=2 640 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000755918_100000210623 [0,1,0,0,0,0|1,0,0]=2 641 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000210623_100000211213 [0,1,0,0,0,0|1,0,0]=2 642 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000211213_100000210623 [0,1,0,0,0,0|1,0,0]=2 643 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000185761_100000210623 [0,1,0,0,0,0|1,0,0]=2 644 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000210623_100000185761 [0,1,0,0,0,0|1,0,0]=2 645 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [0,1,0,0,0,0|0,0,0]=1 646 B11R1.1 C=CCSc1ccc(cn1)Br 62a_100000210623_100000686858 [0,1,0,0,0,0|2,0,0]=3 647 B11R1.1 C=CCSc1ccc(cn1)Br 62a_100000686858_100000210623 [0,1,0,0,0,0|2,0,0]=3 648 B11R1.1 C=CCSc1ccc(cn1)C 62a_100000210623_100000754016 [0,1,0,0,0,0|2,0,0]=3 649 B11R1.1 C=CCSc1ccc(cn1)C 62a_100011192072_100000210623 [0,1,0,0,0,0|2,0,0]=3 650 B11R1.1 C=CCSc1ccc(cn1)Cl 62a_100000210623_100011356976 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.1 C=CCSc1ccc(cn1)Cl 62a_100011356976_100000210623 [0,1,0,0,0,0|2,0,0]=3 652 B11R1.1 C=CCSc1ccc(cn1)F 62a_100000210623_100000744514 [0,1,0,0,0,0|2,0,0]=3 653 B11R1.1 C=CCSc1ccc(cn1)F 62a_100000744514_100000210623 [0,1,0,0,0,0|2,0,0]=3 654 B11R1.1 C=CCSc1ccc(cn1)N 62a_100000210623_100000737798 [0,1,0,0,0,0|2,0,0]=3 655 B11R1.1 C=CCSc1ccc(cn1)N 62a_100000737798_100000210623 [0,1,0,0,0,0|2,0,0]=3 656 B11R1.1 C=CCSc1ccc(cn1)O 62a_100000210623_100000744096 [0,1,0,0,0,0|1,0,0]=2 657 B11R1.1 C=CCSc1ccc(cn1)O 62a_100000685995_100000210623 [0,1,0,0,0,0|1,0,0]=2 658 B11R1.1 C=CCSc1ccc(nc1)Br 62a_100000210623_100009814638 [0,1,0,0,0,0|2,0,0]=3 659 B11R1.1 C=CCSc1ccc(nc1)Br 62a_100009814638_100000210623 [0,1,0,0,0,0|2,0,0]=3 660 B11R1.1 C=CCSc1ccc(nc1)C 62a_100000210623_100000751577 [0,1,0,0,0,0|2,0,0]=3 661 B11R1.1 C=CCSc1ccc(nc1)C 62a_100000751577_100000210623 [0,1,0,0,0,0|2,0,0]=3 662 B11R1.1 C=CCSc1ccc(nc1)Cl 62a_100000034144_100000210623 [0,1,0,0,0,0|2,0,0]=3 663 B11R1.1 C=CCSc1ccc(nc1)Cl 62a_100000210623_100000034144 [0,1,0,0,0,0|2,0,0]=3 664 B11R1.1 C=CCSc1ccc(nc1)F 62a_100000042367_100000210623 [0,1,0,0,0,0|2,0,0]=3 665 B11R1.1 C=CCSc1ccc(nc1)F 62a_100000210623_100000042367 [0,1,0,0,0,0|2,0,0]=3 666 B11R1.1 C=CCSc1ccc(nc1)N 62a_100000187370_100000210623 [0,1,0,0,0,0|2,0,0]=3 667 B11R1.1 C=CCSc1ccc(nc1)N 62a_100000210623_100000187370 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.1 C=CCSc1ccc(nn1)C 62a_100000210623_100000744512 [0,1,0,0,0,0|3,0,0]=4 669 B11R1.1 C=CCSc1ccc(nn1)C 62a_100000744512_100000210623 [0,1,0,0,0,0|3,0,0]=4 670 B11R1.1 C=CCSc1ccc(nn1)Cl 62a_100000068654_100000210623 [0,1,0,0,0,0|3,0,0]=4 671 B11R1.1 C=CCSc1ccc(nn1)Cl 62a_100000210623_100000068654 [0,1,0,0,0,0|3,0,0]=4 672 B11R1.1 C=CCSc1ccc(nn1)N 62a_100000210623_100010219413 [0,1,0,0,0,0|3,0,0]=4 673 B11R1.1 C=CCSc1ccc(nn1)N 62a_100010219413_100000210623 [0,1,0,0,0,0|3,0,0]=4 674 B11R1.1 C=CCSc1cnc(=O)[nH]c1 62a_100000210623_102495366499 [0,1,0,0,0,0|2,0,1]=4 675 B11R1.1 C=CCSc1cnc(=O)[nH]c1 62a_102495366499_100000210623 [0,1,0,0,0,0|2,0,1]=4 676 B11R1.1 C=CCSc1cnc(cn1)Br 62a_100000210623_100010187541 [0,1,0,0,0,0|3,0,0]=4 677 B11R1.1 C=CCSc1cnc(cn1)Br 62a_100010187541_100000210623 [0,1,0,0,0,0|3,0,0]=4 678 B11R1.1 C=CCSc1cnc(cn1)C 62a_100000210623_100011999403 [0,1,0,0,0,0|3,0,0]=4 679 B11R1.1 C=CCSc1cnc(cn1)C 62a_100011999403_100000210623 [0,1,0,0,0,0|3,0,0]=4 680 B11R1.1 C=CCSc1cnc(cn1)Cl 62a_100000210623_100010214907 [0,1,0,0,0,0|3,0,0]=4 681 B11R1.1 C=CCSc1cnc(cn1)Cl 62a_100010214907_100000210623 [0,1,0,0,0,0|3,0,0]=4 682 B11R1.1 C=CCSc1cnc(cn1)F 62a_100000210623_100009856528 [0,1,0,0,0,0|3,0,0]=4 683 B11R1.1 C=CCSc1cnc(cn1)F 62a_100009856528_100000210623 [0,1,0,0,0,0|3,0,0]=4 684 B11R1.1 C=CCSc1cnc(cn1)N 62a_100000210623_100000744751 [0,1,0,0,0,0|3,0,0]=4 685 B11R1.1 C=CCSc1cnc(cn1)N 62a_100000744751_100000210623 [0,1,0,0,0,0|3,0,0]=4 686 B11R1.1 C=CCSc1cnc(cn1)O 62a_100000210623_100015839800 [0,1,0,0,0,0|2,0,0]=3 687 B11R1.1 C=CCSc1cnc(cn1)O 62a_100011934580_100000210623 [0,1,0,0,0,0|2,0,0]=3 688 B11R1.1 C=CCSc1cnc(nc1)Br 62a_100000210623_200012349914 [0,1,0,0,0,0|3,0,0]=4 689 B11R1.1 C=CCSc1cnc(nc1)Br 62a_200012349914_100000210623 [0,1,0,0,0,0|3,0,0]=4 690 B11R1.1 C=CCSc1cnc(nc1)C 62a_100000210623_100000686985 [0,1,0,0,0,0|3,0,0]=4 691 B11R1.1 C=CCSc1cnc(nc1)C 62a_100000686985_100000210623 [0,1,0,0,0,0|3,0,0]=4 692 B11R1.1 C=CCSc1cnc(nc1)Cl 62a_100000059775_100000210623 [0,1,0,0,0,0|3,0,0]=4 693 B11R1.1 C=CCSc1cnc(nc1)Cl 62a_100000210623_100000059775 [0,1,0,0,0,0|3,0,0]=4 694 B11R1.1 C=CCSc1cnc(nc1)F 62a_100000210623_100000685262 [0,1,0,0,0,0|3,0,0]=4 695 B11R1.1 C=CCSc1cnc(nc1)F 62a_100000685262_100000210623 [0,1,0,0,0,0|3,0,0]=4 696 B11R1.1 C=CCSc1cnc(nc1)N 62a_100000210623_100000766020 [0,1,0,0,0,0|3,0,0]=4 697 B11R1.1 C=CCSc1cnc(nc1)N 62a_100000766020_100000210623 [0,1,0,0,0,0|3,0,0]=4 698 B11R1.1 C=CCSc1ncc(cn1)Br 62a_100000210623_100000690281 [0,1,0,0,0,0|3,0,0]=4 699 B11R1.1 C=CCSc1ncc(cn1)Br 62a_100000690281_100000210623 [0,1,0,0,0,0|3,0,0]=4 700 B11R1.1 C=CCSc1ncc(cn1)C 62a_100000061069_100000210623 [0,1,0,0,0,0|3,0,0]=4 701 B11R1.1 C=CCSc1ncc(cn1)C 62a_100000210623_100000061069 [0,1,0,0,0,0|3,0,0]=4 702 B11R1.1 C=CCSc1ncc(cn1)Cl 62a_100000210623_100011356929 [0,1,0,0,0,0|3,0,0]=4 703 B11R1.1 C=CCSc1ncc(cn1)Cl 62a_100011356929_100000210623 [0,1,0,0,0,0|3,0,0]=4 704 B11R1.1 C=CCSc1ncc(cn1)F 62a_100000210623_100000685220 [0,1,0,0,0,0|3,0,0]=4 705 B11R1.1 C=CCSc1ncc(cn1)F 62a_100000685220_100000210623 [0,1,0,0,0,0|3,0,0]=4 706 B11R1.1 C=CCSc1ncc(cn1)N 62a_100000068403_100000210623 [0,1,0,0,0,0|3,0,0]=4 707 B11R1.1 C=CCSc1ncc(cn1)N 62a_100000210623_100000068403 [0,1,0,0,0,0|3,0,0]=4 708 B11R1.1 C=CCSc1ncc(cn1)O 62a_100000210623_100000092845 [0,1,0,0,0,0|2,0,0]=3 709 B11R1.1 C=CCSc1ncc(cn1)O 62a_100000730009_100000210623 [0,1,0,0,0,0|2,0,0]=3 710 B11R1.1 CC=NNc1ccc(cc1)Br 4a_100000735608_200000210099 [0,1,0,0,0,0|2,0,1]=4 711 B11R1.1 CC=NNc1ccc(cc1)C 4a_100000683527_200000210099 [0,1,0,0,0,0|2,0,1]=4 712 B11R1.1 CC=NNc1ccc(cc1)Cl 4a_100000683521_200000210099 [0,1,0,0,0,0|2,0,1]=4 713 B11R1.1 CC=NNc1ccc(cc1)F 4a_100000728448_200000210099 [0,1,0,0,0,0|2,0,1]=4 714 B11R1.1 CC=NNc1ccc(cc1)I 4a_100016988836_200000210099 [0,1,0,0,0,0|2,0,1]=4 715 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [0,1,0,0,0,0|1,0,2]=4 716 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [0,1,0,0,0,0|1,0,2]=4 717 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [0,1,0,0,0,0|1,0,2]=4 718 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [0,1,0,0,0,0|1,0,2]=4 719 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [0,1,0,0,0,0|1,0,2]=4 720 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [0,1,0,0,0,0|0,0,2]=3 721 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [0,1,0,0,0,0|0,0,2]=3 722 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [0,1,0,0,0,0|1,0,2]=4 723 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [0,1,0,0,0,0|1,0,2]=4 724 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [0,1,0,0,0,0|1,0,2]=4 725 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [0,1,0,0,0,0|1,0,2]=4 726 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [0,1,0,0,0,0|1,0,2]=4 727 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [0,1,0,0,0,0|1,0,2]=4 728 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [0,1,0,0,0,0|1,0,2]=4 729 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [0,1,0,0,0,0|1,0,2]=4 730 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [0,1,0,0,0,0|0,0,2]=3 731 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [0,1,0,0,0,0|1,0,2]=4 732 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [0,1,0,0,0,0|1,0,2]=4 733 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [0,1,0,0,0,0|1,0,2]=4 734 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [0,1,0,0,0,0|1,0,2]=4 735 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [0,1,0,0,0,0|1,0,2]=4 736 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [0,1,0,0,0,0|1,0,2]=4 737 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [0,1,0,0,0,0|1,0,2]=4 738 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [0,1,0,0,0,0|1,0,2]=4 739 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [0,1,0,0,0,0|1,0,2]=4 740 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [0,1,0,0,0,0|1,0,2]=4 741 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [0,1,0,0,0,0|0,0,2]=3 742 B11R1.1 CCCOc1ccc(cn1)O 271570a_203496583355_100011465619 [0,1,0,0,0,0|1,0,2]=4 743 B11R1.1 CCCOc1ccc(nc1)O 271570a_203496583355_100000719977 [0,1,0,0,0,0|1,0,2]=4 744 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [0,1,0,0,0,0|1,0,2]=4 745 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [0,1,0,0,0,0|1,0,2]=4 746 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [0,1,0,0,0,0|1,0,2]=4 747 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [0,1,0,0,0,0|1,0,2]=4 748 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [0,1,0,0,0,0|1,0,2]=4 749 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [0,1,0,0,0,0|1,0,2]=4 750 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [0,1,0,0,0,0|1,0,2]=4 751 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [0,1,0,0,0,0|1,0,2]=4 752 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [0,1,0,0,0,0|1,0,2]=4 753 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [0,1,0,0,0,0|1,0,2]=4 754 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [0,1,0,0,0,0|0,0,2]=3 755 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [0,1,0,0,0,0|0,0,2]=3 756 B11R1.1 CCCSc1ccc(cn1)O 62a_100000210303_100000744096 [0,1,0,0,0,0|1,0,2]=4 757 B11R1.1 CCCSc1ccc(cn1)O 62a_100000685995_100000210303 [0,1,0,0,0,0|1,0,2]=4 758 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [0,1,0,0,0,0|1,0,2]=4 759 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [0,1,0,0,0,0|1,0,2]=4 760 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [0,1,0,0,0,0|1,0,2]=4 761 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [0,1,0,0,0,0|1,0,2]=4 762 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [0,1,0,0,0,0|1,0,2]=4 763 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [0,1,0,0,0,0|1,0,2]=4 764 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [0,1,0,0,0,0|1,0,2]=4 765 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [0,1,0,0,0,0|1,0,2]=4 766 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [0,1,0,0,0,0|1,0,2]=4 767 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [0,1,0,0,0,0|1,0,2]=4 768 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [0,1,0,0,0,0|1,0,2]=4 769 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [0,1,0,0,0,0|1,0,2]=4 770 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [0,1,0,0,0,0|1,0,2]=4 771 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [0,1,0,0,0,0|1,0,2]=4 772 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [0,1,0,0,0,0|1,0,2]=4 773 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [0,1,0,0,0,0|1,0,2]=4 774 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [0,1,0,0,0,0|1,0,2]=4 775 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [0,1,0,0,0,0|1,0,2]=4 776 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [0,1,0,0,0,0|1,0,2]=4 777 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [0,1,0,0,0,0|1,0,2]=4 778 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [0,1,0,0,0,0|1,0,2]=4 779 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [0,1,0,0,0,0|1,0,2]=4 780 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [0,1,0,0,0,0|1,0,2]=4 781 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [0,1,0,0,0,0|1,0,2]=4 782 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [0,1,0,0,0,0|0,0,2]=3 783 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [0,1,0,0,0,0|0,0,2]=3 784 B11R1.1 CCNCc1ccc(nc1)O 207a_100015525214_100011361521 [0,1,0,0,0,0|1,0,2]=4 785 B11R1.1 CCNCc1ccc(nc1)O 2230a_100000757128_100000210202 [0,1,0,0,0,0|1,0,2]=4 786 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [0,1,0,0,0,0|1,0,2]=4 787 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [0,1,0,0,0,0|1,0,2]=4 788 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [0,1,0,0,0,0|1,0,2]=4 789 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [0,1,0,0,0,0|1,0,2]=4 790 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [0,1,0,0,0,0|1,0,2]=4 791 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [0,1,0,0,0,0|1,0,2]=4 792 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [0,1,0,0,0,0|1,0,2]=4 793 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [0,1,0,0,0,0|1,0,2]=4 794 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [0,1,0,0,0,0|1,0,2]=4 795 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [0,1,0,0,0,0|1,0,2]=4 796 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [0,1,0,0,0,0|1,0,2]=4 797 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [0,1,0,0,0,0|1,0,2]=4 798 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [0,1,0,0,0,0|1,0,2]=4 799 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [0,1,0,0,0,0|1,0,2]=4 800 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [0,1,0,0,0,0|1,0,2]=4 801 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [0,1,0,0,0,0|0,0,2]=3 802 B11R1.1 CCOCc1ccc(nc1)O 271570a_203496583355_100011206209 [0,1,0,0,0,0|1,0,2]=4 803 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [0,1,0,0,0,0|1,0,2]=4 804 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [0,1,0,0,0,0|1,0,2]=4 805 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [0,1,0,0,0,0|1,0,2]=4 806 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [0,1,0,0,0,0|1,0,2]=4 807 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [0,1,0,0,0,0|1,0,2]=4 808 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [0,1,0,0,0,0|1,0,2]=4 809 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [0,1,0,0,0,0|1,0,2]=4 810 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [0,1,0,0,0,0|1,0,2]=4 811 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [0,1,0,0,0,0|1,0,2]=4 812 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [0,1,0,0,0,0|1,0,2]=4 813 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [0,1,0,0,0,0|1,0,2]=4 814 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [0,1,0,0,0,0|1,0,2]=4 815 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [0,1,0,0,0,0|1,0,2]=4 816 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [0,1,0,0,0,0|1,0,2]=4 817 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [0,1,0,0,0,0|1,0,2]=4 818 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [0,1,0,0,0,0|1,0,2]=4 819 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [0,1,0,0,0,0|1,0,2]=4 820 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [0,1,0,0,0,0|1,0,2]=4 821 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [0,1,0,0,0,0|1,0,2]=4 822 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [0,1,0,0,0,0|1,0,2]=4 823 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [0,1,0,0,0,0|1,0,2]=4 824 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [0,1,0,0,0,0|1,0,2]=4 825 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [0,1,0,0,0,0|1,0,2]=4 826 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [0,1,0,0,0,0|1,0,2]=4 827 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [0,1,0,0,0,0|1,0,2]=4 828 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [0,1,0,0,0,0|1,0,2]=4 829 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [0,1,0,0,0,0|1,0,2]=4 830 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [0,1,0,0,0,0|1,0,2]=4 831 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [0,1,0,0,0,0|1,0,2]=4 832 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [0,1,0,0,0,0|1,0,2]=4 833 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [0,1,0,0,0,0|0,0,2]=3 834 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [0,1,0,0,0,0|0,0,2]=3 835 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [0,1,0,0,0,0|0,0,2]=3 836 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [0,1,0,0,0,0|0,0,2]=3 837 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [0,1,0,0,0,0|0,0,2]=3 838 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [0,1,0,0,0,0|1,0,2]=4 839 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [0,1,0,0,0,0|1,0,2]=4 840 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [0,1,0,0,0,0|1,0,2]=4 841 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [0,1,0,0,0,0|1,0,2]=4 842 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [0,1,0,0,0,0|1,0,2]=4 843 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [0,1,0,0,0,0|1,0,2]=4 844 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [0,1,0,0,0,0|1,0,2]=4 845 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [0,1,0,0,0,0|1,0,2]=4 846 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [0,1,0,0,0,0|1,0,2]=4 847 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [0,1,0,0,0,0|1,0,2]=4 848 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [0,1,0,0,0,0|1,0,2]=4 849 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [0,1,0,0,0,0|1,0,2]=4 850 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [0,1,0,0,0,0|1,0,2]=4 851 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [0,1,0,0,0,0|1,0,2]=4 852 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [0,1,0,0,0,0|1,0,2]=4 853 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [0,1,0,0,0,0|0,0,2]=3 854 B11R1.1 COCNc1ccc(cc1)Br 2230a_100000210018_100000766300 [0,1,0,0,0,0|2,0,1]=4 855 B11R1.1 COCNc1ccc(cc1)Cl 2230a_100000210052_100000766300 [0,1,0,0,0,0|2,0,1]=4 856 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [0,1,0,0,0,0|1,0,1]=3 857 B11R1.1 COCOc1ccc(nc1)O 271570a_203496583355_100012568617 [0,1,0,0,0,0|2,0,1]=4 858 B11R1.1 COCSc1ccc(cc1)Br 62a_100000752885_100000766300 [0,1,0,0,0,0|2,0,1]=4 859 B11R1.1 COCSc1ccc(cc1)Br 62a_100000766300_100000752885 [0,1,0,0,0,0|2,0,1]=4 860 B11R1.1 COCSc1ccc(cc1)C 62a_100000186775_100000766300 [0,1,0,0,0,0|2,0,1]=4 861 B11R1.1 COCSc1ccc(cc1)C 62a_100000766300_100000186775 [0,1,0,0,0,0|2,0,1]=4 862 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000755918_100000766300 [0,1,0,0,0,0|2,0,1]=4 863 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000766300_100000755918 [0,1,0,0,0,0|2,0,1]=4 864 B11R1.1 COCSc1ccc(cc1)F 62a_100000211213_100000766300 [0,1,0,0,0,0|2,0,1]=4 865 B11R1.1 COCSc1ccc(cc1)F 62a_100000766300_100000211213 [0,1,0,0,0,0|2,0,1]=4 866 B11R1.1 COCSc1ccc(cc1)N 62a_100000185761_100000766300 [0,1,0,0,0,0|2,0,1]=4 867 B11R1.1 COCSc1ccc(cc1)N 62a_100000766300_100000185761 [0,1,0,0,0,0|2,0,1]=4 868 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [0,1,0,0,0,0|1,0,1]=3 869 B11R1.1 COCSc1ccc(cn1)O 62a_100000685995_100000766300 [0,1,0,0,0,0|2,0,1]=4 870 B11R1.1 COCSc1ccc(cn1)O 62a_100000766300_100000744096 [0,1,0,0,0,0|2,0,1]=4 871 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [0,1,0,0,0,0|1,0,2]=4 872 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [0,1,0,0,0,0|1,0,2]=4 873 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [0,1,0,0,0,0|1,0,2]=4 874 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [0,1,0,0,0,0|1,0,2]=4 875 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [0,1,0,0,0,0|1,0,2]=4 876 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [0,1,0,0,0,0|1,0,2]=4 877 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [0,1,0,0,0,0|1,0,2]=4 878 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [0,1,0,0,0,0|1,0,2]=4 879 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [0,1,0,0,0,0|0,0,2]=3 880 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [0,1,0,0,0,0|0,0,2]=3 881 B11R1.1 CSCNc1ccc(cc1)Br 2230a_100000210018_100011218213 [0,1,0,0,0,0|2,0,1]=4 882 B11R1.1 CSCNc1ccc(cc1)Br 34a_100000210018_100011218213 [0,1,0,0,0,0|2,0,1]=4 883 B11R1.1 CSCNc1ccc(cc1)C 34a_100000124888_100011218213 [0,1,0,0,0,0|2,0,1]=4 884 B11R1.1 CSCNc1ccc(cc1)Cl 2230a_100000210052_100011218213 [0,1,0,0,0,0|2,0,1]=4 885 B11R1.1 CSCNc1ccc(cc1)Cl 34a_100000210052_100011218213 [0,1,0,0,0,0|2,0,1]=4 886 B11R1.1 CSCNc1ccc(cc1)F 34a_100000185862_100011218213 [0,1,0,0,0,0|2,0,1]=4 887 B11R1.1 CSCNc1ccc(cc1)I 34a_100000185761_100011218213 [0,1,0,0,0,0|2,0,1]=4 888 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [0,1,0,0,0,0|1,0,1]=3 889 B11R1.1 CSCOc1ccc(cc1)Br 34a_100000185759_100011218213 [0,1,0,0,0,0|2,0,1]=4 890 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [0,1,0,0,0,0|2,0,1]=4 891 B11R1.1 CSCOc1ccc(cc1)Cl 34a_100000210216_100011218213 [0,1,0,0,0,0|2,0,1]=4 892 B11R1.1 CSCOc1ccc(cc1)F 34a_100000210339_100011218213 [0,1,0,0,0,0|2,0,1]=4 893 B11R1.1 CSCOc1ccc(cc1)I 34a_100000212066_100011218213 [0,1,0,0,0,0|2,0,1]=4 894 B11R1.1 CSCOc1ccc(cc1)N 34a_100000185829_100011218213 [0,1,0,0,0,0|2,0,1]=4 895 B11R1.1 CSCSc1ccc(cc1)Br 62a_100000752885_100011218213 [0,1,0,0,0,0|2,0,1]=4 896 B11R1.1 CSCSc1ccc(cc1)Br 62a_100011218213_100000752885 [0,1,0,0,0,0|2,0,1]=4 897 B11R1.1 CSCSc1ccc(cc1)C 62a_100000186775_100011218213 [0,1,0,0,0,0|2,0,1]=4 898 B11R1.1 CSCSc1ccc(cc1)C 62a_100011218213_100000186775 [0,1,0,0,0,0|2,0,1]=4 899 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100000755918_100011218213 [0,1,0,0,0,0|2,0,1]=4 900 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100011218213_100000755918 [0,1,0,0,0,0|2,0,1]=4 901 B11R1.1 CSCSc1ccc(cc1)F 62a_100000211213_100011218213 [0,1,0,0,0,0|2,0,1]=4 902 B11R1.1 CSCSc1ccc(cc1)F 62a_100011218213_100000211213 [0,1,0,0,0,0|2,0,1]=4 903 B11R1.1 CSCSc1ccc(cc1)N 62a_100000185761_100011218213 [0,1,0,0,0,0|2,0,1]=4 904 B11R1.1 CSCSc1ccc(cc1)N 62a_100011218213_100000185761 [0,1,0,0,0,0|2,0,1]=4 905 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [0,1,0,0,0,0|1,0,1]=3 906 B11R1.1 CSCSc1ccc(cn1)O 62a_100000685995_100011218213 [0,1,0,0,0,0|2,0,1]=4 907 B11R1.1 CSCSc1ccc(cn1)O 62a_100011218213_100000744096 [0,1,0,0,0,0|2,0,1]=4 908 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [0,1,0,0,0,0|1,0,2]=4 909 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [0,1,0,0,0,0|1,0,2]=4 910 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [0,1,0,0,0,0|1,0,2]=4 911 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [0,1,0,0,0,0|1,0,2]=4 912 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [0,1,0,0,0,0|1,0,2]=4 913 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [0,1,0,0,0,0|1,0,2]=4 914 B11R1.1 Cc1ccc(cc1)CNCF 34a_100000174908_100015361967 [0,1,0,0,0,0|2,0,1]=4 915 B11R1.1 Cc1ccc(cc1)COCF 34a_100011215236_100015361967 [0,1,0,0,0,0|2,0,1]=4 916 B11R1.1 Cc1ccc(cc1)COCF 7a_100011215236_100015361967 [0,1,0,0,0,0|2,0,1]=4 917 B11R1.1 Cc1ccc(cc1)CSCF 62a_100000210814_100015361967 [0,1,0,0,0,0|2,0,1]=4 918 B11R1.1 Cc1ccc(cc1)CSCF 62a_100015361967_100000210814 [0,1,0,0,0,0|2,0,1]=4 919 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [0,1,0,0,0,0|2,0,0]=3 920 B11R1.1 Cc1ccc(cc1)NCCF 34a_100000124888_100011217306 [0,1,0,0,0,0|2,0,1]=4 921 B11R1.1 Cc1ccc(cc1)NCCO 34a_100000124888_100000211926 [0,1,0,0,0,0|2,0,1]=4 922 B11R1.1 Cc1ccc(cc1)OCC#N 7a_100000210336_100011215382 [0,1,0,0,0,0|2,0,1]=4 923 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [0,1,0,0,0,0|2,0,0]=3 924 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [0,1,0,0,0,0|2,0,0]=3 925 B11R1.1 Cc1ccc(cc1)OCCF 34a_100000210336_100011217306 [0,1,0,0,0,0|2,0,1]=4 926 B11R1.1 Cc1ccc(cc1)OCCF 7a_100000210336_100011217306 [0,1,0,0,0,0|2,0,1]=4 927 B11R1.1 Cc1ccc(cc1)OCCO 34a_100000210336_100000211926 [0,1,0,0,0,0|2,0,1]=4 928 B11R1.1 Cc1ccc(cc1)OCCO 7a_100000210336_100000211926 [0,1,0,0,0,0|2,0,1]=4 929 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100000186775_100011215382 [0,1,0,0,0,0|2,0,1]=4 930 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100011215382_100000186775 [0,1,0,0,0,0|2,0,1]=4 931 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [0,1,0,0,0,0|2,0,0]=3 932 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [0,1,0,0,0,0|2,0,0]=3 933 B11R1.1 Cc1ccc(cc1)SCCF 62a_100000186775_100011217306 [0,1,0,0,0,0|2,0,1]=4 934 B11R1.1 Cc1ccc(cc1)SCCF 62a_100011217306_100000186775 [0,1,0,0,0,0|2,0,1]=4 935 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000186775_100000211926 [0,1,0,0,0,0|2,0,1]=4 936 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000211926_100000186775 [0,1,0,0,0,0|2,0,1]=4 937 B11R1.1 Cc1ccc(cn1)OCC=O 34a_100000745506_200009817547 [0,1,0,0,0,0|3,0,0]=4 938 B11R1.1 Cc1ccc(cn1)OCC=O 7a_100000745506_200015260668 [0,1,0,0,0,0|3,0,0]=4 939 B11R1.1 Cc1ccc(cn1)SCC=O 62a_100000751577_200015260668 [0,1,0,0,0,0|3,0,0]=4 940 B11R1.1 Cc1ccc(cn1)SCC=O 62a_200015260668_100000751577 [0,1,0,0,0,0|3,0,0]=4 941 B11R1.1 Cc1ccc(nc1)OCC=O 34a_100000759353_200009817547 [0,1,0,0,0,0|3,0,0]=4 942 B11R1.1 Cc1ccc(nc1)SCC=O 62a_100011192072_200015260668 [0,1,0,0,0,0|3,0,0]=4 943 B11R1.1 Cc1ccc(nc1)SCC=O 62a_200015260668_100000754016 [0,1,0,0,0,0|3,0,0]=4 944 B11R1.1 FCCNc1ccc(cc1)Br 2230a_100000210018_100011217306 [0,1,0,0,0,0|2,0,1]=4 945 B11R1.1 FCCNc1ccc(cc1)Br 34a_100000210018_100011217306 [0,1,0,0,0,0|2,0,1]=4 946 B11R1.1 FCCNc1ccc(cc1)Cl 2230a_100000210052_100011217306 [0,1,0,0,0,0|2,0,1]=4 947 B11R1.1 FCCNc1ccc(cc1)Cl 34a_100000210052_100011217306 [0,1,0,0,0,0|2,0,1]=4 948 B11R1.1 FCCNc1ccc(cc1)F 34a_100000185862_100011217306 [0,1,0,0,0,0|2,0,1]=4 949 B11R1.1 FCCNc1ccc(cc1)I 34a_100000185761_100011217306 [0,1,0,0,0,0|2,0,1]=4 950 B11R1.1 FCCOc1ccc(cc1)Br 34a_100000185759_100011217306 [0,1,0,0,0,0|2,0,1]=4 951 B11R1.1 FCCOc1ccc(cc1)Br 7a_100000185759_100011217306 [0,1,0,0,0,0|2,0,1]=4 952 B11R1.1 FCCOc1ccc(cc1)Cl 34a_100000210216_100011217306 [0,1,0,0,0,0|2,0,1]=4 953 B11R1.1 FCCOc1ccc(cc1)Cl 7a_100000210216_100011217306 [0,1,0,0,0,0|2,0,1]=4 954 B11R1.1 FCCOc1ccc(cc1)F 34a_100000210339_100011217306 [0,1,0,0,0,0|2,0,1]=4 955 B11R1.1 FCCOc1ccc(cc1)I 34a_100000212066_100011217306 [0,1,0,0,0,0|2,0,1]=4 956 B11R1.1 FCCOc1ccc(cc1)I 7a_100000212066_100011217306 [0,1,0,0,0,0|2,0,1]=4 957 B11R1.1 FCCSc1ccc(cc1)Br 62a_100000752885_100011217306 [0,1,0,0,0,0|2,0,1]=4 958 B11R1.1 FCCSc1ccc(cc1)Br 62a_100011217306_100000752885 [0,1,0,0,0,0|2,0,1]=4 959 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100000755918_100011217306 [0,1,0,0,0,0|2,0,1]=4 960 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100011217306_100000755918 [0,1,0,0,0,0|2,0,1]=4 961 B11R1.1 FCCSc1ccc(cc1)F 62a_100000211213_100011217306 [0,1,0,0,0,0|2,0,1]=4 962 B11R1.1 FCCSc1ccc(cc1)F 62a_100011217306_100000211213 [0,1,0,0,0,0|2,0,1]=4 963 B11R1.1 FCNCc1ccc(cc1)Br 34a_100000174875_100015361967 [0,1,0,0,0,0|2,0,1]=4 964 B11R1.1 FCNCc1ccc(cc1)Cl 34a_100000174871_100015361967 [0,1,0,0,0,0|2,0,1]=4 965 B11R1.1 FCNCc1ccc(cc1)F 34a_100000174882_100015361967 [0,1,0,0,0,0|2,0,1]=4 966 B11R1.1 FCNCc1ccc(cc1)I 34a_100016989417_100015361967 [0,1,0,0,0,0|2,0,1]=4 967 B11R1.1 FCOCc1ccc(cc1)Br 34a_100000695286_100015361967 [0,1,0,0,0,0|2,0,1]=4 968 B11R1.1 FCOCc1ccc(cc1)Cl 34a_100000211118_100015361967 [0,1,0,0,0,0|2,0,1]=4 969 B11R1.1 FCOCc1ccc(cc1)Cl 7a_100000211118_100015361967 [0,1,0,0,0,0|2,0,1]=4 970 B11R1.1 FCOCc1ccc(cc1)F 34a_100000210977_100015361967 [0,1,0,0,0,0|2,0,1]=4 971 B11R1.1 FCOCc1ccc(cc1)F 7a_100000210977_100015361967 [0,1,0,0,0,0|2,0,1]=4 972 B11R1.1 FCOCc1ccc(cc1)I 34a_100000690907_100015361967 [0,1,0,0,0,0|2,0,1]=4 973 B11R1.1 FCOCc1ccc(cc1)I 7a_100000690907_100015361967 [0,1,0,0,0,0|2,0,1]=4 974 B11R1.1 FCSCc1ccc(cc1)Br 62a_100000189115_100015361967 [0,1,0,0,0,0|2,0,1]=4 975 B11R1.1 FCSCc1ccc(cc1)Br 62a_100015361967_100000189115 [0,1,0,0,0,0|2,0,1]=4 976 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100000187161_100015361967 [0,1,0,0,0,0|2,0,1]=4 977 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100015361967_100000187161 [0,1,0,0,0,0|2,0,1]=4 978 B11R1.1 FCSCc1ccc(cc1)F 62a_100000198546_100015361967 [0,1,0,0,0,0|2,0,1]=4 979 B11R1.1 FCSCc1ccc(cc1)F 62a_100015361967_100000187164 [0,1,0,0,0,0|2,0,1]=4 980 B11R1.1 FCSCc1ccc(cc1)I 62a_100000189116_100015361967 [0,1,0,0,0,0|2,0,1]=4 981 B11R1.1 FCSCc1ccc(cc1)I 62a_100015361967_100000189116 [0,1,0,0,0,0|2,0,1]=4 982 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [0,1,0,0,0,0|0,0,2]=3 983 B11R1.1 N#CCNc1ccc(cc1)Br 2230a_100000210018_100011215382 [0,1,0,0,0,0|2,0,1]=4 984 B11R1.1 N#CCNc1ccc(cc1)Cl 2230a_100000210052_100011215382 [0,1,0,0,0,0|2,0,1]=4 985 B11R1.1 N#CCOc1ccc(cc1)Br 7a_100000185759_100011215382 [0,1,0,0,0,0|2,0,1]=4 986 B11R1.1 N#CCOc1ccc(cc1)Cl 7a_100000210216_100011215382 [0,1,0,0,0,0|2,0,1]=4 987 B11R1.1 N#CCOc1ccc(cc1)I 7a_100000212066_100011215382 [0,1,0,0,0,0|2,0,1]=4 988 B11R1.1 N#CCOc1ccc(cc1)O 271570a_203496583355_200000169425 [0,1,0,0,0,0|1,0,1]=3 989 B11R1.1 N#CCSc1ccc(cc1)Br 62a_100000752885_100011215382 [0,1,0,0,0,0|2,0,1]=4 990 B11R1.1 N#CCSc1ccc(cc1)Br 62a_100011215382_100000752885 [0,1,0,0,0,0|2,0,1]=4 991 B11R1.1 N#CCSc1ccc(cc1)Cl 62a_100000755918_100011215382 [0,1,0,0,0,0|2,0,1]=4 992 B11R1.1 N#CCSc1ccc(cc1)Cl 62a_100011215382_100000755918 [0,1,0,0,0,0|2,0,1]=4 993 B11R1.1 N#CCSc1ccc(cc1)F 62a_100000211213_100011215382 [0,1,0,0,0,0|2,0,1]=4 994 B11R1.1 N#CCSc1ccc(cc1)F 62a_100011215382_100000211213 [0,1,0,0,0,0|2,0,1]=4 995 B11R1.1 N#CCSc1ccc(cc1)N 62a_100000185761_100011215382 [0,1,0,0,0,0|2,0,1]=4 996 B11R1.1 N#CCSc1ccc(cc1)N 62a_100011215382_100000185761 [0,1,0,0,0,0|2,0,1]=4 997 B11R1.1 N#CCSc1ccc(cc1)O 62a_100011215382_100000185759 [0,1,0,0,0,0|1,0,1]=3 998 B11R1.1 N#CCSc1ccc(cn1)O 62a_100000685995_100011215382 [0,1,0,0,0,0|2,0,1]=4 999 B11R1.1 N#CCSc1ccc(cn1)O 62a_100011215382_100000744096 [0,1,0,0,0,0|2,0,1]=4 1000 B11R1.1 N#CSCc1ccc(cc1)O 271570a_203496583355_200010141448 [0,1,0,0,0,0|1,0,1]=3 1001 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [0,1,0,0,0,0|0,0,2]=3 1002 B11R1.1 NCCNc1ccc(cn1)O 271570a_203496583355_200011214600 [0,1,0,0,0,0|2,0,1]=4 1003 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [0,1,0,0,0,0|1,0,1]=3 1004 B11R1.1 NCCSc1ccc(cc1)O 271570a_203496583355_100000184645 [0,1,0,0,0,0|1,0,1]=3 1005 B11R1.1 Nc1ccc(cc1)COCF 34a_100011215238_100015361967 [0,1,0,0,0,0|2,0,1]=4 1006 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [0,1,0,0,0,0|2,0,0]=3 1007 B11R1.1 Nc1ccc(cc1)OCCF 34a_100000185829_100011217306 [0,1,0,0,0,0|2,0,1]=4 1008 B11R1.1 Nc1ccc(cc1)OCCO 34a_100000185829_100000211926 [0,1,0,0,0,0|2,0,1]=4 1009 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [0,1,0,0,0,0|2,0,0]=3 1010 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [0,1,0,0,0,0|2,0,0]=3 1011 B11R1.1 Nc1ccc(cc1)SCCF 62a_100000185761_100011217306 [0,1,0,0,0,0|2,0,1]=4 1012 B11R1.1 Nc1ccc(cc1)SCCF 62a_100011217306_100000185761 [0,1,0,0,0,0|2,0,1]=4 1013 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000185761_100000211926 [0,1,0,0,0,0|2,0,1]=4 1014 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000211926_100000185761 [0,1,0,0,0,0|2,0,1]=4 1015 B11R1.1 Nc1ccc(cn1)OCC=O 34a_100015188713_200009817547 [0,1,0,0,0,0|3,0,0]=4 1016 B11R1.1 Nc1ccc(cn1)OCC=O 7a_100015188713_200015260668 [0,1,0,0,0,0|3,0,0]=4 1017 B11R1.1 Nc1ccc(cn1)SCC=O 62a_100000187370_200015260668 [0,1,0,0,0,0|3,0,0]=4 1018 B11R1.1 Nc1ccc(cn1)SCC=O 62a_200015260668_100000187370 [0,1,0,0,0,0|3,0,0]=4 1019 B11R1.1 Nc1ccc(nc1)OCC=O 34a_100000729260_200009817547 [0,1,0,0,0,0|3,0,0]=4 1020 B11R1.1 Nc1ccc(nc1)SCC=O 62a_100000737798_200015260668 [0,1,0,0,0,0|3,0,0]=4 1021 B11R1.1 Nc1ccc(nc1)SCC=O 62a_200015260668_100000737798 [0,1,0,0,0,0|3,0,0]=4 1022 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [0,1,0,0,0,0|0,0,1]=2 1023 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [0,1,0,0,0,0|2,0,0]=3 1024 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [0,1,0,0,0,0|2,0,0]=3 1025 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [0,1,0,0,0,0|2,0,0]=3 1026 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [0,1,0,0,0,0|2,0,0]=3 1027 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [0,1,0,0,0,0|2,0,0]=3 1028 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [0,1,0,0,0,0|2,0,0]=3 1029 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [0,1,0,0,0,0|1,0,0]=2 1030 B11R1.1 O=CCOc1ccc(=O)[nH]c1 34a_100000075641_200009817547 [0,1,0,0,0,0|2,0,1]=4 1031 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [0,1,0,0,0,0|2,0,0]=3 1032 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [0,1,0,0,0,0|2,0,0]=3 1033 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [0,1,0,0,0,0|2,0,0]=3 1034 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [0,1,0,0,0,0|2,0,0]=3 1035 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [0,1,0,0,0,0|2,0,0]=3 1036 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [0,1,0,0,0,0|2,0,0]=3 1037 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [0,1,0,0,0,0|2,0,0]=3 1038 B11R1.1 O=CCOc1ccc(cn1)Cl 34a_100011215309_200009817547 [0,1,0,0,0,0|3,0,0]=4 1039 B11R1.1 O=CCOc1ccc(cn1)F 34a_100000742473_200009817547 [0,1,0,0,0,0|3,0,0]=4 1040 B11R1.1 O=CCOc1ccc(nc1)Br 34a_100000685995_200009817547 [0,1,0,0,0,0|3,0,0]=4 1041 B11R1.1 O=CCOc1ccc(nc1)Br 7a_100000685995_200015260668 [0,1,0,0,0,0|3,0,0]=4 1042 B11R1.1 O=CCOc1ccc(nc1)Cl 34a_100000744096_200009817547 [0,1,0,0,0,0|3,0,0]=4 1043 B11R1.1 O=CCOc1ccc(nc1)Cl 7a_100000744096_200015260668 [0,1,0,0,0,0|3,0,0]=4 1044 B11R1.1 O=CCOc1ccc(nc1)F 34a_100000688820_200009817547 [0,1,0,0,0,0|3,0,0]=4 1045 B11R1.1 O=CCOc1ccc(nc1)F 7a_100000688820_200015260668 [0,1,0,0,0,0|3,0,0]=4 1046 B11R1.1 O=CCOc1ccc(nc1)I 34a_100000687607_200009817547 [0,1,0,0,0,0|3,0,0]=4 1047 B11R1.1 O=CCOc1ccc(nc1)I 7a_100000687607_200015260668 [0,1,0,0,0,0|3,0,0]=4 1048 B11R1.1 O=CCSc1cc[n+](cc1)[O-] 62a_200015260668_100000039755 [0,1,0,0,0,0|2,0,1]=4 1049 B11R1.1 O=CCSc1ccc(=O)[nH]c1 62a_100000212171_200015260668 [0,1,0,0,0,0|2,0,1]=4 1050 B11R1.1 O=CCSc1ccc(=O)[nH]c1 62a_200015260668_100000212171 [0,1,0,0,0,0|2,0,1]=4 1051 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [0,1,0,0,0,0|2,0,0]=3 1052 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [0,1,0,0,0,0|2,0,0]=3 1053 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [0,1,0,0,0,0|2,0,0]=3 1054 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [0,1,0,0,0,0|2,0,0]=3 1055 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [0,1,0,0,0,0|2,0,0]=3 1056 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [0,1,0,0,0,0|2,0,0]=3 1057 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [0,1,0,0,0,0|1,0,0]=2 1058 B11R1.1 O=CCSc1ccc(cn1)Br 62a_100000686858_200015260668 [0,1,0,0,0,0|3,0,0]=4 1059 B11R1.1 O=CCSc1ccc(cn1)Br 62a_200015260668_100000686858 [0,1,0,0,0,0|3,0,0]=4 1060 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_100011356976_200015260668 [0,1,0,0,0,0|3,0,0]=4 1061 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_200015260668_100011356976 [0,1,0,0,0,0|3,0,0]=4 1062 B11R1.1 O=CCSc1ccc(cn1)F 62a_100000744514_200015260668 [0,1,0,0,0,0|3,0,0]=4 1063 B11R1.1 O=CCSc1ccc(cn1)F 62a_200015260668_100000744514 [0,1,0,0,0,0|3,0,0]=4 1064 B11R1.1 O=CCSc1ccc(cn1)O 62a_100000685995_200015260668 [0,1,0,0,0,0|2,0,0]=3 1065 B11R1.1 O=CCSc1ccc(cn1)O 62a_200015260668_100000744096 [0,1,0,0,0,0|2,0,0]=3 1066 B11R1.1 O=CCSc1ccc(nc1)Br 62a_100009814638_200015260668 [0,1,0,0,0,0|3,0,0]=4 1067 B11R1.1 O=CCSc1ccc(nc1)Br 62a_200015260668_100009814638 [0,1,0,0,0,0|3,0,0]=4 1068 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_100000034144_200015260668 [0,1,0,0,0,0|3,0,0]=4 1069 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_200015260668_100000034144 [0,1,0,0,0,0|3,0,0]=4 1070 B11R1.1 O=CCSc1ccc(nc1)F 62a_100000042367_200015260668 [0,1,0,0,0,0|3,0,0]=4 1071 B11R1.1 O=CCSc1ccc(nc1)F 62a_200015260668_100000042367 [0,1,0,0,0,0|3,0,0]=4 1072 B11R1.1 O=CCSc1cnc(cn1)O 62a_100011934580_200015260668 [0,1,0,0,0,0|3,0,0]=4 1073 B11R1.1 O=CCSc1cnc(cn1)O 62a_200015260668_100015839800 [0,1,0,0,0,0|3,0,0]=4 1074 B11R1.1 O=CCSc1ncc(cn1)O 62a_100000730009_200015260668 [0,1,0,0,0,0|3,0,0]=4 1075 B11R1.1 O=CCSc1ncc(cn1)O 62a_200015260668_100000092845 [0,1,0,0,0,0|3,0,0]=4 1076 B11R1.1 OCC#Cc1ccc(cc1)O 271570a_203496583355_100009814260 [0,1,0,0,0,0|0,0,3]=4 1077 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [0,1,0,0,0,0|0,0,2]=3 1078 B11R1.1 OCCNc1ccc(cc1)Br 2230a_100000210018_100000211926 [0,1,0,0,0,0|2,0,1]=4 1079 B11R1.1 OCCNc1ccc(cc1)Br 34a_100000210018_100000211926 [0,1,0,0,0,0|2,0,1]=4 1080 B11R1.1 OCCNc1ccc(cc1)Cl 2230a_100000210052_100000211926 [0,1,0,0,0,0|2,0,1]=4 1081 B11R1.1 OCCNc1ccc(cc1)Cl 34a_100000210052_100000211926 [0,1,0,0,0,0|2,0,1]=4 1082 B11R1.1 OCCNc1ccc(cc1)F 34a_100000185862_100000211926 [0,1,0,0,0,0|2,0,1]=4 1083 B11R1.1 OCCNc1ccc(cc1)I 34a_100000185761_100000211926 [0,1,0,0,0,0|2,0,1]=4 1084 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [0,1,0,0,0,0|1,0,1]=3 1085 B11R1.1 OCCOc1ccc(cc1)Br 34a_100000185759_100000211926 [0,1,0,0,0,0|2,0,1]=4 1086 B11R1.1 OCCOc1ccc(cc1)Br 7a_100000185759_100000211926 [0,1,0,0,0,0|2,0,1]=4 1087 B11R1.1 OCCOc1ccc(cc1)Cl 34a_100000210216_100000211926 [0,1,0,0,0,0|2,0,1]=4 1088 B11R1.1 OCCOc1ccc(cc1)Cl 7a_100000210216_100000211926 [0,1,0,0,0,0|2,0,1]=4 1089 B11R1.1 OCCOc1ccc(cc1)F 34a_100000210339_100000211926 [0,1,0,0,0,0|2,0,1]=4 1090 B11R1.1 OCCOc1ccc(cc1)I 34a_100000212066_100000211926 [0,1,0,0,0,0|2,0,1]=4 1091 B11R1.1 OCCOc1ccc(cc1)I 7a_100000212066_100000211926 [0,1,0,0,0,0|2,0,1]=4 1092 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [0,1,0,0,0,0|1,0,1]=3 1093 B11R1.1 OCCOc1ccc(nc1)O 271570a_203496583355_200013150534 [0,1,0,0,0,0|2,0,1]=4 1094 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000211926_100000752885 [0,1,0,0,0,0|2,0,1]=4 1095 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000752885_100000211926 [0,1,0,0,0,0|2,0,1]=4 1096 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000211926_100000755918 [0,1,0,0,0,0|2,0,1]=4 1097 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000755918_100000211926 [0,1,0,0,0,0|2,0,1]=4 1098 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211213_100000211926 [0,1,0,0,0,0|2,0,1]=4 1099 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211926_100000211213 [0,1,0,0,0,0|2,0,1]=4 1100 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [0,1,0,0,0,0|1,0,1]=3 1101 B11R1.1 OCCSc1ccc(cn1)O 62a_100000211926_100000744096 [0,1,0,0,0,0|2,0,1]=4 1102 B11R1.1 OCCSc1ccc(cn1)O 62a_100000685995_100000211926 [0,1,0,0,0,0|2,0,1]=4 1103 B11R1.1 Oc1ccc(cc1)CNCF 34a_100000185549_100015361967 [0,1,0,0,0,0|1,0,1]=3 1104 B11R1.1 Oc1ccc(cc1)NCCF 34a_100000185829_100011217306 [0,1,0,0,0,0|1,0,1]=3 1105 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [0,1,0,0,0,0|1,0,1]=3 1106 B11R1.1 Oc1ccc(cc1)SCCF 62a_100011217306_100000185759 [0,1,0,0,0,0|1,0,1]=3 1107 B11R1.1 Oc1ccc(nc1)SCCF 62a_100000685995_100011217306 [0,1,0,0,0,0|2,0,1]=4 1108 B11R1.1 Oc1ccc(nc1)SCCF 62a_100011217306_100000744096 [0,1,0,0,0,0|2,0,1]=4 1109 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [0,1,0,0,0,0|1,0,2]=4 1110 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [0,1,0,0,0,0|1,0,2]=4 1111 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [0,1,0,0,0,0|1,0,2]=4 1112 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [0,1,0,0,0,0|1,0,2]=4 1113 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [0,1,0,0,0,0|1,0,2]=4 1114 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [0,1,0,0,0,0|1,0,2]=4 1115 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [0,1,0,0,0,0|0,0,2]=3 1116 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [0,1,0,0,0,0|1,0,2]=4 1117 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [0,1,0,0,0,0|1,0,2]=4 1118 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [0,1,0,0,0,0|1,0,2]=4 1119 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [0,1,0,0,0,0|1,0,2]=4 1120 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [0,1,0,0,0,0|1,0,2]=4 1121 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [0,1,0,0,0,0|1,0,2]=4 1122 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [0,1,0,0,0,0|1,0,2]=4 1123 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [0,1,0,0,0,0|1,0,2]=4 1124 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [0,1,0,0,0,0|1,0,2]=4 1125 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [0,1,0,0,0,0|1,0,2]=4 1126 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [0,1,0,0,0,0|1,0,2]=4 1127 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [0,1,0,0,0,0|1,0,2]=4 1128 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [0,1,0,0,0,0|1,0,2]=4 1129 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [0,1,0,0,0,0|1,0,2]=4 1130 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [0,1,0,0,0,0|1,0,2]=4 1131 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [0,1,0,0,0,0|0,0,2]=3 1132 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [0,1,0,0,0,0|0,0,2]=3 1133 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [0,1,0,0,0,0|1,0,2]=4 1134 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [0,1,0,0,0,0|1,0,2]=4 1135 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [0,1,0,0,0,0|1,0,2]=4 1136 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [0,1,0,0,0,0|1,0,2]=4 1137 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [0,1,0,0,0,0|1,0,2]=4 1138 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [0,1,0,0,0,0|0,0,2]=3 1139 B11R1.20 CC(=Cc1ccc(cn1)O)C 271570a_100102525489_100000685995 [0,1,0,0,0,0|1,0,2]=4 1140 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,1,0,0,0,0|1,0,1]=3 1141 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,1,0,0,0,0|1,0,1]=3 1142 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,1,0,0,0,0|1,0,1]=3 1143 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,1,0,0,0,0|1,0,1]=3 1144 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,1,0,0,0,0|1,0,1]=3 1145 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,1,0,0,0,0|1,0,1]=3 1146 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,1,0,0,0,0|1,0,1]=3 1147 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,1,0,0,0,0|1,0,1]=3 1148 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,1,0,0,0,0|1,0,1]=3 1149 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,1,0,0,0,0|1,0,1]=3 1150 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,1,0,0,0,0|0,0,1]=2 1151 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,1,0,0,0,0|0,0,1]=2 1152 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [0,1,0,0,0,0|2,0,1]=4 1153 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [0,1,0,0,0,0|2,0,1]=4 1154 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [0,1,0,0,0,0|2,0,1]=4 1155 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [0,1,0,0,0,0|2,0,1]=4 1156 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [0,1,0,0,0,0|2,0,1]=4 1157 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [0,1,0,0,0,0|2,0,1]=4 1158 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [0,1,0,0,0,0|2,0,1]=4 1159 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [0,1,0,0,0,0|2,0,1]=4 1160 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [0,1,0,0,0,0|2,0,1]=4 1161 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [0,1,0,0,0,0|2,0,1]=4 1162 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [0,1,0,0,0,0|2,0,1]=4 1163 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [0,1,0,0,0,0|2,0,1]=4 1164 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [0,1,0,0,0,0|2,0,1]=4 1165 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [0,1,0,0,0,0|2,0,1]=4 1166 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [0,1,0,0,0,0|1,0,2]=4 1167 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,1,0,0,0,0|2,0,1]=4 1168 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,1,0,0,0,0|2,0,1]=4 1169 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,1,0,0,0,0|2,0,1]=4 1170 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,1,0,0,0,0|2,0,1]=4 1171 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,1,0,0,0,0|2,0,1]=4 1172 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,1,0,0,0,0|2,0,1]=4 1173 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,1,0,0,0,0|2,0,1]=4 1174 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,1,0,0,0,0|2,0,1]=4 1175 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,1,0,0,0,0|2,0,1]=4 1176 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,1,0,0,0,0|2,0,1]=4 1177 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,1,0,0,0,0|2,0,1]=4 1178 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,1,0,0,0,0|2,0,1]=4 1179 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,1,0,0,0,0|2,0,1]=4 1180 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,1,0,0,0,0|2,0,1]=4 1181 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,1,0,0,0,0|2,0,1]=4 1182 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,1,0,0,0,0|2,0,1]=4 1183 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,1,0,0,0,0|2,0,1]=4 1184 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,1,0,0,0,0|2,0,1]=4 1185 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,1,0,0,0,0|2,0,1]=4 1186 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,1,0,0,0,0|2,0,1]=4 1187 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,1,0,0,0,0|1,0,1]=3 1188 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,1,0,0,0,0|1,0,1]=3 1189 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [0,1,0,0,0,0|2,0,1]=4 1190 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [0,1,0,0,0,0|2,0,1]=4 1191 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,1,0,0,0,0|1,0,1]=3 1192 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,1,0,0,0,0|1,0,1]=3 1193 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [0,1,0,0,0,0|1,0,1]=3 1194 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [0,1,0,0,0,0|0,0,2]=3 1195 B11R1.20 CC(C)Nc1ccc(cc1)O 271570a_203496583355_100000219625 [0,1,0,0,0,0|1,0,2]=4 1196 B11R1.20 CC(C)Nc1ccc(cc1)O 34a_100000185829_100000210206 [0,1,0,0,0,0|1,0,2]=4 1197 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [0,1,0,0,0,0|1,0,2]=4 1198 B11R1.20 CC(C)Sc1ccc(cc1)O 271570a_203496583355_100009811894 [0,1,0,0,0,0|1,0,2]=4 1199 B11R1.20 CC(C)Sc1ccc(cc1)O 62a_100000210206_100000185759 [0,1,0,0,0,0|1,0,2]=4 1200 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100000180866_200000210301 [0,1,0,0,0,0|2,0,1]=4 1201 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100102631434_100011217064 [0,1,0,0,0,0|2,0,1]=4 1202 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100000180866_200000210301 [0,1,0,0,0,0|2,0,1]=4 1203 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100102631434_100011217064 [0,1,0,0,0,0|2,0,1]=4 1204 B11R1.20 CN(C)Cc1ccc(cc1)Br 270004a_100102631434_100000186029 [0,1,0,0,0,0|2,0,1]=4 1205 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_200000210301 [0,1,0,0,0,0|2,0,1]=4 1206 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100102631434_100000694040 [0,1,0,0,0,0|2,0,1]=4 1207 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_200000210301 [0,1,0,0,0,0|2,0,1]=4 1208 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100102631434_100000187161 [0,1,0,0,0,0|2,0,1]=4 1209 B11R1.20 CN(C)Cc1ccc(cc1)Cl 270004a_100102631434_100000189385 [0,1,0,0,0,0|2,0,1]=4 1210 B11R1.20 CN(C)Cc1ccc(cc1)Cl 34a_100000184517_200000210301 [0,1,0,0,0,0|2,0,1]=4 1211 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100000184576_200000210301 [0,1,0,0,0,0|2,0,1]=4 1212 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100102631434_100000198546 [0,1,0,0,0,0|2,0,1]=4 1213 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100000184576_200000210301 [0,1,0,0,0,0|2,0,1]=4 1214 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100102631434_100000198546 [0,1,0,0,0,0|2,0,1]=4 1215 B11R1.20 CN(C)Cc1ccc(cc1)F 270004a_100102631434_100000210084 [0,1,0,0,0,0|2,0,1]=4 1216 B11R1.20 CN(C)Cc1ccc(cc1)F 34a_100000184576_200000210301 [0,1,0,0,0,0|2,0,1]=4 1217 B11R1.20 CN(C)Cc1ccc(cc1)I 2230a_100102631434_100000189116 [0,1,0,0,0,0|2,0,1]=4 1218 B11R1.20 CN(C)Cc1ccc(cc1)I 269982a_100102631434_100000189116 [0,1,0,0,0,0|2,0,1]=4 1219 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [0,1,0,0,0,0|1,0,1]=3 1220 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [0,1,0,0,0,0|1,0,1]=3 1221 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [0,1,0,0,0,0|1,0,1]=3 1222 B11R1.20 CN(C)Cc1ccc(nc1)O 271570a_203496583355_106446545466 [0,1,0,0,0,0|2,0,1]=4 1223 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 2230a_100000180866_200025704644 [0,1,0,0,0,0|2,0,1]=4 1224 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 269982a_100000180866_200025704644 [0,1,0,0,0,0|2,0,1]=4 1225 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 2230a_100000184517_200025704644 [0,1,0,0,0,0|2,0,1]=4 1226 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 269982a_100000184517_200025704644 [0,1,0,0,0,0|2,0,1]=4 1227 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 34a_100000184517_200025704644 [0,1,0,0,0,0|2,0,1]=4 1228 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 2230a_100000184576_200025704644 [0,1,0,0,0,0|2,0,1]=4 1229 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 269982a_100000184576_200025704644 [0,1,0,0,0,0|2,0,1]=4 1230 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 34a_100000184576_200025704644 [0,1,0,0,0,0|2,0,1]=4 1231 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [0,1,0,0,0,0|1,0,1]=3 1232 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [0,1,0,0,0,0|1,0,1]=3 1233 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,1,0,0,0,0|1,0,1]=3 1234 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100000744650_200000210301 [0,1,0,0,0,0|2,0,1]=4 1235 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000210814 [0,1,0,0,0,0|2,0,1]=4 1236 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100000744650_200000210301 [0,1,0,0,0,0|2,0,1]=4 1237 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000210814 [0,1,0,0,0,0|2,0,1]=4 1238 B11R1.20 Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000211033 [0,1,0,0,0,0|2,0,1]=4 1239 B11R1.20 Cc1ccc(cc1)CN(C)C 34a_100000744650_200000210301 [0,1,0,0,0,0|2,0,1]=4 1240 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 2230a_100000744650_200025704644 [0,1,0,0,0,0|2,0,1]=4 1241 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 269982a_100000744650_200025704644 [0,1,0,0,0,0|2,0,1]=4 1242 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 34a_100000744650_200025704644 [0,1,0,0,0,0|2,0,1]=4 1243 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [0,1,0,0,0,0|2,0,1]=4 1244 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [0,1,0,0,0,0|2,0,1]=4 1245 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,1,0,0,0,0|1,0,0]=2 1246 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [0,1,0,0,0,0|2,0,0]=3 1247 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [0,1,0,0,0,0|2,0,0]=3 1248 B11R1.20 NC(=O)Cc1ccc(nn1)O 271570a_203496583355_100015841783 [0,1,0,0,0,0|3,0,0]=4 1249 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,1,0,0,0,0|2,0,0]=3 1250 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [0,1,0,0,0,0|1,0,1]=3 1251 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [0,1,0,0,0,0|1,0,1]=3 1252 B11R1.20 Oc1ccc(cc1)OC(F)F 271570a_203496583355_100000179047 [0,1,0,0,0,0|2,0,1]=4 1253 B11R1.20 Oc1ccc(cc1)SC(F)F 271570a_203496583355_100000178776 [0,1,0,0,0,0|2,0,1]=4 1254 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,1,0,0,0,0|1,0,1]=3 1255 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,1,0,0,0,0|1,0,1]=3 1256 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,1,0,0,0,0|1,0,1]=3 1257 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,1,0,0,0,0|1,0,1]=3 1258 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,1,0,0,0,0|0,0,1]=2 1259 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [0,1,0,0,0,0|2,0,1]=4 1260 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [0,1,0,0,0,0|2,0,1]=4 1261 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [0,1,0,0,0,0|2,0,1]=4 1262 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [0,1,0,0,0,0|2,0,1]=4 1263 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [0,1,0,0,0,0|1,0,2]=4 1264 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [0,1,0,0,0,0|1,0,1]=3 1265 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [0,1,0,0,0,0|2,0,1]=4 1266 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [0,1,0,0,0,0|2,0,1]=4 1267 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [0,1,0,0,0,0|2,0,1]=4 1268 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [0,1,0,0,0,0|2,0,1]=4 1269 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [0,1,0,0,0,0|2,0,1]=4 1270 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_100000755118_200025704644 [0,1,0,0,0,0|2,0,1]=4 1271 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_200025704644_100000755118 [0,1,0,0,0,0|2,0,1]=4 1272 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_100000684792_200025704644 [0,1,0,0,0,0|2,0,1]=4 1273 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100000684792 [0,1,0,0,0,0|2,0,1]=4 1274 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_100000743420_200025704644 [0,1,0,0,0,0|2,0,1]=4 1275 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_200025704644_100000743420 [0,1,0,0,0,0|2,0,1]=4 1276 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [0,1,0,0,0,0|0,0,3]=4 1277 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [0,1,0,0,0,0|0,0,3]=4 1278 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [0,1,0,0,0,0|0,0,2]=3 1279 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [0,1,0,0,0,0|0,0,2]=3 1280 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [0,1,0,0,0,0|1,0,2]=4 1281 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [0,1,0,0,0,0|1,0,2]=4 1282 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [0,1,0,0,0,0|1,0,2]=4 1283 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [0,1,0,0,0,0|1,0,2]=4 1284 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [0,1,0,0,0,0|1,0,2]=4 1285 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [0,1,0,0,0,0|1,0,2]=4 1286 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [0,1,0,0,0,0|1,0,2]=4 1287 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [0,1,0,0,0,0|1,0,2]=4 1288 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [0,1,0,0,0,0|0,0,2]=3 1289 B11R1.22 CN(CF)c1ccc(cc1)O 269982a_100000182112_100015361967 [0,1,0,0,0,0|2,0,1]=4 1290 B11R1.22 CN(CF)c1ccc(cc1)O 34a_100000182112_100015361967 [0,1,0,0,0,0|2,0,1]=4 1291 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [0,1,0,0,0,0|1,0,2]=4 1292 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [0,1,0,0,0,0|1,0,2]=4 1293 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [0,1,0,0,0,0|1,0,2]=4 1294 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [0,1,0,0,0,0|2,0,1]=4 1295 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [0,1,0,0,0,0|2,0,1]=4 1296 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [0,1,0,0,0,0|2,0,1]=4 1297 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [0,1,0,0,0,0|2,0,1]=4 1298 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [0,1,0,0,0,0|2,0,1]=4 1299 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [0,1,0,0,0,0|2,0,1]=4 1300 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [0,1,0,0,0,0|2,0,1]=4 1301 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [0,1,0,0,0,0|2,0,1]=4 1302 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [0,1,0,0,0,0|2,0,1]=4 1303 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [0,1,0,0,0,0|2,0,1]=4 1304 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [0,1,0,0,0,0|2,0,1]=4 1305 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [0,1,0,0,0,0|2,0,1]=4 1306 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [0,1,0,0,0,0|2,0,1]=4 1307 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [0,1,0,0,0,0|2,0,1]=4 1308 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [0,1,0,0,0,0|2,0,1]=4 1309 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [0,1,0,0,0,0|1,0,1]=3 1310 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [0,1,0,0,0,0|2,0,1]=4 1311 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [0,1,0,0,0,0|2,0,1]=4 1312 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [0,1,0,0,0,0|2,0,1]=4 1313 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [0,1,0,0,0,0|1,0,1]=3 1314 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [0,1,0,0,0,0|2,0,1]=4 1315 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [0,1,0,0,0,0|2,0,1]=4 1316 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [0,1,0,0,0,0|2,0,1]=4 1317 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [0,1,0,0,0,0|2,0,1]=4 1318 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [0,1,0,0,0,0|2,0,1]=4 1319 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,1,0,0,0,0|1,0,2]=4 1320 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [0,1,0,0,0,0|2,0,1]=4 1321 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [0,1,0,0,0,0|2,0,1]=4 1322 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [0,1,0,0,0,0|2,0,1]=4 1323 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [0,1,0,0,0,0|2,0,1]=4 1324 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [0,1,0,0,0,0|2,0,1]=4 1325 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [0,1,0,0,0,0|2,0,1]=4 1326 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [0,1,0,0,0,0|2,0,1]=4 1327 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [0,1,0,0,0,0|2,0,1]=4 1328 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [0,1,0,0,0,0|1,0,1]=3 1329 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [0,1,0,0,0,0|2,0,1]=4 1330 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [0,1,0,0,0,0|2,0,1]=4 1331 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [0,1,0,0,0,0|2,0,1]=4 1332 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [0,1,0,0,0,0|2,0,1]=4 1333 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_100000755118_200000210301 [0,1,0,0,0,0|2,0,1]=4 1334 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_200000210301_100000755118 [0,1,0,0,0,0|2,0,1]=4 1335 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [0,1,0,0,0,0|2,0,1]=4 1336 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [0,1,0,0,0,0|2,0,1]=4 1337 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_100000684792_200000210301 [0,1,0,0,0,0|2,0,1]=4 1338 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_200000210301_100000684792 [0,1,0,0,0,0|2,0,1]=4 1339 B11R1.22 CSC(C)c1ccc(cc1)F 62a_100000743420_200000210301 [0,1,0,0,0,0|2,0,1]=4 1340 B11R1.22 CSC(C)c1ccc(cc1)F 62a_200000210301_100000743420 [0,1,0,0,0,0|2,0,1]=4 1341 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [0,1,0,0,0,0|2,0,1]=4 1342 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [0,1,0,0,0,0|2,0,1]=4 1343 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [0,1,0,0,0,0|2,0,1]=4 1344 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [0,1,0,0,0,0|2,0,1]=4 1345 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [0,1,0,0,0,0|2,0,1]=4 1346 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [0,1,0,0,0,0|2,0,1]=4 1347 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [0,1,0,0,0,0|1,0,1]=3 1348 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [0,1,0,0,0,0|2,0,1]=4 1349 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [0,1,0,0,0,0|2,0,1]=4 1350 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [0,1,0,0,0,0|2,0,1]=4 1351 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [0,1,0,0,0,0|2,0,1]=4 1352 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [0,1,0,0,0,0|2,0,1]=4 1353 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [0,1,0,0,0,0|2,0,1]=4 1354 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [0,1,0,0,0,0|2,0,1]=4 1355 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [0,1,0,0,0,0|2,0,1]=4 1356 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [0,1,0,0,0,0|1,0,2]=4 1357 B11R1.22 N#CC(N)c1ccc(cc1)O 271570a_203496583355_106722365845 [0,1,0,0,0,0|1,0,1]=3 1358 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [0,1,0,0,0,0|1,0,1]=3 1359 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [0,1,0,0,0,0|1,0,2]=4 1360 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [0,1,0,0,0,0|1,0,1]=3 1361 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [0,1,0,0,0,0|2,0,1]=4 1362 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [0,1,0,0,0,0|1,0,2]=4 1363 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,1,0,0,0,0|1,0,2]=4 1364 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,1,0,0,0,0|1,0,1]=3 1365 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [0,1,0,0,0,0|1,0,1]=3 1366 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [0,1,0,0,0,0|2,0,1]=4 1367 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [0,1,0,0,0,0|2,0,1]=4 1368 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [0,1,0,0,0,0|2,0,1]=4 1369 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [0,1,0,0,0,0|2,0,1]=4 1370 B11R1.81 C=C=Cc1ccc(cc1Br)Br 271570a_100015277604_100011484698 [0,1,0,0,0,0|1,0,2]=4 1371 B11R1.81 C=C=Cc1ccc(cc1Br)C 271570a_100015277604_100009813563 [0,1,0,0,0,0|1,0,2]=4 1372 B11R1.81 C=C=Cc1ccc(cc1Br)Cl 271570a_100015277604_100011219703 [0,1,0,0,0,0|1,0,2]=4 1373 B11R1.81 C=C=Cc1ccc(cc1Br)F 271570a_100015277604_100011217111 [0,1,0,0,0,0|1,0,2]=4 1374 B11R1.81 C=C=Cc1ccc(cc1Br)N 271570a_100015277604_100000750458 [0,1,0,0,0,0|1,0,2]=4 1375 B11R1.81 C=C=Cc1ccc(cc1Br)O 271570a_100015277604_100000701344 [0,1,0,0,0,0|0,0,2]=3 1376 B11R1.81 C=C=Cc1ccc(cc1C)Br 271570a_100015277604_100000701812 [0,1,0,0,0,0|1,0,2]=4 1377 B11R1.81 C=C=Cc1ccc(cc1C)C 271570a_100015277604_100011217332 [0,1,0,0,0,0|1,0,2]=4 1378 B11R1.81 C=C=Cc1ccc(cc1C)Cl 271570a_100015277604_100011219607 [0,1,0,0,0,0|1,0,2]=4 1379 B11R1.81 C=C=Cc1ccc(cc1C)F 271570a_100015277604_100011205405 [0,1,0,0,0,0|1,0,2]=4 1380 B11R1.81 C=C=Cc1ccc(cc1C)N 271570a_100015277604_100000210723 [0,1,0,0,0,0|1,0,2]=4 1381 B11R1.81 C=C=Cc1ccc(cc1C)O 271570a_100015277604_100000729255 [0,1,0,0,0,0|0,0,2]=3 1382 B11R1.81 C=C=Cc1ccc(cc1Cl)Br 271570a_100015277604_100011216062 [0,1,0,0,0,0|1,0,2]=4 1383 B11R1.81 C=C=Cc1ccc(cc1Cl)C 271570a_100015277604_100011263221 [0,1,0,0,0,0|1,0,2]=4 1384 B11R1.81 C=C=Cc1ccc(cc1Cl)Cl 271570a_100015277604_100000699841 [0,1,0,0,0,0|1,0,2]=4 1385 B11R1.81 C=C=Cc1ccc(cc1Cl)F 271570a_100015277604_100000733362 [0,1,0,0,0,0|1,0,2]=4 1386 B11R1.81 C=C=Cc1ccc(cc1Cl)N 271570a_100015277604_100000761885 [0,1,0,0,0,0|1,0,2]=4 1387 B11R1.81 C=C=Cc1ccc(cc1Cl)O 271570a_100015277604_100000047559 [0,1,0,0,0,0|0,0,2]=3 1388 B11R1.81 C=C=Cc1ccc(cc1F)Br 271570a_100015277604_100009814013 [0,1,0,0,0,0|1,0,2]=4 1389 B11R1.81 C=C=Cc1ccc(cc1F)C 271570a_100015277604_100011216119 [0,1,0,0,0,0|1,0,2]=4 1390 B11R1.81 C=C=Cc1ccc(cc1F)Cl 271570a_100015277604_100011216042 [0,1,0,0,0,0|1,0,2]=4 1391 B11R1.81 C=C=Cc1ccc(cc1F)F 271570a_100015277604_100000750030 [0,1,0,0,0,0|1,0,2]=4 1392 B11R1.81 C=C=Cc1ccc(cc1F)N 271570a_100015277604_100011356925 [0,1,0,0,0,0|1,0,2]=4 1393 B11R1.81 C=C=Cc1ccc(cc1F)O 271570a_100015277604_100000755031 [0,1,0,0,0,0|0,0,2]=3 1394 B11R1.81 C=C=Cc1ccc(cc1N)Br 271570a_100015277604_100000743836 [0,1,0,0,0,0|1,0,2]=4 1395 B11R1.81 C=C=Cc1ccc(cc1N)C 271570a_100015277604_100011216686 [0,1,0,0,0,0|1,0,2]=4 1396 B11R1.81 C=C=Cc1ccc(cc1N)Cl 271570a_100015277604_100000761886 [0,1,0,0,0,0|1,0,2]=4 1397 B11R1.81 C=C=Cc1ccc(cc1N)F 271570a_100015277604_100011218093 [0,1,0,0,0,0|1,0,2]=4 1398 B11R1.81 C=C=Cc1ccc(cc1N)N 271570a_100015277604_200012175722 [0,1,0,0,0,0|1,0,2]=4 1399 B11R1.81 C=C=Cc1ccc(cc1N)O 271570a_100015277604_100011999798 [0,1,0,0,0,0|0,0,2]=3 1400 B11R1.81 C=C=Cc1ccc(cc1O)Br 271570a_100015277604_100012344904 [0,1,0,0,0,0|1,0,2]=4 1401 B11R1.81 C=C=Cc1ccc(cc1O)C 271570a_100015277604_100012002257 [0,1,0,0,0,0|1,0,2]=4 1402 B11R1.81 C=C=Cc1ccc(cc1O)Cl 271570a_100015277604_100000050036 [0,1,0,0,0,0|1,0,2]=4 1403 B11R1.81 C=C=Cc1ccc(cc1O)F 271570a_100015277604_100000690578 [0,1,0,0,0,0|1,0,2]=4 1404 B11R1.81 C=C=Cc1ccc(cc1O)O 271570a_100015277604_100009813921 [0,1,0,0,0,0|0,0,2]=3 1405 B11R1.81 C=C=Cc1ccc(nc1C)O 271570a_100015277604_100000691680 [0,1,0,0,0,0|1,0,2]=4 1406 B11R1.81 C=C=Cc1ccc(nc1F)O 271570a_100015277604_100009879308 [0,1,0,0,0,0|1,0,2]=4 1407 B11R1.81 C=C=Cc1cnc(cc1C)O 271570a_100015277604_100010114363 [0,1,0,0,0,0|1,0,2]=4 1408 B11R1.81 C=C=Cc1ncc(cc1C)O 271570a_100015277604_100012000486 [0,1,0,0,0,0|1,0,2]=4 1409 B11R1.81 C=C=Cc1ncc(cc1F)O 271570a_100015277604_100000063512 [0,1,0,0,0,0|1,0,2]=4 1410 B11R1.81 CC=Cc1ccc(cc1Br)Br 271570a_100016259895_100011484698 [0,1,0,0,0,0|1,0,2]=4 1411 B11R1.81 CC=Cc1ccc(cc1Br)C 271570a_100016259895_100009813563 [0,1,0,0,0,0|1,0,2]=4 1412 B11R1.81 CC=Cc1ccc(cc1Br)Cl 271570a_100016259895_100011219703 [0,1,0,0,0,0|1,0,2]=4 1413 B11R1.81 CC=Cc1ccc(cc1Br)F 271570a_100016259895_100011217111 [0,1,0,0,0,0|1,0,2]=4 1414 B11R1.81 CC=Cc1ccc(cc1Br)N 271570a_100016259895_100000750458 [0,1,0,0,0,0|1,0,2]=4 1415 B11R1.81 CC=Cc1ccc(cc1Br)O 271570a_100016259895_100000701344 [0,1,0,0,0,0|0,0,2]=3 1416 B11R1.81 CC=Cc1ccc(cc1C)Br 271570a_100016259895_100000701812 [0,1,0,0,0,0|1,0,2]=4 1417 B11R1.81 CC=Cc1ccc(cc1C)C 271570a_100016259895_100011217332 [0,1,0,0,0,0|1,0,2]=4 1418 B11R1.81 CC=Cc1ccc(cc1C)Cl 271570a_100016259895_100011219607 [0,1,0,0,0,0|1,0,2]=4 1419 B11R1.81 CC=Cc1ccc(cc1C)F 271570a_100016259895_100011205405 [0,1,0,0,0,0|1,0,2]=4 1420 B11R1.81 CC=Cc1ccc(cc1C)N 271570a_100016259895_100000210723 [0,1,0,0,0,0|1,0,2]=4 1421 B11R1.81 CC=Cc1ccc(cc1C)O 271570a_100016259895_100000729255 [0,1,0,0,0,0|0,0,2]=3 1422 B11R1.81 CC=Cc1ccc(cc1Cl)Br 271570a_100016259895_100011216062 [0,1,0,0,0,0|1,0,2]=4 1423 B11R1.81 CC=Cc1ccc(cc1Cl)C 271570a_100016259895_100011263221 [0,1,0,0,0,0|1,0,2]=4 1424 B11R1.81 CC=Cc1ccc(cc1Cl)Cl 271570a_100016259895_100000699841 [0,1,0,0,0,0|1,0,2]=4 1425 B11R1.81 CC=Cc1ccc(cc1Cl)F 271570a_100016259895_100000733362 [0,1,0,0,0,0|1,0,2]=4 1426 B11R1.81 CC=Cc1ccc(cc1Cl)N 271570a_100016259895_100000761885 [0,1,0,0,0,0|1,0,2]=4 1427 B11R1.81 CC=Cc1ccc(cc1Cl)O 271570a_100016259895_100000047559 [0,1,0,0,0,0|0,0,2]=3 1428 B11R1.81 CC=Cc1ccc(cc1F)Br 271570a_100016259895_100009814013 [0,1,0,0,0,0|1,0,2]=4 1429 B11R1.81 CC=Cc1ccc(cc1F)C 271570a_100016259895_100011216119 [0,1,0,0,0,0|1,0,2]=4 1430 B11R1.81 CC=Cc1ccc(cc1F)Cl 271570a_100016259895_100011216042 [0,1,0,0,0,0|1,0,2]=4 1431 B11R1.81 CC=Cc1ccc(cc1F)F 271570a_100016259895_100000750030 [0,1,0,0,0,0|1,0,2]=4 1432 B11R1.81 CC=Cc1ccc(cc1F)N 271570a_100016259895_100011356925 [0,1,0,0,0,0|1,0,2]=4 1433 B11R1.81 CC=Cc1ccc(cc1F)O 271570a_100016259895_100000755031 [0,1,0,0,0,0|0,0,2]=3 1434 B11R1.81 CC=Cc1ccc(cc1N)Br 271570a_100016259895_100000743836 [0,1,0,0,0,0|1,0,2]=4 1435 B11R1.81 CC=Cc1ccc(cc1N)C 271570a_100016259895_100011216686 [0,1,0,0,0,0|1,0,2]=4 1436 B11R1.81 CC=Cc1ccc(cc1N)Cl 271570a_100016259895_100000761886 [0,1,0,0,0,0|1,0,2]=4 1437 B11R1.81 CC=Cc1ccc(cc1N)F 271570a_100016259895_100011218093 [0,1,0,0,0,0|1,0,2]=4 1438 B11R1.81 CC=Cc1ccc(cc1N)N 271570a_100016259895_200012175722 [0,1,0,0,0,0|1,0,2]=4 1439 B11R1.81 CC=Cc1ccc(cc1N)O 271570a_100016259895_100011999798 [0,1,0,0,0,0|0,0,2]=3 1440 B11R1.81 CC=Cc1ccc(cc1O)Br 271570a_100016259895_100012344904 [0,1,0,0,0,0|1,0,2]=4 1441 B11R1.81 CC=Cc1ccc(cc1O)C 271570a_100016259895_100012002257 [0,1,0,0,0,0|1,0,2]=4 1442 B11R1.81 CC=Cc1ccc(cc1O)Cl 271570a_100016259895_100000050036 [0,1,0,0,0,0|1,0,2]=4 1443 B11R1.81 CC=Cc1ccc(cc1O)F 271570a_100016259895_100000690578 [0,1,0,0,0,0|1,0,2]=4 1444 B11R1.81 CC=Cc1ccc(cc1O)O 271570a_100016259895_100009813921 [0,1,0,0,0,0|0,0,2]=3 1445 B11R1.81 CC=Cc1ccc(nc1C)O 271570a_100016259895_100000691680 [0,1,0,0,0,0|1,0,2]=4 1446 B11R1.81 CC=Cc1ccc(nc1F)O 271570a_100016259895_100009879308 [0,1,0,0,0,0|1,0,2]=4 1447 B11R1.81 CC=Cc1cnc(cc1C)O 271570a_100016259895_100010114363 [0,1,0,0,0,0|1,0,2]=4 1448 B11R1.81 CC=Cc1ncc(cc1C)O 271570a_100016259895_100012000486 [0,1,0,0,0,0|1,0,2]=4 1449 B11R1.81 CC=Cc1ncc(cc1F)O 271570a_100016259895_100000063512 [0,1,0,0,0,0|1,0,2]=4 1450 B11R1.81 CCNc1ccc(cc1Br)O 34a_100012001276_100000210202 [0,1,0,0,0,0|1,0,2]=4 1451 B11R1.81 CCNc1ccc(cc1C)O 34a_100000756630_100000210202 [0,1,0,0,0,0|1,0,2]=4 1452 B11R1.81 CCNc1ccc(cc1Cl)O 34a_100011215599_100000210202 [0,1,0,0,0,0|1,0,2]=4 1453 B11R1.81 CCNc1ccc(cc1F)O 34a_100000759473_100000210202 [0,1,0,0,0,0|1,0,2]=4 1454 B11R1.81 CCNc1ccc(cc1I)O 34a_100010084370_100000210202 [0,1,0,0,0,0|1,0,2]=4 1455 B11R1.81 CCNc1ccc(cc1O)O 34a_100000106777_100000210202 [0,1,0,0,0,0|1,0,2]=4 1456 B11R1.81 CCOc1ccc(cc1C)O 271570a_203496583355_100011308936 [0,1,0,0,0,0|1,0,2]=4 1457 B11R1.81 CCOc1ccc(cc1F)O 271570a_203496583355_200000171753 [0,1,0,0,0,0|1,0,2]=4 1458 B11R1.81 CCOc1ccc(cc1N)O 271570a_203496583355_100000751366 [0,1,0,0,0,0|1,0,2]=4 1459 B11R1.81 CCSc1ccc(cc1Br)O 62a_100000210202_100000701344 [0,1,0,0,0,0|1,0,2]=4 1460 B11R1.81 CCSc1ccc(cc1Br)O 62a_100000701344_100000210202 [0,1,0,0,0,0|1,0,2]=4 1461 B11R1.81 CCSc1ccc(cc1C)O 62a_100000210202_100000690111 [0,1,0,0,0,0|1,0,2]=4 1462 B11R1.81 CCSc1ccc(cc1Cl)O 62a_100000047559_100000210202 [0,1,0,0,0,0|1,0,2]=4 1463 B11R1.81 CCSc1ccc(cc1Cl)O 62a_100000210202_100000047559 [0,1,0,0,0,0|1,0,2]=4 1464 B11R1.81 CCSc1ccc(cc1F)O 62a_100000210202_100000755031 [0,1,0,0,0,0|1,0,2]=4 1465 B11R1.81 CCSc1ccc(cc1F)O 62a_100000755031_100000210202 [0,1,0,0,0,0|1,0,2]=4 1466 B11R1.81 CCSc1ccc(cc1N)O 62a_100000210202_100011999798 [0,1,0,0,0,0|1,0,2]=4 1467 B11R1.81 CCSc1ccc(cc1N)O 62a_100011999798_100000210202 [0,1,0,0,0,0|1,0,2]=4 1468 B11R1.81 CCSc1ccc(cc1O)O 62a_100000210202_100009813921 [0,1,0,0,0,0|1,0,2]=4 1469 B11R1.81 CNCc1ccc(cc1Br)Br 207a_100102657272_100012351556 [0,1,0,0,0,0|2,0,1]=4 1470 B11R1.81 CNCc1ccc(cc1Br)Br 2230a_106832991635_200012351560 [0,1,0,0,0,0|2,0,1]=4 1471 B11R1.81 CNCc1ccc(cc1Br)Br 26a_100102657272_100000188717 [0,1,0,0,0,0|2,0,1]=4 1472 B11R1.81 CNCc1ccc(cc1Br)Br 270004a_106832991635_100012351556 [0,1,0,0,0,0|2,0,1]=4 1473 B11R1.81 CNCc1ccc(cc1Br)Br 34a_100102657272_200012351560 [0,1,0,0,0,0|2,0,1]=4 1474 B11R1.81 CNCc1ccc(cc1Br)Br 7a_106832991635_200012351560 [0,1,0,0,0,0|2,0,1]=4 1475 B11R1.81 CNCc1ccc(cc1Br)C 207a_100102657272_100000692596 [0,1,0,0,0,0|2,0,1]=4 1476 B11R1.81 CNCc1ccc(cc1Br)C 26a_100102657272_100000210800 [0,1,0,0,0,0|2,0,1]=4 1477 B11R1.81 CNCc1ccc(cc1Br)C 270004a_106832991635_100000692596 [0,1,0,0,0,0|2,0,1]=4 1478 B11R1.81 CNCc1ccc(cc1Br)Cl 207a_100102657272_100000687667 [0,1,0,0,0,0|2,0,1]=4 1479 B11R1.81 CNCc1ccc(cc1Br)Cl 2230a_106832991635_100000755608 [0,1,0,0,0,0|2,0,1]=4 1480 B11R1.81 CNCc1ccc(cc1Br)Cl 26a_100102657272_100000211998 [0,1,0,0,0,0|2,0,1]=4 1481 B11R1.81 CNCc1ccc(cc1Br)Cl 270004a_106832991635_100000687667 [0,1,0,0,0,0|2,0,1]=4 1482 B11R1.81 CNCc1ccc(cc1Br)Cl 34a_100102657272_100000755608 [0,1,0,0,0,0|2,0,1]=4 1483 B11R1.81 CNCc1ccc(cc1Br)Cl 34a_100102692131_200000210301 [0,1,0,0,0,0|2,0,1]=4 1484 B11R1.81 CNCc1ccc(cc1Br)Cl 7a_106832991635_100000755608 [0,1,0,0,0,0|2,0,1]=4 1485 B11R1.81 CNCc1ccc(cc1Br)F 207a_100102657272_100000685661 [0,1,0,0,0,0|2,0,1]=4 1486 B11R1.81 CNCc1ccc(cc1Br)F 2230a_106832991635_100000243222 [0,1,0,0,0,0|2,0,1]=4 1487 B11R1.81 CNCc1ccc(cc1Br)F 26a_100102657272_100000211999 [0,1,0,0,0,0|2,0,1]=4 1488 B11R1.81 CNCc1ccc(cc1Br)F 270004a_106832991635_100000685661 [0,1,0,0,0,0|2,0,1]=4 1489 B11R1.81 CNCc1ccc(cc1Br)F 34a_100000708791_200000210301 [0,1,0,0,0,0|2,0,1]=4 1490 B11R1.81 CNCc1ccc(cc1Br)F 34a_100102657272_100000243222 [0,1,0,0,0,0|2,0,1]=4 1491 B11R1.81 CNCc1ccc(cc1Br)F 7a_106832991635_100000243222 [0,1,0,0,0,0|2,0,1]=4 1492 B11R1.81 CNCc1ccc(cc1Br)I 207a_100102657272_100010185650 [0,1,0,0,0,0|2,0,1]=4 1493 B11R1.81 CNCc1ccc(cc1Br)I 2230a_106832991635_100010146610 [0,1,0,0,0,0|2,0,1]=4 1494 B11R1.81 CNCc1ccc(cc1Br)I 26a_100102657272_100012361655 [0,1,0,0,0,0|2,0,1]=4 1495 B11R1.81 CNCc1ccc(cc1Br)I 34a_100102657272_100010146610 [0,1,0,0,0,0|2,0,1]=4 1496 B11R1.81 CNCc1ccc(cc1Br)I 7a_106832991635_100010146610 [0,1,0,0,0,0|2,0,1]=4 1497 B11R1.81 CNCc1ccc(cc1C)Br 207a_100102657272_100000687586 [0,1,0,0,0,0|2,0,1]=4 1498 B11R1.81 CNCc1ccc(cc1C)Br 2230a_106832991635_100000708836 [0,1,0,0,0,0|2,0,1]=4 1499 B11R1.81 CNCc1ccc(cc1C)Br 26a_100102657272_100000186361 [0,1,0,0,0,0|2,0,1]=4 1500 B11R1.81 CNCc1ccc(cc1C)Br 270004a_106832991635_100000687586 [0,1,0,0,0,0|2,0,1]=4 1501 B11R1.81 CNCc1ccc(cc1C)Br 34a_100000753881_200000210301 [0,1,0,0,0,0|2,0,1]=4 1502 B11R1.81 CNCc1ccc(cc1C)Br 34a_100102657272_100000708836 [0,1,0,0,0,0|2,0,1]=4 1503 B11R1.81 CNCc1ccc(cc1C)Br 7a_106832991635_100000708836 [0,1,0,0,0,0|2,0,1]=4 1504 B11R1.81 CNCc1ccc(cc1C)C 207a_100102657272_100000211342 [0,1,0,0,0,0|2,0,1]=4 1505 B11R1.81 CNCc1ccc(cc1C)C 2230a_106832991635_100011219618 [0,1,0,0,0,0|2,0,1]=4 1506 B11R1.81 CNCc1ccc(cc1C)C 270004a_106832991635_100000211342 [0,1,0,0,0,0|2,0,1]=4 1507 B11R1.81 CNCc1ccc(cc1C)C 34a_100000737523_200000210301 [0,1,0,0,0,0|2,0,1]=4 1508 B11R1.81 CNCc1ccc(cc1C)C 34a_100102657272_100011219618 [0,1,0,0,0,0|2,0,1]=4 1509 B11R1.81 CNCc1ccc(cc1C)C 7a_106832991635_100011219618 [0,1,0,0,0,0|2,0,1]=4 1510 B11R1.81 CNCc1ccc(cc1C)Cl 207a_100102657272_100000766358 [0,1,0,0,0,0|2,0,1]=4 1511 B11R1.81 CNCc1ccc(cc1C)Cl 2230a_106832991635_100012361307 [0,1,0,0,0,0|2,0,1]=4 1512 B11R1.81 CNCc1ccc(cc1C)Cl 270004a_106832991635_100000766358 [0,1,0,0,0,0|2,0,1]=4 1513 B11R1.81 CNCc1ccc(cc1C)Cl 34a_100102657272_100012361307 [0,1,0,0,0,0|2,0,1]=4 1514 B11R1.81 CNCc1ccc(cc1C)Cl 34a_103436540063_200000210301 [0,1,0,0,0,0|2,0,1]=4 1515 B11R1.81 CNCc1ccc(cc1C)Cl 7a_106832991635_100012361307 [0,1,0,0,0,0|2,0,1]=4 1516 B11R1.81 CNCc1ccc(cc1C)F 207a_100102657272_100000745986 [0,1,0,0,0,0|2,0,1]=4 1517 B11R1.81 CNCc1ccc(cc1C)F 2230a_106832991635_100000700533 [0,1,0,0,0,0|2,0,1]=4 1518 B11R1.81 CNCc1ccc(cc1C)F 270004a_106832991635_100000745986 [0,1,0,0,0,0|2,0,1]=4 1519 B11R1.81 CNCc1ccc(cc1C)F 34a_100102657272_100000700533 [0,1,0,0,0,0|2,0,1]=4 1520 B11R1.81 CNCc1ccc(cc1C)F 34a_100137329023_200000210301 [0,1,0,0,0,0|2,0,1]=4 1521 B11R1.81 CNCc1ccc(cc1C)F 7a_106832991635_100000700533 [0,1,0,0,0,0|2,0,1]=4 1522 B11R1.81 CNCc1ccc(cc1Cl)Br 207a_100102657272_100000764164 [0,1,0,0,0,0|2,0,1]=4 1523 B11R1.81 CNCc1ccc(cc1Cl)Br 2230a_106832991635_100011740631 [0,1,0,0,0,0|2,0,1]=4 1524 B11R1.81 CNCc1ccc(cc1Cl)Br 26a_100102657272_100000186472 [0,1,0,0,0,0|2,0,1]=4 1525 B11R1.81 CNCc1ccc(cc1Cl)Br 270004a_106832991635_100000764164 [0,1,0,0,0,0|2,0,1]=4 1526 B11R1.81 CNCc1ccc(cc1Cl)Br 34a_100020628970_200000210301 [0,1,0,0,0,0|2,0,1]=4 1527 B11R1.81 CNCc1ccc(cc1Cl)Br 34a_100102657272_100011740631 [0,1,0,0,0,0|2,0,1]=4 1528 B11R1.81 CNCc1ccc(cc1Cl)Br 7a_106832991635_100011740631 [0,1,0,0,0,0|2,0,1]=4 1529 B11R1.81 CNCc1ccc(cc1Cl)C 207a_100102657272_100011935181 [0,1,0,0,0,0|2,0,1]=4 1530 B11R1.81 CNCc1ccc(cc1Cl)C 2230a_106832991635_100012349684 [0,1,0,0,0,0|2,0,1]=4 1531 B11R1.81 CNCc1ccc(cc1Cl)C 26a_100102657272_100000749699 [0,1,0,0,0,0|2,0,1]=4 1532 B11R1.81 CNCc1ccc(cc1Cl)C 270004a_106832991635_100011935181 [0,1,0,0,0,0|2,0,1]=4 1533 B11R1.81 CNCc1ccc(cc1Cl)C 34a_100011997539_200000210301 [0,1,0,0,0,0|2,0,1]=4 1534 B11R1.81 CNCc1ccc(cc1Cl)C 34a_100102657272_100012349684 [0,1,0,0,0,0|2,0,1]=4 1535 B11R1.81 CNCc1ccc(cc1Cl)C 7a_106832991635_100012349684 [0,1,0,0,0,0|2,0,1]=4 1536 B11R1.81 CNCc1ccc(cc1Cl)Cl 207a_100102657272_100000188887 [0,1,0,0,0,0|2,0,1]=4 1537 B11R1.81 CNCc1ccc(cc1Cl)Cl 2230a_106832991635_100000188473 [0,1,0,0,0,0|2,0,1]=4 1538 B11R1.81 CNCc1ccc(cc1Cl)Cl 26a_100102657272_100015191787 [0,1,0,0,0,0|2,0,1]=4 1539 B11R1.81 CNCc1ccc(cc1Cl)Cl 270004a_106832991635_100000188887 [0,1,0,0,0,0|2,0,1]=4 1540 B11R1.81 CNCc1ccc(cc1Cl)Cl 34a_100000174880_200000210301 [0,1,0,0,0,0|2,0,1]=4 1541 B11R1.81 CNCc1ccc(cc1Cl)Cl 34a_100102657272_100000188473 [0,1,0,0,0,0|2,0,1]=4 1542 B11R1.81 CNCc1ccc(cc1Cl)Cl 7a_106832991635_100000188473 [0,1,0,0,0,0|2,0,1]=4 1543 B11R1.81 CNCc1ccc(cc1Cl)F 207a_100102657272_100000752949 [0,1,0,0,0,0|2,0,1]=4 1544 B11R1.81 CNCc1ccc(cc1Cl)F 2230a_106832991635_100011216360 [0,1,0,0,0,0|2,0,1]=4 1545 B11R1.81 CNCc1ccc(cc1Cl)F 26a_100102657272_100000212004 [0,1,0,0,0,0|2,0,1]=4 1546 B11R1.81 CNCc1ccc(cc1Cl)F 270004a_106832991635_100000752949 [0,1,0,0,0,0|2,0,1]=4 1547 B11R1.81 CNCc1ccc(cc1Cl)F 34a_100000174946_200000210301 [0,1,0,0,0,0|2,0,1]=4 1548 B11R1.81 CNCc1ccc(cc1Cl)F 34a_100102657272_100011216360 [0,1,0,0,0,0|2,0,1]=4 1549 B11R1.81 CNCc1ccc(cc1Cl)F 7a_106832991635_100011216360 [0,1,0,0,0,0|2,0,1]=4 1550 B11R1.81 CNCc1ccc(cc1Cl)I 207a_100102657272_100000727542 [0,1,0,0,0,0|2,0,1]=4 1551 B11R1.81 CNCc1ccc(cc1Cl)O 34a_200161156549_200000210301 [0,1,0,0,0,0|1,0,1]=3 1552 B11R1.81 CNCc1ccc(cc1F)Br 207a_100102657272_100000211676 [0,1,0,0,0,0|2,0,1]=4 1553 B11R1.81 CNCc1ccc(cc1F)Br 2230a_106832991635_100000211606 [0,1,0,0,0,0|2,0,1]=4 1554 B11R1.81 CNCc1ccc(cc1F)Br 26a_100102657272_100000185481 [0,1,0,0,0,0|2,0,1]=4 1555 B11R1.81 CNCc1ccc(cc1F)Br 270004a_106832991635_100000211676 [0,1,0,0,0,0|2,0,1]=4 1556 B11R1.81 CNCc1ccc(cc1F)Br 34a_100000754580_200000210301 [0,1,0,0,0,0|2,0,1]=4 1557 B11R1.81 CNCc1ccc(cc1F)Br 34a_100102657272_100000211606 [0,1,0,0,0,0|2,0,1]=4 1558 B11R1.81 CNCc1ccc(cc1F)Br 7a_106832991635_100000211606 [0,1,0,0,0,0|2,0,1]=4 1559 B11R1.81 CNCc1ccc(cc1F)C 207a_100102657272_100011217368 [0,1,0,0,0,0|2,0,1]=4 1560 B11R1.81 CNCc1ccc(cc1F)C 2230a_106832991635_100011217900 [0,1,0,0,0,0|2,0,1]=4 1561 B11R1.81 CNCc1ccc(cc1F)C 270004a_106832991635_100011217368 [0,1,0,0,0,0|2,0,1]=4 1562 B11R1.81 CNCc1ccc(cc1F)C 34a_100102657272_100012002367 [0,1,0,0,0,0|2,0,1]=4 1563 B11R1.81 CNCc1ccc(cc1F)C 34a_100102887089_200000210301 [0,1,0,0,0,0|2,0,1]=4 1564 B11R1.81 CNCc1ccc(cc1F)C 7a_106832991635_100012002367 [0,1,0,0,0,0|2,0,1]=4 1565 B11R1.81 CNCc1ccc(cc1F)Cl 207a_100102657272_100000697372 [0,1,0,0,0,0|2,0,1]=4 1566 B11R1.81 CNCc1ccc(cc1F)Cl 2230a_106832991635_100000709361 [0,1,0,0,0,0|2,0,1]=4 1567 B11R1.81 CNCc1ccc(cc1F)Cl 270004a_106832991635_100000697372 [0,1,0,0,0,0|2,0,1]=4 1568 B11R1.81 CNCc1ccc(cc1F)Cl 34a_100000708496_200000210301 [0,1,0,0,0,0|2,0,1]=4 1569 B11R1.81 CNCc1ccc(cc1F)Cl 34a_100102657272_100000709361 [0,1,0,0,0,0|2,0,1]=4 1570 B11R1.81 CNCc1ccc(cc1F)Cl 7a_106832991635_100000709361 [0,1,0,0,0,0|2,0,1]=4 1571 B11R1.81 CNCc1ccc(cc1F)F 207a_100102657272_100000211964 [0,1,0,0,0,0|2,0,1]=4 1572 B11R1.81 CNCc1ccc(cc1F)F 2230a_106832991635_100000748237 [0,1,0,0,0,0|2,0,1]=4 1573 B11R1.81 CNCc1ccc(cc1F)F 270004a_106832991635_100000211964 [0,1,0,0,0,0|2,0,1]=4 1574 B11R1.81 CNCc1ccc(cc1F)F 34a_100000737868_200000210301 [0,1,0,0,0,0|2,0,1]=4 1575 B11R1.81 CNCc1ccc(cc1F)F 34a_100102657272_100000748237 [0,1,0,0,0,0|2,0,1]=4 1576 B11R1.81 CNCc1ccc(cc1F)F 7a_106832991635_100000748237 [0,1,0,0,0,0|2,0,1]=4 1577 B11R1.81 CNCc1ccc(cc1F)I 207a_100102657272_100000050965 [0,1,0,0,0,0|2,0,1]=4 1578 B11R1.81 CNCc1ccc(cc1F)I 2230a_106832991635_100010244991 [0,1,0,0,0,0|2,0,1]=4 1579 B11R1.81 CNCc1ccc(cc1F)I 34a_100102657272_100010244991 [0,1,0,0,0,0|2,0,1]=4 1580 B11R1.81 CNCc1ccc(cc1F)I 7a_106832991635_100010244991 [0,1,0,0,0,0|2,0,1]=4 1581 B11R1.81 CNCc1ccc(cc1I)Br 207a_100102657272_100010146562 [0,1,0,0,0,0|2,0,1]=4 1582 B11R1.81 CNCc1ccc(cc1I)Br 2230a_106832991635_100010146615 [0,1,0,0,0,0|2,0,1]=4 1583 B11R1.81 CNCc1ccc(cc1I)Br 26a_100102657272_100012355227 [0,1,0,0,0,0|2,0,1]=4 1584 B11R1.81 CNCc1ccc(cc1I)Br 270004a_106832991635_100010146562 [0,1,0,0,0,0|2,0,1]=4 1585 B11R1.81 CNCc1ccc(cc1I)Br 34a_100102657272_100010146615 [0,1,0,0,0,0|2,0,1]=4 1586 B11R1.81 CNCc1ccc(cc1I)Br 7a_106832991635_100010146615 [0,1,0,0,0,0|2,0,1]=4 1587 B11R1.81 CNCc1ccc(cc1I)C 207a_100102657272_100010150104 [0,1,0,0,0,0|2,0,1]=4 1588 B11R1.81 CNCc1ccc(cc1I)C 270004a_106832991635_100010150104 [0,1,0,0,0,0|2,0,1]=4 1589 B11R1.81 CNCc1ccc(cc1I)Cl 2230a_106832991635_100010254388 [0,1,0,0,0,0|2,0,1]=4 1590 B11R1.81 CNCc1ccc(cc1I)Cl 34a_100102657272_100010254388 [0,1,0,0,0,0|2,0,1]=4 1591 B11R1.81 CNCc1ccc(cc1I)Cl 7a_106832991635_100010254388 [0,1,0,0,0,0|2,0,1]=4 1592 B11R1.81 CNCc1ccc(cc1I)F 207a_100102657272_100010254405 [0,1,0,0,0,0|2,0,1]=4 1593 B11R1.81 CNCc1ccc(cc1I)F 2230a_106832991635_100012354799 [0,1,0,0,0,0|2,0,1]=4 1594 B11R1.81 CNCc1ccc(cc1I)F 34a_100102657272_100012354799 [0,1,0,0,0,0|2,0,1]=4 1595 B11R1.81 CNCc1ccc(cc1I)F 7a_106832991635_100012354799 [0,1,0,0,0,0|2,0,1]=4 1596 B11R1.81 CNCc1ccc(cc1O)F 271570a_203496583355_200011192132 [0,1,0,0,0,0|2,0,1]=4 1597 B11R1.81 COCc1ccc(cc1Br)Br 34a_100012357508_200000210301 [0,1,0,0,0,0|2,0,1]=4 1598 B11R1.81 COCc1ccc(cc1Br)Br 34a_100138415774_200012351560 [0,1,0,0,0,0|2,0,1]=4 1599 B11R1.81 COCc1ccc(cc1Br)Br 7a_100012357508_200000210301 [0,1,0,0,0,0|2,0,1]=4 1600 B11R1.81 COCc1ccc(cc1Br)Cl 34a_100000707881_200000210301 [0,1,0,0,0,0|2,0,1]=4 1601 B11R1.81 COCc1ccc(cc1Br)Cl 34a_100138415774_100000755608 [0,1,0,0,0,0|2,0,1]=4 1602 B11R1.81 COCc1ccc(cc1Br)Cl 7a_100000707881_200000210301 [0,1,0,0,0,0|2,0,1]=4 1603 B11R1.81 COCc1ccc(cc1Br)F 34a_100000744086_200000210301 [0,1,0,0,0,0|2,0,1]=4 1604 B11R1.81 COCc1ccc(cc1Br)F 34a_100138415774_100000243222 [0,1,0,0,0,0|2,0,1]=4 1605 B11R1.81 COCc1ccc(cc1Br)F 7a_100000744086_200000210301 [0,1,0,0,0,0|2,0,1]=4 1606 B11R1.81 COCc1ccc(cc1Br)I 34a_100138415774_100010146610 [0,1,0,0,0,0|2,0,1]=4 1607 B11R1.81 COCc1ccc(cc1Br)I 7a_100010240206_200000210301 [0,1,0,0,0,0|2,0,1]=4 1608 B11R1.81 COCc1ccc(cc1C)Br 34a_100000748258_200000210301 [0,1,0,0,0,0|2,0,1]=4 1609 B11R1.81 COCc1ccc(cc1C)Br 34a_100138415774_100000708836 [0,1,0,0,0,0|2,0,1]=4 1610 B11R1.81 COCc1ccc(cc1C)Br 7a_100000748258_200000210301 [0,1,0,0,0,0|2,0,1]=4 1611 B11R1.81 COCc1ccc(cc1C)C 34a_100011215341_200000210301 [0,1,0,0,0,0|2,0,1]=4 1612 B11R1.81 COCc1ccc(cc1C)C 34a_100138415774_100011219618 [0,1,0,0,0,0|2,0,1]=4 1613 B11R1.81 COCc1ccc(cc1C)C 7a_100011215341_200000210301 [0,1,0,0,0,0|2,0,1]=4 1614 B11R1.81 COCc1ccc(cc1C)Cl 34a_100000702939_200000210301 [0,1,0,0,0,0|2,0,1]=4 1615 B11R1.81 COCc1ccc(cc1C)Cl 34a_100138415774_100012361307 [0,1,0,0,0,0|2,0,1]=4 1616 B11R1.81 COCc1ccc(cc1C)Cl 7a_100000702939_200000210301 [0,1,0,0,0,0|2,0,1]=4 1617 B11R1.81 COCc1ccc(cc1C)F 34a_100000700136_200000210301 [0,1,0,0,0,0|2,0,1]=4 1618 B11R1.81 COCc1ccc(cc1C)F 34a_100138415774_100000700533 [0,1,0,0,0,0|2,0,1]=4 1619 B11R1.81 COCc1ccc(cc1C)F 7a_100000700136_200000210301 [0,1,0,0,0,0|2,0,1]=4 1620 B11R1.81 COCc1ccc(cc1C)N 34a_100000102464_200000210301 [0,1,0,0,0,0|2,0,1]=4 1621 B11R1.81 COCc1ccc(cc1C)N 7a_100000102464_200000210301 [0,1,0,0,0,0|2,0,1]=4 1622 B11R1.81 COCc1ccc(cc1Cl)Br 34a_100000756401_200000210301 [0,1,0,0,0,0|2,0,1]=4 1623 B11R1.81 COCc1ccc(cc1Cl)Br 34a_100138415774_100011740631 [0,1,0,0,0,0|2,0,1]=4 1624 B11R1.81 COCc1ccc(cc1Cl)Br 7a_100000756401_200000210301 [0,1,0,0,0,0|2,0,1]=4 1625 B11R1.81 COCc1ccc(cc1Cl)C 34a_100000720314_200000210301 [0,1,0,0,0,0|2,0,1]=4 1626 B11R1.81 COCc1ccc(cc1Cl)C 34a_100138415774_100012349684 [0,1,0,0,0,0|2,0,1]=4 1627 B11R1.81 COCc1ccc(cc1Cl)C 7a_100000720314_200000210301 [0,1,0,0,0,0|2,0,1]=4 1628 B11R1.81 COCc1ccc(cc1Cl)Cl 34a_100000215721_200000210301 [0,1,0,0,0,0|2,0,1]=4 1629 B11R1.81 COCc1ccc(cc1Cl)Cl 34a_100138415774_100000188473 [0,1,0,0,0,0|2,0,1]=4 1630 B11R1.81 COCc1ccc(cc1Cl)Cl 7a_100000215721_200000210301 [0,1,0,0,0,0|2,0,1]=4 1631 B11R1.81 COCc1ccc(cc1Cl)F 34a_100011219954_200000210301 [0,1,0,0,0,0|2,0,1]=4 1632 B11R1.81 COCc1ccc(cc1Cl)F 34a_100138415774_100011216360 [0,1,0,0,0,0|2,0,1]=4 1633 B11R1.81 COCc1ccc(cc1Cl)F 7a_100011219954_200000210301 [0,1,0,0,0,0|2,0,1]=4 1634 B11R1.81 COCc1ccc(cc1Cl)N 34a_100000689119_200000210301 [0,1,0,0,0,0|2,0,1]=4 1635 B11R1.81 COCc1ccc(cc1F)Br 34a_100011191541_200000210301 [0,1,0,0,0,0|2,0,1]=4 1636 B11R1.81 COCc1ccc(cc1F)Br 34a_100138415774_100000211606 [0,1,0,0,0,0|2,0,1]=4 1637 B11R1.81 COCc1ccc(cc1F)Br 7a_100011191541_200000210301 [0,1,0,0,0,0|2,0,1]=4 1638 B11R1.81 COCc1ccc(cc1F)C 34a_100011216587_200000210301 [0,1,0,0,0,0|2,0,1]=4 1639 B11R1.81 COCc1ccc(cc1F)C 34a_100138415774_100012002367 [0,1,0,0,0,0|2,0,1]=4 1640 B11R1.81 COCc1ccc(cc1F)C 7a_100011216587_200000210301 [0,1,0,0,0,0|2,0,1]=4 1641 B11R1.81 COCc1ccc(cc1F)Cl 34a_100011217562_200000210301 [0,1,0,0,0,0|2,0,1]=4 1642 B11R1.81 COCc1ccc(cc1F)Cl 34a_100138415774_100000709361 [0,1,0,0,0,0|2,0,1]=4 1643 B11R1.81 COCc1ccc(cc1F)Cl 7a_100011217562_200000210301 [0,1,0,0,0,0|2,0,1]=4 1644 B11R1.81 COCc1ccc(cc1F)F 34a_100011215441_200000210301 [0,1,0,0,0,0|2,0,1]=4 1645 B11R1.81 COCc1ccc(cc1F)F 34a_100138415774_100000748237 [0,1,0,0,0,0|2,0,1]=4 1646 B11R1.81 COCc1ccc(cc1F)F 7a_100011215441_200000210301 [0,1,0,0,0,0|2,0,1]=4 1647 B11R1.81 COCc1ccc(cc1F)I 34a_100138415774_100010244991 [0,1,0,0,0,0|2,0,1]=4 1648 B11R1.81 COCc1ccc(cc1F)I 34a_200010202041_200000210301 [0,1,0,0,0,0|2,0,1]=4 1649 B11R1.81 COCc1ccc(cc1F)I 7a_200010202041_200000210301 [0,1,0,0,0,0|2,0,1]=4 1650 B11R1.81 COCc1ccc(cc1I)Br 34a_100138415774_100010146615 [0,1,0,0,0,0|2,0,1]=4 1651 B11R1.81 COCc1ccc(cc1I)Br 7a_100010146605_200000210301 [0,1,0,0,0,0|2,0,1]=4 1652 B11R1.81 COCc1ccc(cc1I)Cl 34a_100000722340_200000210301 [0,1,0,0,0,0|2,0,1]=4 1653 B11R1.81 COCc1ccc(cc1I)Cl 34a_100138415774_100010254388 [0,1,0,0,0,0|2,0,1]=4 1654 B11R1.81 COCc1ccc(cc1I)Cl 7a_100000722340_200000210301 [0,1,0,0,0,0|2,0,1]=4 1655 B11R1.81 COCc1ccc(cc1I)F 34a_100011356828_200000210301 [0,1,0,0,0,0|2,0,1]=4 1656 B11R1.81 COCc1ccc(cc1I)F 34a_100138415774_100012354799 [0,1,0,0,0,0|2,0,1]=4 1657 B11R1.81 COCc1ccc(cc1I)F 7a_100011356828_200000210301 [0,1,0,0,0,0|2,0,1]=4 1658 B11R1.81 COCc1ccc(cc1N)Br 34a_100000718831_200000210301 [0,1,0,0,0,0|2,0,1]=4 1659 B11R1.81 COCc1ccc(cc1N)Br 7a_100000718831_200000210301 [0,1,0,0,0,0|2,0,1]=4 1660 B11R1.81 COCc1ccc(cc1N)C 34a_100000087799_200000210301 [0,1,0,0,0,0|2,0,1]=4 1661 B11R1.81 COCc1ccc(cc1N)C 7a_100000087799_200000210301 [0,1,0,0,0,0|2,0,1]=4 1662 B11R1.81 COCc1ccc(cc1N)Cl 34a_100000238622_200000210301 [0,1,0,0,0,0|2,0,1]=4 1663 B11R1.81 COCc1ccc(cc1N)Cl 7a_100000238622_200000210301 [0,1,0,0,0,0|2,0,1]=4 1664 B11R1.81 COCc1ccc(cc1N)F 34a_100011996588_200000210301 [0,1,0,0,0,0|2,0,1]=4 1665 B11R1.81 COCc1ccc(cc1N)O 271570a_203496583355_100013084866 [0,1,0,0,0,0|1,0,1]=3 1666 B11R1.81 CSCc1ccc(cc1Br)Br 62a_200000210301_200012351560 [0,1,0,0,0,0|2,0,1]=4 1667 B11R1.81 CSCc1ccc(cc1Br)Br 62a_200012351560_200000210301 [0,1,0,0,0,0|2,0,1]=4 1668 B11R1.81 CSCc1ccc(cc1Br)Cl 62a_100000755608_200000210301 [0,1,0,0,0,0|2,0,1]=4 1669 B11R1.81 CSCc1ccc(cc1Br)Cl 62a_200000210301_100000755608 [0,1,0,0,0,0|2,0,1]=4 1670 B11R1.81 CSCc1ccc(cc1Br)F 62a_100000243222_200000210301 [0,1,0,0,0,0|2,0,1]=4 1671 B11R1.81 CSCc1ccc(cc1Br)F 62a_200000210301_100000243222 [0,1,0,0,0,0|2,0,1]=4 1672 B11R1.81 CSCc1ccc(cc1Br)I 62a_100010146610_200000210301 [0,1,0,0,0,0|2,0,1]=4 1673 B11R1.81 CSCc1ccc(cc1Br)I 62a_200000210301_100010146610 [0,1,0,0,0,0|2,0,1]=4 1674 B11R1.81 CSCc1ccc(cc1C)Br 62a_100000708836_200000210301 [0,1,0,0,0,0|2,0,1]=4 1675 B11R1.81 CSCc1ccc(cc1C)Br 62a_200000210301_100000708836 [0,1,0,0,0,0|2,0,1]=4 1676 B11R1.81 CSCc1ccc(cc1C)C 62a_100011219618_200000210301 [0,1,0,0,0,0|2,0,1]=4 1677 B11R1.81 CSCc1ccc(cc1C)C 62a_200000210301_100011219618 [0,1,0,0,0,0|2,0,1]=4 1678 B11R1.81 CSCc1ccc(cc1C)Cl 62a_100012361307_200000210301 [0,1,0,0,0,0|2,0,1]=4 1679 B11R1.81 CSCc1ccc(cc1C)Cl 62a_200000210301_100012361307 [0,1,0,0,0,0|2,0,1]=4 1680 B11R1.81 CSCc1ccc(cc1C)F 62a_100000700533_200000210301 [0,1,0,0,0,0|2,0,1]=4 1681 B11R1.81 CSCc1ccc(cc1C)F 62a_200000210301_100000700533 [0,1,0,0,0,0|2,0,1]=4 1682 B11R1.81 CSCc1ccc(cc1Cl)Br 62a_100011740631_200000210301 [0,1,0,0,0,0|2,0,1]=4 1683 B11R1.81 CSCc1ccc(cc1Cl)Br 62a_200000210301_100011740631 [0,1,0,0,0,0|2,0,1]=4 1684 B11R1.81 CSCc1ccc(cc1Cl)C 62a_100012349684_200000210301 [0,1,0,0,0,0|2,0,1]=4 1685 B11R1.81 CSCc1ccc(cc1Cl)C 62a_200000210301_100012349684 [0,1,0,0,0,0|2,0,1]=4 1686 B11R1.81 CSCc1ccc(cc1Cl)Cl 62a_100000188473_200000210301 [0,1,0,0,0,0|2,0,1]=4 1687 B11R1.81 CSCc1ccc(cc1Cl)Cl 62a_200000210301_100000188473 [0,1,0,0,0,0|2,0,1]=4 1688 B11R1.81 CSCc1ccc(cc1Cl)F 62a_100000187853_200000210301 [0,1,0,0,0,0|2,0,1]=4 1689 B11R1.81 CSCc1ccc(cc1Cl)F 62a_200000210301_100000187853 [0,1,0,0,0,0|2,0,1]=4 1690 B11R1.81 CSCc1ccc(cc1F)Br 62a_100000211606_200000210301 [0,1,0,0,0,0|2,0,1]=4 1691 B11R1.81 CSCc1ccc(cc1F)Br 62a_200000210301_100000211606 [0,1,0,0,0,0|2,0,1]=4 1692 B11R1.81 CSCc1ccc(cc1F)C 62a_100011217900_200000210301 [0,1,0,0,0,0|2,0,1]=4 1693 B11R1.81 CSCc1ccc(cc1F)C 62a_200000210301_100011217900 [0,1,0,0,0,0|2,0,1]=4 1694 B11R1.81 CSCc1ccc(cc1F)Cl 62a_100000709361_200000210301 [0,1,0,0,0,0|2,0,1]=4 1695 B11R1.81 CSCc1ccc(cc1F)Cl 62a_200000210301_100000709361 [0,1,0,0,0,0|2,0,1]=4 1696 B11R1.81 CSCc1ccc(cc1F)F 62a_100000748237_200000210301 [0,1,0,0,0,0|2,0,1]=4 1697 B11R1.81 CSCc1ccc(cc1F)F 62a_200000210301_100000748237 [0,1,0,0,0,0|2,0,1]=4 1698 B11R1.81 CSCc1ccc(cc1F)I 62a_100010244991_200000210301 [0,1,0,0,0,0|2,0,1]=4 1699 B11R1.81 CSCc1ccc(cc1F)I 62a_200000210301_100010244991 [0,1,0,0,0,0|2,0,1]=4 1700 B11R1.81 CSCc1ccc(cc1I)Br 62a_100010146615_200000210301 [0,1,0,0,0,0|2,0,1]=4 1701 B11R1.81 CSCc1ccc(cc1I)Br 62a_200000210301_100010146615 [0,1,0,0,0,0|2,0,1]=4 1702 B11R1.81 CSCc1ccc(cc1I)Cl 62a_100010254388_200000210301 [0,1,0,0,0,0|2,0,1]=4 1703 B11R1.81 CSCc1ccc(cc1I)Cl 62a_200000210301_100010254388 [0,1,0,0,0,0|2,0,1]=4 1704 B11R1.81 CSCc1ccc(cc1I)F 62a_100012354799_200000210301 [0,1,0,0,0,0|2,0,1]=4 1705 B11R1.81 CSCc1ccc(cc1I)F 62a_200000210301_100012354799 [0,1,0,0,0,0|2,0,1]=4 1706 B11R1.81 Cc1cc(ccc1CC#N)O 271570a_203496583355_100000697864 [0,1,0,0,0,0|1,0,1]=3 1707 B11R1.81 Cc1cc(ccc1CN[13CH3])Br 34a_100000753881_200025704644 [0,1,0,0,0,0|2,0,1]=4 1708 B11R1.81 Cc1cc(ccc1CN[13CH3])Cl 34a_103436540063_200025704644 [0,1,0,0,0,0|2,0,1]=4 1709 B11R1.81 Cc1cc(ccc1CN[13CH3])F 34a_100137329023_200025704644 [0,1,0,0,0,0|2,0,1]=4 1710 B11R1.81 Cc1cc(ccc1CO[13CH3])Br 34a_100000748258_200025704644 [0,1,0,0,0,0|2,0,1]=4 1711 B11R1.81 Cc1cc(ccc1CO[13CH3])Br 7a_100000748258_200025704644 [0,1,0,0,0,0|2,0,1]=4 1712 B11R1.81 Cc1cc(ccc1CO[13CH3])Cl 34a_100000702939_200025704644 [0,1,0,0,0,0|2,0,1]=4 1713 B11R1.81 Cc1cc(ccc1CO[13CH3])Cl 7a_100000702939_200025704644 [0,1,0,0,0,0|2,0,1]=4 1714 B11R1.81 Cc1cc(ccc1CO[13CH3])F 34a_100000700136_200025704644 [0,1,0,0,0,0|2,0,1]=4 1715 B11R1.81 Cc1cc(ccc1CO[13CH3])F 7a_100000700136_200025704644 [0,1,0,0,0,0|2,0,1]=4 1716 B11R1.81 Cc1cc(ccc1CO[13CH3])N 34a_100000102464_200025704644 [0,1,0,0,0,0|2,0,1]=4 1717 B11R1.81 Cc1cc(ccc1CO[13CH3])N 7a_100000102464_200025704644 [0,1,0,0,0,0|2,0,1]=4 1718 B11R1.81 Cc1cc(ccc1CS[13CH3])Br 62a_100000708836_200025704644 [0,1,0,0,0,0|2,0,1]=4 1719 B11R1.81 Cc1cc(ccc1CS[13CH3])Br 62a_200025704644_100000708836 [0,1,0,0,0,0|2,0,1]=4 1720 B11R1.81 Cc1cc(ccc1CS[13CH3])Cl 62a_100012361307_200025704644 [0,1,0,0,0,0|2,0,1]=4 1721 B11R1.81 Cc1cc(ccc1CS[13CH3])Cl 62a_200025704644_100012361307 [0,1,0,0,0,0|2,0,1]=4 1722 B11R1.81 Cc1cc(ccc1CS[13CH3])F 62a_100000700533_200025704644 [0,1,0,0,0,0|2,0,1]=4 1723 B11R1.81 Cc1cc(ccc1CS[13CH3])F 62a_200025704644_100000700533 [0,1,0,0,0,0|2,0,1]=4 1724 B11R1.81 Cc1cc(ccc1NCF)O 34a_100000756630_100015361967 [0,1,0,0,0,0|2,0,1]=4 1725 B11R1.81 Cc1cc(ccc1SCF)O 62a_100015361967_100000690111 [0,1,0,0,0,0|2,0,1]=4 1726 B11R1.81 Cc1ccc(c(c1)C)CN[13CH3] 34a_100000737523_200025704644 [0,1,0,0,0,0|2,0,1]=4 1727 B11R1.81 Cc1ccc(c(c1)C)CO[13CH3] 34a_100011215341_200025704644 [0,1,0,0,0,0|2,0,1]=4 1728 B11R1.81 Cc1ccc(c(c1)C)CO[13CH3] 7a_100011215341_200025704644 [0,1,0,0,0,0|2,0,1]=4 1729 B11R1.81 Cc1ccc(c(c1)C)CS[13CH3] 62a_100011219618_200025704644 [0,1,0,0,0,0|2,0,1]=4 1730 B11R1.81 Cc1ccc(c(c1)C)CS[13CH3] 62a_200025704644_100011219618 [0,1,0,0,0,0|2,0,1]=4 1731 B11R1.81 Cc1ccc(c(c1)Cl)CN[13CH3] 34a_100011997539_200025704644 [0,1,0,0,0,0|2,0,1]=4 1732 B11R1.81 Cc1ccc(c(c1)Cl)CO[13CH3] 34a_100000720314_200025704644 [0,1,0,0,0,0|2,0,1]=4 1733 B11R1.81 Cc1ccc(c(c1)Cl)CO[13CH3] 7a_100000720314_200025704644 [0,1,0,0,0,0|2,0,1]=4 1734 B11R1.81 Cc1ccc(c(c1)Cl)CS[13CH3] 62a_100012349684_200025704644 [0,1,0,0,0,0|2,0,1]=4 1735 B11R1.81 Cc1ccc(c(c1)Cl)CS[13CH3] 62a_200025704644_100012349684 [0,1,0,0,0,0|2,0,1]=4 1736 B11R1.81 Cc1ccc(c(c1)F)CN[13CH3] 34a_100102887089_200025704644 [0,1,0,0,0,0|2,0,1]=4 1737 B11R1.81 Cc1ccc(c(c1)F)CO[13CH3] 34a_100011216587_200025704644 [0,1,0,0,0,0|2,0,1]=4 1738 B11R1.81 Cc1ccc(c(c1)F)CO[13CH3] 7a_100011216587_200025704644 [0,1,0,0,0,0|2,0,1]=4 1739 B11R1.81 Cc1ccc(c(c1)F)CS[13CH3] 62a_100011217900_200025704644 [0,1,0,0,0,0|2,0,1]=4 1740 B11R1.81 Cc1ccc(c(c1)F)CS[13CH3] 62a_200025704644_100011217900 [0,1,0,0,0,0|2,0,1]=4 1741 B11R1.81 Cc1ccc(c(c1)N)CO[13CH3] 34a_100000087799_200025704644 [0,1,0,0,0,0|2,0,1]=4 1742 B11R1.81 Cc1ccc(c(c1)N)CO[13CH3] 7a_100000087799_200025704644 [0,1,0,0,0,0|2,0,1]=4 1743 B11R1.81 N#CCc1ccc(cc1F)O 271570a_203496583355_100011295474 [0,1,0,0,0,0|1,0,1]=3 1744 B11R1.81 N#CCc1ccc(cc1O)F 271570a_203496583355_100011207962 [0,1,0,0,0,0|2,0,1]=4 1745 B11R1.81 N#CCc1ncc(cc1F)O 271570a_203496583355_200012355362 [0,1,0,0,0,0|2,0,1]=4 1746 B11R1.81 N#CSc1ccc(cc1F)O 271570a_203496583355_100025703542 [0,1,0,0,0,0|2,0,1]=4 1747 B11R1.81 Nc1cc(ccc1SCF)O 62a_100011999798_100015361967 [0,1,0,0,0,0|2,0,1]=4 1748 B11R1.81 Nc1cc(ccc1SCF)O 62a_100015361967_100011999798 [0,1,0,0,0,0|2,0,1]=4 1749 B11R1.81 OCCc1ccc(cc1F)O 271570a_203496583355_100011962869 [0,1,0,0,0,0|1,0,1]=3 1750 B11R1.81 Oc1ccc(c(c1)Br)NCF 34a_100012001276_100015361967 [0,1,0,0,0,0|2,0,1]=4 1751 B11R1.81 Oc1ccc(c(c1)Br)SCF 62a_100000701344_100015361967 [0,1,0,0,0,0|2,0,1]=4 1752 B11R1.81 Oc1ccc(c(c1)Br)SCF 62a_100015361967_100000701344 [0,1,0,0,0,0|2,0,1]=4 1753 B11R1.81 Oc1ccc(c(c1)Cl)NCF 34a_100011215599_100015361967 [0,1,0,0,0,0|2,0,1]=4 1754 B11R1.81 Oc1ccc(c(c1)Cl)SCF 62a_100000047559_100015361967 [0,1,0,0,0,0|2,0,1]=4 1755 B11R1.81 Oc1ccc(c(c1)Cl)SCF 62a_100015361967_100000047559 [0,1,0,0,0,0|2,0,1]=4 1756 B11R1.81 Oc1ccc(c(c1)F)NCF 34a_100000759473_100015361967 [0,1,0,0,0,0|2,0,1]=4 1757 B11R1.81 Oc1ccc(c(c1)F)SCF 62a_100000755031_100015361967 [0,1,0,0,0,0|2,0,1]=4 1758 B11R1.81 Oc1ccc(c(c1)F)SCF 62a_100015361967_100000755031 [0,1,0,0,0,0|2,0,1]=4 1759 B11R1.81 Oc1ccc(c(c1)I)NCF 34a_100010084370_100015361967 [0,1,0,0,0,0|2,0,1]=4 1760 B11R1.81 Oc1ccc(c(c1)O)NCF 34a_100000106777_100015361967 [0,1,0,0,0,0|2,0,1]=4 1761 B11R1.81 Oc1ccc(c(c1)O)SCF 62a_100015361967_100009813921 [0,1,0,0,0,0|2,0,1]=4 1762 B11R1.81 [13CH3]NCc1ccc(cc1Br)Cl 34a_100102692131_200025704644 [0,1,0,0,0,0|2,0,1]=4 1763 B11R1.81 [13CH3]NCc1ccc(cc1Br)F 34a_100000708791_200025704644 [0,1,0,0,0,0|2,0,1]=4 1764 B11R1.81 [13CH3]NCc1ccc(cc1Cl)Br 34a_100020628970_200025704644 [0,1,0,0,0,0|2,0,1]=4 1765 B11R1.81 [13CH3]NCc1ccc(cc1Cl)Cl 34a_100000174880_200025704644 [0,1,0,0,0,0|2,0,1]=4 1766 B11R1.81 [13CH3]NCc1ccc(cc1Cl)F 34a_100000174946_200025704644 [0,1,0,0,0,0|2,0,1]=4 1767 B11R1.81 [13CH3]NCc1ccc(cc1Cl)O 34a_200161156549_200025704644 [0,1,0,0,0,0|1,0,1]=3 1768 B11R1.81 [13CH3]NCc1ccc(cc1F)Br 34a_100000754580_200025704644 [0,1,0,0,0,0|2,0,1]=4 1769 B11R1.81 [13CH3]NCc1ccc(cc1F)Cl 34a_100000708496_200025704644 [0,1,0,0,0,0|2,0,1]=4 1770 B11R1.81 [13CH3]NCc1ccc(cc1F)F 34a_100000737868_200025704644 [0,1,0,0,0,0|2,0,1]=4 1771 B11R1.81 [13CH3]OCc1ccc(cc1Br)Br 34a_100012357508_200025704644 [0,1,0,0,0,0|2,0,1]=4 1772 B11R1.81 [13CH3]OCc1ccc(cc1Br)Br 7a_100012357508_200025704644 [0,1,0,0,0,0|2,0,1]=4 1773 B11R1.81 [13CH3]OCc1ccc(cc1Br)Cl 34a_100000707881_200025704644 [0,1,0,0,0,0|2,0,1]=4 1774 B11R1.81 [13CH3]OCc1ccc(cc1Br)Cl 7a_100000707881_200025704644 [0,1,0,0,0,0|2,0,1]=4 1775 B11R1.81 [13CH3]OCc1ccc(cc1Br)F 34a_100000744086_200025704644 [0,1,0,0,0,0|2,0,1]=4 1776 B11R1.81 [13CH3]OCc1ccc(cc1Br)F 7a_100000744086_200025704644 [0,1,0,0,0,0|2,0,1]=4 1777 B11R1.81 [13CH3]OCc1ccc(cc1Br)I 7a_100010240206_200025704644 [0,1,0,0,0,0|2,0,1]=4 1778 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Br 34a_100000756401_200025704644 [0,1,0,0,0,0|2,0,1]=4 1779 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Br 7a_100000756401_200025704644 [0,1,0,0,0,0|2,0,1]=4 1780 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Cl 34a_100000215721_200025704644 [0,1,0,0,0,0|2,0,1]=4 1781 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Cl 7a_100000215721_200025704644 [0,1,0,0,0,0|2,0,1]=4 1782 B11R1.81 [13CH3]OCc1ccc(cc1Cl)F 34a_100011219954_200025704644 [0,1,0,0,0,0|2,0,1]=4 1783 B11R1.81 [13CH3]OCc1ccc(cc1Cl)F 7a_100011219954_200025704644 [0,1,0,0,0,0|2,0,1]=4 1784 B11R1.81 [13CH3]OCc1ccc(cc1Cl)N 34a_100000689119_200025704644 [0,1,0,0,0,0|2,0,1]=4 1785 B11R1.81 [13CH3]OCc1ccc(cc1F)Br 34a_100011191541_200025704644 [0,1,0,0,0,0|2,0,1]=4 1786 B11R1.81 [13CH3]OCc1ccc(cc1F)Br 7a_100011191541_200025704644 [0,1,0,0,0,0|2,0,1]=4 1787 B11R1.81 [13CH3]OCc1ccc(cc1F)Cl 34a_100011217562_200025704644 [0,1,0,0,0,0|2,0,1]=4 1788 B11R1.81 [13CH3]OCc1ccc(cc1F)Cl 7a_100011217562_200025704644 [0,1,0,0,0,0|2,0,1]=4 1789 B11R1.81 [13CH3]OCc1ccc(cc1F)F 34a_100011215441_200025704644 [0,1,0,0,0,0|2,0,1]=4 1790 B11R1.81 [13CH3]OCc1ccc(cc1F)F 7a_100011215441_200025704644 [0,1,0,0,0,0|2,0,1]=4 1791 B11R1.81 [13CH3]OCc1ccc(cc1F)I 34a_200010202041_200025704644 [0,1,0,0,0,0|2,0,1]=4 1792 B11R1.81 [13CH3]OCc1ccc(cc1F)I 7a_200010202041_200025704644 [0,1,0,0,0,0|2,0,1]=4 1793 B11R1.81 [13CH3]OCc1ccc(cc1I)Br 7a_100010146605_200025704644 [0,1,0,0,0,0|2,0,1]=4 1794 B11R1.81 [13CH3]OCc1ccc(cc1I)Cl 34a_100000722340_200025704644 [0,1,0,0,0,0|2,0,1]=4 1795 B11R1.81 [13CH3]OCc1ccc(cc1I)Cl 7a_100000722340_200025704644 [0,1,0,0,0,0|2,0,1]=4 1796 B11R1.81 [13CH3]OCc1ccc(cc1I)F 34a_100011356828_200025704644 [0,1,0,0,0,0|2,0,1]=4 1797 B11R1.81 [13CH3]OCc1ccc(cc1I)F 7a_100011356828_200025704644 [0,1,0,0,0,0|2,0,1]=4 1798 B11R1.81 [13CH3]OCc1ccc(cc1N)Br 34a_100000718831_200025704644 [0,1,0,0,0,0|2,0,1]=4 1799 B11R1.81 [13CH3]OCc1ccc(cc1N)Br 7a_100000718831_200025704644 [0,1,0,0,0,0|2,0,1]=4 1800 B11R1.81 [13CH3]OCc1ccc(cc1N)Cl 34a_100000238622_200025704644 [0,1,0,0,0,0|2,0,1]=4 1801 B11R1.81 [13CH3]OCc1ccc(cc1N)Cl 7a_100000238622_200025704644 [0,1,0,0,0,0|2,0,1]=4 1802 B11R1.81 [13CH3]OCc1ccc(cc1N)F 34a_100011996588_200025704644 [0,1,0,0,0,0|2,0,1]=4 1803 B11R1.81 [13CH3]SCc1ccc(cc1Br)Br 62a_200012351560_200025704644 [0,1,0,0,0,0|2,0,1]=4 1804 B11R1.81 [13CH3]SCc1ccc(cc1Br)Br 62a_200025704644_200012351560 [0,1,0,0,0,0|2,0,1]=4 1805 B11R1.81 [13CH3]SCc1ccc(cc1Br)Cl 62a_100000755608_200025704644 [0,1,0,0,0,0|2,0,1]=4 1806 B11R1.81 [13CH3]SCc1ccc(cc1Br)Cl 62a_200025704644_100000755608 [0,1,0,0,0,0|2,0,1]=4 1807 B11R1.81 [13CH3]SCc1ccc(cc1Br)F 62a_100000243222_200025704644 [0,1,0,0,0,0|2,0,1]=4 1808 B11R1.81 [13CH3]SCc1ccc(cc1Br)F 62a_200025704644_100000243222 [0,1,0,0,0,0|2,0,1]=4 1809 B11R1.81 [13CH3]SCc1ccc(cc1Br)I 62a_100010146610_200025704644 [0,1,0,0,0,0|2,0,1]=4 1810 B11R1.81 [13CH3]SCc1ccc(cc1Br)I 62a_200025704644_100010146610 [0,1,0,0,0,0|2,0,1]=4 1811 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Br 62a_100011740631_200025704644 [0,1,0,0,0,0|2,0,1]=4 1812 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Br 62a_200025704644_100011740631 [0,1,0,0,0,0|2,0,1]=4 1813 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Cl 62a_100000188473_200025704644 [0,1,0,0,0,0|2,0,1]=4 1814 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Cl 62a_200025704644_100000188473 [0,1,0,0,0,0|2,0,1]=4 1815 B11R1.81 [13CH3]SCc1ccc(cc1Cl)F 62a_100000187853_200025704644 [0,1,0,0,0,0|2,0,1]=4 1816 B11R1.81 [13CH3]SCc1ccc(cc1Cl)F 62a_200025704644_100000187853 [0,1,0,0,0,0|2,0,1]=4 1817 B11R1.81 [13CH3]SCc1ccc(cc1F)Br 62a_100000211606_200025704644 [0,1,0,0,0,0|2,0,1]=4 1818 B11R1.81 [13CH3]SCc1ccc(cc1F)Br 62a_200025704644_100000211606 [0,1,0,0,0,0|2,0,1]=4 1819 B11R1.81 [13CH3]SCc1ccc(cc1F)Cl 62a_100000709361_200025704644 [0,1,0,0,0,0|2,0,1]=4 1820 B11R1.81 [13CH3]SCc1ccc(cc1F)Cl 62a_200025704644_100000709361 [0,1,0,0,0,0|2,0,1]=4 1821 B11R1.81 [13CH3]SCc1ccc(cc1F)F 62a_100000748237_200025704644 [0,1,0,0,0,0|2,0,1]=4 1822 B11R1.81 [13CH3]SCc1ccc(cc1F)F 62a_200025704644_100000748237 [0,1,0,0,0,0|2,0,1]=4 1823 B11R1.81 [13CH3]SCc1ccc(cc1F)I 62a_100010244991_200025704644 [0,1,0,0,0,0|2,0,1]=4 1824 B11R1.81 [13CH3]SCc1ccc(cc1F)I 62a_200025704644_100010244991 [0,1,0,0,0,0|2,0,1]=4 1825 B11R1.81 [13CH3]SCc1ccc(cc1I)Br 62a_100010146615_200025704644 [0,1,0,0,0,0|2,0,1]=4 1826 B11R1.81 [13CH3]SCc1ccc(cc1I)Br 62a_200025704644_100010146615 [0,1,0,0,0,0|2,0,1]=4 1827 B11R1.81 [13CH3]SCc1ccc(cc1I)Cl 62a_100010254388_200025704644 [0,1,0,0,0,0|2,0,1]=4 1828 B11R1.81 [13CH3]SCc1ccc(cc1I)Cl 62a_200025704644_100010254388 [0,1,0,0,0,0|2,0,1]=4 1829 B11R1.81 [13CH3]SCc1ccc(cc1I)F 62a_100012354799_200025704644 [0,1,0,0,0,0|2,0,1]=4 1830 B11R1.81 [13CH3]SCc1ccc(cc1I)F 62a_200025704644_100012354799 [0,1,0,0,0,0|2,0,1]=4 1831 B11R1.83 C#Cc1ccc(cc1)CNC 207a_100102657272_100011361452 [0,1,0,0,0,0|2,0,1]=4 1832 B11R1.83 C#Cc1ccc(cc1)CNC 2230a_100015199678_200000210301 [0,1,0,0,0,0|2,0,1]=4 1833 B11R1.83 C#Cc1ccc(cc1)CNC 2230a_106832991635_100000140223 [0,1,0,0,0,0|2,0,1]=4 1834 B11R1.83 C#Cc1ccc(cc1)CNC 270004a_106832991635_100011361452 [0,1,0,0,0,0|2,0,1]=4 1835 B11R1.83 C#Cc1ccc(cc1)CNC 34a_100015199678_200000210301 [0,1,0,0,0,0|2,0,1]=4 1836 B11R1.83 C#Cc1ccc(cc1)CNC 34a_100102657272_100000140223 [0,1,0,0,0,0|2,0,1]=4 1837 B11R1.83 C#Cc1ccc(cc1)CNC 7a_106832991635_100000140223 [0,1,0,0,0,0|2,0,1]=4 1838 B11R1.83 C#Cc1ccc(cc1)CN[13CH3] 2230a_100015199678_200025704644 [0,1,0,0,0,0|2,0,1]=4 1839 B11R1.83 C#Cc1ccc(cc1)CN[13CH3] 34a_100015199678_200025704644 [0,1,0,0,0,0|2,0,1]=4 1840 B11R1.83 C#Cc1ccc(cc1)COC 34a_100000054647_200000210301 [0,1,0,0,0,0|2,0,1]=4 1841 B11R1.83 C#Cc1ccc(cc1)COC 34a_100138415774_100000140223 [0,1,0,0,0,0|2,0,1]=4 1842 B11R1.83 C#Cc1ccc(cc1)COC 7a_100000054647_200000210301 [0,1,0,0,0,0|2,0,1]=4 1843 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 34a_100000054647_200025704644 [0,1,0,0,0,0|2,0,1]=4 1844 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 7a_100000054647_200025704644 [0,1,0,0,0,0|2,0,1]=4 1845 B11R1.83 C#Cc1ccc(cc1)CSC 62a_200000210301_100000140223 [0,1,0,0,0,0|2,0,1]=4 1846 B11R1.83 C#Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000140223 [0,1,0,0,0,0|2,0,1]=4 1847 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_100016259036_200000210301 [0,1,0,0,0,0|0,1,2]=4 1848 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_200000210301_100016259036 [0,1,0,0,0,0|0,1,2]=4 1849 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_100016259036_200025704644 [0,1,0,0,0,0|0,1,2]=4 1850 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100016259036 [0,1,0,0,0,0|0,1,2]=4 1851 B11R1.83 C=C=Cc1ccc(cc1)C#N 271570a_100015277604_100000179745 [0,1,0,0,0,0|1,0,2]=4 1852 B11R1.83 C=C=Cc1ccc(cc1)C=O 271570a_100015277604_100000186029 [0,1,0,0,0,0|0,0,3]=4 1853 B11R1.83 C=C=Cc1ccc(cc1)CC 271570a_100015277604_100011215824 [0,1,0,0,0,0|1,0,2]=4 1854 B11R1.83 C=C=Cc1ccc(cc1)CF 271570a_100015277604_100010268989 [0,1,0,0,0,0|1,0,2]=4 1855 B11R1.83 C=C=Cc1ccc(cc1)CN 271570a_100015277604_100016989417 [0,1,0,0,0,0|1,0,2]=4 1856 B11R1.83 C=C=Cc1ccc(cc1)CO 271570a_100015277604_100000690907 [0,1,0,0,0,0|0,0,2]=3 1857 B11R1.83 C=C=Cc1ccc(cc1)NC 271570a_100015277604_100000219623 [0,1,0,0,0,0|1,0,2]=4 1858 B11R1.83 C=C=Cc1ccc(cc1)NN 271570a_100015277604_100016988836 [0,1,0,0,0,0|1,0,2]=4 1859 B11R1.83 C=C=Cc1ccc(cc1)OC 271570a_100015277604_100000171711 [0,1,0,0,0,0|0,0,2]=3 1860 B11R1.83 C=C=Cc1ccc(cc1)SC 271570a_100015277604_100011263217 [0,1,0,0,0,0|0,1,2]=4 1861 B11R1.83 C=C=Cc1ccc(cn1)CO 271570a_100015277604_100009816760 [0,1,0,0,0,0|1,0,2]=4 1862 B11R1.83 C=C=Cc1ccc(cn1)OC 271570a_100015277604_100000755202 [0,1,0,0,0,0|1,0,2]=4 1863 B11R1.83 C=C=Cc1ccc(nc1)CO 271570a_100015277604_100000754261 [0,1,0,0,0,0|1,0,2]=4 1864 B11R1.83 C=C=Cc1ccc(nc1)OC 271570a_100015277604_100000047065 [0,1,0,0,0,0|1,0,2]=4 1865 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [0,1,0,0,0,0|0,0,0]=1 1866 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [0,1,0,0,0,0|0,0,0]=1 1867 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [0,1,0,0,0,0|0,0,0]=1 1868 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [0,1,0,0,0,0|0,0,0]=1 1869 B11R1.83 C=COc1ccc(cc1)SC 62a_100000704263_200000210301 [0,1,0,0,0,0|1,1,0]=3 1870 B11R1.83 C=COc1ccc(cc1)SC 62a_200000210301_100000704263 [0,1,0,0,0,0|1,1,0]=3 1871 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_100000704263_200025704644 [0,1,0,0,0,0|1,1,0]=3 1872 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_200025704644_100000704263 [0,1,0,0,0,0|1,1,0]=3 1873 B11R1.83 C=Cc1ccc(cc1)/C=C/Br 271570a_100011290941_200016255901 [0,1,0,0,0,0|2,0,1]=4 1874 B11R1.83 C=Cc1ccc(cc1)/C=C/C 271570a_100011290941_100016259036 [0,1,0,0,0,0|1,0,2]=4 1875 B11R1.83 C=Cc1ccc(cc1)CC#N 271570a_100011290941_100011217881 [0,1,0,0,0,0|2,0,1]=4 1876 B11R1.83 C=Cc1ccc(cc1)CC=O 271570a_100011290941_100011361690 [0,1,0,0,0,0|2,0,0]=3 1877 B11R1.83 C=Cc1ccc(cc1)CCC 271570a_100011290941_100000750032 [0,1,0,0,0,0|1,0,2]=4 1878 B11R1.83 C=Cc1ccc(cc1)CCN 271570a_100011290941_100000755846 [0,1,0,0,0,0|2,0,1]=4 1879 B11R1.83 C=Cc1ccc(cc1)CCO 271570a_100011290941_100000766406 [0,1,0,0,0,0|2,0,1]=4 1880 B11R1.83 C=Cc1ccc(cc1)CNC 2230a_106832991635_100000034074 [0,1,0,0,0,0|2,0,1]=4 1881 B11R1.83 C=Cc1ccc(cc1)CNC 26a_100102657272_100000189437 [0,1,0,0,0,0|2,0,1]=4 1882 B11R1.83 C=Cc1ccc(cc1)CNC 270004a_106832991635_100011361436 [0,1,0,0,0,0|2,0,1]=4 1883 B11R1.83 C=Cc1ccc(cc1)CNC 271570a_100011290941_100000180866 [0,1,0,0,0,0|2,0,1]=4 1884 B11R1.83 C=Cc1ccc(cc1)CNC 34a_100102657272_100000034074 [0,1,0,0,0,0|2,0,1]=4 1885 B11R1.83 C=Cc1ccc(cc1)CNC 34a_200011934891_200000210301 [0,1,0,0,0,0|2,0,1]=4 1886 B11R1.83 C=Cc1ccc(cc1)CNC 7a_106832991635_100000034074 [0,1,0,0,0,0|2,0,1]=4 1887 B11R1.83 C=Cc1ccc(cc1)CNN 271570a_100011290941_100016993955 [0,1,0,0,0,0|3,0,0]=4 1888 B11R1.83 C=Cc1ccc(cc1)CN[13CH3] 34a_200011934891_200025704644 [0,1,0,0,0,0|2,0,1]=4 1889 B11R1.83 C=Cc1ccc(cc1)COC 271570a_100011290941_100011493685 [0,1,0,0,0,0|2,0,1]=4 1890 B11R1.83 C=Cc1ccc(cc1)COC 34a_100000073583_200000210301 [0,1,0,0,0,0|2,0,1]=4 1891 B11R1.83 C=Cc1ccc(cc1)COC 34a_100138415774_100000034074 [0,1,0,0,0,0|2,0,1]=4 1892 B11R1.83 C=Cc1ccc(cc1)COC 7a_100000073583_200000210301 [0,1,0,0,0,0|2,0,1]=4 1893 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 34a_100000073583_200025704644 [0,1,0,0,0,0|2,0,1]=4 1894 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 7a_100000073583_200025704644 [0,1,0,0,0,0|2,0,1]=4 1895 B11R1.83 C=Cc1ccc(cc1)CSC 62a_100000034074_200000210301 [0,1,0,0,0,0|2,0,1]=4 1896 B11R1.83 C=Cc1ccc(cc1)CSC 62a_200000210301_100000034074 [0,1,0,0,0,0|2,0,1]=4 1897 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_100000034074_200025704644 [0,1,0,0,0,0|2,0,1]=4 1898 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000034074 [0,1,0,0,0,0|2,0,1]=4 1899 B11R1.83 CC=Cc1ccc(cc1)C#N 271570a_100016259895_100000179745 [0,1,0,0,0,0|1,0,2]=4 1900 B11R1.83 CC=Cc1ccc(cc1)C=O 271570a_100016259895_100000186029 [0,1,0,0,0,0|0,0,3]=4 1901 B11R1.83 CC=Cc1ccc(cc1)CC 271570a_100016259895_100011215824 [0,1,0,0,0,0|1,0,2]=4 1902 B11R1.83 CC=Cc1ccc(cc1)CF 271570a_100016259895_100010268989 [0,1,0,0,0,0|1,0,2]=4 1903 B11R1.83 CC=Cc1ccc(cc1)CN 271570a_100016259895_100016989417 [0,1,0,0,0,0|1,0,2]=4 1904 B11R1.83 CC=Cc1ccc(cc1)CO 271570a_100016259895_100000690907 [0,1,0,0,0,0|0,0,2]=3 1905 B11R1.83 CC=Cc1ccc(cc1)NC 271570a_100016259895_100000219623 [0,1,0,0,0,0|1,0,2]=4 1906 B11R1.83 CC=Cc1ccc(cc1)NN 271570a_100016259895_100016988836 [0,1,0,0,0,0|1,0,2]=4 1907 B11R1.83 CC=Cc1ccc(cc1)OC 271570a_100016259895_100000171711 [0,1,0,0,0,0|0,0,2]=3 1908 B11R1.83 CC=Cc1ccc(cc1)SC 271570a_100016259895_100011263217 [0,1,0,0,0,0|0,1,2]=4 1909 B11R1.83 CC=Cc1ccc(cn1)CO 271570a_100016259895_100009816760 [0,1,0,0,0,0|1,0,2]=4 1910 B11R1.83 CC=Cc1ccc(cn1)OC 271570a_100016259895_100000755202 [0,1,0,0,0,0|1,0,2]=4 1911 B11R1.83 CC=Cc1ccc(nc1)CO 271570a_100016259895_100000754261 [0,1,0,0,0,0|1,0,2]=4 1912 B11R1.83 CC=Cc1ccc(nc1)OC 271570a_100016259895_100000047065 [0,1,0,0,0,0|1,0,2]=4 1913 B11R1.83 CCCc1ccc(cc1)NC 2230a_100000211780_200000210301 [0,1,0,0,0,0|1,0,2]=4 1914 B11R1.83 CCCc1ccc(cc1)NC 34a_100000211780_200000210301 [0,1,0,0,0,0|1,0,2]=4 1915 B11R1.83 CCCc1ccc(cc1)N[13CH3] 2230a_100000211780_200025704644 [0,1,0,0,0,0|1,0,2]=4 1916 B11R1.83 CCCc1ccc(cc1)N[13CH3] 34a_100000211780_200025704644 [0,1,0,0,0,0|1,0,2]=4 1917 B11R1.83 CCCc1ccc(cc1)OC 34a_100000749406_200000210301 [0,1,0,0,0,0|0,0,2]=3 1918 B11R1.83 CCCc1ccc(cc1)OC 7a_100000749406_200000210301 [0,1,0,0,0,0|0,0,2]=3 1919 B11R1.83 CCCc1ccc(cc1)O[13CH3] 34a_100000749406_200025704644 [0,1,0,0,0,0|0,0,2]=3 1920 B11R1.83 CCCc1ccc(cc1)O[13CH3] 7a_100000749406_200025704644 [0,1,0,0,0,0|0,0,2]=3 1921 B11R1.83 CCCc1ccc(cc1)SC 62a_100000750032_200000210301 [0,1,0,0,0,0|0,1,2]=4 1922 B11R1.83 CCCc1ccc(cc1)SC 62a_200000210301_100000750032 [0,1,0,0,0,0|0,1,2]=4 1923 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_100000750032_200025704644 [0,1,0,0,0,0|0,1,2]=4 1924 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000750032 [0,1,0,0,0,0|0,1,2]=4 1925 B11R1.83 CCNc1ccc(cc1)CO 2230a_100011215238_100000210202 [0,1,0,0,0,0|1,0,2]=4 1926 B11R1.83 CCNc1ccc(cc1)CO 34a_100011215238_100000210202 [0,1,0,0,0,0|1,0,2]=4 1927 B11R1.83 CCNc1ccc(cc1)OC 34a_100000184247_100000210202 [0,1,0,0,0,0|1,0,2]=4 1928 B11R1.83 CCNc1ccc(cc1)OC 34a_100011337800_200000210301 [0,1,0,0,0,0|1,0,2]=4 1929 B11R1.83 CCNc1ccc(cc1)OC 7a_100011337800_200000210301 [0,1,0,0,0,0|1,0,2]=4 1930 B11R1.83 CCNc1ccc(cc1)O[13CH3] 34a_100011337800_200025704644 [0,1,0,0,0,0|1,0,2]=4 1931 B11R1.83 CCNc1ccc(cc1)O[13CH3] 7a_100011337800_200025704644 [0,1,0,0,0,0|1,0,2]=4 1932 B11R1.83 CCOc1ccc(cc1)CO 34a_100000211755_100000210202 [0,1,0,0,0,0|1,0,2]=4 1933 B11R1.83 CCOc1ccc(cc1)OC 34a_100000185467_200000210301 [0,1,0,0,0,0|1,0,2]=4 1934 B11R1.83 CCOc1ccc(cc1)OC 34a_100000210503_100000210202 [0,1,0,0,0,0|1,0,2]=4 1935 B11R1.83 CCOc1ccc(cc1)O[13CH3] 34a_100000185467_200025704644 [0,1,0,0,0,0|1,0,2]=4 1936 B11R1.83 CCSc1ccc(cc1)CO 62a_100000210202_100000690907 [0,1,0,0,0,0|1,0,2]=4 1937 B11R1.83 CCSc1ccc(cc1)CO 62a_100000690907_100000210202 [0,1,0,0,0,0|1,0,2]=4 1938 B11R1.83 CCSc1ccc(cc1)OC 62a_100000210202_100000171711 [0,1,0,0,0,0|1,0,2]=4 1939 B11R1.83 CCc1ccc(cc1)CNC 207a_100102657272_100000211036 [0,1,0,0,0,0|2,0,1]=4 1940 B11R1.83 CCc1ccc(cc1)CNC 2230a_100000721222_200000210301 [0,1,0,0,0,0|2,0,1]=4 1941 B11R1.83 CCc1ccc(cc1)CNC 2230a_106832991635_100000747183 [0,1,0,0,0,0|2,0,1]=4 1942 B11R1.83 CCc1ccc(cc1)CNC 26a_100102657272_100000211359 [0,1,0,0,0,0|2,0,1]=4 1943 B11R1.83 CCc1ccc(cc1)CNC 270004a_106832991635_100000211036 [0,1,0,0,0,0|2,0,1]=4 1944 B11R1.83 CCc1ccc(cc1)CNC 34a_100000721222_200000210301 [0,1,0,0,0,0|2,0,1]=4 1945 B11R1.83 CCc1ccc(cc1)CNC 34a_100102657272_100000747183 [0,1,0,0,0,0|2,0,1]=4 1946 B11R1.83 CCc1ccc(cc1)CNC 7a_106832991635_100000747183 [0,1,0,0,0,0|2,0,1]=4 1947 B11R1.83 CCc1ccc(cc1)CN[13CH3] 2230a_100000721222_200025704644 [0,1,0,0,0,0|2,0,1]=4 1948 B11R1.83 CCc1ccc(cc1)CN[13CH3] 34a_100000721222_200025704644 [0,1,0,0,0,0|2,0,1]=4 1949 B11R1.83 CCc1ccc(cc1)COC 34a_100000702245_200000210301 [0,1,0,0,0,0|2,0,1]=4 1950 B11R1.83 CCc1ccc(cc1)COC 34a_100138415774_100000747183 [0,1,0,0,0,0|2,0,1]=4 1951 B11R1.83 CCc1ccc(cc1)COC 7a_100000702245_200000210301 [0,1,0,0,0,0|2,0,1]=4 1952 B11R1.83 CCc1ccc(cc1)CO[13CH3] 34a_100000702245_200025704644 [0,1,0,0,0,0|2,0,1]=4 1953 B11R1.83 CCc1ccc(cc1)CO[13CH3] 7a_100000702245_200025704644 [0,1,0,0,0,0|2,0,1]=4 1954 B11R1.83 CCc1ccc(cc1)CSC 62a_100000757233_200000210301 [0,1,0,0,0,0|2,0,1]=4 1955 B11R1.83 CCc1ccc(cc1)CSC 62a_200000210301_100000747183 [0,1,0,0,0,0|2,0,1]=4 1956 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_100000757233_200025704644 [0,1,0,0,0,0|2,0,1]=4 1957 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_200025704644_100000747183 [0,1,0,0,0,0|2,0,1]=4 1958 B11R1.83 CNCc1ccc(cc1)C#N 207a_100102657272_100000211122 [0,1,0,0,0,0|2,0,1]=4 1959 B11R1.83 CNCc1ccc(cc1)C#N 2230a_106832991635_100000184898 [0,1,0,0,0,0|2,0,1]=4 1960 B11R1.83 CNCc1ccc(cc1)C#N 26a_100102657272_100000210344 [0,1,0,0,0,0|2,0,1]=4 1961 B11R1.83 CNCc1ccc(cc1)C#N 270004a_106832991635_100000211122 [0,1,0,0,0,0|2,0,1]=4 1962 B11R1.83 CNCc1ccc(cc1)C#N 34a_100015207190_200000210301 [0,1,0,0,0,0|2,0,1]=4 1963 B11R1.83 CNCc1ccc(cc1)C#N 34a_100102657272_100000184898 [0,1,0,0,0,0|2,0,1]=4 1964 B11R1.83 CNCc1ccc(cc1)C#N 7a_106832991635_100000184898 [0,1,0,0,0,0|2,0,1]=4 1965 B11R1.83 CNCc1ccc(cc1)C=O 2230a_106832991635_100009816848 [0,1,0,0,0,0|1,0,2]=4 1966 B11R1.83 CNCc1ccc(cc1)C=O 34a_100102657272_100009816848 [0,1,0,0,0,0|1,0,2]=4 1967 B11R1.83 CNCc1ccc(cc1)C=O 7a_106832991635_100009816848 [0,1,0,0,0,0|1,0,2]=4 1968 B11R1.83 CNCc1ccc(cc1)CO 207a_100102657272_100009832023 [0,1,0,0,0,0|1,0,1]=3 1969 B11R1.83 CNCc1ccc(cc1)CO 2230a_100015189231_200000210301 [0,1,0,0,0,0|1,0,1]=3 1970 B11R1.83 CNCc1ccc(cc1)CO 2230a_106832991635_100000067286 [0,1,0,0,0,0|1,0,1]=3 1971 B11R1.83 CNCc1ccc(cc1)CO 26a_100102657272_100000211755 [0,1,0,0,0,0|1,0,1]=3 1972 B11R1.83 CNCc1ccc(cc1)CO 270004a_106832991635_100009832023 [0,1,0,0,0,0|1,0,1]=3 1973 B11R1.83 CNCc1ccc(cc1)CO 34a_100015189231_200000210301 [0,1,0,0,0,0|1,0,1]=3 1974 B11R1.83 CNCc1ccc(cc1)CO 34a_100102657272_100000067286 [0,1,0,0,0,0|1,0,1]=3 1975 B11R1.83 CNCc1ccc(cc1)CO 7a_106832991635_100000067286 [0,1,0,0,0,0|1,0,1]=3 1976 B11R1.83 CNCc1ccc(cc1)OC 207a_100102657272_100000169835 [0,1,0,0,0,0|1,0,1]=3 1977 B11R1.83 CNCc1ccc(cc1)OC 2230a_106832991635_100000742318 [0,1,0,0,0,0|1,0,1]=3 1978 B11R1.83 CNCc1ccc(cc1)OC 26a_100102657272_100000210503 [0,1,0,0,0,0|1,0,1]=3 1979 B11R1.83 CNCc1ccc(cc1)OC 270004a_106832991635_100000169835 [0,1,0,0,0,0|1,0,1]=3 1980 B11R1.83 CNCc1ccc(cc1)OC 34a_100000185587_200000210301 [0,1,0,0,0,0|1,0,1]=3 1981 B11R1.83 CNCc1ccc(cc1)OC 34a_100000207500_200000210301 [0,1,0,0,0,0|1,0,1]=3 1982 B11R1.83 CNCc1ccc(cc1)OC 34a_100102657272_100000742318 [0,1,0,0,0,0|1,0,1]=3 1983 B11R1.83 CNCc1ccc(cc1)OC 7a_106832991635_100000742318 [0,1,0,0,0,0|1,0,1]=3 1984 B11R1.83 CNCc1ccc(cc1)O[13CH3] 34a_100000207500_200025704644 [0,1,0,0,0,0|1,0,1]=3 1985 B11R1.83 CNCc1ccc(cc1)SC 207a_100102657272_100000211154 [0,1,0,0,0,0|1,1,1]=4 1986 B11R1.83 CNCc1ccc(cc1)SC 2230a_100000174980_200000210301 [0,1,0,0,0,0|1,1,1]=4 1987 B11R1.83 CNCc1ccc(cc1)SC 2230a_106832991635_100000181263 [0,1,0,0,0,0|1,1,1]=4 1988 B11R1.83 CNCc1ccc(cc1)SC 26a_100102657272_100000211864 [0,1,0,0,0,0|1,1,1]=4 1989 B11R1.83 CNCc1ccc(cc1)SC 270004a_106832991635_100000211154 [0,1,0,0,0,0|1,1,1]=4 1990 B11R1.83 CNCc1ccc(cc1)SC 34a_100000174980_200000210301 [0,1,0,0,0,0|1,1,1]=4 1991 B11R1.83 CNCc1ccc(cc1)SC 34a_100102657272_100000181263 [0,1,0,0,0,0|1,1,1]=4 1992 B11R1.83 CNCc1ccc(cc1)SC 62a_100000180866_200000210301 [0,1,0,0,0,0|1,1,1]=4 1993 B11R1.83 CNCc1ccc(cc1)SC 62a_200000210301_100000180866 [0,1,0,0,0,0|1,1,1]=4 1994 B11R1.83 CNCc1ccc(cc1)SC 7a_106832991635_100000181263 [0,1,0,0,0,0|1,1,1]=4 1995 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_100000180866_200025704644 [0,1,0,0,0,0|1,1,1]=4 1996 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000180866 [0,1,0,0,0,0|1,1,1]=4 1997 B11R1.83 CNCc1ccc(cn1)OC 207a_100102657272_100000701244 [0,1,0,0,0,0|2,0,1]=4 1998 B11R1.83 CNCc1ccc(cn1)OC 2230a_106832991635_200000757186 [0,1,0,0,0,0|2,0,1]=4 1999 B11R1.83 CNCc1ccc(cn1)OC 270004a_106832991635_100000701244 [0,1,0,0,0,0|2,0,1]=4 2000 B11R1.83 CNCc1ccc(cn1)OC 34a_100000703904_200000210301 [0,1,0,0,0,0|2,0,1]=4 2001 B11R1.83 CNCc1ccc(cn1)OC 34a_100102657272_200000757186 [0,1,0,0,0,0|2,0,1]=4 2002 B11R1.83 CNCc1ccc(cn1)OC 7a_106832991635_200000757186 [0,1,0,0,0,0|2,0,1]=4 2003 B11R1.83 CNCc1ccc(nc1)OC 207a_100102657272_100000761633 [0,1,0,0,0,0|2,0,1]=4 2004 B11R1.83 CNCc1ccc(nc1)OC 2230a_100000241975_200000210301 [0,1,0,0,0,0|2,0,1]=4 2005 B11R1.83 CNCc1ccc(nc1)OC 2230a_106832991635_100020631284 [0,1,0,0,0,0|2,0,1]=4 2006 B11R1.83 CNCc1ccc(nc1)OC 270004a_106832991635_100000761633 [0,1,0,0,0,0|2,0,1]=4 2007 B11R1.83 CNCc1ccc(nc1)OC 34a_100102657272_100020631284 [0,1,0,0,0,0|2,0,1]=4 2008 B11R1.83 CNCc1ccc(nc1)OC 7a_106832991635_100020631284 [0,1,0,0,0,0|2,0,1]=4 2009 B11R1.83 CNc1ccc(cc1)CC#N 34a_100000198999_200000210301 [0,1,0,0,0,0|2,0,1]=4 2010 B11R1.83 CNc1ccc(cc1)CCO 2230a_100011204434_200000210301 [0,1,0,0,0,0|2,0,1]=4 2011 B11R1.83 CNc1ccc(cc1)CCO 34a_100011204434_200000210301 [0,1,0,0,0,0|2,0,1]=4 2012 B11R1.83 CNc1ccc(cc1)COC 34a_100000694113_200000210301 [0,1,0,0,0,0|2,0,1]=4 2013 B11R1.83 CNc1ccc(cc1)CSC 2230a_106726388226_200000210301 [0,1,0,0,0,0|2,0,1]=4 2014 B11R1.83 CNc1ccc(cc1)CSC 34a_106726388226_200000210301 [0,1,0,0,0,0|2,0,1]=4 2015 B11R1.83 CNc1ccc(cc1)CSC 7a_106726388226_200000210301 [0,1,0,0,0,0|2,0,1]=4 2016 B11R1.83 COCc1ccc(cc1)C#N 34a_100000238739_200000210301 [0,1,0,0,0,0|2,0,1]=4 2017 B11R1.83 COCc1ccc(cc1)C#N 34a_100138415774_100000184898 [0,1,0,0,0,0|2,0,1]=4 2018 B11R1.83 COCc1ccc(cc1)C#N 7a_100000238739_200000210301 [0,1,0,0,0,0|2,0,1]=4 2019 B11R1.83 COCc1ccc(cc1)C=O 34a_100138415774_100009816848 [0,1,0,0,0,0|1,0,2]=4 2020 B11R1.83 COCc1ccc(cc1)CBr 34a_100012353999_200000210301 [0,1,0,0,0,0|2,0,1]=4 2021 B11R1.83 COCc1ccc(cc1)CBr 7a_100012353999_200000210301 [0,1,0,0,0,0|2,0,1]=4 2022 B11R1.83 COCc1ccc(cc1)CCl 34a_100000067286_200000210301 [0,1,0,0,0,0|2,0,1]=4 2023 B11R1.83 COCc1ccc(cc1)CCl 7a_100000067286_200000210301 [0,1,0,0,0,0|2,0,1]=4 2024 B11R1.83 COCc1ccc(cc1)CN 34a_100015189231_200000210301 [0,1,0,0,0,0|2,0,1]=4 2025 B11R1.83 COCc1ccc(cc1)CO 34a_100138415774_100000067286 [0,1,0,0,0,0|1,0,1]=3 2026 B11R1.83 COCc1ccc(cc1)N[13CH3] 34a_100000694113_200025704644 [0,1,0,0,0,0|2,0,1]=4 2027 B11R1.83 COCc1ccc(cc1)OC 34a_100000173359_200000210301 [0,1,0,0,0,0|1,0,1]=3 2028 B11R1.83 COCc1ccc(cc1)OC 34a_100138415774_100000742318 [0,1,0,0,0,0|1,0,1]=3 2029 B11R1.83 COCc1ccc(cc1)OC 34a_200011995677_200000210301 [0,1,0,0,0,0|1,0,1]=3 2030 B11R1.83 COCc1ccc(cc1)OC 7a_200011995677_200000210301 [0,1,0,0,0,0|1,0,1]=3 2031 B11R1.83 COCc1ccc(cc1)O[13CH3] 34a_200011995677_200025704644 [0,1,0,0,0,0|1,0,1]=3 2032 B11R1.83 COCc1ccc(cc1)O[13CH3] 7a_200011995677_200025704644 [0,1,0,0,0,0|1,0,1]=3 2033 B11R1.83 COCc1ccc(cc1)SC 34a_100011215404_200000210301 [0,1,0,0,0,0|1,1,1]=4 2034 B11R1.83 COCc1ccc(cc1)SC 34a_100138415774_100000181263 [0,1,0,0,0,0|1,1,1]=4 2035 B11R1.83 COCc1ccc(cc1)SC 62a_100011493685_200000210301 [0,1,0,0,0,0|1,1,1]=4 2036 B11R1.83 COCc1ccc(cc1)SC 62a_200000210301_100011493685 [0,1,0,0,0,0|1,1,1]=4 2037 B11R1.83 COCc1ccc(cc1)SC 7a_100011215404_200000210301 [0,1,0,0,0,0|1,1,1]=4 2038 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_100011493685_200025704644 [0,1,0,0,0,0|1,1,1]=4 2039 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_200025704644_100011493685 [0,1,0,0,0,0|1,1,1]=4 2040 B11R1.83 COCc1ccc(cn1)OC 34a_100011998694_200000210301 [0,1,0,0,0,0|2,0,1]=4 2041 B11R1.83 COCc1ccc(cn1)OC 34a_100138415774_200000757186 [0,1,0,0,0,0|2,0,1]=4 2042 B11R1.83 COCc1ccc(nc1)OC 34a_100000763316_200000210301 [0,1,0,0,0,0|2,0,1]=4 2043 B11R1.83 COCc1ccc(nc1)OC 34a_100138415774_100020631284 [0,1,0,0,0,0|2,0,1]=4 2044 B11R1.83 COc1ccc(cc1)CC#N 34a_100000198970_200000210301 [0,1,0,0,0,0|1,0,1]=3 2045 B11R1.83 COc1ccc(cc1)CC#N 7a_100000198970_200000210301 [0,1,0,0,0,0|1,0,1]=3 2046 B11R1.83 COc1ccc(cc1)CCBr 34a_100009816426_200000210301 [0,1,0,0,0,0|1,0,1]=3 2047 B11R1.83 COc1ccc(cc1)CCBr 7a_100009816426_200000210301 [0,1,0,0,0,0|1,0,1]=3 2048 B11R1.83 COc1ccc(cc1)CCN 34a_100000743037_200000210301 [0,1,0,0,0,0|1,0,1]=3 2049 B11R1.83 COc1ccc(cc1)CCO 34a_100011215338_200000210301 [0,1,0,0,0,0|1,0,1]=3 2050 B11R1.83 COc1ccc(cc1)CCO 7a_100011215338_200000210301 [0,1,0,0,0,0|1,0,1]=3 2051 B11R1.83 COc1ccc(cc1)CN[13CH3] 34a_100000185587_200025704644 [0,1,0,0,0,0|1,0,1]=3 2052 B11R1.83 COc1ccc(cc1)CO[13CH3] 34a_100000173359_200025704644 [0,1,0,0,0,0|1,0,1]=3 2053 B11R1.83 COc1ccc(cc1)CSC 62a_200000210301_100000742318 [0,1,0,0,0,0|1,0,1]=3 2054 B11R1.83 COc1ccc(cc1)CS[13CH3] 62a_200025704644_100000742318 [0,1,0,0,0,0|1,0,1]=3 2055 B11R1.83 COc1ccc(cc1)NCF 34a_100000184247_100015361967 [0,1,0,0,0,0|2,0,1]=4 2056 B11R1.83 COc1ccc(cc1)OCF 34a_100000210503_100015361967 [0,1,0,0,0,0|2,0,1]=4 2057 B11R1.83 COc1ccc(cc1)SCF 62a_100015361967_100000171711 [0,1,0,0,0,0|2,0,1]=4 2058 B11R1.83 COc1ccc(cn1)CN[13CH3] 2230a_100000241975_200025704644 [0,1,0,0,0,0|2,0,1]=4 2059 B11R1.83 COc1ccc(cn1)CO[13CH3] 34a_100000763316_200025704644 [0,1,0,0,0,0|2,0,1]=4 2060 B11R1.83 COc1ccc(cn1)CSC 62a_100020631284_200000210301 [0,1,0,0,0,0|2,0,1]=4 2061 B11R1.83 COc1ccc(cn1)CSC 62a_200000210301_100020631284 [0,1,0,0,0,0|2,0,1]=4 2062 B11R1.83 COc1ccc(cn1)CS[13CH3] 62a_100020631284_200025704644 [0,1,0,0,0,0|2,0,1]=4 2063 B11R1.83 COc1ccc(cn1)CS[13CH3] 62a_200025704644_100020631284 [0,1,0,0,0,0|2,0,1]=4 2064 B11R1.83 COc1ccc(nc1)CN[13CH3] 34a_100000703904_200025704644 [0,1,0,0,0,0|2,0,1]=4 2065 B11R1.83 COc1ccc(nc1)CO[13CH3] 34a_100011998694_200025704644 [0,1,0,0,0,0|2,0,1]=4 2066 B11R1.83 COc1ccc(nc1)CSC 62a_200000210301_200000757186 [0,1,0,0,0,0|2,0,1]=4 2067 B11R1.83 COc1ccc(nc1)CSC 62a_200000757186_200000210301 [0,1,0,0,0,0|2,0,1]=4 2068 B11R1.83 COc1ccc(nc1)CS[13CH3] 62a_200000757186_200025704644 [0,1,0,0,0,0|2,0,1]=4 2069 B11R1.83 COc1ccc(nc1)CS[13CH3] 62a_200025704644_200000757186 [0,1,0,0,0,0|2,0,1]=4 2070 B11R1.83 CSCc1ccc(cc1)C#N 62a_200000210301_100000184898 [0,1,0,0,0,0|2,0,1]=4 2071 B11R1.83 CSCc1ccc(cc1)C=O 62a_100009816848_200000210301 [0,1,0,0,0,0|1,0,2]=4 2072 B11R1.83 CSCc1ccc(cc1)C=O 62a_200000210301_100009816848 [0,1,0,0,0,0|1,0,2]=4 2073 B11R1.83 CSCc1ccc(cc1)CO 62a_100000067286_200000210301 [0,1,0,0,0,0|1,0,1]=3 2074 B11R1.83 CSCc1ccc(cc1)CO 62a_200000210301_100000067286 [0,1,0,0,0,0|1,0,1]=3 2075 B11R1.83 CSCc1ccc(cc1)N[13CH3] 2230a_106726388226_200025704644 [0,1,0,0,0,0|2,0,1]=4 2076 B11R1.83 CSCc1ccc(cc1)N[13CH3] 34a_106726388226_200025704644 [0,1,0,0,0,0|2,0,1]=4 2077 B11R1.83 CSCc1ccc(cc1)N[13CH3] 7a_106726388226_200025704644 [0,1,0,0,0,0|2,0,1]=4 2078 B11R1.83 CSCc1ccc(cc1)SC 62a_100000181263_200000210301 [0,1,0,0,0,0|1,1,1]=4 2079 B11R1.83 CSCc1ccc(cc1)SC 62a_200000210301_100000181263 [0,1,0,0,0,0|1,1,1]=4 2080 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200000210301_200016255901 [0,1,0,0,0,0|1,1,1]=4 2081 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200016255901_200000210301 [0,1,0,0,0,0|1,1,1]=4 2082 B11R1.83 CSc1ccc(cc1)CC#N 62a_100011217881_200000210301 [0,1,0,0,0,0|1,1,1]=4 2083 B11R1.83 CSc1ccc(cc1)CC#N 62a_200000210301_100011217881 [0,1,0,0,0,0|1,1,1]=4 2084 B11R1.83 CSc1ccc(cc1)CC=O 62a_100011361690_200000210301 [0,1,0,0,0,0|1,1,0]=3 2085 B11R1.83 CSc1ccc(cc1)CC=O 62a_200000210301_100011361690 [0,1,0,0,0,0|1,1,0]=3 2086 B11R1.83 CSc1ccc(cc1)CCN 62a_100000755846_200000210301 [0,1,0,0,0,0|1,1,1]=4 2087 B11R1.83 CSc1ccc(cc1)CCN 62a_200000210301_100000755846 [0,1,0,0,0,0|1,1,1]=4 2088 B11R1.83 CSc1ccc(cc1)CCO 62a_100000766406_200000210301 [0,1,0,0,0,0|1,1,1]=4 2089 B11R1.83 CSc1ccc(cc1)CCO 62a_200000210301_100000766406 [0,1,0,0,0,0|1,1,1]=4 2090 B11R1.83 CSc1ccc(cc1)CNN 62a_100016993955_200000210301 [0,1,0,0,0,0|2,1,0]=4 2091 B11R1.83 CSc1ccc(cc1)CNN 62a_200000210301_100016993955 [0,1,0,0,0,0|2,1,0]=4 2092 B11R1.83 CSc1ccc(cc1)CN[13CH3] 2230a_100000174980_200025704644 [0,1,0,0,0,0|1,1,1]=4 2093 B11R1.83 CSc1ccc(cc1)CN[13CH3] 34a_100000174980_200025704644 [0,1,0,0,0,0|1,1,1]=4 2094 B11R1.83 CSc1ccc(cc1)CO[13CH3] 34a_100011215404_200025704644 [0,1,0,0,0,0|1,1,1]=4 2095 B11R1.83 CSc1ccc(cc1)CO[13CH3] 7a_100011215404_200025704644 [0,1,0,0,0,0|1,1,1]=4 2096 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_100000181263_200025704644 [0,1,0,0,0,0|1,1,1]=4 2097 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_200025704644_100000181263 [0,1,0,0,0,0|1,1,1]=4 2098 B11R1.83 OCc1ccc(cc1)NCF 34a_100011215238_100015361967 [0,1,0,0,0,0|2,0,1]=4 2099 B11R1.83 OCc1ccc(cc1)OCF 34a_100000211755_100015361967 [0,1,0,0,0,0|2,0,1]=4 2100 B11R1.83 OCc1ccc(cc1)SCF 62a_100000690907_100015361967 [0,1,0,0,0,0|2,0,1]=4 2101 B11R1.83 OCc1ccc(cc1)SCF 62a_100015361967_100000690907 [0,1,0,0,0,0|2,0,1]=4 2102 B11R1.83 [13CH3]NCc1ccc(cc1)C#N 34a_100015207190_200025704644 [0,1,0,0,0,0|2,0,1]=4 2103 B11R1.83 [13CH3]NCc1ccc(cc1)CO 2230a_100015189231_200025704644 [0,1,0,0,0,0|1,0,1]=3 2104 B11R1.83 [13CH3]NCc1ccc(cc1)CO 34a_100015189231_200025704644 [0,1,0,0,0,0|1,0,1]=3 2105 B11R1.83 [13CH3]Nc1ccc(cc1)CC#N 34a_100000198999_200025704644 [0,1,0,0,0,0|2,0,1]=4 2106 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 2230a_100011204434_200025704644 [0,1,0,0,0,0|2,0,1]=4 2107 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 34a_100011204434_200025704644 [0,1,0,0,0,0|2,0,1]=4 2108 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 34a_100000238739_200025704644 [0,1,0,0,0,0|2,0,1]=4 2109 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 7a_100000238739_200025704644 [0,1,0,0,0,0|2,0,1]=4 2110 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 34a_100012353999_200025704644 [0,1,0,0,0,0|2,0,1]=4 2111 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 7a_100012353999_200025704644 [0,1,0,0,0,0|2,0,1]=4 2112 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 34a_100000067286_200025704644 [0,1,0,0,0,0|2,0,1]=4 2113 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 7a_100000067286_200025704644 [0,1,0,0,0,0|2,0,1]=4 2114 B11R1.83 [13CH3]OCc1ccc(cc1)CN 34a_100015189231_200025704644 [0,1,0,0,0,0|2,0,1]=4 2115 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 34a_100000198970_200025704644 [0,1,0,0,0,0|1,0,1]=3 2116 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 7a_100000198970_200025704644 [0,1,0,0,0,0|1,0,1]=3 2117 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 34a_100009816426_200025704644 [0,1,0,0,0,0|1,0,1]=3 2118 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 7a_100009816426_200025704644 [0,1,0,0,0,0|1,0,1]=3 2119 B11R1.83 [13CH3]Oc1ccc(cc1)CCN 34a_100000743037_200025704644 [0,1,0,0,0,0|1,0,1]=3 2120 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 34a_100011215338_200025704644 [0,1,0,0,0,0|1,0,1]=3 2121 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 7a_100011215338_200025704644 [0,1,0,0,0,0|1,0,1]=3 2122 B11R1.83 [13CH3]SCc1ccc(cc1)C#N 62a_200025704644_100000184898 [0,1,0,0,0,0|2,0,1]=4 2123 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_100009816848_200025704644 [0,1,0,0,0,0|1,0,2]=4 2124 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_200025704644_100009816848 [0,1,0,0,0,0|1,0,2]=4 2125 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_100000067286_200025704644 [0,1,0,0,0,0|1,0,1]=3 2126 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_200025704644_100000067286 [0,1,0,0,0,0|1,0,1]=3 2127 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200016255901_200025704644 [0,1,0,0,0,0|1,1,1]=4 2128 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200025704644_200016255901 [0,1,0,0,0,0|1,1,1]=4 2129 B11R1.83 [13CH3]Sc1ccc(cc1)CC#N 62a_100011217881_200025704644 [0,1,0,0,0,0|1,1,1]=4 2130 B11R1.83 [13CH3]Sc1ccc(cc1)CC#N 62a_200025704644_100011217881 [0,1,0,0,0,0|1,1,1]=4 2131 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_100011361690_200025704644 [0,1,0,0,0,0|1,1,0]=3 2132 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_200025704644_100011361690 [0,1,0,0,0,0|1,1,0]=3 2133 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_100000755846_200025704644 [0,1,0,0,0,0|1,1,1]=4 2134 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_200025704644_100000755846 [0,1,0,0,0,0|1,1,1]=4 2135 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_100000766406_200025704644 [0,1,0,0,0,0|1,1,1]=4 2136 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_200025704644_100000766406 [0,1,0,0,0,0|1,1,1]=4 2137 B11R1.83 [13CH3]Sc1ccc(cc1)CNN 62a_100016993955_200025704644 [0,1,0,0,0,0|2,1,0]=4 2138 B11R1.83 [13CH3]Sc1ccc(cc1)CNN 62a_200025704644_100016993955 [0,1,0,0,0,0|2,1,0]=4 2139 B11R1.192 C=C=Cc1cc(c(cn1)O)C 271570a_100015277604_100000692680 [0,1,0,0,0,0|1,0,2]=4 2140 B11R1.192 C=C=Cc1cc(c(cn1)O)N 271570a_100015277604_100009819941 [0,1,0,0,0,0|1,0,2]=4 2141 B11R1.192 C=C=Cc1ccc(c(c1)Br)Br 271570a_100015277604_100012356285 [0,1,0,0,0,0|1,0,2]=4 2142 B11R1.192 C=C=Cc1ccc(c(c1)Br)C 271570a_100015277604_100011847877 [0,1,0,0,0,0|1,0,2]=4 2143 B11R1.192 C=C=Cc1ccc(c(c1)Br)Cl 271570a_100015277604_100012353702 [0,1,0,0,0,0|1,0,2]=4 2144 B11R1.192 C=C=Cc1ccc(c(c1)Br)F 271570a_100015277604_100012047266 [0,1,0,0,0,0|1,0,2]=4 2145 B11R1.192 C=C=Cc1ccc(c(c1)Br)N 271570a_100015277604_100000750455 [0,1,0,0,0,0|1,0,2]=4 2146 B11R1.192 C=C=Cc1ccc(c(c1)Br)O 271570a_100015277604_100012361655 [0,1,0,0,0,0|0,0,2]=3 2147 B11R1.192 C=C=Cc1ccc(c(c1)C)Br 271570a_100015277604_100009813585 [0,1,0,0,0,0|1,0,2]=4 2148 B11R1.192 C=C=Cc1ccc(c(c1)C)C 271570a_100015277604_100011215607 [0,1,0,0,0,0|1,0,2]=4 2149 B11R1.192 C=C=Cc1ccc(c(c1)C)Cl 271570a_100015277604_100000049509 [0,1,0,0,0,0|1,0,2]=4 2150 B11R1.192 C=C=Cc1ccc(c(c1)C)F 271570a_100015277604_100011218330 [0,1,0,0,0,0|1,0,2]=4 2151 B11R1.192 C=C=Cc1ccc(c(c1)C)N 271570a_100015277604_100000211769 [0,1,0,0,0,0|1,0,2]=4 2152 B11R1.192 C=C=Cc1ccc(c(c1)C)O 271570a_100015277604_100000186361 [0,1,0,0,0,0|0,0,2]=3 2153 B11R1.192 C=C=Cc1ccc(c(c1)Cl)Br 271570a_100015277604_100012047281 [0,1,0,0,0,0|1,0,2]=4 2154 B11R1.192 C=C=Cc1ccc(c(c1)Cl)C 271570a_100015277604_100011216363 [0,1,0,0,0,0|1,0,2]=4 2155 B11R1.192 C=C=Cc1ccc(c(c1)Cl)Cl 271570a_100015277604_100011214914 [0,1,0,0,0,0|1,0,2]=4 2156 B11R1.192 C=C=Cc1ccc(c(c1)Cl)F 271570a_100015277604_100011215976 [0,1,0,0,0,0|1,0,2]=4 2157 B11R1.192 C=C=Cc1ccc(c(c1)Cl)N 271570a_100015277604_100011218065 [0,1,0,0,0,0|1,0,2]=4 2158 B11R1.192 C=C=Cc1ccc(c(c1)Cl)O 271570a_100015277604_100012360047 [0,1,0,0,0,0|0,0,2]=3 2159 B11R1.192 C=C=Cc1ccc(c(c1)F)Br 271570a_100015277604_100000685389 [0,1,0,0,0,0|1,0,2]=4 2160 B11R1.192 C=C=Cc1ccc(c(c1)F)C 271570a_100015277604_100000720648 [0,1,0,0,0,0|1,0,2]=4 2161 B11R1.192 C=C=Cc1ccc(c(c1)F)Cl 271570a_100015277604_100011216805 [0,1,0,0,0,0|1,0,2]=4 2162 B11R1.192 C=C=Cc1ccc(c(c1)F)F 271570a_100015277604_100000750028 [0,1,0,0,0,0|1,0,2]=4 2163 B11R1.192 C=C=Cc1ccc(c(c1)F)N 271570a_100015277604_100011215594 [0,1,0,0,0,0|1,0,2]=4 2164 B11R1.192 C=C=Cc1ccc(c(c1)F)O 271570a_100015277604_100000185481 [0,1,0,0,0,0|0,0,2]=3 2165 B11R1.192 C=C=Cc1ccc(c(c1)N)Br 271570a_100015277604_100000750456 [0,1,0,0,0,0|1,0,2]=4 2166 B11R1.192 C=C=Cc1ccc(c(c1)N)C 271570a_100015277604_100000761890 [0,1,0,0,0,0|1,0,2]=4 2167 B11R1.192 C=C=Cc1ccc(c(c1)N)Cl 271570a_100015277604_200000761891 [0,1,0,0,0,0|1,0,2]=4 2168 B11R1.192 C=C=Cc1ccc(c(c1)N)F 271570a_100015277604_100000740924 [0,1,0,0,0,0|1,0,2]=4 2169 B11R1.192 C=C=Cc1ccc(c(c1)N)N 271570a_100015277604_100000741789 [0,1,0,0,0,0|1,0,2]=4 2170 B11R1.192 C=C=Cc1ccc(c(c1)N)O 271570a_100015277604_100000752626 [0,1,0,0,0,0|0,0,2]=3 2171 B11R1.192 C=C=Cc1ccc(c(c1)O)Br 271570a_100015277604_100012356990 [0,1,0,0,0,0|1,0,2]=4 2172 B11R1.192 C=C=Cc1ccc(c(c1)O)C 271570a_100015277604_100000766334 [0,1,0,0,0,0|1,0,2]=4 2173 B11R1.192 C=C=Cc1ccc(c(c1)O)Cl 271570a_100015277604_100011356854 [0,1,0,0,0,0|1,0,2]=4 2174 B11R1.192 C=C=Cc1ccc(c(c1)O)F 271570a_100015277604_100000686035 [0,1,0,0,0,0|1,0,2]=4 2175 B11R1.192 C=C=Cc1ccc(c(c1)O)N 271570a_100015277604_100000739049 [0,1,0,0,0,0|1,0,2]=4 2176 B11R1.192 C=C=Cc1ccc(c(c1)O)O 271570a_100015277604_100009813601 [0,1,0,0,0,0|0,0,2]=3 2177 B11R1.192 C=C=Cc1ccc(c(n1)Br)O 271570a_100015277604_100000725334 [0,1,0,0,0,0|1,0,2]=4 2178 B11R1.192 C=C=Cc1ccc(c(n1)C)O 271570a_100015277604_100010233687 [0,1,0,0,0,0|1,0,2]=4 2179 B11R1.192 C=C=Cc1ccc(c(n1)Cl)O 271570a_100015277604_100000721234 [0,1,0,0,0,0|1,0,2]=4 2180 B11R1.192 C=C=Cc1ccc(c(n1)F)O 271570a_100015277604_100009819667 [0,1,0,0,0,0|1,0,2]=4 2181 B11R1.192 C=C=Cc1ccc(c(n1)N)O 271570a_100015277604_100000685527 [0,1,0,0,0,0|1,0,2]=4 2182 B11R1.192 C=C=Cc1cnc(c(c1)C)O 271570a_100015277604_100000685391 [0,1,0,0,0,0|1,0,2]=4 2183 B11R1.192 C=C=Cc1cnc(c(c1)Cl)O 271570a_100015277604_100010238531 [0,1,0,0,0,0|1,0,2]=4 2184 B11R1.192 C=C=Cc1cnc(c(c1)N)O 271570a_100015277604_100000743729 [0,1,0,0,0,0|1,0,2]=4 2185 B11R1.192 CC=Cc1cc(c(cn1)O)C 271570a_100016259895_100000692680 [0,1,0,0,0,0|1,0,2]=4 2186 B11R1.192 CC=Cc1cc(c(cn1)O)N 271570a_100016259895_100009819941 [0,1,0,0,0,0|1,0,2]=4 2187 B11R1.192 CC=Cc1ccc(c(c1)Br)Br 271570a_100016259895_100012356285 [0,1,0,0,0,0|1,0,2]=4 2188 B11R1.192 CC=Cc1ccc(c(c1)Br)C 271570a_100016259895_100011847877 [0,1,0,0,0,0|1,0,2]=4 2189 B11R1.192 CC=Cc1ccc(c(c1)Br)Cl 271570a_100016259895_100012353702 [0,1,0,0,0,0|1,0,2]=4 2190 B11R1.192 CC=Cc1ccc(c(c1)Br)F 271570a_100016259895_100012047266 [0,1,0,0,0,0|1,0,2]=4 2191 B11R1.192 CC=Cc1ccc(c(c1)Br)N 271570a_100016259895_100000750455 [0,1,0,0,0,0|1,0,2]=4 2192 B11R1.192 CC=Cc1ccc(c(c1)Br)O 271570a_100016259895_100012361655 [0,1,0,0,0,0|0,0,2]=3 2193 B11R1.192 CC=Cc1ccc(c(c1)C)Br 271570a_100016259895_100009813585 [0,1,0,0,0,0|1,0,2]=4 2194 B11R1.192 CC=Cc1ccc(c(c1)C)C 271570a_100016259895_100011215607 [0,1,0,0,0,0|1,0,2]=4 2195 B11R1.192 CC=Cc1ccc(c(c1)C)Cl 271570a_100016259895_100000049509 [0,1,0,0,0,0|1,0,2]=4 2196 B11R1.192 CC=Cc1ccc(c(c1)C)F 271570a_100016259895_100011218330 [0,1,0,0,0,0|1,0,2]=4 2197 B11R1.192 CC=Cc1ccc(c(c1)C)N 271570a_100016259895_100000211769 [0,1,0,0,0,0|1,0,2]=4 2198 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [0,1,0,0,0,0|0,0,2]=3 2199 B11R1.192 CC=Cc1ccc(c(c1)Cl)Br 271570a_100016259895_100012047281 [0,1,0,0,0,0|1,0,2]=4 2200 B11R1.192 CC=Cc1ccc(c(c1)Cl)C 271570a_100016259895_100011216363 [0,1,0,0,0,0|1,0,2]=4 2201 B11R1.192 CC=Cc1ccc(c(c1)Cl)Cl 271570a_100016259895_100011214914 [0,1,0,0,0,0|1,0,2]=4 2202 B11R1.192 CC=Cc1ccc(c(c1)Cl)F 271570a_100016259895_100011215976 [0,1,0,0,0,0|1,0,2]=4 2203 B11R1.192 CC=Cc1ccc(c(c1)Cl)N 271570a_100016259895_100011218065 [0,1,0,0,0,0|1,0,2]=4 2204 B11R1.192 CC=Cc1ccc(c(c1)Cl)O 271570a_100016259895_100012360047 [0,1,0,0,0,0|0,0,2]=3 2205 B11R1.192 CC=Cc1ccc(c(c1)F)Br 271570a_100016259895_100000685389 [0,1,0,0,0,0|1,0,2]=4 2206 B11R1.192 CC=Cc1ccc(c(c1)F)C 271570a_100016259895_100000720648 [0,1,0,0,0,0|1,0,2]=4 2207 B11R1.192 CC=Cc1ccc(c(c1)F)Cl 271570a_100016259895_100011216805 [0,1,0,0,0,0|1,0,2]=4 2208 B11R1.192 CC=Cc1ccc(c(c1)F)F 271570a_100016259895_100000750028 [0,1,0,0,0,0|1,0,2]=4 2209 B11R1.192 CC=Cc1ccc(c(c1)F)N 271570a_100016259895_100011215594 [0,1,0,0,0,0|1,0,2]=4 2210 B11R1.192 CC=Cc1ccc(c(c1)F)O 271570a_100016259895_100000185481 [0,1,0,0,0,0|0,0,2]=3 2211 B11R1.192 CC=Cc1ccc(c(c1)N)Br 271570a_100016259895_100000750456 [0,1,0,0,0,0|1,0,2]=4 2212 B11R1.192 CC=Cc1ccc(c(c1)N)C 271570a_100016259895_100000761890 [0,1,0,0,0,0|1,0,2]=4 2213 B11R1.192 CC=Cc1ccc(c(c1)N)Cl 271570a_100016259895_200000761891 [0,1,0,0,0,0|1,0,2]=4 2214 B11R1.192 CC=Cc1ccc(c(c1)N)F 271570a_100016259895_100000740924 [0,1,0,0,0,0|1,0,2]=4 2215 B11R1.192 CC=Cc1ccc(c(c1)N)N 271570a_100016259895_100000741789 [0,1,0,0,0,0|1,0,2]=4 2216 B11R1.192 CC=Cc1ccc(c(c1)N)O 271570a_100016259895_100000752626 [0,1,0,0,0,0|0,0,2]=3 2217 B11R1.192 CC=Cc1ccc(c(c1)O)Br 271570a_100016259895_100012356990 [0,1,0,0,0,0|1,0,2]=4 2218 B11R1.192 CC=Cc1ccc(c(c1)O)C 271570a_100016259895_100000766334 [0,1,0,0,0,0|1,0,2]=4 2219 B11R1.192 CC=Cc1ccc(c(c1)O)Cl 271570a_100016259895_100011356854 [0,1,0,0,0,0|1,0,2]=4 2220 B11R1.192 CC=Cc1ccc(c(c1)O)F 271570a_100016259895_100000686035 [0,1,0,0,0,0|1,0,2]=4 2221 B11R1.192 CC=Cc1ccc(c(c1)O)N 271570a_100016259895_100000739049 [0,1,0,0,0,0|1,0,2]=4 2222 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [0,1,0,0,0,0|0,0,2]=3 2223 B11R1.192 CC=Cc1ccc(c(n1)Br)O 271570a_100016259895_100000725334 [0,1,0,0,0,0|1,0,2]=4 2224 B11R1.192 CC=Cc1ccc(c(n1)C)O 271570a_100016259895_100010233687 [0,1,0,0,0,0|1,0,2]=4 2225 B11R1.192 CC=Cc1ccc(c(n1)Cl)O 271570a_100016259895_100000721234 [0,1,0,0,0,0|1,0,2]=4 2226 B11R1.192 CC=Cc1ccc(c(n1)F)O 271570a_100016259895_100009819667 [0,1,0,0,0,0|1,0,2]=4 2227 B11R1.192 CC=Cc1ccc(c(n1)N)O 271570a_100016259895_100000685527 [0,1,0,0,0,0|1,0,2]=4 2228 B11R1.192 CC=Cc1cnc(c(c1)C)O 271570a_100016259895_100000685391 [0,1,0,0,0,0|1,0,2]=4 2229 B11R1.192 CC=Cc1cnc(c(c1)Cl)O 271570a_100016259895_100010238531 [0,1,0,0,0,0|1,0,2]=4 2230 B11R1.192 CC=Cc1cnc(c(c1)N)O 271570a_100016259895_100000743729 [0,1,0,0,0,0|1,0,2]=4 2231 B11R1.192 CCCc1ccc(c(c1)F)O 271570a_203496583355_200010686677 [0,1,0,0,0,0|0,0,2]=3 2232 B11R1.192 CCNc1ccc(c(c1)Br)O 34a_100011534360_100000210202 [0,1,0,0,0,0|1,0,2]=4 2233 B11R1.192 CCNc1ccc(c(c1)C)O 271570a_203496583355_100015183089 [0,1,0,0,0,0|1,0,2]=4 2234 B11R1.192 CCNc1ccc(c(c1)C)O 34a_100011218179_100000210202 [0,1,0,0,0,0|1,0,2]=4 2235 B11R1.192 CCNc1ccc(c(c1)C)O 7a_100011218179_100000210202 [0,1,0,0,0,0|1,0,2]=4 2236 B11R1.192 CCNc1ccc(c(c1)Cl)O 34a_100000744943_100000210202 [0,1,0,0,0,0|1,0,2]=4 2237 B11R1.192 CCNc1ccc(c(c1)F)O 34a_100011220035_100000210202 [0,1,0,0,0,0|1,0,2]=4 2238 B11R1.192 CCNc1ccc(c(c1)F)O 7a_100011220035_100000210202 [0,1,0,0,0,0|1,0,2]=4 2239 B11R1.192 CCNc1ccc(c(c1)O)O 34a_100102946323_100000210202 [0,1,0,0,0,0|1,0,2]=4 2240 B11R1.192 CCOc1ccc(c(c1)C)O 271570a_203496583355_100012344538 [0,1,0,0,0,0|1,0,2]=4 2241 B11R1.192 CCOc1ccc(c(c1)F)O 271570a_203496583355_100000692347 [0,1,0,0,0,0|1,0,2]=4 2242 B11R1.192 CCSc1ccc(c(c1)Br)O 62a_100000210202_100012361655 [0,1,0,0,0,0|1,0,2]=4 2243 B11R1.192 CCSc1ccc(c(c1)Br)O 62a_100012361655_100000210202 [0,1,0,0,0,0|1,0,2]=4 2244 B11R1.192 CCSc1ccc(c(c1)C)O 62a_100000210202_100000186361 [0,1,0,0,0,0|1,0,2]=4 2245 B11R1.192 CCSc1ccc(c(c1)Cl)O 62a_100000210202_100012360047 [0,1,0,0,0,0|1,0,2]=4 2246 B11R1.192 CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210202 [0,1,0,0,0,0|1,0,2]=4 2247 B11R1.192 CCSc1ccc(c(c1)F)O 62a_100000185481_100000210202 [0,1,0,0,0,0|1,0,2]=4 2248 B11R1.192 CCSc1ccc(c(c1)F)O 62a_100000210202_100000185481 [0,1,0,0,0,0|1,0,2]=4 2249 B11R1.192 CCSc1ccc(c(c1)N)O 62a_100000210202_100000752626 [0,1,0,0,0,0|1,0,2]=4 2250 B11R1.192 CCSc1ccc(c(c1)N)O 62a_100000752626_100000210202 [0,1,0,0,0,0|1,0,2]=4 2251 B11R1.192 CCSc1ccc(c(c1)O)O 62a_100000210202_100009813601 [0,1,0,0,0,0|1,0,2]=4 2252 B11R1.192 CNCc1cc(=O)c(co1)O 2230a_106832991635_100000010605 [0,1,0,0,0,0|2,0,1]=4 2253 B11R1.192 CNCc1cc(=O)c(co1)O 7a_106832991635_100000010605 [0,1,0,0,0,0|2,0,1]=4 2254 B11R1.192 CNCc1ccc(c(c1)Br)Br 207a_100102657272_100011215943 [0,1,0,0,0,0|2,0,1]=4 2255 B11R1.192 CNCc1ccc(c(c1)Br)Br 2230a_100012351559_200000210301 [0,1,0,0,0,0|2,0,1]=4 2256 B11R1.192 CNCc1ccc(c(c1)Br)Br 2230a_106832991635_100012353900 [0,1,0,0,0,0|2,0,1]=4 2257 B11R1.192 CNCc1ccc(c(c1)Br)Br 270004a_106832991635_100011215943 [0,1,0,0,0,0|2,0,1]=4 2258 B11R1.192 CNCc1ccc(c(c1)Br)Br 34a_100012351559_200000210301 [0,1,0,0,0,0|2,0,1]=4 2259 B11R1.192 CNCc1ccc(c(c1)Br)Br 34a_100102657272_100012353900 [0,1,0,0,0,0|2,0,1]=4 2260 B11R1.192 CNCc1ccc(c(c1)Br)Br 7a_106832991635_100012353900 [0,1,0,0,0,0|2,0,1]=4 2261 B11R1.192 CNCc1ccc(c(c1)Br)C 207a_100102657272_100000695567 [0,1,0,0,0,0|2,0,1]=4 2262 B11R1.192 CNCc1ccc(c(c1)Br)C 2230a_106832991635_100012232412 [0,1,0,0,0,0|2,0,1]=4 2263 B11R1.192 CNCc1ccc(c(c1)Br)C 26a_100102657272_100011380479 [0,1,0,0,0,0|2,0,1]=4 2264 B11R1.192 CNCc1ccc(c(c1)Br)C 270004a_106832991635_100000695567 [0,1,0,0,0,0|2,0,1]=4 2265 B11R1.192 CNCc1ccc(c(c1)Br)C 34a_100102657272_100012232412 [0,1,0,0,0,0|2,0,1]=4 2266 B11R1.192 CNCc1ccc(c(c1)Br)C 7a_106832991635_100012232412 [0,1,0,0,0,0|2,0,1]=4 2267 B11R1.192 CNCc1ccc(c(c1)Br)Cl 207a_100102657272_100000693810 [0,1,0,0,0,0|2,0,1]=4 2268 B11R1.192 CNCc1ccc(c(c1)Br)Cl 2230a_100012349490_200000210301 [0,1,0,0,0,0|2,0,1]=4 2269 B11R1.192 CNCc1ccc(c(c1)Br)Cl 2230a_106832991635_100012353894 [0,1,0,0,0,0|2,0,1]=4 2270 B11R1.192 CNCc1ccc(c(c1)Br)Cl 26a_100102657272_100011933957 [0,1,0,0,0,0|2,0,1]=4 2271 B11R1.192 CNCc1ccc(c(c1)Br)Cl 270004a_106832991635_100000693810 [0,1,0,0,0,0|2,0,1]=4 2272 B11R1.192 CNCc1ccc(c(c1)Br)Cl 34a_100012349490_200000210301 [0,1,0,0,0,0|2,0,1]=4 2273 B11R1.192 CNCc1ccc(c(c1)Br)Cl 34a_100102657272_100012353894 [0,1,0,0,0,0|2,0,1]=4 2274 B11R1.192 CNCc1ccc(c(c1)Br)Cl 7a_106832991635_100012353894 [0,1,0,0,0,0|2,0,1]=4 2275 B11R1.192 CNCc1ccc(c(c1)Br)F 207a_100102657272_100000211747 [0,1,0,0,0,0|2,0,1]=4 2276 B11R1.192 CNCc1ccc(c(c1)Br)F 2230a_100015193890_200000210301 [0,1,0,0,0,0|2,0,1]=4 2277 B11R1.192 CNCc1ccc(c(c1)Br)F 2230a_106832991635_100011206884 [0,1,0,0,0,0|2,0,1]=4 2278 B11R1.192 CNCc1ccc(c(c1)Br)F 26a_100102657272_100000693481 [0,1,0,0,0,0|2,0,1]=4 2279 B11R1.192 CNCc1ccc(c(c1)Br)F 270004a_106832991635_100000211747 [0,1,0,0,0,0|2,0,1]=4 2280 B11R1.192 CNCc1ccc(c(c1)Br)F 34a_100015193890_200000210301 [0,1,0,0,0,0|2,0,1]=4 2281 B11R1.192 CNCc1ccc(c(c1)Br)F 34a_100102657272_100011206884 [0,1,0,0,0,0|2,0,1]=4 2282 B11R1.192 CNCc1ccc(c(c1)Br)F 7a_106832991635_100011206884 [0,1,0,0,0,0|2,0,1]=4 2283 B11R1.192 CNCc1ccc(c(c1)Br)I 26a_100102657272_100000701344 [0,1,0,0,0,0|2,0,1]=4 2284 B11R1.192 CNCc1ccc(c(c1)C)Br 207a_100102657272_100000765772 [0,1,0,0,0,0|2,0,1]=4 2285 B11R1.192 CNCc1ccc(c(c1)C)Br 2230a_100015205234_200000210301 [0,1,0,0,0,0|2,0,1]=4 2286 B11R1.192 CNCc1ccc(c(c1)C)Br 2230a_106832991635_100000727479 [0,1,0,0,0,0|2,0,1]=4 2287 B11R1.192 CNCc1ccc(c(c1)C)Br 26a_100102657272_100000690111 [0,1,0,0,0,0|2,0,1]=4 2288 B11R1.192 CNCc1ccc(c(c1)C)Br 270004a_106832991635_100000765772 [0,1,0,0,0,0|2,0,1]=4 2289 B11R1.192 CNCc1ccc(c(c1)C)Br 34a_100015205234_200000210301 [0,1,0,0,0,0|2,0,1]=4 2290 B11R1.192 CNCc1ccc(c(c1)C)Br 34a_100102657272_100000727479 [0,1,0,0,0,0|2,0,1]=4 2291 B11R1.192 CNCc1ccc(c(c1)C)Br 7a_106832991635_100000727479 [0,1,0,0,0,0|2,0,1]=4 2292 B11R1.192 CNCc1ccc(c(c1)C)C 207a_100102657272_100000229942 [0,1,0,0,0,0|2,0,1]=4 2293 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_100025706692_200000210301 [0,1,0,0,0,0|2,0,1]=4 2294 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_106832991635_100000742320 [0,1,0,0,0,0|2,0,1]=4 2295 B11R1.192 CNCc1ccc(c(c1)C)C 270004a_106832991635_100000229942 [0,1,0,0,0,0|2,0,1]=4 2296 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100025706692_200000210301 [0,1,0,0,0,0|2,0,1]=4 2297 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100102657272_100000742320 [0,1,0,0,0,0|2,0,1]=4 2298 B11R1.192 CNCc1ccc(c(c1)C)C 7a_106832991635_100000742320 [0,1,0,0,0,0|2,0,1]=4 2299 B11R1.192 CNCc1ccc(c(c1)C)Cl 207a_100102657272_100000698814 [0,1,0,0,0,0|2,0,1]=4 2300 B11R1.192 CNCc1ccc(c(c1)C)Cl 2230a_106832991635_100012184735 [0,1,0,0,0,0|2,0,1]=4 2301 B11R1.192 CNCc1ccc(c(c1)C)Cl 26a_100102657272_100000211092 [0,1,0,0,0,0|2,0,1]=4 2302 B11R1.192 CNCc1ccc(c(c1)C)Cl 270004a_106832991635_100000698814 [0,1,0,0,0,0|2,0,1]=4 2303 B11R1.192 CNCc1ccc(c(c1)C)Cl 34a_100102657272_100012184735 [0,1,0,0,0,0|2,0,1]=4 2304 B11R1.192 CNCc1ccc(c(c1)C)Cl 7a_106832991635_100012184735 [0,1,0,0,0,0|2,0,1]=4 2305 B11R1.192 CNCc1ccc(c(c1)C)F 207a_100102657272_100000748208 [0,1,0,0,0,0|2,0,1]=4 2306 B11R1.192 CNCc1ccc(c(c1)C)F 2230a_100000239911_200000210301 [0,1,0,0,0,0|2,0,1]=4 2307 B11R1.192 CNCc1ccc(c(c1)C)F 2230a_106832991635_100011216667 [0,1,0,0,0,0|2,0,1]=4 2308 B11R1.192 CNCc1ccc(c(c1)C)F 270004a_106832991635_100000748208 [0,1,0,0,0,0|2,0,1]=4 2309 B11R1.192 CNCc1ccc(c(c1)C)F 34a_100000239911_200000210301 [0,1,0,0,0,0|2,0,1]=4 2310 B11R1.192 CNCc1ccc(c(c1)C)F 34a_100102657272_100011216667 [0,1,0,0,0,0|2,0,1]=4 2311 B11R1.192 CNCc1ccc(c(c1)C)F 7a_106832991635_100011216667 [0,1,0,0,0,0|2,0,1]=4 2312 B11R1.192 CNCc1ccc(c(c1)Cl)Br 207a_100102657272_100000690054 [0,1,0,0,0,0|2,0,1]=4 2313 B11R1.192 CNCc1ccc(c(c1)Cl)Br 2230a_100012362553_200000210301 [0,1,0,0,0,0|2,0,1]=4 2314 B11R1.192 CNCc1ccc(c(c1)Cl)Br 2230a_106832991635_100012353895 [0,1,0,0,0,0|2,0,1]=4 2315 B11R1.192 CNCc1ccc(c(c1)Cl)Br 26a_100102657272_100011215161 [0,1,0,0,0,0|2,0,1]=4 2316 B11R1.192 CNCc1ccc(c(c1)Cl)Br 270004a_106832991635_100000690054 [0,1,0,0,0,0|2,0,1]=4 2317 B11R1.192 CNCc1ccc(c(c1)Cl)Br 34a_100012362553_200000210301 [0,1,0,0,0,0|2,0,1]=4 2318 B11R1.192 CNCc1ccc(c(c1)Cl)Br 34a_100102657272_100012353895 [0,1,0,0,0,0|2,0,1]=4 2319 B11R1.192 CNCc1ccc(c(c1)Cl)Br 7a_106832991635_100012353895 [0,1,0,0,0,0|2,0,1]=4 2320 B11R1.192 CNCc1ccc(c(c1)Cl)C 207a_100102657272_100000760539 [0,1,0,0,0,0|2,0,1]=4 2321 B11R1.192 CNCc1ccc(c(c1)Cl)C 2230a_102495364989_200000210301 [0,1,0,0,0,0|2,0,1]=4 2322 B11R1.192 CNCc1ccc(c(c1)Cl)C 2230a_106832991635_100011823929 [0,1,0,0,0,0|2,0,1]=4 2323 B11R1.192 CNCc1ccc(c(c1)Cl)C 26a_100102657272_100011265682 [0,1,0,0,0,0|2,0,1]=4 2324 B11R1.192 CNCc1ccc(c(c1)Cl)C 270004a_106832991635_100000760539 [0,1,0,0,0,0|2,0,1]=4 2325 B11R1.192 CNCc1ccc(c(c1)Cl)C 34a_100102657272_100011823929 [0,1,0,0,0,0|2,0,1]=4 2326 B11R1.192 CNCc1ccc(c(c1)Cl)C 34a_102495364989_200000210301 [0,1,0,0,0,0|2,0,1]=4 2327 B11R1.192 CNCc1ccc(c(c1)Cl)C 7a_106832991635_100011823929 [0,1,0,0,0,0|2,0,1]=4 2328 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 207a_100102657272_100000188533 [0,1,0,0,0,0|2,0,1]=4 2329 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_200000210301 [0,1,0,0,0,0|2,0,1]=4 2330 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 2230a_106832991635_100000184707 [0,1,0,0,0,0|2,0,1]=4 2331 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 26a_100102657272_100000211054 [0,1,0,0,0,0|2,0,1]=4 2332 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 270004a_106832991635_100000188533 [0,1,0,0,0,0|2,0,1]=4 2333 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 34a_100000174881_200000210301 [0,1,0,0,0,0|2,0,1]=4 2334 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 34a_100102657272_100000184707 [0,1,0,0,0,0|2,0,1]=4 2335 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 7a_106832991635_100000184707 [0,1,0,0,0,0|2,0,1]=4 2336 B11R1.192 CNCc1ccc(c(c1)Cl)F 207a_100102657272_100000742290 [0,1,0,0,0,0|2,0,1]=4 2337 B11R1.192 CNCc1ccc(c(c1)Cl)F 2230a_100000749334_200000210301 [0,1,0,0,0,0|2,0,1]=4 2338 B11R1.192 CNCc1ccc(c(c1)Cl)F 2230a_106832991635_100000717365 [0,1,0,0,0,0|2,0,1]=4 2339 B11R1.192 CNCc1ccc(c(c1)Cl)F 26a_100102657272_100000211030 [0,1,0,0,0,0|2,0,1]=4 2340 B11R1.192 CNCc1ccc(c(c1)Cl)F 270004a_106832991635_100000742290 [0,1,0,0,0,0|2,0,1]=4 2341 B11R1.192 CNCc1ccc(c(c1)Cl)F 34a_100000749334_200000210301 [0,1,0,0,0,0|2,0,1]=4 2342 B11R1.192 CNCc1ccc(c(c1)Cl)F 34a_100102657272_100011934319 [0,1,0,0,0,0|2,0,1]=4 2343 B11R1.192 CNCc1ccc(c(c1)Cl)F 7a_106832991635_100000717365 [0,1,0,0,0,0|2,0,1]=4 2344 B11R1.192 CNCc1ccc(c(c1)Cl)I 2230a_106832991635_100012349665 [0,1,0,0,0,0|2,0,1]=4 2345 B11R1.192 CNCc1ccc(c(c1)Cl)I 26a_100102657272_100000047559 [0,1,0,0,0,0|2,0,1]=4 2346 B11R1.192 CNCc1ccc(c(c1)Cl)I 34a_100102657272_100012349665 [0,1,0,0,0,0|2,0,1]=4 2347 B11R1.192 CNCc1ccc(c(c1)Cl)I 7a_106832991635_100012349665 [0,1,0,0,0,0|2,0,1]=4 2348 B11R1.192 CNCc1ccc(c(c1)F)Br 207a_100102657272_100000686674 [0,1,0,0,0,0|2,0,1]=4 2349 B11R1.192 CNCc1ccc(c(c1)F)Br 2230a_100000755036_200000210301 [0,1,0,0,0,0|2,0,1]=4 2350 B11R1.192 CNCc1ccc(c(c1)F)Br 2230a_106832991635_100000767054 [0,1,0,0,0,0|2,0,1]=4 2351 B11R1.192 CNCc1ccc(c(c1)F)Br 26a_100102657272_100000755031 [0,1,0,0,0,0|2,0,1]=4 2352 B11R1.192 CNCc1ccc(c(c1)F)Br 270004a_106832991635_100000686674 [0,1,0,0,0,0|2,0,1]=4 2353 B11R1.192 CNCc1ccc(c(c1)F)Br 34a_100000755036_200000210301 [0,1,0,0,0,0|2,0,1]=4 2354 B11R1.192 CNCc1ccc(c(c1)F)Br 34a_100102657272_100000767054 [0,1,0,0,0,0|2,0,1]=4 2355 B11R1.192 CNCc1ccc(c(c1)F)Br 7a_106832991635_100000767054 [0,1,0,0,0,0|2,0,1]=4 2356 B11R1.192 CNCc1ccc(c(c1)F)C 207a_100102657272_100000753222 [0,1,0,0,0,0|2,0,1]=4 2357 B11R1.192 CNCc1ccc(c(c1)F)C 2230a_100102708794_200000210301 [0,1,0,0,0,0|2,0,1]=4 2358 B11R1.192 CNCc1ccc(c(c1)F)C 2230a_106832991635_100011217369 [0,1,0,0,0,0|2,0,1]=4 2359 B11R1.192 CNCc1ccc(c(c1)F)C 270004a_106832991635_100000753222 [0,1,0,0,0,0|2,0,1]=4 2360 B11R1.192 CNCc1ccc(c(c1)F)C 34a_100102657272_100011217369 [0,1,0,0,0,0|2,0,1]=4 2361 B11R1.192 CNCc1ccc(c(c1)F)C 34a_100102708794_200000210301 [0,1,0,0,0,0|2,0,1]=4 2362 B11R1.192 CNCc1ccc(c(c1)F)C 7a_106832991635_100011217369 [0,1,0,0,0,0|2,0,1]=4 2363 B11R1.192 CNCc1ccc(c(c1)F)Cl 207a_100102657272_100000745630 [0,1,0,0,0,0|2,0,1]=4 2364 B11R1.192 CNCc1ccc(c(c1)F)Cl 2230a_100011219866_200000210301 [0,1,0,0,0,0|2,0,1]=4 2365 B11R1.192 CNCc1ccc(c(c1)F)Cl 2230a_106832991635_100000716492 [0,1,0,0,0,0|2,0,1]=4 2366 B11R1.192 CNCc1ccc(c(c1)F)Cl 26a_100102657272_100000691581 [0,1,0,0,0,0|2,0,1]=4 2367 B11R1.192 CNCc1ccc(c(c1)F)Cl 270004a_106832991635_100000745630 [0,1,0,0,0,0|2,0,1]=4 2368 B11R1.192 CNCc1ccc(c(c1)F)Cl 34a_100011219866_200000210301 [0,1,0,0,0,0|2,0,1]=4 2369 B11R1.192 CNCc1ccc(c(c1)F)Cl 34a_100102657272_100011519011 [0,1,0,0,0,0|2,0,1]=4 2370 B11R1.192 CNCc1ccc(c(c1)F)Cl 7a_106832991635_100000716492 [0,1,0,0,0,0|2,0,1]=4 2371 B11R1.192 CNCc1ccc(c(c1)F)F 207a_100102657272_100000211062 [0,1,0,0,0,0|2,0,1]=4 2372 B11R1.192 CNCc1ccc(c(c1)F)F 2230a_100000737897_200000210301 [0,1,0,0,0,0|2,0,1]=4 2373 B11R1.192 CNCc1ccc(c(c1)F)F 2230a_106832991635_100000757363 [0,1,0,0,0,0|2,0,1]=4 2374 B11R1.192 CNCc1ccc(c(c1)F)F 270004a_106832991635_100000211062 [0,1,0,0,0,0|2,0,1]=4 2375 B11R1.192 CNCc1ccc(c(c1)F)F 34a_100000737897_200000210301 [0,1,0,0,0,0|2,0,1]=4 2376 B11R1.192 CNCc1ccc(c(c1)F)F 34a_100102657272_100000757363 [0,1,0,0,0,0|2,0,1]=4 2377 B11R1.192 CNCc1ccc(c(c1)F)F 7a_106832991635_100000757363 [0,1,0,0,0,0|2,0,1]=4 2378 B11R1.192 CNCc1ccc(c(c1)F)I 207a_100102657272_100000050832 [0,1,0,0,0,0|2,0,1]=4 2379 B11R1.192 CNCc1ccc(c(c1)F)I 2230a_106832991635_100010149604 [0,1,0,0,0,0|2,0,1]=4 2380 B11R1.192 CNCc1ccc(c(c1)F)I 270004a_106832991635_100000050832 [0,1,0,0,0,0|2,0,1]=4 2381 B11R1.192 CNCc1ccc(c(c1)F)I 34a_100102657272_100010149604 [0,1,0,0,0,0|2,0,1]=4 2382 B11R1.192 CNCc1ccc(c(c1)F)I 7a_106832991635_100010149604 [0,1,0,0,0,0|2,0,1]=4 2383 B11R1.192 CNCc1ccc(c(c1)F)O 34a_100000758358_200000210301 [0,1,0,0,0,0|1,0,1]=3 2384 B11R1.192 CNCc1ccc(c(c1)I)Br 207a_100102657272_100010146563 [0,1,0,0,0,0|2,0,1]=4 2385 B11R1.192 CNCc1ccc(c(c1)I)Br 2230a_106832991635_100010146616 [0,1,0,0,0,0|2,0,1]=4 2386 B11R1.192 CNCc1ccc(c(c1)I)Br 26a_100102657272_100012339312 [0,1,0,0,0,0|2,0,1]=4 2387 B11R1.192 CNCc1ccc(c(c1)I)Br 270004a_106832991635_100010146563 [0,1,0,0,0,0|2,0,1]=4 2388 B11R1.192 CNCc1ccc(c(c1)I)Br 34a_100102657272_100010146616 [0,1,0,0,0,0|2,0,1]=4 2389 B11R1.192 CNCc1ccc(c(c1)I)Br 7a_106832991635_100010146616 [0,1,0,0,0,0|2,0,1]=4 2390 B11R1.192 CNCc1ccc(c(c1)I)C 207a_100102657272_100010197721 [0,1,0,0,0,0|2,0,1]=4 2391 B11R1.192 CNCc1ccc(c(c1)I)C 2230a_106832991635_100010206137 [0,1,0,0,0,0|2,0,1]=4 2392 B11R1.192 CNCc1ccc(c(c1)I)C 270004a_106832991635_100010197721 [0,1,0,0,0,0|2,0,1]=4 2393 B11R1.192 CNCc1ccc(c(c1)I)C 34a_100102657272_100010206137 [0,1,0,0,0,0|2,0,1]=4 2394 B11R1.192 CNCc1ccc(c(c1)I)C 7a_106832991635_100010206137 [0,1,0,0,0,0|2,0,1]=4 2395 B11R1.192 CNCc1ccc(c(c1)I)Cl 207a_100102657272_100010209939 [0,1,0,0,0,0|2,0,1]=4 2396 B11R1.192 CNCc1ccc(c(c1)I)Cl 26a_100102657272_100000049588 [0,1,0,0,0,0|2,0,1]=4 2397 B11R1.192 CNCc1ccc(c(c1)I)Cl 270004a_106832991635_100010209939 [0,1,0,0,0,0|2,0,1]=4 2398 B11R1.192 CNCc1ccc(c(c1)I)F 207a_100102657272_100010188209 [0,1,0,0,0,0|2,0,1]=4 2399 B11R1.192 CNCc1ccc(c(c1)I)F 2230a_106832991635_100010188208 [0,1,0,0,0,0|2,0,1]=4 2400 B11R1.192 CNCc1ccc(c(c1)I)F 270004a_106832991635_100010188209 [0,1,0,0,0,0|2,0,1]=4 2401 B11R1.192 CNCc1ccc(c(c1)I)F 34a_100102657272_100010188208 [0,1,0,0,0,0|2,0,1]=4 2402 B11R1.192 CNCc1ccc(c(c1)I)F 7a_106832991635_100010188208 [0,1,0,0,0,0|2,0,1]=4 2403 B11R1.192 CNCc1ccc(c(c1)O)Cl 34a_100020636435_200000210301 [0,1,0,0,0,0|2,0,1]=4 2404 B11R1.192 CNCc1ccc(c(c1)O)F 34a_100160469508_200000210301 [0,1,0,0,0,0|2,0,1]=4 2405 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [0,1,0,0,0,0|1,0,1]=3 2406 B11R1.192 CNCc1cnc(c(c1)Br)O 207a_100102657272_100010064886 [0,1,0,0,0,0|2,0,1]=4 2407 B11R1.192 CNCc1cnc(c(c1)Br)O 270004a_106832991635_100010064886 [0,1,0,0,0,0|2,0,1]=4 2408 B11R1.192 COCc1ccc(c(c1)Br)Br 34a_100138415774_100012353900 [0,1,0,0,0,0|2,0,1]=4 2409 B11R1.192 COCc1ccc(c(c1)Br)C 34a_100000708995_200000210301 [0,1,0,0,0,0|2,0,1]=4 2410 B11R1.192 COCc1ccc(c(c1)Br)C 34a_100138415774_100012232412 [0,1,0,0,0,0|2,0,1]=4 2411 B11R1.192 COCc1ccc(c(c1)Br)C 7a_100000708995_200000210301 [0,1,0,0,0,0|2,0,1]=4 2412 B11R1.192 COCc1ccc(c(c1)Br)Cl 34a_100012353893_200000210301 [0,1,0,0,0,0|2,0,1]=4 2413 B11R1.192 COCc1ccc(c(c1)Br)Cl 34a_100138415774_100012353894 [0,1,0,0,0,0|2,0,1]=4 2414 B11R1.192 COCc1ccc(c(c1)Br)Cl 7a_100012353893_200000210301 [0,1,0,0,0,0|2,0,1]=4 2415 B11R1.192 COCc1ccc(c(c1)Br)F 34a_100000246287_200000210301 [0,1,0,0,0,0|2,0,1]=4 2416 B11R1.192 COCc1ccc(c(c1)Br)F 34a_100138415774_100011206884 [0,1,0,0,0,0|2,0,1]=4 2417 B11R1.192 COCc1ccc(c(c1)Br)F 7a_100000246287_200000210301 [0,1,0,0,0,0|2,0,1]=4 2418 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100000718852_200000210301 [0,1,0,0,0,0|2,0,1]=4 2419 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100138415774_100000727479 [0,1,0,0,0,0|2,0,1]=4 2420 B11R1.192 COCc1ccc(c(c1)C)Br 7a_100000718852_200000210301 [0,1,0,0,0,0|2,0,1]=4 2421 B11R1.192 COCc1ccc(c(c1)C)C 34a_100011215342_200000210301 [0,1,0,0,0,0|2,0,1]=4 2422 B11R1.192 COCc1ccc(c(c1)C)C 34a_100138415774_100000742320 [0,1,0,0,0,0|2,0,1]=4 2423 B11R1.192 COCc1ccc(c(c1)C)C 7a_100011215342_200000210301 [0,1,0,0,0,0|2,0,1]=4 2424 B11R1.192 COCc1ccc(c(c1)C)Cl 34a_100138415774_100012184735 [0,1,0,0,0,0|2,0,1]=4 2425 B11R1.192 COCc1ccc(c(c1)C)F 34a_100011219793_200000210301 [0,1,0,0,0,0|2,0,1]=4 2426 B11R1.192 COCc1ccc(c(c1)C)F 34a_100138415774_100011216667 [0,1,0,0,0,0|2,0,1]=4 2427 B11R1.192 COCc1ccc(c(c1)C)F 7a_100011219793_200000210301 [0,1,0,0,0,0|2,0,1]=4 2428 B11R1.192 COCc1ccc(c(c1)C)N 34a_200011997030_200000210301 [0,1,0,0,0,0|2,0,1]=4 2429 B11R1.192 COCc1ccc(c(c1)Cl)Br 34a_100000709168_200000210301 [0,1,0,0,0,0|2,0,1]=4 2430 B11R1.192 COCc1ccc(c(c1)Cl)Br 34a_100138415774_100012353895 [0,1,0,0,0,0|2,0,1]=4 2431 B11R1.192 COCc1ccc(c(c1)Cl)Br 7a_100000709168_200000210301 [0,1,0,0,0,0|2,0,1]=4 2432 B11R1.192 COCc1ccc(c(c1)Cl)C 34a_100011290783_200000210301 [0,1,0,0,0,0|2,0,1]=4 2433 B11R1.192 COCc1ccc(c(c1)Cl)C 34a_100138415774_100011823929 [0,1,0,0,0,0|2,0,1]=4 2434 B11R1.192 COCc1ccc(c(c1)Cl)C 7a_100011290783_200000210301 [0,1,0,0,0,0|2,0,1]=4 2435 B11R1.192 COCc1ccc(c(c1)Cl)Cl 34a_100000211588_200000210301 [0,1,0,0,0,0|2,0,1]=4 2436 B11R1.192 COCc1ccc(c(c1)Cl)Cl 34a_100138415774_100000184707 [0,1,0,0,0,0|2,0,1]=4 2437 B11R1.192 COCc1ccc(c(c1)Cl)Cl 7a_100000211588_200000210301 [0,1,0,0,0,0|2,0,1]=4 2438 B11R1.192 COCc1ccc(c(c1)Cl)F 34a_100011217911_200000210301 [0,1,0,0,0,0|2,0,1]=4 2439 B11R1.192 COCc1ccc(c(c1)Cl)F 34a_100138415774_100011934319 [0,1,0,0,0,0|2,0,1]=4 2440 B11R1.192 COCc1ccc(c(c1)Cl)F 7a_100011217911_200000210301 [0,1,0,0,0,0|2,0,1]=4 2441 B11R1.192 COCc1ccc(c(c1)Cl)I 34a_100000718186_200000210301 [0,1,0,0,0,0|2,0,1]=4 2442 B11R1.192 COCc1ccc(c(c1)Cl)I 34a_100138415774_100012349665 [0,1,0,0,0,0|2,0,1]=4 2443 B11R1.192 COCc1ccc(c(c1)Cl)I 7a_100000718186_200000210301 [0,1,0,0,0,0|2,0,1]=4 2444 B11R1.192 COCc1ccc(c(c1)F)Br 34a_100011533735_200000210301 [0,1,0,0,0,0|2,0,1]=4 2445 B11R1.192 COCc1ccc(c(c1)F)Br 34a_100138415774_100000767054 [0,1,0,0,0,0|2,0,1]=4 2446 B11R1.192 COCc1ccc(c(c1)F)Br 7a_100011533735_200000210301 [0,1,0,0,0,0|2,0,1]=4 2447 B11R1.192 COCc1ccc(c(c1)F)C 34a_100000702247_200000210301 [0,1,0,0,0,0|2,0,1]=4 2448 B11R1.192 COCc1ccc(c(c1)F)C 34a_100138415774_100011217369 [0,1,0,0,0,0|2,0,1]=4 2449 B11R1.192 COCc1ccc(c(c1)F)C 7a_100000702247_200000210301 [0,1,0,0,0,0|2,0,1]=4 2450 B11R1.192 COCc1ccc(c(c1)F)Cl 34a_100011218299_200000210301 [0,1,0,0,0,0|2,0,1]=4 2451 B11R1.192 COCc1ccc(c(c1)F)Cl 34a_100138415774_100011519011 [0,1,0,0,0,0|2,0,1]=4 2452 B11R1.192 COCc1ccc(c(c1)F)Cl 7a_100011218299_200000210301 [0,1,0,0,0,0|2,0,1]=4 2453 B11R1.192 COCc1ccc(c(c1)F)F 34a_100011215442_200000210301 [0,1,0,0,0,0|2,0,1]=4 2454 B11R1.192 COCc1ccc(c(c1)F)F 34a_100138415774_100000757363 [0,1,0,0,0,0|2,0,1]=4 2455 B11R1.192 COCc1ccc(c(c1)F)F 7a_100011215442_200000210301 [0,1,0,0,0,0|2,0,1]=4 2456 B11R1.192 COCc1ccc(c(c1)F)I 34a_100010149597_200000210301 [0,1,0,0,0,0|2,0,1]=4 2457 B11R1.192 COCc1ccc(c(c1)F)I 34a_100138415774_100010149604 [0,1,0,0,0,0|2,0,1]=4 2458 B11R1.192 COCc1ccc(c(c1)F)I 7a_100010149597_200000210301 [0,1,0,0,0,0|2,0,1]=4 2459 B11R1.192 COCc1ccc(c(c1)F)N 34a_100011217239_200000210301 [0,1,0,0,0,0|2,0,1]=4 2460 B11R1.192 COCc1ccc(c(c1)F)O 271570a_203496583355_100010177442 [0,1,0,0,0,0|1,0,1]=3 2461 B11R1.192 COCc1ccc(c(c1)I)Br 34a_100138415774_100010146616 [0,1,0,0,0,0|2,0,1]=4 2462 B11R1.192 COCc1ccc(c(c1)I)C 34a_100000050133_200000210301 [0,1,0,0,0,0|2,0,1]=4 2463 B11R1.192 COCc1ccc(c(c1)I)C 34a_100138415774_100010206137 [0,1,0,0,0,0|2,0,1]=4 2464 B11R1.192 COCc1ccc(c(c1)I)C 7a_100000050133_200000210301 [0,1,0,0,0,0|2,0,1]=4 2465 B11R1.192 COCc1ccc(c(c1)I)F 34a_100000049585_200000210301 [0,1,0,0,0,0|2,0,1]=4 2466 B11R1.192 COCc1ccc(c(c1)I)F 34a_100138415774_100010188208 [0,1,0,0,0,0|2,0,1]=4 2467 B11R1.192 COCc1ccc(c(c1)I)F 7a_100000049585_200000210301 [0,1,0,0,0,0|2,0,1]=4 2468 B11R1.192 COCc1ccc(c(c1)N)Br 34a_100012347568_200000210301 [0,1,0,0,0,0|2,0,1]=4 2469 B11R1.192 COCc1ccc(c(c1)N)C 34a_100000758420_200000210301 [0,1,0,0,0,0|2,0,1]=4 2470 B11R1.192 COCc1ccc(c(c1)N)Cl 34a_106256033963_200000210301 [0,1,0,0,0,0|2,0,1]=4 2471 B11R1.192 COCc1ccc(c(c1)N)F 34a_102125399562_200000210301 [0,1,0,0,0,0|2,0,1]=4 2472 B11R1.192 COCc1ccc(c(c1)N)O 271570a_203496583355_200013033220 [0,1,0,0,0,0|1,0,1]=3 2473 B11R1.192 COCc1ccc(c(c1)O)C 271570a_203496583355_200015395492 [0,1,0,0,0,0|2,0,1]=4 2474 B11R1.192 COCc1ccc(c(c1)O)F 271570a_203496583355_200011493689 [0,1,0,0,0,0|2,0,1]=4 2475 B11R1.192 CSCc1cc(=O)c(co1)O 62a_200000210301_100000010605 [0,1,0,0,0,0|2,0,1]=4 2476 B11R1.192 CSCc1ccc(c(c1)Br)Br 62a_100012353900_200000210301 [0,1,0,0,0,0|2,0,1]=4 2477 B11R1.192 CSCc1ccc(c(c1)Br)Br 62a_200000210301_100012353900 [0,1,0,0,0,0|2,0,1]=4 2478 B11R1.192 CSCc1ccc(c(c1)Br)C 62a_100012232412_200000210301 [0,1,0,0,0,0|2,0,1]=4 2479 B11R1.192 CSCc1ccc(c(c1)Br)C 62a_200000210301_100012232412 [0,1,0,0,0,0|2,0,1]=4 2480 B11R1.192 CSCc1ccc(c(c1)Br)Cl 62a_100012353894_200000210301 [0,1,0,0,0,0|2,0,1]=4 2481 B11R1.192 CSCc1ccc(c(c1)Br)Cl 62a_200000210301_100012353894 [0,1,0,0,0,0|2,0,1]=4 2482 B11R1.192 CSCc1ccc(c(c1)Br)F 62a_100011206884_200000210301 [0,1,0,0,0,0|2,0,1]=4 2483 B11R1.192 CSCc1ccc(c(c1)Br)F 62a_200000210301_100011206884 [0,1,0,0,0,0|2,0,1]=4 2484 B11R1.192 CSCc1ccc(c(c1)C)Br 62a_100000727479_200000210301 [0,1,0,0,0,0|2,0,1]=4 2485 B11R1.192 CSCc1ccc(c(c1)C)Br 62a_200000210301_100000727479 [0,1,0,0,0,0|2,0,1]=4 2486 B11R1.192 CSCc1ccc(c(c1)C)C 62a_100000742320_200000210301 [0,1,0,0,0,0|2,0,1]=4 2487 B11R1.192 CSCc1ccc(c(c1)C)C 62a_200000210301_100000742320 [0,1,0,0,0,0|2,0,1]=4 2488 B11R1.192 CSCc1ccc(c(c1)C)Cl 62a_100012184735_200000210301 [0,1,0,0,0,0|2,0,1]=4 2489 B11R1.192 CSCc1ccc(c(c1)C)Cl 62a_200000210301_100012184735 [0,1,0,0,0,0|2,0,1]=4 2490 B11R1.192 CSCc1ccc(c(c1)C)F 62a_100011216667_200000210301 [0,1,0,0,0,0|2,0,1]=4 2491 B11R1.192 CSCc1ccc(c(c1)C)F 62a_200000210301_100011216667 [0,1,0,0,0,0|2,0,1]=4 2492 B11R1.192 CSCc1ccc(c(c1)Cl)Br 62a_100012353895_200000210301 [0,1,0,0,0,0|2,0,1]=4 2493 B11R1.192 CSCc1ccc(c(c1)Cl)Br 62a_200000210301_100012353895 [0,1,0,0,0,0|2,0,1]=4 2494 B11R1.192 CSCc1ccc(c(c1)Cl)C 62a_100011823929_200000210301 [0,1,0,0,0,0|2,0,1]=4 2495 B11R1.192 CSCc1ccc(c(c1)Cl)C 62a_200000210301_100011823929 [0,1,0,0,0,0|2,0,1]=4 2496 B11R1.192 CSCc1ccc(c(c1)Cl)Cl 62a_100000184707_200000210301 [0,1,0,0,0,0|2,0,1]=4 2497 B11R1.192 CSCc1ccc(c(c1)Cl)Cl 62a_200000210301_100000184707 [0,1,0,0,0,0|2,0,1]=4 2498 B11R1.192 CSCc1ccc(c(c1)Cl)F 62a_100000717365_200000210301 [0,1,0,0,0,0|2,0,1]=4 2499 B11R1.192 CSCc1ccc(c(c1)Cl)F 62a_200000210301_100011934319 [0,1,0,0,0,0|2,0,1]=4 2500 B11R1.192 CSCc1ccc(c(c1)Cl)I 62a_100012349665_200000210301 [0,1,0,0,0,0|2,0,1]=4 2501 B11R1.192 CSCc1ccc(c(c1)Cl)I 62a_200000210301_100012349665 [0,1,0,0,0,0|2,0,1]=4 2502 B11R1.192 CSCc1ccc(c(c1)F)Br 62a_100000767054_200000210301 [0,1,0,0,0,0|2,0,1]=4 2503 B11R1.192 CSCc1ccc(c(c1)F)Br 62a_200000210301_100000767054 [0,1,0,0,0,0|2,0,1]=4 2504 B11R1.192 CSCc1ccc(c(c1)F)C 62a_100011217369_200000210301 [0,1,0,0,0,0|2,0,1]=4 2505 B11R1.192 CSCc1ccc(c(c1)F)C 62a_200000210301_100011217369 [0,1,0,0,0,0|2,0,1]=4 2506 B11R1.192 CSCc1ccc(c(c1)F)Cl 62a_100000716492_200000210301 [0,1,0,0,0,0|2,0,1]=4 2507 B11R1.192 CSCc1ccc(c(c1)F)Cl 62a_200000210301_100000716492 [0,1,0,0,0,0|2,0,1]=4 2508 B11R1.192 CSCc1ccc(c(c1)F)F 62a_100000757363_200000210301 [0,1,0,0,0,0|2,0,1]=4 2509 B11R1.192 CSCc1ccc(c(c1)F)F 62a_200000210301_100000757363 [0,1,0,0,0,0|2,0,1]=4 2510 B11R1.192 CSCc1ccc(c(c1)F)I 62a_100010149604_200000210301 [0,1,0,0,0,0|2,0,1]=4 2511 B11R1.192 CSCc1ccc(c(c1)F)I 62a_200000210301_100010149604 [0,1,0,0,0,0|2,0,1]=4 2512 B11R1.192 CSCc1ccc(c(c1)I)Br 62a_100010146616_200000210301 [0,1,0,0,0,0|2,0,1]=4 2513 B11R1.192 CSCc1ccc(c(c1)I)Br 62a_200000210301_100010146616 [0,1,0,0,0,0|2,0,1]=4 2514 B11R1.192 CSCc1ccc(c(c1)I)C 62a_100010206137_200000210301 [0,1,0,0,0,0|2,0,1]=4 2515 B11R1.192 CSCc1ccc(c(c1)I)C 62a_200000210301_100010206137 [0,1,0,0,0,0|2,0,1]=4 2516 B11R1.192 CSCc1ccc(c(c1)I)F 62a_100010188208_200000210301 [0,1,0,0,0,0|2,0,1]=4 2517 B11R1.192 CSCc1ccc(c(c1)I)F 62a_200000210301_100010188208 [0,1,0,0,0,0|2,0,1]=4 2518 B11R1.192 Cc1cc(ccc1Br)CN[13CH3] 2230a_100015205234_200025704644 [0,1,0,0,0,0|2,0,1]=4 2519 B11R1.192 Cc1cc(ccc1Br)CN[13CH3] 34a_100015205234_200025704644 [0,1,0,0,0,0|2,0,1]=4 2520 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 34a_100000718852_200025704644 [0,1,0,0,0,0|2,0,1]=4 2521 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 7a_100000718852_200025704644 [0,1,0,0,0,0|2,0,1]=4 2522 B11R1.192 Cc1cc(ccc1Br)CS[13CH3] 62a_100000727479_200025704644 [0,1,0,0,0,0|2,0,1]=4 2523 B11R1.192 Cc1cc(ccc1Br)CS[13CH3] 62a_200025704644_100000727479 [0,1,0,0,0,0|2,0,1]=4 2524 B11R1.192 Cc1cc(ccc1Cl)CS[13CH3] 62a_100012184735_200025704644 [0,1,0,0,0,0|2,0,1]=4 2525 B11R1.192 Cc1cc(ccc1Cl)CS[13CH3] 62a_200025704644_100012184735 [0,1,0,0,0,0|2,0,1]=4 2526 B11R1.192 Cc1cc(ccc1F)CN[13CH3] 2230a_100000239911_200025704644 [0,1,0,0,0,0|2,0,1]=4 2527 B11R1.192 Cc1cc(ccc1F)CN[13CH3] 34a_100000239911_200025704644 [0,1,0,0,0,0|2,0,1]=4 2528 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 34a_100011219793_200025704644 [0,1,0,0,0,0|2,0,1]=4 2529 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 7a_100011219793_200025704644 [0,1,0,0,0,0|2,0,1]=4 2530 B11R1.192 Cc1cc(ccc1F)CS[13CH3] 62a_100011216667_200025704644 [0,1,0,0,0,0|2,0,1]=4 2531 B11R1.192 Cc1cc(ccc1F)CS[13CH3] 62a_200025704644_100011216667 [0,1,0,0,0,0|2,0,1]=4 2532 B11R1.192 Cc1cc(ccc1N)CO[13CH3] 34a_200011997030_200025704644 [0,1,0,0,0,0|2,0,1]=4 2533 B11R1.192 Cc1cc(ccc1O)CC#N 271570a_203496583355_100000726167 [0,1,0,0,0,0|1,0,1]=3 2534 B11R1.192 Cc1cc(ccc1O)NCF 34a_100011218179_100015361967 [0,1,0,0,0,0|2,0,1]=4 2535 B11R1.192 Cc1cc(ccc1O)NCF 7a_100011218179_100015361967 [0,1,0,0,0,0|2,0,1]=4 2536 B11R1.192 Cc1cc(ccc1O)SCF 62a_100015361967_100000186361 [0,1,0,0,0,0|2,0,1]=4 2537 B11R1.192 Cc1ccc(cc1Br)CO[13CH3] 34a_100000708995_200025704644 [0,1,0,0,0,0|2,0,1]=4 2538 B11R1.192 Cc1ccc(cc1Br)CO[13CH3] 7a_100000708995_200025704644 [0,1,0,0,0,0|2,0,1]=4 2539 B11R1.192 Cc1ccc(cc1Br)CS[13CH3] 62a_100012232412_200025704644 [0,1,0,0,0,0|2,0,1]=4 2540 B11R1.192 Cc1ccc(cc1Br)CS[13CH3] 62a_200025704644_100012232412 [0,1,0,0,0,0|2,0,1]=4 2541 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 2230a_100025706692_200025704644 [0,1,0,0,0,0|2,0,1]=4 2542 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 34a_100025706692_200025704644 [0,1,0,0,0,0|2,0,1]=4 2543 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 34a_100011215342_200025704644 [0,1,0,0,0,0|2,0,1]=4 2544 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 7a_100011215342_200025704644 [0,1,0,0,0,0|2,0,1]=4 2545 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_100000742320_200025704644 [0,1,0,0,0,0|2,0,1]=4 2546 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_200025704644_100000742320 [0,1,0,0,0,0|2,0,1]=4 2547 B11R1.192 Cc1ccc(cc1Cl)CN[13CH3] 2230a_102495364989_200025704644 [0,1,0,0,0,0|2,0,1]=4 2548 B11R1.192 Cc1ccc(cc1Cl)CN[13CH3] 34a_102495364989_200025704644 [0,1,0,0,0,0|2,0,1]=4 2549 B11R1.192 Cc1ccc(cc1Cl)CO[13CH3] 34a_100011290783_200025704644 [0,1,0,0,0,0|2,0,1]=4 2550 B11R1.192 Cc1ccc(cc1Cl)CO[13CH3] 7a_100011290783_200025704644 [0,1,0,0,0,0|2,0,1]=4 2551 B11R1.192 Cc1ccc(cc1Cl)CS[13CH3] 62a_100011823929_200025704644 [0,1,0,0,0,0|2,0,1]=4 2552 B11R1.192 Cc1ccc(cc1Cl)CS[13CH3] 62a_200025704644_100011823929 [0,1,0,0,0,0|2,0,1]=4 2553 B11R1.192 Cc1ccc(cc1F)CN[13CH3] 2230a_100102708794_200025704644 [0,1,0,0,0,0|2,0,1]=4 2554 B11R1.192 Cc1ccc(cc1F)CN[13CH3] 34a_100102708794_200025704644 [0,1,0,0,0,0|2,0,1]=4 2555 B11R1.192 Cc1ccc(cc1F)CO[13CH3] 34a_100000702247_200025704644 [0,1,0,0,0,0|2,0,1]=4 2556 B11R1.192 Cc1ccc(cc1F)CO[13CH3] 7a_100000702247_200025704644 [0,1,0,0,0,0|2,0,1]=4 2557 B11R1.192 Cc1ccc(cc1F)CS[13CH3] 62a_100011217369_200025704644 [0,1,0,0,0,0|2,0,1]=4 2558 B11R1.192 Cc1ccc(cc1F)CS[13CH3] 62a_200025704644_100011217369 [0,1,0,0,0,0|2,0,1]=4 2559 B11R1.192 Cc1ccc(cc1I)CO[13CH3] 34a_100000050133_200025704644 [0,1,0,0,0,0|2,0,1]=4 2560 B11R1.192 Cc1ccc(cc1I)CO[13CH3] 7a_100000050133_200025704644 [0,1,0,0,0,0|2,0,1]=4 2561 B11R1.192 Cc1ccc(cc1I)CS[13CH3] 62a_100010206137_200025704644 [0,1,0,0,0,0|2,0,1]=4 2562 B11R1.192 Cc1ccc(cc1I)CS[13CH3] 62a_200025704644_100010206137 [0,1,0,0,0,0|2,0,1]=4 2563 B11R1.192 Cc1ccc(cc1N)CO[13CH3] 34a_100000758420_200025704644 [0,1,0,0,0,0|2,0,1]=4 2564 B11R1.192 N#CCc1ccc(c(c1)F)O 271570a_203496583355_100000691973 [0,1,0,0,0,0|1,0,1]=3 2565 B11R1.192 N#CCc1ccc(c(c1)O)F 271570a_203496583355_100000742998 [0,1,0,0,0,0|2,0,1]=4 2566 B11R1.192 N#CCc1ccc(c(c1)O)N 271570a_203496583355_100010188563 [0,1,0,0,0,0|2,0,1]=4 2567 B11R1.192 N#CCc1cnc(c(c1)F)O 271570a_203496583355_200010066908 [0,1,0,0,0,0|2,0,1]=4 2568 B11R1.192 N#CSc1ccc(c(c1)F)O 271570a_203496583355_100025703552 [0,1,0,0,0,0|2,0,1]=4 2569 B11R1.192 Nc1cc(ccc1O)SCF 62a_100000752626_100015361967 [0,1,0,0,0,0|2,0,1]=4 2570 B11R1.192 Nc1cc(ccc1O)SCF 62a_100015361967_100000752626 [0,1,0,0,0,0|2,0,1]=4 2571 B11R1.192 OCCc1ccc(c(c1)F)O 271570a_203496583355_100012921202 [0,1,0,0,0,0|1,0,1]=3 2572 B11R1.192 Oc1ccc(cc1Br)NCF 34a_100011534360_100015361967 [0,1,0,0,0,0|2,0,1]=4 2573 B11R1.192 Oc1ccc(cc1Br)SCF 62a_100012361655_100015361967 [0,1,0,0,0,0|2,0,1]=4 2574 B11R1.192 Oc1ccc(cc1Br)SCF 62a_100015361967_100012361655 [0,1,0,0,0,0|2,0,1]=4 2575 B11R1.192 Oc1ccc(cc1Cl)NCF 34a_100000744943_100015361967 [0,1,0,0,0,0|2,0,1]=4 2576 B11R1.192 Oc1ccc(cc1Cl)SCF 62a_100012360047_100015361967 [0,1,0,0,0,0|2,0,1]=4 2577 B11R1.192 Oc1ccc(cc1Cl)SCF 62a_100015361967_100012360047 [0,1,0,0,0,0|2,0,1]=4 2578 B11R1.192 Oc1ccc(cc1F)NCF 34a_100011220035_100015361967 [0,1,0,0,0,0|2,0,1]=4 2579 B11R1.192 Oc1ccc(cc1F)NCF 7a_100011220035_100015361967 [0,1,0,0,0,0|2,0,1]=4 2580 B11R1.192 Oc1ccc(cc1F)SCF 62a_100000185481_100015361967 [0,1,0,0,0,0|2,0,1]=4 2581 B11R1.192 Oc1ccc(cc1F)SCF 62a_100015361967_100000185481 [0,1,0,0,0,0|2,0,1]=4 2582 B11R1.192 Oc1ccc(cc1O)NCF 34a_100102946323_100015361967 [0,1,0,0,0,0|2,0,1]=4 2583 B11R1.192 Oc1ccc(cc1O)SCF 62a_100015361967_100009813601 [0,1,0,0,0,0|2,0,1]=4 2584 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)Br 2230a_100012351559_200025704644 [0,1,0,0,0,0|2,0,1]=4 2585 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)Br 34a_100012351559_200025704644 [0,1,0,0,0,0|2,0,1]=4 2586 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)Cl 2230a_100012349490_200025704644 [0,1,0,0,0,0|2,0,1]=4 2587 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)Cl 34a_100012349490_200025704644 [0,1,0,0,0,0|2,0,1]=4 2588 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)F 2230a_100015193890_200025704644 [0,1,0,0,0,0|2,0,1]=4 2589 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)F 34a_100015193890_200025704644 [0,1,0,0,0,0|2,0,1]=4 2590 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)Br 2230a_100012362553_200025704644 [0,1,0,0,0,0|2,0,1]=4 2591 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)Br 34a_100012362553_200025704644 [0,1,0,0,0,0|2,0,1]=4 2592 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)Cl 2230a_100000174881_200025704644 [0,1,0,0,0,0|2,0,1]=4 2593 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)Cl 34a_100000174881_200025704644 [0,1,0,0,0,0|2,0,1]=4 2594 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)F 2230a_100000749334_200025704644 [0,1,0,0,0,0|2,0,1]=4 2595 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)F 34a_100000749334_200025704644 [0,1,0,0,0,0|2,0,1]=4 2596 B11R1.192 [13CH3]NCc1ccc(c(c1)F)Br 2230a_100000755036_200025704644 [0,1,0,0,0,0|2,0,1]=4 2597 B11R1.192 [13CH3]NCc1ccc(c(c1)F)Br 34a_100000755036_200025704644 [0,1,0,0,0,0|2,0,1]=4 2598 B11R1.192 [13CH3]NCc1ccc(c(c1)F)Cl 2230a_100011219866_200025704644 [0,1,0,0,0,0|2,0,1]=4 2599 B11R1.192 [13CH3]NCc1ccc(c(c1)F)Cl 34a_100011219866_200025704644 [0,1,0,0,0,0|2,0,1]=4 2600 B11R1.192 [13CH3]NCc1ccc(c(c1)F)F 2230a_100000737897_200025704644 [0,1,0,0,0,0|2,0,1]=4 2601 B11R1.192 [13CH3]NCc1ccc(c(c1)F)F 34a_100000737897_200025704644 [0,1,0,0,0,0|2,0,1]=4 2602 B11R1.192 [13CH3]NCc1ccc(c(c1)F)O 34a_100000758358_200025704644 [0,1,0,0,0,0|1,0,1]=3 2603 B11R1.192 [13CH3]NCc1ccc(c(c1)O)Cl 34a_100020636435_200025704644 [0,1,0,0,0,0|2,0,1]=4 2604 B11R1.192 [13CH3]NCc1ccc(c(c1)O)F 34a_100160469508_200025704644 [0,1,0,0,0,0|2,0,1]=4 2605 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [0,1,0,0,0,0|1,0,1]=3 2606 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)Cl 34a_100012353893_200025704644 [0,1,0,0,0,0|2,0,1]=4 2607 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)Cl 7a_100012353893_200025704644 [0,1,0,0,0,0|2,0,1]=4 2608 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)F 34a_100000246287_200025704644 [0,1,0,0,0,0|2,0,1]=4 2609 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)F 7a_100000246287_200025704644 [0,1,0,0,0,0|2,0,1]=4 2610 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Br 34a_100000709168_200025704644 [0,1,0,0,0,0|2,0,1]=4 2611 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Br 7a_100000709168_200025704644 [0,1,0,0,0,0|2,0,1]=4 2612 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Cl 34a_100000211588_200025704644 [0,1,0,0,0,0|2,0,1]=4 2613 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Cl 7a_100000211588_200025704644 [0,1,0,0,0,0|2,0,1]=4 2614 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)F 34a_100011217911_200025704644 [0,1,0,0,0,0|2,0,1]=4 2615 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)F 7a_100011217911_200025704644 [0,1,0,0,0,0|2,0,1]=4 2616 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)I 34a_100000718186_200025704644 [0,1,0,0,0,0|2,0,1]=4 2617 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)I 7a_100000718186_200025704644 [0,1,0,0,0,0|2,0,1]=4 2618 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Br 34a_100011533735_200025704644 [0,1,0,0,0,0|2,0,1]=4 2619 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Br 7a_100011533735_200025704644 [0,1,0,0,0,0|2,0,1]=4 2620 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Cl 34a_100011218299_200025704644 [0,1,0,0,0,0|2,0,1]=4 2621 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Cl 7a_100011218299_200025704644 [0,1,0,0,0,0|2,0,1]=4 2622 B11R1.192 [13CH3]OCc1ccc(c(c1)F)F 34a_100011215442_200025704644 [0,1,0,0,0,0|2,0,1]=4 2623 B11R1.192 [13CH3]OCc1ccc(c(c1)F)F 7a_100011215442_200025704644 [0,1,0,0,0,0|2,0,1]=4 2624 B11R1.192 [13CH3]OCc1ccc(c(c1)F)I 34a_100010149597_200025704644 [0,1,0,0,0,0|2,0,1]=4 2625 B11R1.192 [13CH3]OCc1ccc(c(c1)F)I 7a_100010149597_200025704644 [0,1,0,0,0,0|2,0,1]=4 2626 B11R1.192 [13CH3]OCc1ccc(c(c1)F)N 34a_100011217239_200025704644 [0,1,0,0,0,0|2,0,1]=4 2627 B11R1.192 [13CH3]OCc1ccc(c(c1)I)F 34a_100000049585_200025704644 [0,1,0,0,0,0|2,0,1]=4 2628 B11R1.192 [13CH3]OCc1ccc(c(c1)I)F 7a_100000049585_200025704644 [0,1,0,0,0,0|2,0,1]=4 2629 B11R1.192 [13CH3]OCc1ccc(c(c1)N)Br 34a_100012347568_200025704644 [0,1,0,0,0,0|2,0,1]=4 2630 B11R1.192 [13CH3]OCc1ccc(c(c1)N)Cl 34a_106256033963_200025704644 [0,1,0,0,0,0|2,0,1]=4 2631 B11R1.192 [13CH3]OCc1ccc(c(c1)N)F 34a_102125399562_200025704644 [0,1,0,0,0,0|2,0,1]=4 2632 B11R1.192 [13CH3]SCc1cc(=O)c(co1)O 62a_200025704644_100000010605 [0,1,0,0,0,0|2,0,1]=4 2633 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)Br 62a_100012353900_200025704644 [0,1,0,0,0,0|2,0,1]=4 2634 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)Br 62a_200025704644_100012353900 [0,1,0,0,0,0|2,0,1]=4 2635 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)Cl 62a_100012353894_200025704644 [0,1,0,0,0,0|2,0,1]=4 2636 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)Cl 62a_200025704644_100012353894 [0,1,0,0,0,0|2,0,1]=4 2637 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)F 62a_100011206884_200025704644 [0,1,0,0,0,0|2,0,1]=4 2638 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)F 62a_200025704644_100011206884 [0,1,0,0,0,0|2,0,1]=4 2639 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)Br 62a_100012353895_200025704644 [0,1,0,0,0,0|2,0,1]=4 2640 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)Br 62a_200025704644_100012353895 [0,1,0,0,0,0|2,0,1]=4 2641 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)Cl 62a_100000184707_200025704644 [0,1,0,0,0,0|2,0,1]=4 2642 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)Cl 62a_200025704644_100000184707 [0,1,0,0,0,0|2,0,1]=4 2643 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)F 62a_100000717365_200025704644 [0,1,0,0,0,0|2,0,1]=4 2644 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)F 62a_200025704644_100011934319 [0,1,0,0,0,0|2,0,1]=4 2645 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)I 62a_100012349665_200025704644 [0,1,0,0,0,0|2,0,1]=4 2646 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)I 62a_200025704644_100012349665 [0,1,0,0,0,0|2,0,1]=4 2647 B11R1.192 [13CH3]SCc1ccc(c(c1)F)Br 62a_100000767054_200025704644 [0,1,0,0,0,0|2,0,1]=4 2648 B11R1.192 [13CH3]SCc1ccc(c(c1)F)Br 62a_200025704644_100000767054 [0,1,0,0,0,0|2,0,1]=4 2649 B11R1.192 [13CH3]SCc1ccc(c(c1)F)Cl 62a_100000716492_200025704644 [0,1,0,0,0,0|2,0,1]=4 2650 B11R1.192 [13CH3]SCc1ccc(c(c1)F)Cl 62a_200025704644_100000716492 [0,1,0,0,0,0|2,0,1]=4 2651 B11R1.192 [13CH3]SCc1ccc(c(c1)F)F 62a_100000757363_200025704644 [0,1,0,0,0,0|2,0,1]=4 2652 B11R1.192 [13CH3]SCc1ccc(c(c1)F)F 62a_200025704644_100000757363 [0,1,0,0,0,0|2,0,1]=4 2653 B11R1.192 [13CH3]SCc1ccc(c(c1)F)I 62a_100010149604_200025704644 [0,1,0,0,0,0|2,0,1]=4 2654 B11R1.192 [13CH3]SCc1ccc(c(c1)F)I 62a_200025704644_100010149604 [0,1,0,0,0,0|2,0,1]=4 2655 B11R1.192 [13CH3]SCc1ccc(c(c1)I)Br 62a_100010146616_200025704644 [0,1,0,0,0,0|2,0,1]=4 2656 B11R1.192 [13CH3]SCc1ccc(c(c1)I)Br 62a_200025704644_100010146616 [0,1,0,0,0,0|2,0,1]=4 2657 B11R1.192 [13CH3]SCc1ccc(c(c1)I)F 62a_100010188208_200025704644 [0,1,0,0,0,0|2,0,1]=4 2658 B11R1.192 [13CH3]SCc1ccc(c(c1)I)F 62a_200025704644_100010188208 [0,1,0,0,0,0|2,0,1]=4 2659 B11R2.34 Brc1ccc(cc1)C2CC2 271570a_100011220607_100000752885 [0,0,0,1,0,0|1,0,2]=4 2660 B11R2.34 Cc1ccc(cc1)C2CC2 271570a_100011220607_100000186775 [0,0,0,1,0,0|1,0,2]=4 2661 B11R2.34 Clc1ccc(cc1)C2CC2 271570a_100011220607_100000755918 [0,0,0,1,0,0|1,0,2]=4 2662 B11R2.34 Fc1ccc(cc1)C2CC2 271570a_100011220607_100000211213 [0,0,0,1,0,0|1,0,2]=4 2663 B11R2.34 Nc1ccc(cc1)C2CC2 271570a_100011220607_100000185761 [0,0,0,1,0,0|1,0,2]=4 2664 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_100011220607_100000185759 [0,0,0,1,0,0|0,0,2]=3 2665 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_203496583355_100009820665 [0,0,0,1,0,0|0,0,2]=3 2666 B11R2.34 Oc1ccc(cn1)C2CC2 271570a_203496583355_200000118129 [0,0,0,1,0,0|1,0,2]=4 2667 B11R2.34 Oc1ccc(nc1)C2CC2 271570a_100011220607_100000685995 [0,0,0,1,0,0|1,0,2]=4 2668 B11R2.34 Oc1ccc(nc1)C2CC2 271570a_203496583355_100009850895 [0,0,0,1,0,0|1,0,2]=4 2669 B11R2.36 Oc1cc2[nH]ccc2cn1 271570a_203496583355_100000089685 [0,0,0,1,0,0|2,0,1]=4 2670 B11R2.36 Oc1cc2c(cn1)CCN2 271570a_203496583355_100020639910 [0,0,0,1,0,0|2,0,1]=4 2671 B11R2.36 Oc1cc2c(cn1)CNC2 271570a_203496583355_100020645637 [0,0,0,1,0,0|2,0,1]=4 2672 B11R2.36 Oc1cc2cc[nH]c2cn1 271570a_203496583355_100009864809 [0,0,0,1,0,0|2,0,0]=3 2673 B11R2.36 Oc1cc2cc[nH]c2nn1 271570a_203496583355_100009855299 [0,0,0,1,0,0|3,0,0]=4 2674 B11R2.36 Oc1cc2cn[nH]c2cn1 271570a_203496583355_100009820118 [0,0,0,1,0,0|3,0,0]=4 2675 B11R2.36 Oc1cc2nc[nH]c2cn1 271570a_203496583355_100000070173 [0,0,0,1,0,0|3,0,0]=4 2676 B11R2.36 Oc1cc2sccc2cn1 271570a_203496583355_200016184645 [0,0,0,1,0,0|2,0,1]=4 2677 B11R2.36 Oc1ccc2[nH]ccc2c1 271570a_203496583355_100000211741 [0,0,0,1,0,0|1,0,0]=2 2678 B11R2.36 Oc1ccc2[nH]ccc2n1 271570a_203496583355_100000087148 [0,0,0,1,0,0|2,0,0]=3 2679 B11R2.36 Oc1ccc2[nH]cnc2c1 271570a_203496583355_100011265325 [0,0,0,1,0,0|2,0,0]=3 2680 B11R2.36 Oc1ccc2[nH]ncc2c1 271570a_203496583355_100000049815 [0,0,0,1,0,0|2,0,0]=3 2681 B11R2.36 Oc1ccc2[nH]ncc2n1 271570a_203496583355_100000082131 [0,0,0,1,0,0|3,0,0]=4 2682 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [0,0,0,1,0,0|0,0,0]=1 2683 B11R2.36 Oc1ccc2c(c1)CC=C2 271570a_203496583355_200009818231 [0,0,0,1,0,0|0,0,2]=3 2684 B11R2.36 Oc1ccc2c(c1)CCC2 271570a_203496583355_100000745594 [0,0,0,1,0,0|0,0,2]=3 2685 B11R2.36 Oc1ccc2c(c1)CCN2 271570a_203496583355_100000026929 [0,0,0,1,0,0|1,0,2]=4 2686 B11R2.36 Oc1ccc2c(c1)CCO2 271570a_203496583355_100000729065 [0,0,0,1,0,0|1,0,2]=4 2687 B11R2.36 Oc1ccc2c(c1)CNC2 271570a_203496583355_100000702344 [0,0,0,1,0,0|1,0,1]=3 2688 B11R2.36 Oc1ccc2c(c1)COC2 271570a_203496583355_100000698232 [0,0,0,1,0,0|1,0,1]=3 2689 B11R2.36 Oc1ccc2c(c1)NCC2 271570a_203496583355_100000754641 [0,0,0,1,0,0|1,0,1]=3 2690 B11R2.36 Oc1ccc2c(c1)OCC2 271570a_203496583355_100009818566 [0,0,0,1,0,0|1,0,1]=3 2691 B11R2.36 Oc1ccc2c(c1)OCO2 271570a_203496583355_100000688060 [0,0,0,1,0,0|2,0,1]=4 2692 B11R2.36 Oc1ccc2c(n1)CCC2 271570a_203496583355_100000046531 [0,0,0,1,0,0|1,0,2]=4 2693 B11R2.36 Oc1ccc2c(n1)CNC2 271570a_203496583355_100016995040 [0,0,0,1,0,0|2,0,1]=4 2694 B11R2.36 Oc1ccc2cc[nH]c2c1 271570a_203496583355_100000743809 [0,0,0,1,0,0|1,0,1]=3 2695 B11R2.36 Oc1ccc2cc[nH]c2n1 271570a_203496583355_100009814870 [0,0,0,1,0,0|2,0,1]=4 2696 B11R2.36 Oc1ccc2ccnn2c1 271570a_203496583355_100009820231 [0,0,0,1,0,0|2,0,1]=4 2697 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [0,0,0,1,0,0|1,0,1]=3 2698 B11R2.36 Oc1ccc2ccsc2c1 271570a_203496583355_100009888917 [0,0,0,1,0,0|1,0,1]=3 2699 B11R2.36 Oc1ccc2cn[nH]c2c1 271570a_203496583355_100000049514 [0,0,0,1,0,0|2,0,1]=4 2700 B11R2.36 Oc1ccc2cncn2c1 271570a_203496583355_100009887162 [0,0,0,1,0,0|2,0,1]=4 2701 B11R2.36 Oc1ccc2cnoc2c1 271570a_203496583355_100009817722 [0,0,0,1,0,0|2,0,1]=4 2702 B11R2.36 Oc1ccc2cscc2c1 271570a_203496583355_200010760811 [0,0,0,1,0,0|1,0,1]=3 2703 B11R2.36 Oc1ccc2csnc2c1 271570a_203496583355_100010170880 [0,0,0,1,0,0|2,0,1]=4 2704 B11R2.36 Oc1ccc2nc[nH]c2n1 271570a_203496583355_100000077665 [0,0,0,1,0,0|3,0,0]=4 2705 B11R2.36 Oc1ccc2nccn2c1 271570a_203496583355_100000746083 [0,0,0,1,0,0|2,0,0]=3 2706 B11R2.36 Oc1ccc2nccn2n1 271570a_203496583355_100009883166 [0,0,0,1,0,0|3,0,0]=4 2707 B11R2.36 Oc1ccc2ncnn2c1 271570a_203496583355_100009816971 [0,0,0,1,0,0|3,0,0]=4 2708 B11R2.36 Oc1ccc2ncoc2c1 271570a_203496583355_100009817590 [0,0,0,1,0,0|2,0,0]=3 2709 B11R2.36 Oc1ccc2ncsc2c1 271570a_203496583355_100009816678 [0,0,0,1,0,0|2,0,0]=3 2710 B11R2.36 Oc1ccc2ncsc2n1 271570a_203496583355_100010381354 [0,0,0,1,0,0|3,0,0]=4 2711 B11R2.36 Oc1ccc2nn[nH]c2c1 271570a_203496583355_100009817464 [0,0,0,1,0,0|3,0,0]=4 2712 B11R2.36 Oc1ccc2nncn2c1 271570a_203496583355_100000764363 [0,0,0,1,0,0|3,0,0]=4 2713 B11R2.36 Oc1ccc2nonc2c1 271570a_203496583355_100009814275 [0,0,0,1,0,0|3,0,0]=4 2714 B11R2.36 Oc1ccc2nsnc2c1 271570a_203496583355_100009814274 [0,0,0,1,0,0|3,0,0]=4 2715 B11R2.36 Oc1ccc2occc2c1 271570a_203496583355_100012343831 [0,0,0,1,0,0|1,0,0]=2 2716 B11R2.36 Oc1ccc2occc2n1 271570a_203496583355_100009851292 [0,0,0,1,0,0|2,0,0]=3 2717 B11R2.36 Oc1ccc2ocnc2c1 271570a_203496583355_100009816175 [0,0,0,1,0,0|2,0,0]=3 2718 B11R2.36 Oc1ccc2oncc2c1 271570a_203496583355_100009817723 [0,0,0,1,0,0|2,0,0]=3 2719 B11R2.36 Oc1ccc2sccc2c1 271570a_203496583355_100009814439 [0,0,0,1,0,0|1,0,0]=2 2720 B11R2.36 Oc1ccc2sccc2n1 271570a_203496583355_100012000956 [0,0,0,1,0,0|2,0,0]=3 2721 B11R2.36 Oc1ccc2scnc2c1 271570a_203496583355_100010005895 [0,0,0,1,0,0|2,0,0]=3 2722 B11R2.36 Oc1ccn2ccnc2c1 271570a_203496583355_100009816855 [0,0,0,1,0,0|2,0,1]=4 2723 B11R2.36 Oc1ccn2nccc2c1 271570a_203496583355_100000763084 [0,0,0,1,0,0|2,0,0]=3 2724 B11R2.36 Oc1ccn2nccc2n1 271570a_203496583355_100000691470 [0,0,0,1,0,0|3,0,0]=4 2725 B11R2.36 Oc1ccn2ncnc2c1 271570a_203496583355_100009819723 [0,0,0,1,0,0|3,0,0]=4 2726 B11R2.36 Oc1ccn2nncc2c1 271570a_203496583355_100009820036 [0,0,0,1,0,0|3,0,0]=4 2727 B11R2.36 Oc1cn2ccnc2cn1 271570a_203496583355_102495339940 [0,0,0,1,0,0|3,0,0]=4 2728 B11R2.36 Oc1cnc2[nH]ccc2c1 271570a_203496583355_100000760471 [0,0,0,1,0,0|2,0,0]=3 2729 B11R2.36 Oc1cnc2[nH]ccc2n1 271570a_203496583355_100009819590 [0,0,0,1,0,0|3,0,0]=4 2730 B11R2.36 Oc1cnc2[nH]ncc2c1 271570a_203496583355_100009814530 [0,0,0,1,0,0|3,0,0]=4 2731 B11R2.36 Oc1cnc2c(c1)CCC2 271570a_203496583355_100000693888 [0,0,0,1,0,0|1,0,2]=4 2732 B11R2.36 Oc1cnc2c(c1)NCC2 271570a_203496583355_100000698607 [0,0,0,1,0,0|2,0,1]=4 2733 B11R2.36 Oc1cnc2cc[nH]c2c1 271570a_203496583355_100009818992 [0,0,0,1,0,0|2,0,1]=4 2734 B11R2.36 Oc1cnc2nc[nH]c2c1 271570a_203496583355_100000760087 [0,0,0,1,0,0|3,0,0]=4 2735 B11R2.36 Oc1cnc2nccn2c1 271570a_203496583355_100000764708 [0,0,0,1,0,0|3,0,0]=4 2736 B11R2.36 Oc1cnc2ncoc2c1 271570a_203496583355_100000721906 [0,0,0,1,0,0|3,0,0]=4 2737 B11R2.36 Oc1cnc2nscc2c1 271570a_203496583355_200020642285 [0,0,0,1,0,0|3,0,0]=4 2738 B11R2.36 Oc1cnc2sccc2c1 271570a_203496583355_100010135160 [0,0,0,1,0,0|2,0,0]=3 2739 B11R2.36 Oc1cnc2scnc2c1 271570a_203496583355_100010178689 [0,0,0,1,0,0|3,0,0]=4 2740 B11R2.36 Oc1ncc2sccc2n1 271570a_203496583355_100000117912 [0,0,0,1,0,0|3,0,0]=4 2741 B9R1.7 C=CCc1noc(n1)O 270196a_100000746013_100015183105 [0,0,0,0,1,0|3,0,0]=4 2742 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [0,0,0,0,1,0|1,0,2]=4 2743 B9R1.7 CNCc1cc(cs1)O 271570a_203496583355_100000207611 [0,0,0,0,1,0|2,0,1]=4 2744 B9R1.7 CNCc1ccc(o1)O 271570a_203496583355_100000207588 [0,0,0,0,1,0|2,0,1]=4 2745 B9R1.7 COCc1cc(cs1)O 271570a_203496583355_100011542528 [0,0,0,0,1,0|2,0,1]=4 2746 B9R1.7 N#CCc1cc(cs1)O 271570a_203496583355_100000725765 [0,0,0,0,1,0|2,0,1]=4 2747 B9R1.7 N#CCc1ccc(s1)O 271570a_203496583355_100000740997 [0,0,0,0,1,0|2,0,1]=4 2748 B8R0.1 C=CC=CC(=O)CC=C 1458a_100016291481_100000210623 [1,0,1,0,0,0|1,0,0]=3 2749 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|0,0,0]=2 2750 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|1,0,0]=3 2751 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|1,0,0]=3 2752 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [2,0,0,0,0,0|2,0,0]=4 2753 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|1,0,0]=3 2754 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [2,0,0,0,0,0|2,0,0]=4 2755 B8R1.2 C=Cc1ccnnc1 271570a_100011290941_100000732662 [2,0,0,0,0,0|2,0,0]=4 2756 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [2,0,0,0,0,0|2,0,0]=4 2757 B8R1.2 C=Cc1cncnc1 271570a_100011290941_100011206942 [2,0,0,0,0,0|2,0,0]=4 2758 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [2,0,0,0,0,0|2,0,0]=4 2759 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,1]=4 2760 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|1,0,1]=4 2761 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|1,0,1]=4 2762 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|1,0,1]=4 2763 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|1,0,1]=4 2764 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,1]=4 2765 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|1,0,1]=4 2766 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|1,0,1]=4 2767 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|1,0,1]=4 2768 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|1,0,1]=4 2769 B8R1.3 Cc1ccc(cc1)O 271570a_203496583355_100000186775 [2,0,0,0,0,0|0,0,0]=2 2770 B8R1.3 Cc1ccc(cn1)O 271570a_203496583355_100000751577 [2,0,0,0,0,0|1,0,0]=3 2771 B8R1.3 Cc1ccc(nc1)O 271570a_203496583355_100000754016 [2,0,0,0,0,0|1,0,0]=3 2772 B8R1.3 Cc1ccc(nn1)O 271570a_203496583355_100011450037 [2,0,0,0,0,0|2,0,0]=4 2773 B8R1.3 Cc1cnc(cn1)O 271570a_203496583355_100011999403 [2,0,0,0,0,0|2,0,0]=4 2774 B8R1.3 Cc1cnc(nc1)O 271570a_203496583355_100011825175 [2,0,0,0,0,0|2,0,0]=4 2775 B8R1.3 Cc1ncc(cn1)O 271570a_203496583355_100000686985 [2,0,0,0,0,0|2,0,0]=4 2776 B8R1.3 Nc1ccc(cc1)O 271570a_203496583355_100000185761 [2,0,0,0,0,0|1,0,0]=3 2777 B8R1.3 Nc1ccc(cn1)O 271570a_203496583355_100000187370 [2,0,0,0,0,0|2,0,0]=4 2778 B8R1.3 Nc1ccc(nc1)O 271570a_203496583355_100000744251 [2,0,0,0,0,0|2,0,0]=4 2779 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [2,0,0,0,0,0|2,0,0]=4 2780 B8R1.3 Oc1ccc(cc1)Br 271570a_203496583355_100000752885 [2,0,0,0,0,0|1,0,0]=3 2781 B8R1.3 Oc1ccc(cc1)Cl 271570a_203496583355_100000755918 [2,0,0,0,0,0|1,0,0]=3 2782 B8R1.3 Oc1ccc(cc1)F 271570a_203496583355_100000211213 [2,0,0,0,0,0|1,0,0]=3 2783 B8R1.3 Oc1ccc(cc1)O 271570a_203496583355_100000185759 [2,0,0,0,0,0|1,0,0]=3 2784 B8R1.3 Oc1ccc(cn1)Br 271570a_203496583355_100000686858 [2,0,0,0,0,0|2,0,0]=4 2785 B8R1.3 Oc1ccc(cn1)Cl 271570a_203496583355_100011356976 [2,0,0,0,0,0|2,0,0]=4 2786 B8R1.3 Oc1ccc(cn1)F 271570a_203496583355_100000744514 [2,0,0,0,0,0|2,0,0]=4 2787 B8R1.3 Oc1ccc(nc1)Br 271570a_203496583355_100009814638 [2,0,0,0,0,0|2,0,0]=4 2788 B8R1.3 Oc1ccc(nc1)Cl 271570a_203496583355_100000034144 [2,0,0,0,0,0|2,0,0]=4 2789 B8R1.3 Oc1ccc(nc1)F 271570a_203496583355_100000748661 [2,0,0,0,0,0|2,0,0]=4 2790 B8R1.3 Oc1ccc(nc1)O 271570a_203496583355_100000685995 [2,0,0,0,0,0|2,0,0]=4 2791 B8R1.3 [O-][n+]1ccc(cc1)O 271570a_203496583355_100000039755 [2,0,0,0,0,0|2,0,0]=4 2792 B10R0.108 C=CCC(=O)C=CC(=CC)C 1458a_100000692105_100000210623 [0,1,1,0,0,0|1,0,1]=4 2793 B10R1.3 C=Cc1ccc(cc1)C#N 271570a_100011290941_100000179745 [1,1,0,0,0,0|1,0,0]=3 2794 B10R1.3 C=Cc1ccc(cc1)C=O 271570a_100011290941_100000186029 [1,1,0,0,0,0|0,0,1]=3 2795 B10R1.3 C=Cc1ccc(cc1)CC 271570a_100011290941_100011215824 [1,1,0,0,0,0|1,0,0]=3 2796 B10R1.3 C=Cc1ccc(cc1)CF 271570a_100011290941_100010268989 [1,1,0,0,0,0|1,0,0]=3 2797 B10R1.3 C=Cc1ccc(cc1)CN 271570a_100011290941_100016989417 [1,1,0,0,0,0|1,0,0]=3 2798 B10R1.3 C=Cc1ccc(cc1)CO 271570a_100011290941_100000690907 [1,1,0,0,0,0|0,0,0]=2 2799 B10R1.3 C=Cc1ccc(cc1)NC 271570a_100011290941_100000219623 [1,1,0,0,0,0|1,0,0]=3 2800 B10R1.3 C=Cc1ccc(cc1)NC 34a_100011218248_200000210301 [1,1,0,0,0,0|1,0,0]=3 2801 B10R1.3 C=Cc1ccc(cc1)NN 271570a_100011290941_100016988836 [1,1,0,0,0,0|1,0,0]=3 2802 B10R1.3 C=Cc1ccc(cc1)N[13CH3] 34a_100011218248_200025704644 [1,1,0,0,0,0|1,0,0]=3 2803 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [1,1,0,0,0,0|0,0,0]=2 2804 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [1,1,0,0,0,0|0,0,0]=2 2805 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [1,1,0,0,0,0|0,0,0]=2 2806 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [1,1,0,0,0,0|0,0,0]=2 2807 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [1,1,0,0,0,0|0,0,0]=2 2808 B10R1.3 C=Cc1ccc(cc1)SC 271570a_100011290941_100011263217 [1,1,0,0,0,0|0,1,0]=3 2809 B10R1.3 C=Cc1ccc(cc1)SC 62a_100000748128_200000210301 [1,1,0,0,0,0|0,1,0]=3 2810 B10R1.3 C=Cc1ccc(cc1)SC 62a_200000210301_100000748128 [1,1,0,0,0,0|0,1,0]=3 2811 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_100000748128_200025704644 [1,1,0,0,0,0|0,1,0]=3 2812 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000748128 [1,1,0,0,0,0|0,1,0]=3 2813 B10R1.3 C=Cc1ccc(cn1)C#N 271570a_100011290941_100000241038 [1,1,0,0,0,0|2,0,0]=4 2814 B10R1.3 C=Cc1ccc(cn1)C=O 271570a_100011290941_100000766901 [1,1,0,0,0,0|1,0,1]=4 2815 B10R1.3 C=Cc1ccc(cn1)CC 271570a_100011290941_100009843584 [1,1,0,0,0,0|2,0,0]=4 2816 B10R1.3 C=Cc1ccc(cn1)CN 271570a_100011290941_100009817727 [1,1,0,0,0,0|2,0,0]=4 2817 B10R1.3 C=Cc1ccc(cn1)CO 271570a_100011290941_100009816760 [1,1,0,0,0,0|1,0,0]=3 2818 B10R1.3 C=Cc1ccc(cn1)NC 271570a_100011290941_100000764248 [1,1,0,0,0,0|2,0,0]=4 2819 B10R1.3 C=Cc1ccc(cn1)NN 271570a_100011290941_100000119030 [1,1,0,0,0,0|2,0,0]=4 2820 B10R1.3 C=Cc1ccc(cn1)OC 271570a_100011290941_100000755202 [1,1,0,0,0,0|1,0,0]=3 2821 B10R1.3 C=Cc1ccc(cn1)SC 271570a_100011290941_100009820866 [1,1,0,0,0,0|1,1,0]=4 2822 B10R1.3 C=Cc1ccc(nc1)C#N 271570a_100011290941_100000760455 [1,1,0,0,0,0|2,0,0]=4 2823 B10R1.3 C=Cc1ccc(nc1)C=O 271570a_100011290941_100000754260 [1,1,0,0,0,0|1,0,1]=4 2824 B10R1.3 C=Cc1ccc(nc1)CC 271570a_100011290941_100009820025 [1,1,0,0,0,0|2,0,0]=4 2825 B10R1.3 C=Cc1ccc(nc1)CN 271570a_100011290941_100015188789 [1,1,0,0,0,0|2,0,0]=4 2826 B10R1.3 C=Cc1ccc(nc1)CO 271570a_100011290941_100000754261 [1,1,0,0,0,0|1,0,0]=3 2827 B10R1.3 C=Cc1ccc(nc1)NC 271570a_100011290941_100000741341 [1,1,0,0,0,0|2,0,0]=4 2828 B10R1.3 C=Cc1ccc(nc1)NN 271570a_100011290941_100000750576 [1,1,0,0,0,0|2,0,0]=4 2829 B10R1.3 C=Cc1ccc(nc1)OC 271570a_100011290941_100000047065 [1,1,0,0,0,0|1,0,0]=3 2830 B10R1.3 C=Cc1ccc(nc1)SC 271570a_100011290941_100011408404 [1,1,0,0,0,0|1,1,0]=4 2831 B10R1.3 C=Cc1ccc(nc1)SC 62a_103436540071_200000210301 [1,1,0,0,0,0|1,1,0]=4 2832 B10R1.3 C=Cc1ccc(nc1)SC 62a_200000210301_103436540071 [1,1,0,0,0,0|1,1,0]=4 2833 B10R1.3 C=Cc1ccc(nc1)S[13CH3] 62a_103436540071_200025704644 [1,1,0,0,0,0|1,1,0]=4 2834 B10R1.3 C=Cc1ccc(nc1)S[13CH3] 62a_200025704644_103436540071 [1,1,0,0,0,0|1,1,0]=4 2835 B10R1.3 C=Cc1ccc(nn1)OC 271570a_100011290941_100009819040 [1,1,0,0,0,0|2,0,0]=4 2836 B10R1.3 C=Cc1cnc(cn1)CO 271570a_100011290941_100012002382 [1,1,0,0,0,0|2,0,0]=4 2837 B10R1.3 C=Cc1cnc(cn1)OC 271570a_100011290941_100011998698 [1,1,0,0,0,0|2,0,0]=4 2838 B10R1.3 C=Cc1cnc(nc1)CO 271570a_100011290941_100009867226 [1,1,0,0,0,0|2,0,0]=4 2839 B10R1.3 C=Cc1cnc(nc1)OC 271570a_100011290941_100000686852 [1,1,0,0,0,0|2,0,0]=4 2840 B10R1.3 C=Cc1ncc(cn1)CO 271570a_100011290941_100009855073 [1,1,0,0,0,0|2,0,0]=4 2841 B10R1.3 C=Cc1ncc(cn1)OC 271570a_100011290941_100000069167 [1,1,0,0,0,0|2,0,0]=4 2842 B10R1.3 CCc1ccc(cc1)NC 2230a_100000211069_200000210301 [1,1,0,0,0,0|1,0,1]=4 2843 B10R1.3 CCc1ccc(cc1)NC 34a_100000211069_200000210301 [1,1,0,0,0,0|1,0,1]=4 2844 B10R1.3 CCc1ccc(cc1)N[13CH3] 2230a_100000211069_200025704644 [1,1,0,0,0,0|1,0,1]=4 2845 B10R1.3 CCc1ccc(cc1)N[13CH3] 34a_100000211069_200025704644 [1,1,0,0,0,0|1,0,1]=4 2846 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [1,1,0,0,0,0|0,0,1]=3 2847 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [1,1,0,0,0,0|0,0,1]=3 2848 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [1,1,0,0,0,0|0,0,1]=3 2849 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [1,1,0,0,0,0|0,0,1]=3 2850 B10R1.3 CCc1ccc(cc1)SC 62a_100011215824_200000210301 [1,1,0,0,0,0|0,1,1]=4 2851 B10R1.3 CCc1ccc(cc1)SC 62a_200000210301_100011215824 [1,1,0,0,0,0|0,1,1]=4 2852 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_100011215824_200025704644 [1,1,0,0,0,0|0,1,1]=4 2853 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_200025704644_100011215824 [1,1,0,0,0,0|0,1,1]=4 2854 B10R1.3 CNc1ccc(cc1)CO 2230a_100011215238_200000210301 [1,1,0,0,0,0|1,0,1]=4 2855 B10R1.3 CNc1ccc(cc1)CO 34a_100011215238_200000210301 [1,1,0,0,0,0|1,0,1]=4 2856 B10R1.3 CNc1ccc(cc1)OC 34a_100000182112_200000210301 [1,1,0,0,0,0|1,0,1]=4 2857 B10R1.3 CNc1ccc(cc1)OC 34a_100000184247_200000210301 [1,1,0,0,0,0|1,0,1]=4 2858 B10R1.3 CNc1ccc(cc1)O[13CH3] 34a_100000182112_200025704644 [1,1,0,0,0,0|1,0,1]=4 2859 B10R1.3 COc1ccc(cc1)C#N 34a_100000210344_200000210301 [1,1,0,0,0,0|1,0,1]=4 2860 B10R1.3 COc1ccc(cc1)C#N 7a_100000210344_200000210301 [1,1,0,0,0,0|1,0,1]=4 2861 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [1,1,0,0,0,0|1,0,0]=3 2862 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [1,1,0,0,0,0|1,0,0]=3 2863 B10R1.3 COc1ccc(cc1)N[13CH3] 34a_100000184247_200025704644 [1,1,0,0,0,0|1,0,1]=4 2864 B10R1.3 COc1ccc(cc1)OC 34a_100000210503_200000210301 [1,1,0,0,0,0|1,0,1]=4 2865 B10R1.3 COc1ccc(cc1)O[13CH3] 34a_100000210503_200025704644 [1,1,0,0,0,0|1,0,1]=4 2866 B10R1.3 COc1ccc(cc1)SC 34a_100000211864_200000210301 [1,1,0,0,0,0|1,0,1]=4 2867 B10R1.3 COc1ccc(cc1)SC 62a_200000210301_100000171711 [1,1,0,0,0,0|1,0,1]=4 2868 B10R1.3 COc1ccc(cc1)S[13CH3] 62a_200025704644_100000171711 [1,1,0,0,0,0|1,0,1]=4 2869 B10R1.3 COc1ccc(cn1)CN 34a_100000757128_200000210301 [1,1,0,0,0,0|2,0,0]=4 2870 B10R1.3 COc1ccc(nc1)CN 34a_100020605196_200000210301 [1,1,0,0,0,0|2,0,0]=4 2871 B10R1.3 COc1ccc(nc1)CO 34a_103436540053_200000210301 [1,1,0,0,0,0|2,0,0]=4 2872 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [1,1,0,0,0,0|1,1,0]=4 2873 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [1,1,0,0,0,0|1,1,0]=4 2874 B10R1.3 CSc1ccc(cc1)CF 62a_100010268989_200000210301 [1,1,0,0,0,0|1,1,0]=4 2875 B10R1.3 CSc1ccc(cc1)CF 62a_200000210301_100010268989 [1,1,0,0,0,0|1,1,0]=4 2876 B10R1.3 CSc1ccc(cc1)CN 62a_100016989417_200000210301 [1,1,0,0,0,0|1,1,0]=4 2877 B10R1.3 CSc1ccc(cc1)CN 62a_200000210301_100016989417 [1,1,0,0,0,0|1,1,0]=4 2878 B10R1.3 CSc1ccc(cc1)CO 62a_100000690907_200000210301 [1,1,0,0,0,0|1,0,1]=4 2879 B10R1.3 CSc1ccc(cc1)CO 62a_200000210301_100000690907 [1,1,0,0,0,0|1,0,1]=4 2880 B10R1.3 CSc1ccc(cc1)O[13CH3] 34a_100000211864_200025704644 [1,1,0,0,0,0|1,0,1]=4 2881 B10R1.3 [13CH3]Nc1ccc(cc1)CO 2230a_100011215238_200025704644 [1,1,0,0,0,0|1,0,1]=4 2882 B10R1.3 [13CH3]Nc1ccc(cc1)CO 34a_100011215238_200025704644 [1,1,0,0,0,0|1,0,1]=4 2883 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 34a_100000210344_200025704644 [1,1,0,0,0,0|1,0,1]=4 2884 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 7a_100000210344_200025704644 [1,1,0,0,0,0|1,0,1]=4 2885 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [1,1,0,0,0,0|1,0,0]=3 2886 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [1,1,0,0,0,0|1,0,0]=3 2887 B10R1.3 [13CH3]Oc1ccc(cn1)CN 34a_100000757128_200025704644 [1,1,0,0,0,0|2,0,0]=4 2888 B10R1.3 [13CH3]Oc1ccc(nc1)CN 34a_100020605196_200025704644 [1,1,0,0,0,0|2,0,0]=4 2889 B10R1.3 [13CH3]Oc1ccc(nc1)CO 34a_103436540053_200025704644 [1,1,0,0,0,0|2,0,0]=4 2890 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [1,1,0,0,0,0|1,1,0]=4 2891 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [1,1,0,0,0,0|1,1,0]=4 2892 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_100010268989_200025704644 [1,1,0,0,0,0|1,1,0]=4 2893 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_200025704644_100010268989 [1,1,0,0,0,0|1,1,0]=4 2894 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_100016989417_200025704644 [1,1,0,0,0,0|1,1,0]=4 2895 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_200025704644_100016989417 [1,1,0,0,0,0|1,1,0]=4 2896 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_100000690907_200025704644 [1,1,0,0,0,0|1,0,1]=4 2897 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_200025704644_100000690907 [1,1,0,0,0,0|1,0,1]=4 2898 B10R1.13 C=C(C)c1cc[n+](cc1)[O-] 271570a_100000694244_100000039755 [1,1,0,0,0,0|1,0,1]=4 2899 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [1,1,0,0,0,0|1,0,1]=4 2900 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,1,0,0,0,0|1,0,0]=3 2901 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,1,0,0,0,0|1,0,0]=3 2902 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,1,0,0,0,0|1,0,0]=3 2903 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,1,0,0,0,0|1,0,0]=3 2904 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,1,0,0,0,0|1,0,0]=3 2905 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,1,0,0,0,0|0,0,0]=2 2906 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,1,0,0,0,0|0,0,0]=2 2907 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [1,1,0,0,0,0|2,0,0]=4 2908 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [1,1,0,0,0,0|2,0,0]=4 2909 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [1,1,0,0,0,0|2,0,0]=4 2910 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [1,1,0,0,0,0|2,0,0]=4 2911 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [1,1,0,0,0,0|2,0,0]=4 2912 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [1,1,0,0,0,0|1,0,0]=3 2913 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [1,1,0,0,0,0|2,0,0]=4 2914 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [1,1,0,0,0,0|2,0,0]=4 2915 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [1,1,0,0,0,0|2,0,0]=4 2916 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [1,1,0,0,0,0|2,0,0]=4 2917 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [1,1,0,0,0,0|2,0,0]=4 2918 B10R1.13 C=C(C)c1ncc(cn1)O 271570a_100000694244_100000730009 [1,1,0,0,0,0|2,0,0]=4 2919 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,1,0,0,0,0|1,0,1]=4 2920 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,1,0,0,0,0|1,0,1]=4 2921 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,1,0,0,0,0|1,0,1]=4 2922 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,1,0,0,0,0|1,0,1]=4 2923 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,1,0,0,0,0|1,0,1]=4 2924 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,1,0,0,0,0|0,0,1]=3 2925 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,1,0,0,0,0|0,0,1]=3 2926 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,1,0,0,0,0|1,0,1]=4 2927 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,1,0,0,0,0|1,0,1]=4 2928 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,1,0,0,0,0|0,0,1]=3 2929 B10R1.13 CC(C)c1ccc(cn1)O 271570a_203496583355_100010255768 [1,1,0,0,0,0|1,0,1]=4 2930 B10R1.13 CC(C)c1ccc(nc1)O 271570a_203496583355_200009815286 [1,1,0,0,0,0|1,0,1]=4 2931 B10R1.13 CC(N)c1ccc(cn1)O 271570a_203496583355_100000723930 [1,1,0,0,0,0|1,0,1]=4 2932 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,1,0,0,0,0|0,0,1]=3 2933 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [1,1,0,0,0,0|1,0,1]=4 2934 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [1,1,0,0,0,0|1,0,1]=4 2935 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [1,1,0,0,0,0|1,0,1]=4 2936 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [1,1,0,0,0,0|1,0,1]=4 2937 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [1,1,0,0,0,0|1,0,1]=4 2938 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [1,1,0,0,0,0|1,0,1]=4 2939 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [1,1,0,0,0,0|1,0,1]=4 2940 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,1,0,0,0,0|1,0,1]=4 2941 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,1,0,0,0,0|0,0,1]=3 2942 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,1,0,0,0,0|0,0,1]=3 2943 B10R1.13 C[C@H](N)c1ccc(nc1)O 271570a_203496583355_100015387476 [1,1,0,0,0,0|1,0,1]=4 2944 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,1,0,0,0,0|1,0,1]=4 2945 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,1,0,0,0,0|1,0,0]=3 2946 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,1,0,0,0,0|2,0,0]=4 2947 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,1,0,0,0,0|2,0,0]=4 2948 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [1,1,0,0,0,0|2,0,0]=4 2949 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [1,1,0,0,0,0|1,0,0]=3 2950 B10R1.13 Oc1ccc(cn1)C(F)F 271570a_203496583355_100000720607 [1,1,0,0,0,0|2,0,0]=4 2951 B10R1.13 Oc1ccc(nc1)C(F)F 271570a_203496583355_100010253924 [1,1,0,0,0,0|2,0,0]=4 2952 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,1,0,0,0,0|1,0,1]=4 2953 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,1,0,0,0,0|1,0,1]=4 2954 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,1,0,0,0,0|1,0,1]=4 2955 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,1,0,0,0,0|1,0,1]=4 2956 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,1,0,0,0,0|0,0,1]=3 2957 B10R1.25 C=Cc1c[nH]c(=O)cc1F 271570a_100011290941_100015631685 [1,1,0,0,0,0|1,0,1]=4 2958 B10R1.25 C=Cc1cc[n+](cc1C)[O-] 271570a_100011290941_100000074940 [1,1,0,0,0,0|1,0,1]=4 2959 B10R1.25 C=Cc1ccc(=O)[nH]c1N 271570a_100011290941_100009884077 [1,1,0,0,0,0|1,0,1]=4 2960 B10R1.25 C=Cc1ccc(c[n+]1[O-])C 271570a_100011290941_100009819918 [1,1,0,0,0,0|2,0,0]=4 2961 B10R1.25 C=Cc1ccc(c[n+]1[O-])F 271570a_100011290941_100009817261 [1,1,0,0,0,0|2,0,0]=4 2962 B10R1.25 C=Cc1ccc(cc1Br)Br 271570a_100011290941_100011484698 [1,1,0,0,0,0|1,0,0]=3 2963 B10R1.25 C=Cc1ccc(cc1Br)C 271570a_100011290941_100009813563 [1,1,0,0,0,0|1,0,0]=3 2964 B10R1.25 C=Cc1ccc(cc1Br)Cl 271570a_100011290941_100011219703 [1,1,0,0,0,0|1,0,0]=3 2965 B10R1.25 C=Cc1ccc(cc1Br)F 271570a_100011290941_100011217111 [1,1,0,0,0,0|1,0,0]=3 2966 B10R1.25 C=Cc1ccc(cc1Br)N 271570a_100011290941_100000750458 [1,1,0,0,0,0|1,0,0]=3 2967 B10R1.25 C=Cc1ccc(cc1Br)O 271570a_100011290941_100000701344 [1,1,0,0,0,0|0,0,0]=2 2968 B10R1.25 C=Cc1ccc(cc1C)Br 271570a_100011290941_100000701812 [1,1,0,0,0,0|1,0,0]=3 2969 B10R1.25 C=Cc1ccc(cc1C)C 271570a_100011290941_100011217332 [1,1,0,0,0,0|1,0,0]=3 2970 B10R1.25 C=Cc1ccc(cc1C)Cl 271570a_100011290941_100011219607 [1,1,0,0,0,0|1,0,0]=3 2971 B10R1.25 C=Cc1ccc(cc1C)F 271570a_100011290941_100011205405 [1,1,0,0,0,0|1,0,0]=3 2972 B10R1.25 C=Cc1ccc(cc1C)N 271570a_100011290941_100000210723 [1,1,0,0,0,0|1,0,0]=3 2973 B10R1.25 C=Cc1ccc(cc1C)O 271570a_100011290941_100000729255 [1,1,0,0,0,0|0,0,0]=2 2974 B10R1.25 C=Cc1ccc(cc1Cl)Br 271570a_100011290941_100011216062 [1,1,0,0,0,0|1,0,0]=3 2975 B10R1.25 C=Cc1ccc(cc1Cl)C 271570a_100011290941_100011263221 [1,1,0,0,0,0|1,0,0]=3 2976 B10R1.25 C=Cc1ccc(cc1Cl)Cl 271570a_100011290941_100000699841 [1,1,0,0,0,0|1,0,0]=3 2977 B10R1.25 C=Cc1ccc(cc1Cl)F 271570a_100011290941_100000733362 [1,1,0,0,0,0|1,0,0]=3 2978 B10R1.25 C=Cc1ccc(cc1Cl)N 271570a_100011290941_100000761885 [1,1,0,0,0,0|1,0,0]=3 2979 B10R1.25 C=Cc1ccc(cc1Cl)O 271570a_100011290941_100000047559 [1,1,0,0,0,0|0,0,0]=2 2980 B10R1.25 C=Cc1ccc(cc1F)Br 271570a_100011290941_100009814013 [1,1,0,0,0,0|1,0,0]=3 2981 B10R1.25 C=Cc1ccc(cc1F)C 271570a_100011290941_100011216119 [1,1,0,0,0,0|1,0,0]=3 2982 B10R1.25 C=Cc1ccc(cc1F)Cl 271570a_100011290941_100011216042 [1,1,0,0,0,0|1,0,0]=3 2983 B10R1.25 C=Cc1ccc(cc1F)F 271570a_100011290941_100000750030 [1,1,0,0,0,0|1,0,0]=3 2984 B10R1.25 C=Cc1ccc(cc1F)N 271570a_100011290941_100011356925 [1,1,0,0,0,0|1,0,0]=3 2985 B10R1.25 C=Cc1ccc(cc1F)O 271570a_100011290941_100000755031 [1,1,0,0,0,0|0,0,0]=2 2986 B10R1.25 C=Cc1ccc(cc1N)Br 271570a_100011290941_100000743836 [1,1,0,0,0,0|1,0,0]=3 2987 B10R1.25 C=Cc1ccc(cc1N)C 271570a_100011290941_100011216686 [1,1,0,0,0,0|1,0,0]=3 2988 B10R1.25 C=Cc1ccc(cc1N)Cl 271570a_100011290941_100000761886 [1,1,0,0,0,0|1,0,0]=3 2989 B10R1.25 C=Cc1ccc(cc1N)F 271570a_100011290941_100011218093 [1,1,0,0,0,0|1,0,0]=3 2990 B10R1.25 C=Cc1ccc(cc1N)N 271570a_100011290941_200012175722 [1,1,0,0,0,0|1,0,0]=3 2991 B10R1.25 C=Cc1ccc(cc1N)O 271570a_100011290941_100011999798 [1,1,0,0,0,0|0,0,0]=2 2992 B10R1.25 C=Cc1ccc(cc1O)Br 271570a_100011290941_100012344904 [1,1,0,0,0,0|1,0,0]=3 2993 B10R1.25 C=Cc1ccc(cc1O)C 271570a_100011290941_100012002257 [1,1,0,0,0,0|1,0,0]=3 2994 B10R1.25 C=Cc1ccc(cc1O)Cl 271570a_100011290941_100000050036 [1,1,0,0,0,0|1,0,0]=3 2995 B10R1.25 C=Cc1ccc(cc1O)F 271570a_100011290941_100000690578 [1,1,0,0,0,0|1,0,0]=3 2996 B10R1.25 C=Cc1ccc(cc1O)O 271570a_100011290941_100009813921 [1,1,0,0,0,0|0,0,0]=2 2997 B10R1.25 C=Cc1ccc(nc1Br)N 271570a_100011290941_100010734177 [1,1,0,0,0,0|2,0,0]=4 2998 B10R1.25 C=Cc1ccc(nc1C)C 271570a_100011290941_100009813853 [1,1,0,0,0,0|2,0,0]=4 2999 B10R1.25 C=Cc1ccc(nc1C)Cl 271570a_100011290941_100000062408 [1,1,0,0,0,0|2,0,0]=4 3000 B10R1.25 C=Cc1ccc(nc1C)F 271570a_100011290941_100000688911 [1,1,0,0,0,0|2,0,0]=4 3001 B10R1.25 C=Cc1ccc(nc1C)N 271570a_100011290941_100000013003 [1,1,0,0,0,0|2,0,0]=4 3002 B10R1.25 C=Cc1ccc(nc1C)O 271570a_100011290941_100000691680 [1,1,0,0,0,0|1,0,0]=3 3003 B10R1.25 C=Cc1ccc(nc1Cl)Br 271570a_100011290941_100010246183 [1,1,0,0,0,0|2,0,0]=4 3004 B10R1.25 C=Cc1ccc(nc1Cl)N 271570a_100011290941_100010270343 [1,1,0,0,0,0|2,0,0]=4 3005 B10R1.25 C=Cc1ccc(nc1F)C 271570a_100011290941_100010006597 [1,1,0,0,0,0|2,0,0]=4 3006 B10R1.25 C=Cc1ccc(nc1F)Cl 271570a_100011290941_100010168078 [1,1,0,0,0,0|2,0,0]=4 3007 B10R1.25 C=Cc1ccc(nc1F)F 271570a_100011290941_100000070099 [1,1,0,0,0,0|2,0,0]=4 3008 B10R1.25 C=Cc1ccc(nc1F)N 271570a_100011290941_100009882772 [1,1,0,0,0,0|2,0,0]=4 3009 B10R1.25 C=Cc1ccc(nc1F)O 271570a_100011290941_100009879308 [1,1,0,0,0,0|1,0,0]=3 3010 B10R1.25 C=Cc1ccc(nc1N)C 271570a_100011290941_100009816662 [1,1,0,0,0,0|2,0,0]=4 3011 B10R1.25 C=Cc1ccc(nc1N)Cl 271570a_100011290941_100010171640 [1,1,0,0,0,0|2,0,0]=4 3012 B10R1.25 C=Cc1ccc(nc1N)F 271570a_100011290941_100009854977 [1,1,0,0,0,0|2,0,0]=4 3013 B10R1.25 C=Cc1ccc(nc1N)N 271570a_100011290941_100011356871 [1,1,0,0,0,0|2,0,0]=4 3014 B10R1.25 C=Cc1ccc(nc1O)C 271570a_100011290941_100009817604 [1,1,0,0,0,0|2,0,0]=4 3015 B10R1.25 C=Cc1cnc([nH]c1=O)O 271570a_100011290941_100011215686 [1,1,0,0,0,0|2,0,0]=4 3016 B10R1.25 C=Cc1cnc(cc1Br)F 271570a_100011290941_100015451857 [1,1,0,0,0,0|2,0,0]=4 3017 B10R1.25 C=Cc1cnc(cc1Br)N 271570a_100011290941_100010074611 [1,1,0,0,0,0|2,0,0]=4 3018 B10R1.25 C=Cc1cnc(cc1C)Br 271570a_100011290941_100009816104 [1,1,0,0,0,0|2,0,0]=4 3019 B10R1.25 C=Cc1cnc(cc1C)C 271570a_100011290941_100009819613 [1,1,0,0,0,0|2,0,0]=4 3020 B10R1.25 C=Cc1cnc(cc1C)Cl 271570a_100011290941_100010172789 [1,1,0,0,0,0|2,0,0]=4 3021 B10R1.25 C=Cc1cnc(cc1C)F 271570a_100011290941_100009820716 [1,1,0,0,0,0|2,0,0]=4 3022 B10R1.25 C=Cc1cnc(cc1C)N 271570a_100011290941_100000050067 [1,1,0,0,0,0|2,0,0]=4 3023 B10R1.25 C=Cc1cnc(cc1C)O 271570a_100011290941_100010114363 [1,1,0,0,0,0|1,0,0]=3 3024 B10R1.25 C=Cc1cnc(cc1Cl)Br 271570a_100011290941_100010381092 [1,1,0,0,0,0|2,0,0]=4 3025 B10R1.25 C=Cc1cnc(cc1Cl)Cl 271570a_100011290941_100010200927 [1,1,0,0,0,0|2,0,0]=4 3026 B10R1.25 C=Cc1cnc(cc1Cl)N 271570a_100011290941_100000694920 [1,1,0,0,0,0|2,0,0]=4 3027 B10R1.25 C=Cc1cnc(cc1F)Cl 271570a_100011290941_100010128100 [1,1,0,0,0,0|2,0,0]=4 3028 B10R1.25 C=Cc1cnc(cc1F)N 271570a_100011290941_100009844730 [1,1,0,0,0,0|2,0,0]=4 3029 B10R1.25 C=Cc1cnc(cc1N)C 271570a_100011290941_100009817891 [1,1,0,0,0,0|2,0,0]=4 3030 B10R1.25 C=Cc1cnc(cc1N)N 271570a_100011290941_200009857908 [1,1,0,0,0,0|2,0,0]=4 3031 B10R1.25 C=Cc1cnc(cc1O)C 271570a_100011290941_100011016184 [1,1,0,0,0,0|2,0,0]=4 3032 B10R1.25 C=Cc1ncc(cc1Br)Cl 271570a_100011290941_100012154958 [1,1,0,0,0,0|2,0,0]=4 3033 B10R1.25 C=Cc1ncc(cc1C)Br 271570a_100011290941_100012353652 [1,1,0,0,0,0|2,0,0]=4 3034 B10R1.25 C=Cc1ncc(cc1C)C 271570a_100011290941_100009864548 [1,1,0,0,0,0|2,0,0]=4 3035 B10R1.25 C=Cc1ncc(cc1C)F 271570a_100011290941_100009817009 [1,1,0,0,0,0|2,0,0]=4 3036 B10R1.25 C=Cc1ncc(cc1C)N 271570a_100011290941_100000761747 [1,1,0,0,0,0|2,0,0]=4 3037 B10R1.25 C=Cc1ncc(cc1C)O 271570a_100011290941_100012000486 [1,1,0,0,0,0|1,0,0]=3 3038 B10R1.25 C=Cc1ncc(cc1F)Br 271570a_100011290941_100012348576 [1,1,0,0,0,0|2,0,0]=4 3039 B10R1.25 C=Cc1ncc(cc1F)C 271570a_100011290941_100009819633 [1,1,0,0,0,0|2,0,0]=4 3040 B10R1.25 C=Cc1ncc(cc1F)Cl 271570a_100011290941_100012348686 [1,1,0,0,0,0|2,0,0]=4 3041 B10R1.25 C=Cc1ncc(cc1F)F 271570a_100011290941_100011219543 [1,1,0,0,0,0|2,0,0]=4 3042 B10R1.25 C=Cc1ncc(cc1F)N 271570a_100011290941_100010280766 [1,1,0,0,0,0|2,0,0]=4 3043 B10R1.25 C=Cc1ncc(cc1F)O 271570a_100011290941_100000063512 [1,1,0,0,0,0|1,0,0]=3 3044 B10R1.25 C=Cc1ncc(cc1N)Br 271570a_100011290941_100010090555 [1,1,0,0,0,0|2,0,0]=4 3045 B10R1.25 C=Cc1ncc(cc1N)C 271570a_100011290941_100000733613 [1,1,0,0,0,0|2,0,0]=4 3046 B10R1.25 C=Cc1ncc(cc1N)F 271570a_100011290941_100009817643 [1,1,0,0,0,0|2,0,0]=4 3047 B10R1.25 C=Cc1ncc(cc1N)N 271570a_100011290941_200000093520 [1,1,0,0,0,0|2,0,0]=4 3048 B10R1.25 C=Cc1ncc(cc1O)Br 271570a_100011290941_100010210634 [1,1,0,0,0,0|2,0,0]=4 3049 B10R1.25 C=Cc1ncc(cc1O)C 271570a_100011290941_100012000487 [1,1,0,0,0,0|2,0,0]=4 3050 B10R1.25 C=Cc1ncc(cc1O)Cl 271570a_100011290941_100010233512 [1,1,0,0,0,0|2,0,0]=4 3051 B10R1.25 C=Cc1ncc(cc1O)F 271570a_100011290941_100000079967 [1,1,0,0,0,0|2,0,0]=4 3052 B10R1.25 CCc1ccc(cc1F)O 271570a_203496583355_200010071577 [1,1,0,0,0,0|0,0,1]=3 3053 B10R1.25 CCc1ccc(cc1N)O 271570a_203496583355_100012354963 [1,1,0,0,0,0|0,0,1]=3 3054 B10R1.25 CNc1ccc(cc1Br)O 34a_100012001276_200000210301 [1,1,0,0,0,0|1,0,1]=4 3055 B10R1.25 CNc1ccc(cc1C)O 271570a_203496583355_100000221803 [1,1,0,0,0,0|1,0,1]=4 3056 B10R1.25 CNc1ccc(cc1C)O 34a_100000756630_200000210301 [1,1,0,0,0,0|1,0,1]=4 3057 B10R1.25 CNc1ccc(cc1Cl)O 34a_100011215599_200000210301 [1,1,0,0,0,0|1,0,1]=4 3058 B10R1.25 CNc1ccc(cc1F)O 271570a_203496583355_100000743884 [1,1,0,0,0,0|1,0,1]=4 3059 B10R1.25 CNc1ccc(cc1F)O 34a_100000759473_200000210301 [1,1,0,0,0,0|1,0,1]=4 3060 B10R1.25 CNc1ccc(cc1I)O 34a_100010084370_200000210301 [1,1,0,0,0,0|1,0,1]=4 3061 B10R1.25 CNc1ccc(cc1N)O 271570a_203496583355_100000741790 [1,1,0,0,0,0|1,0,1]=4 3062 B10R1.25 CNc1ccc(cc1O)O 34a_100000106777_200000210301 [1,1,0,0,0,0|1,0,1]=4 3063 B10R1.25 COc1ccc(cc1Br)O 271570a_203496583355_100011249507 [1,1,0,0,0,0|1,0,1]=4 3064 B10R1.25 COc1ccc(cc1C)O 271570a_203496583355_100011219705 [1,1,0,0,0,0|1,0,1]=4 3065 B10R1.25 COc1ccc(cc1Cl)O 271570a_203496583355_100012355395 [1,1,0,0,0,0|1,0,1]=4 3066 B10R1.25 COc1ccc(cc1F)O 271570a_203496583355_100000185480 [1,1,0,0,0,0|1,0,1]=4 3067 B10R1.25 COc1ccc(cc1N)O 271570a_203496583355_100000743470 [1,1,0,0,0,0|1,0,1]=4 3068 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100009816560 [1,1,0,0,0,0|1,0,1]=4 3069 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100010084122 [1,1,0,0,0,0|1,0,1]=4 3070 B10R1.25 CSc1ccc(cc1Br)O 62a_100000701344_200000210301 [1,1,0,0,0,0|1,0,1]=4 3071 B10R1.25 CSc1ccc(cc1Br)O 62a_200000210301_100000701344 [1,1,0,0,0,0|1,0,1]=4 3072 B10R1.25 CSc1ccc(cc1C)O 62a_200000210301_100000690111 [1,1,0,0,0,0|1,0,1]=4 3073 B10R1.25 CSc1ccc(cc1Cl)O 271570a_203496583355_206447510565 [1,1,0,0,0,0|1,0,1]=4 3074 B10R1.25 CSc1ccc(cc1Cl)O 62a_100000047559_200000210301 [1,1,0,0,0,0|1,0,1]=4 3075 B10R1.25 CSc1ccc(cc1Cl)O 62a_200000210301_100000047559 [1,1,0,0,0,0|1,0,1]=4 3076 B10R1.25 CSc1ccc(cc1F)O 271570a_203496583355_100010161220 [1,1,0,0,0,0|1,0,1]=4 3077 B10R1.25 CSc1ccc(cc1F)O 62a_100000755031_200000210301 [1,1,0,0,0,0|1,0,1]=4 3078 B10R1.25 CSc1ccc(cc1F)O 62a_200000210301_100000755031 [1,1,0,0,0,0|1,0,1]=4 3079 B10R1.25 CSc1ccc(cc1N)O 62a_100011999798_200000210301 [1,1,0,0,0,0|1,0,1]=4 3080 B10R1.25 CSc1ccc(cc1N)O 62a_200000210301_100011999798 [1,1,0,0,0,0|1,0,1]=4 3081 B10R1.25 CSc1ccc(cc1O)O 62a_200000210301_100009813921 [1,1,0,0,0,0|1,0,1]=4 3082 B10R1.25 Cc1cc(ccc1C#N)O 271570a_203496583355_100000687762 [1,1,0,0,0,0|1,0,1]=4 3083 B10R1.25 Cc1cc(ccc1C=O)O 271570a_203496583355_100000687586 [1,1,0,0,0,0|1,0,0]=3 3084 B10R1.25 Cc1cc(ccc1CF)O 271570a_203496583355_200010711859 [1,1,0,0,0,0|1,0,0]=3 3085 B10R1.25 Cc1cc(ccc1CN)O 271570a_203496583355_100000753881 [1,1,0,0,0,0|1,0,0]=3 3086 B10R1.25 Cc1cc(ccc1CO)O 271570a_203496583355_100000748258 [1,1,0,0,0,0|1,0,0]=3 3087 B10R1.25 Cc1cc(ccc1NN)O 271570a_203496583355_100000751375 [1,1,0,0,0,0|2,0,0]=4 3088 B10R1.25 Cc1cc(ccc1N[13CH3])O 34a_100000756630_200025704644 [1,1,0,0,0,0|1,0,1]=4 3089 B10R1.25 Cc1cc(ccc1S[13CH3])O 62a_200025704644_100000690111 [1,1,0,0,0,0|1,0,1]=4 3090 B10R1.25 Cc1cc(cnc1C=O)O 271570a_203496583355_100010185443 [1,1,0,0,0,0|2,0,0]=4 3091 B10R1.25 Cc1cc(cnc1CO)O 271570a_203496583355_100010116297 [1,1,0,0,0,0|2,0,0]=4 3092 B10R1.25 Cc1cc(ncc1C=O)O 271570a_203496583355_100000085382 [1,1,0,0,0,0|2,0,0]=4 3093 B10R1.25 Cc1cc(ncc1CO)O 271570a_203496583355_100010277336 [1,1,0,0,0,0|2,0,0]=4 3094 B10R1.25 Cc1ccc(c(c1)O)C=O 271570a_203496583355_100000692596 [1,1,0,0,0,0|2,0,0]=4 3095 B10R1.25 Cc1nc(ccc1C=O)O 271570a_203496583355_100000050599 [1,1,0,0,0,0|2,0,0]=4 3096 B10R1.25 N#Cc1ccc(cc1Br)O 271570a_203496583355_100012349582 [1,1,0,0,0,0|1,0,1]=4 3097 B10R1.25 N#Cc1ccc(cc1Cl)O 271570a_203496583355_100012349662 [1,1,0,0,0,0|1,0,1]=4 3098 B10R1.25 N#Cc1ccc(cc1F)O 271570a_203496583355_100000037869 [1,1,0,0,0,0|1,0,1]=4 3099 B10R1.25 N#Cc1ccc(cc1N)O 271570a_203496583355_100000699244 [1,1,0,0,0,0|1,0,1]=4 3100 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100011934713 [1,1,0,0,0,0|1,0,1]=4 3101 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100012184851 [1,1,0,0,0,0|1,0,1]=4 3102 B10R1.25 NCc1ccc(cc1F)O 271570a_203496583355_100000754580 [1,1,0,0,0,0|1,0,0]=3 3103 B10R1.25 NCc1ccc(cc1O)F 271570a_203496583355_100000708791 [1,1,0,0,0,0|2,0,0]=4 3104 B10R1.25 NCc1ncc(cc1F)O 271570a_203496583355_100015188786 [1,1,0,0,0,0|2,0,0]=4 3105 B10R1.25 NNc1ccc(cc1F)O 271570a_203496583355_100000751572 [1,1,0,0,0,0|2,0,0]=4 3106 B10R1.25 Nc1cc(ccc1C=O)O 271570a_203496583355_100009814810 [1,1,0,0,0,0|1,0,0]=3 3107 B10R1.25 Nc1cc(ccc1CO)O 271570a_203496583355_100000718831 [1,1,0,0,0,0|1,0,0]=3 3108 B10R1.25 Nc1cc(ncc1CO)O 271570a_203496583355_100009830438 [1,1,0,0,0,0|2,0,0]=4 3109 B10R1.25 O=Cc1ccc(cc1Br)O 271570a_203496583355_100010185650 [1,1,0,0,0,0|1,0,0]=3 3110 B10R1.25 O=Cc1ccc(cc1Cl)O 271570a_203496583355_100000727542 [1,1,0,0,0,0|1,0,0]=3 3111 B10R1.25 O=Cc1ccc(cc1F)O 271570a_203496583355_100000211676 [1,1,0,0,0,0|1,0,0]=3 3112 B10R1.25 O=Cc1ccc(cc1O)Br 271570a_203496583355_100010146562 [1,1,0,0,0,0|2,0,0]=4 3113 B10R1.25 O=Cc1ccc(cc1O)F 271570a_203496583355_100000752949 [1,1,0,0,0,0|2,0,0]=4 3114 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011236494 [1,1,0,0,0,0|1,0,0]=3 3115 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011277552 [1,1,0,0,0,0|1,0,0]=3 3116 B10R1.25 O=Cc1ccc(nc1F)O 271570a_203496583355_100010064369 [1,1,0,0,0,0|2,0,0]=4 3117 B10R1.25 O=Cc1ncc(cc1F)O 271570a_203496583355_100010180630 [1,1,0,0,0,0|2,0,0]=4 3118 B10R1.25 OCc1ccc(cc1Br)O 271570a_203496583355_100010240206 [1,1,0,0,0,0|1,0,0]=3 3119 B10R1.25 OCc1ccc(cc1F)O 271570a_203496583355_100011191541 [1,1,0,0,0,0|1,0,0]=3 3120 B10R1.25 OCc1ccc(cc1O)Br 271570a_203496583355_100010146605 [1,1,0,0,0,0|2,0,0]=4 3121 B10R1.25 OCc1ccc(cc1O)Cl 271570a_203496583355_100000722340 [1,1,0,0,0,0|2,0,0]=4 3122 B10R1.25 OCc1ccc(cc1O)F 271570a_203496583355_100000744086 [1,1,0,0,0,0|2,0,0]=4 3123 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100000071718 [1,1,0,0,0,0|1,0,0]=3 3124 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100010146404 [1,1,0,0,0,0|1,0,0]=3 3125 B10R1.25 OCc1ccc(nc1F)O 271570a_203496583355_100009870654 [1,1,0,0,0,0|2,0,0]=4 3126 B10R1.25 OCc1ncc(cc1F)O 271570a_203496583355_100010065252 [1,1,0,0,0,0|2,0,0]=4 3127 B10R1.25 [13CH3]Nc1ccc(cc1Br)O 34a_100012001276_200025704644 [1,1,0,0,0,0|1,0,1]=4 3128 B10R1.25 [13CH3]Nc1ccc(cc1Cl)O 34a_100011215599_200025704644 [1,1,0,0,0,0|1,0,1]=4 3129 B10R1.25 [13CH3]Nc1ccc(cc1F)O 34a_100000759473_200025704644 [1,1,0,0,0,0|1,0,1]=4 3130 B10R1.25 [13CH3]Nc1ccc(cc1I)O 34a_100010084370_200025704644 [1,1,0,0,0,0|1,0,1]=4 3131 B10R1.25 [13CH3]Nc1ccc(cc1O)O 34a_100000106777_200025704644 [1,1,0,0,0,0|1,0,1]=4 3132 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_100000701344_200025704644 [1,1,0,0,0,0|1,0,1]=4 3133 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_200025704644_100000701344 [1,1,0,0,0,0|1,0,1]=4 3134 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_100000047559_200025704644 [1,1,0,0,0,0|1,0,1]=4 3135 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_200025704644_100000047559 [1,1,0,0,0,0|1,0,1]=4 3136 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_100000755031_200025704644 [1,1,0,0,0,0|1,0,1]=4 3137 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_200025704644_100000755031 [1,1,0,0,0,0|1,0,1]=4 3138 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_100011999798_200025704644 [1,1,0,0,0,0|1,0,1]=4 3139 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_200025704644_100011999798 [1,1,0,0,0,0|1,0,1]=4 3140 B10R1.25 [13CH3]Sc1ccc(cc1O)O 62a_200025704644_100009813921 [1,1,0,0,0,0|1,0,1]=4 3141 B10R1.176 C=Cc1c[nH]c(=O)c(c1)Br 271570a_100011290941_100010125443 [1,1,0,0,0,0|1,0,1]=4 3142 B10R1.176 C=Cc1c[nH]c(=O)c(c1)F 271570a_100011290941_100000723523 [1,1,0,0,0,0|1,0,1]=4 3143 B10R1.176 C=Cc1c[nH]c(=O)c(c1)O 271570a_100011290941_100009814561 [1,1,0,0,0,0|1,0,1]=4 3144 B10R1.176 C=Cc1cc(c(cn1)Br)C 271570a_100011290941_100012356354 [1,1,0,0,0,0|2,0,0]=4 3145 B10R1.176 C=Cc1cc(c(cn1)C)C 271570a_100011290941_100009850809 [1,1,0,0,0,0|2,0,0]=4 3146 B10R1.176 C=Cc1cc(c(cn1)C)F 271570a_100011290941_100009841206 [1,1,0,0,0,0|2,0,0]=4 3147 B10R1.176 C=Cc1cc(c(cn1)C)N 271570a_100011290941_100000690170 [1,1,0,0,0,0|2,0,0]=4 3148 B10R1.176 C=Cc1cc(c(cn1)C)O 271570a_100011290941_100000704368 [1,1,0,0,0,0|2,0,0]=4 3149 B10R1.176 C=Cc1cc(c(cn1)F)C 271570a_100011290941_100009818257 [1,1,0,0,0,0|2,0,0]=4 3150 B10R1.176 C=Cc1cc(c(cn1)F)N 271570a_100011290941_100000126464 [1,1,0,0,0,0|2,0,0]=4 3151 B10R1.176 C=Cc1cc(c(cn1)F)O 271570a_100011290941_100009854642 [1,1,0,0,0,0|2,0,0]=4 3152 B10R1.176 C=Cc1cc(c(cn1)N)C 271570a_100011290941_100000765520 [1,1,0,0,0,0|2,0,0]=4 3153 B10R1.176 C=Cc1cc(c(cn1)N)N 271570a_100011290941_100000067514 [1,1,0,0,0,0|2,0,0]=4 3154 B10R1.176 C=Cc1cc(c(cn1)O)C 271570a_100011290941_100000692680 [1,1,0,0,0,0|1,0,0]=3 3155 B10R1.176 C=Cc1cc(c(cn1)O)N 271570a_100011290941_100009819941 [1,1,0,0,0,0|1,0,0]=3 3156 B10R1.176 C=Cc1ccc(=O)n(c1)C 271570a_100011290941_100011245003 [1,1,0,0,0,0|1,0,1]=4 3157 B10R1.176 C=Cc1ccc([n+](c1)[O-])C 271570a_100011290941_100000703231 [1,1,0,0,0,0|2,0,0]=4 3158 B10R1.176 C=Cc1ccc(c(=S)[nH]1)N 271570a_100011290941_100116329207 [1,1,0,0,0,0|2,0,0]=4 3159 B10R1.176 C=Cc1ccc(c(c1)Br)Br 271570a_100011290941_100012356285 [1,1,0,0,0,0|1,0,0]=3 3160 B10R1.176 C=Cc1ccc(c(c1)Br)C 271570a_100011290941_100011847877 [1,1,0,0,0,0|1,0,0]=3 3161 B10R1.176 C=Cc1ccc(c(c1)Br)Cl 271570a_100011290941_100012353702 [1,1,0,0,0,0|1,0,0]=3 3162 B10R1.176 C=Cc1ccc(c(c1)Br)F 271570a_100011290941_100012047266 [1,1,0,0,0,0|1,0,0]=3 3163 B10R1.176 C=Cc1ccc(c(c1)Br)N 271570a_100011290941_100000750455 [1,1,0,0,0,0|1,0,0]=3 3164 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [1,1,0,0,0,0|0,0,0]=2 3165 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [1,1,0,0,0,0|1,0,0]=3 3166 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [1,1,0,0,0,0|1,0,0]=3 3167 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [1,1,0,0,0,0|1,0,0]=3 3168 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [1,1,0,0,0,0|1,0,0]=3 3169 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [1,1,0,0,0,0|1,0,0]=3 3170 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [1,1,0,0,0,0|0,0,0]=2 3171 B10R1.176 C=Cc1ccc(c(c1)Cl)Br 271570a_100011290941_100012047281 [1,1,0,0,0,0|1,0,0]=3 3172 B10R1.176 C=Cc1ccc(c(c1)Cl)C 271570a_100011290941_100011216363 [1,1,0,0,0,0|1,0,0]=3 3173 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl 271570a_100011290941_100011214914 [1,1,0,0,0,0|1,0,0]=3 3174 B10R1.176 C=Cc1ccc(c(c1)Cl)F 271570a_100011290941_100011215976 [1,1,0,0,0,0|1,0,0]=3 3175 B10R1.176 C=Cc1ccc(c(c1)Cl)N 271570a_100011290941_100011218065 [1,1,0,0,0,0|1,0,0]=3 3176 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [1,1,0,0,0,0|0,0,0]=2 3177 B10R1.176 C=Cc1ccc(c(c1)F)Br 271570a_100011290941_100000685389 [1,1,0,0,0,0|1,0,0]=3 3178 B10R1.176 C=Cc1ccc(c(c1)F)C 271570a_100011290941_100000720648 [1,1,0,0,0,0|1,0,0]=3 3179 B10R1.176 C=Cc1ccc(c(c1)F)Cl 271570a_100011290941_100011216805 [1,1,0,0,0,0|1,0,0]=3 3180 B10R1.176 C=Cc1ccc(c(c1)F)F 271570a_100011290941_100000750028 [1,1,0,0,0,0|1,0,0]=3 3181 B10R1.176 C=Cc1ccc(c(c1)F)N 271570a_100011290941_100011215594 [1,1,0,0,0,0|1,0,0]=3 3182 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [1,1,0,0,0,0|0,0,0]=2 3183 B10R1.176 C=Cc1ccc(c(c1)N)Br 271570a_100011290941_100000750456 [1,1,0,0,0,0|1,0,0]=3 3184 B10R1.176 C=Cc1ccc(c(c1)N)C 271570a_100011290941_100000761890 [1,1,0,0,0,0|1,0,0]=3 3185 B10R1.176 C=Cc1ccc(c(c1)N)Cl 271570a_100011290941_200000761891 [1,1,0,0,0,0|1,0,0]=3 3186 B10R1.176 C=Cc1ccc(c(c1)N)F 271570a_100011290941_100000740924 [1,1,0,0,0,0|1,0,0]=3 3187 B10R1.176 C=Cc1ccc(c(c1)N)N 271570a_100011290941_100000741789 [1,1,0,0,0,0|1,0,0]=3 3188 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [1,1,0,0,0,0|0,0,0]=2 3189 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [1,1,0,0,0,0|1,0,0]=3 3190 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [1,1,0,0,0,0|1,0,0]=3 3191 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [1,1,0,0,0,0|1,0,0]=3 3192 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [1,1,0,0,0,0|1,0,0]=3 3193 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [1,1,0,0,0,0|1,0,0]=3 3194 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [1,1,0,0,0,0|0,0,0]=2 3195 B10R1.176 C=Cc1ccc(c(n1)Br)O 271570a_100011290941_100000725334 [1,1,0,0,0,0|1,0,0]=3 3196 B10R1.176 C=Cc1ccc(c(n1)C)Br 271570a_100011290941_100012360386 [1,1,0,0,0,0|2,0,0]=4 3197 B10R1.176 C=Cc1ccc(c(n1)C)C 271570a_100011290941_100000103781 [1,1,0,0,0,0|2,0,0]=4 3198 B10R1.176 C=Cc1ccc(c(n1)C)F 271570a_100011290941_100009814307 [1,1,0,0,0,0|2,0,0]=4 3199 B10R1.176 C=Cc1ccc(c(n1)C)N 271570a_100011290941_100000760127 [1,1,0,0,0,0|2,0,0]=4 3200 B10R1.176 C=Cc1ccc(c(n1)C)O 271570a_100011290941_100010233687 [1,1,0,0,0,0|1,0,0]=3 3201 B10R1.176 C=Cc1ccc(c(n1)Cl)N 271570a_100011290941_200010233646 [1,1,0,0,0,0|2,0,0]=4 3202 B10R1.176 C=Cc1ccc(c(n1)Cl)O 271570a_100011290941_100000721234 [1,1,0,0,0,0|1,0,0]=3 3203 B10R1.176 C=Cc1ccc(c(n1)F)Br 271570a_100011290941_100010134343 [1,1,0,0,0,0|2,0,0]=4 3204 B10R1.176 C=Cc1ccc(c(n1)F)N 271570a_100011290941_100009856439 [1,1,0,0,0,0|2,0,0]=4 3205 B10R1.176 C=Cc1ccc(c(n1)F)O 271570a_100011290941_100009819667 [1,1,0,0,0,0|1,0,0]=3 3206 B10R1.176 C=Cc1ccc(c(n1)N)C 271570a_100011290941_100009857032 [1,1,0,0,0,0|2,0,0]=4 3207 B10R1.176 C=Cc1ccc(c(n1)N)F 271570a_100011290941_100016091773 [1,1,0,0,0,0|2,0,0]=4 3208 B10R1.176 C=Cc1ccc(c(n1)N)N 271570a_100011290941_100000747239 [1,1,0,0,0,0|2,0,0]=4 3209 B10R1.176 C=Cc1ccc(c(n1)N)O 271570a_100011290941_100000685527 [1,1,0,0,0,0|1,0,0]=3 3210 B10R1.176 C=Cc1ccc(c(n1)O)F 271570a_100011290941_100010729010 [1,1,0,0,0,0|2,0,0]=4 3211 B10R1.176 C=Cc1ccc(c(n1)O)N 271570a_100011290941_100000718904 [1,1,0,0,0,0|2,0,0]=4 3212 B10R1.176 C=Cc1ccn(c(=O)c1)C 271570a_100011290941_100009820031 [1,1,0,0,0,0|2,0,0]=4 3213 B10R1.176 C=Cc1cnc(c(c1)Br)Cl 271570a_100011290941_100010172733 [1,1,0,0,0,0|2,0,0]=4 3214 B10R1.176 C=Cc1cnc(c(c1)Br)N 271570a_100011290941_100012353989 [1,1,0,0,0,0|2,0,0]=4 3215 B10R1.176 C=Cc1cnc(c(c1)C)Br 271570a_100011290941_100009816107 [1,1,0,0,0,0|2,0,0]=4 3216 B10R1.176 C=Cc1cnc(c(c1)C)C 271570a_100011290941_100000697892 [1,1,0,0,0,0|2,0,0]=4 3217 B10R1.176 C=Cc1cnc(c(c1)C)Cl 271570a_100011290941_100009922867 [1,1,0,0,0,0|2,0,0]=4 3218 B10R1.176 C=Cc1cnc(c(c1)C)F 271570a_100011290941_100000709442 [1,1,0,0,0,0|2,0,0]=4 3219 B10R1.176 C=Cc1cnc(c(c1)C)N 271570a_100011290941_100000186686 [1,1,0,0,0,0|2,0,0]=4 3220 B10R1.176 C=Cc1cnc(c(c1)C)O 271570a_100011290941_100000685391 [1,1,0,0,0,0|1,0,0]=3 3221 B10R1.176 C=Cc1cnc(c(c1)Cl)N 271570a_100011290941_100012356299 [1,1,0,0,0,0|2,0,0]=4 3222 B10R1.176 C=Cc1cnc(c(c1)Cl)O 271570a_100011290941_100010238531 [1,1,0,0,0,0|1,0,0]=3 3223 B10R1.176 C=Cc1cnc(c(c1)F)C 271570a_100011290941_100009845756 [1,1,0,0,0,0|2,0,0]=4 3224 B10R1.176 C=Cc1cnc(c(c1)F)F 271570a_100011290941_100009817721 [1,1,0,0,0,0|2,0,0]=4 3225 B10R1.176 C=Cc1cnc(c(c1)F)N 271570a_100011290941_100000693161 [1,1,0,0,0,0|2,0,0]=4 3226 B10R1.176 C=Cc1cnc(c(c1)N)C 271570a_100011290941_100011999542 [1,1,0,0,0,0|2,0,0]=4 3227 B10R1.176 C=Cc1cnc(c(c1)N)Cl 271570a_100011290941_100009828400 [1,1,0,0,0,0|2,0,0]=4 3228 B10R1.176 C=Cc1cnc(c(c1)N)F 271570a_100011290941_100009816798 [1,1,0,0,0,0|2,0,0]=4 3229 B10R1.176 C=Cc1cnc(c(c1)N)N 271570a_100011290941_100000184470 [1,1,0,0,0,0|2,0,0]=4 3230 B10R1.176 C=Cc1cnc(c(c1)N)O 271570a_100011290941_100000743729 [1,1,0,0,0,0|1,0,0]=3 3231 B10R1.176 C=Cc1cnc(c(c1)O)C 271570a_100011290941_100009864810 [1,1,0,0,0,0|2,0,0]=4 3232 B10R1.176 C=Cc1cnc(c(c1)O)F 271570a_100011290941_100009819871 [1,1,0,0,0,0|2,0,0]=4 3233 B10R1.176 C=Cc1cnc(c(c1)O)N 271570a_100011290941_100009819042 [1,1,0,0,0,0|2,0,0]=4 3234 B10R1.176 CCc1ccc(c(c1)Br)O 271570a_203496583355_200009997437 [1,1,0,0,0,0|0,0,1]=3 3235 B10R1.176 CCc1ccc(c(c1)F)O 271570a_203496583355_200010339503 [1,1,0,0,0,0|0,0,1]=3 3236 B10R1.176 CCc1ccc(c(c1)O)F 271570a_203496583355_200010244628 [1,1,0,0,0,0|1,0,1]=4 3237 B10R1.176 CCc1ccc(c(c1)O)N 271570a_203496583355_100012339725 [1,1,0,0,0,0|1,0,1]=4 3238 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [1,1,0,0,0,0|0,0,1]=3 3239 B10R1.176 CNc1ccc(c(c1)Br)O 34a_100011534360_200000210301 [1,1,0,0,0,0|1,0,1]=4 3240 B10R1.176 CNc1ccc(c(c1)C)O 271570a_203496583355_100102888905 [1,1,0,0,0,0|1,0,1]=4 3241 B10R1.176 CNc1ccc(c(c1)C)O 34a_100011218179_200000210301 [1,1,0,0,0,0|1,0,1]=4 3242 B10R1.176 CNc1ccc(c(c1)C)O 7a_100011218179_200000210301 [1,1,0,0,0,0|1,0,1]=4 3243 B10R1.176 CNc1ccc(c(c1)Cl)O 34a_100000744943_200000210301 [1,1,0,0,0,0|1,0,1]=4 3244 B10R1.176 CNc1ccc(c(c1)F)O 271570a_203496583355_100012285320 [1,1,0,0,0,0|1,0,1]=4 3245 B10R1.176 CNc1ccc(c(c1)F)O 34a_100011220035_200000210301 [1,1,0,0,0,0|1,0,1]=4 3246 B10R1.176 CNc1ccc(c(c1)F)O 7a_100011220035_200000210301 [1,1,0,0,0,0|1,0,1]=4 3247 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [1,1,0,0,0,0|1,0,1]=4 3248 B10R1.176 COc1ccc(c(c1)Br)O 271570a_203496583355_100012349170 [1,1,0,0,0,0|1,0,1]=4 3249 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [1,1,0,0,0,0|1,0,1]=4 3250 B10R1.176 COc1ccc(c(c1)F)O 271570a_203496583355_100000753793 [1,1,0,0,0,0|1,0,1]=4 3251 B10R1.176 COc1ccc(c(c1)N)O 271570a_203496583355_100000748021 [1,1,0,0,0,0|1,0,1]=4 3252 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [1,1,0,0,0,0|1,0,1]=4 3253 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [1,1,0,0,0,0|1,0,1]=4 3254 B10R1.176 CSc1ccc(c(c1)Br)O 62a_100012361655_200000210301 [1,1,0,0,0,0|1,0,1]=4 3255 B10R1.176 CSc1ccc(c(c1)Br)O 62a_200000210301_100012361655 [1,1,0,0,0,0|1,0,1]=4 3256 B10R1.176 CSc1ccc(c(c1)C)O 62a_200000210301_100000186361 [1,1,0,0,0,0|1,0,1]=4 3257 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_100012360047_200000210301 [1,1,0,0,0,0|1,0,1]=4 3258 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_200000210301_100012360047 [1,1,0,0,0,0|1,0,1]=4 3259 B10R1.176 CSc1ccc(c(c1)F)O 271570a_203496583355_100009816902 [1,1,0,0,0,0|1,0,1]=4 3260 B10R1.176 CSc1ccc(c(c1)F)O 62a_100000185481_200000210301 [1,1,0,0,0,0|1,0,1]=4 3261 B10R1.176 CSc1ccc(c(c1)F)O 62a_200000210301_100000185481 [1,1,0,0,0,0|1,0,1]=4 3262 B10R1.176 CSc1ccc(c(c1)N)O 62a_100000752626_200000210301 [1,1,0,0,0,0|1,0,1]=4 3263 B10R1.176 CSc1ccc(c(c1)N)O 62a_200000210301_100000752626 [1,1,0,0,0,0|1,0,1]=4 3264 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [1,1,0,0,0,0|1,0,1]=4 3265 B10R1.176 Cc1cc(ccc1O)C#N 271570a_203496583355_100000212329 [1,1,0,0,0,0|1,0,1]=4 3266 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [1,1,0,0,0,0|1,0,0]=3 3267 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [1,1,0,0,0,0|1,0,0]=3 3268 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [1,1,0,0,0,0|1,0,0]=3 3269 B10R1.176 Cc1cc(ccc1O)NN 271570a_203496583355_100000745493 [1,1,0,0,0,0|2,0,0]=4 3270 B10R1.176 Cc1cc(ccc1O)N[13CH3] 34a_100011218179_200025704644 [1,1,0,0,0,0|1,0,1]=4 3271 B10R1.176 Cc1cc(ccc1O)N[13CH3] 7a_100011218179_200025704644 [1,1,0,0,0,0|1,0,1]=4 3272 B10R1.176 Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100000186361 [1,1,0,0,0,0|1,0,1]=4 3273 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [1,1,0,0,0,0|2,0,0]=4 3274 B10R1.176 Cc1cc(cnc1O)CO 271570a_203496583355_200000092119 [1,1,0,0,0,0|2,0,0]=4 3275 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [1,1,0,0,0,0|2,0,0]=4 3276 B10R1.176 Cc1cc(ncc1O)CO 271570a_203496583355_200010713146 [1,1,0,0,0,0|2,0,0]=4 3277 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [1,1,0,0,0,0|2,0,0]=4 3278 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [1,1,0,0,0,0|2,0,0]=4 3279 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [1,1,0,0,0,0|2,0,0]=4 3280 B10R1.176 Cc1nc(ccc1O)CO 271570a_203496583355_100010114280 [1,1,0,0,0,0|2,0,0]=4 3281 B10R1.176 N#Cc1ccc(c(c1)Br)O 271570a_203496583355_100012356348 [1,1,0,0,0,0|1,0,1]=4 3282 B10R1.176 N#Cc1ccc(c(c1)Cl)O 271570a_203496583355_100012349663 [1,1,0,0,0,0|1,0,1]=4 3283 B10R1.176 N#Cc1ccc(c(c1)F)O 271570a_203496583355_100011794375 [1,1,0,0,0,0|1,0,1]=4 3284 B10R1.176 N#Cc1ccc(c(c1)N)O 271570a_203496583355_100012001879 [1,1,0,0,0,0|1,0,1]=4 3285 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000724445 [1,1,0,0,0,0|1,0,1]=4 3286 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000725478 [1,1,0,0,0,0|1,0,1]=4 3287 B10R1.176 NCc1ccc(c(c1)F)O 271570a_203496583355_100000755036 [1,1,0,0,0,0|1,0,0]=3 3288 B10R1.176 NCc1ccc(c(c1)O)F 271570a_203496583355_100015193890 [1,1,0,0,0,0|2,0,0]=4 3289 B10R1.176 NNc1ccc(c(c1)F)O 271570a_203496583355_100016992936 [1,1,0,0,0,0|2,0,0]=4 3290 B10R1.176 Nc1cc(ccc1O)CO 271570a_203496583355_100012347568 [1,1,0,0,0,0|1,0,0]=3 3291 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [1,1,0,0,0,0|1,0,0]=3 3292 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [1,1,0,0,0,0|2,0,0]=4 3293 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [1,1,0,0,0,0|2,0,0]=4 3294 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [1,1,0,0,0,0|2,0,0]=4 3295 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [1,1,0,0,0,0|1,0,0]=3 3296 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [1,1,0,0,0,0|1,0,0]=3 3297 B10R1.176 O=Cc1cnc(c(c1)F)O 271570a_203496583355_100009866847 [1,1,0,0,0,0|2,0,0]=4 3298 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [1,1,0,0,0,0|2,0,0]=4 3299 B10R1.176 OCc1ccc(c(c1)Cl)O 271570a_203496583355_100000718186 [1,1,0,0,0,0|1,0,0]=3 3300 B10R1.176 OCc1ccc(c(c1)F)O 271570a_203496583355_100011533735 [1,1,0,0,0,0|1,0,0]=3 3301 B10R1.176 OCc1ccc(c(c1)O)F 271570a_203496583355_100000246287 [1,1,0,0,0,0|2,0,0]=4 3302 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [1,1,0,0,0,0|1,0,0]=3 3303 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [1,1,0,0,0,0|1,0,0]=3 3304 B10R1.176 OCc1ccc(c(n1)O)O 271570a_203496583355_200000118097 [1,1,0,0,0,0|2,0,0]=4 3305 B10R1.176 OCc1cnc(c(c1)F)O 271570a_203496583355_100010065243 [1,1,0,0,0,0|2,0,0]=4 3306 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)O 34a_100011534360_200025704644 [1,1,0,0,0,0|1,0,1]=4 3307 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)O 34a_100000744943_200025704644 [1,1,0,0,0,0|1,0,1]=4 3308 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 34a_100011220035_200025704644 [1,1,0,0,0,0|1,0,1]=4 3309 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 7a_100011220035_200025704644 [1,1,0,0,0,0|1,0,1]=4 3310 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [1,1,0,0,0,0|1,0,1]=4 3311 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_100012361655_200025704644 [1,1,0,0,0,0|1,0,1]=4 3312 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_200025704644_100012361655 [1,1,0,0,0,0|1,0,1]=4 3313 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_100012360047_200025704644 [1,1,0,0,0,0|1,0,1]=4 3314 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_200025704644_100012360047 [1,1,0,0,0,0|1,0,1]=4 3315 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_100000185481_200025704644 [1,1,0,0,0,0|1,0,1]=4 3316 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_200025704644_100000185481 [1,1,0,0,0,0|1,0,1]=4 3317 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_100000752626_200025704644 [1,1,0,0,0,0|1,0,1]=4 3318 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_200025704644_100000752626 [1,1,0,0,0,0|1,0,1]=4 3319 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [1,1,0,0,0,0|1,0,1]=4 3320 B10R1.4 C=C=Cc1ccccc1Br 271570a_100015277604_100000695589 [1,1,0,0,0,0|0,0,2]=4 3321 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [1,1,0,0,0,0|0,0,2]=4 3322 B10R1.4 C=C=Cc1ccccc1Cl 271570a_100015277604_100000764095 [1,1,0,0,0,0|0,0,2]=4 3323 B10R1.4 C=C=Cc1ccccc1F 271570a_100015277604_100011215700 [1,1,0,0,0,0|0,0,2]=4 3324 B10R1.4 C=C=Cc1ccccc1N 271570a_100015277604_100000210017 [1,1,0,0,0,0|0,0,2]=4 3325 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,1,0,0,0,0|0,0,2]=4 3326 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|0,0,0]=2 3327 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|0,0,2]=4 3328 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|0,0,2]=4 3329 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|0,0,2]=4 3330 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|0,0,2]=4 3331 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|0,0,2]=4 3332 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|0,0,2]=4 3333 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|1,0,1]=4 3334 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|1,0,1]=4 3335 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|1,0,1]=4 3336 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|1,0,1]=4 3337 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|1,0,1]=4 3338 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|1,0,1]=4 3339 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|1,0,1]=4 3340 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|1,0,1]=4 3341 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|1,0,1]=4 3342 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|1,0,1]=4 3343 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|1,0,1]=4 3344 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|1,0,1]=4 3345 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|1,0,1]=4 3346 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|1,0,1]=4 3347 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|1,0,1]=4 3348 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|1,0,1]=4 3349 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|1,0,1]=4 3350 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|1,0,1]=4 3351 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|1,0,1]=4 3352 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|1,0,1]=4 3353 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|1,0,1]=4 3354 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|1,0,1]=4 3355 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|1,0,1]=4 3356 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|1,0,1]=4 3357 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|1,0,1]=4 3358 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|1,0,1]=4 3359 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|1,0,1]=4 3360 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|1,0,1]=4 3361 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|1,0,1]=4 3362 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|1,0,1]=4 3363 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|1,0,1]=4 3364 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|1,0,1]=4 3365 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|1,0,1]=4 3366 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|1,0,1]=4 3367 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|1,0,1]=4 3368 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|1,0,1]=4 3369 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|1,0,1]=4 3370 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|1,0,1]=4 3371 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|1,0,1]=4 3372 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|1,0,1]=4 3373 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|1,0,1]=4 3374 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|1,0,1]=4 3375 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|1,0,1]=4 3376 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|1,0,1]=4 3377 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|1,0,1]=4 3378 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|1,0,1]=4 3379 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|1,0,1]=4 3380 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|1,0,1]=4 3381 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|1,0,1]=4 3382 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|1,0,1]=4 3383 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|1,0,1]=4 3384 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|1,0,1]=4 3385 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|1,0,1]=4 3386 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|1,0,1]=4 3387 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|1,0,1]=4 3388 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|1,0,1]=4 3389 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|1,0,1]=4 3390 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|1,0,1]=4 3391 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|1,0,1]=4 3392 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|1,0,1]=4 3393 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|1,0,1]=4 3394 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|1,0,1]=4 3395 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|1,0,1]=4 3396 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|1,0,1]=4 3397 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|1,0,1]=4 3398 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|1,0,1]=4 3399 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|1,0,1]=4 3400 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|1,0,1]=4 3401 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,1,0,0,0,0|1,0,1]=4 3402 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,1,0,0,0,0|1,0,1]=4 3403 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,1,0,0,0,0|2,0,0]=4 3404 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|1,0,1]=4 3405 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|1,0,1]=4 3406 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|1,0,1]=4 3407 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|1,0,1]=4 3408 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|1,0,1]=4 3409 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|1,0,1]=4 3410 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|1,0,1]=4 3411 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|1,0,1]=4 3412 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|1,0,1]=4 3413 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|1,0,1]=4 3414 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|1,0,1]=4 3415 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|1,0,1]=4 3416 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|1,0,1]=4 3417 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|1,0,1]=4 3418 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|1,0,1]=4 3419 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|1,0,1]=4 3420 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|1,0,1]=4 3421 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|1,0,1]=4 3422 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|1,0,1]=4 3423 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|1,0,1]=4 3424 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|1,0,1]=4 3425 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|1,0,1]=4 3426 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|1,0,1]=4 3427 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|1,0,1]=4 3428 B10R1.10 C=C=Cc1cccc(c1)Br 271570a_100015277604_100000691529 [1,1,0,0,0,0|0,0,2]=4 3429 B10R1.10 C=C=Cc1cccc(c1)C 271570a_100015277604_100011215228 [1,1,0,0,0,0|0,0,2]=4 3430 B10R1.10 C=C=Cc1cccc(c1)Cl 271570a_100015277604_100000699651 [1,1,0,0,0,0|0,0,2]=4 3431 B10R1.10 C=C=Cc1cccc(c1)F 271570a_100015277604_100000685547 [1,1,0,0,0,0|0,0,2]=4 3432 B10R1.10 C=C=Cc1cccc(c1)N 271570a_100015277604_100000210019 [1,1,0,0,0,0|0,0,2]=4 3433 B10R1.10 C=C=Cc1cccc(c1)O 271570a_100015277604_100000211634 [1,1,0,0,0,0|0,0,2]=4 3434 B10R1.10 C=C=Cc1cccc(c1)[S] 271570a_100015277604_114929384022 [1,1,0,0,0,0|0,0,2]=4 3435 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,1,0,0,0,0|0,0,0]=2 3436 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|0,0,2]=4 3437 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|0,0,2]=4 3438 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|0,0,2]=4 3439 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|0,0,2]=4 3440 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|0,0,2]=4 3441 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|0,0,2]=4 3442 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|0,0,2]=4 3443 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|0,0,2]=4 3444 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|1,0,1]=4 3445 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|1,0,1]=4 3446 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|1,0,1]=4 3447 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|1,0,1]=4 3448 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|1,0,1]=4 3449 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|1,0,1]=4 3450 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|1,0,1]=4 3451 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|1,0,1]=4 3452 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|1,0,1]=4 3453 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|1,0,1]=4 3454 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|1,0,1]=4 3455 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|1,0,1]=4 3456 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|1,0,1]=4 3457 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|1,0,1]=4 3458 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|1,0,1]=4 3459 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|1,0,1]=4 3460 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|1,0,1]=4 3461 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|1,0,1]=4 3462 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|1,0,1]=4 3463 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|1,0,1]=4 3464 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|1,0,1]=4 3465 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|1,0,1]=4 3466 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|1,0,1]=4 3467 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|1,0,1]=4 3468 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|1,0,1]=4 3469 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|1,0,1]=4 3470 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|1,0,1]=4 3471 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|1,0,1]=4 3472 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|1,0,1]=4 3473 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|1,0,1]=4 3474 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|1,0,1]=4 3475 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|1,0,1]=4 3476 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|1,0,1]=4 3477 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|1,0,1]=4 3478 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|1,0,1]=4 3479 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|1,0,1]=4 3480 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|1,0,1]=4 3481 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|1,0,1]=4 3482 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|1,0,1]=4 3483 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|1,0,1]=4 3484 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|1,0,1]=4 3485 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|1,0,1]=4 3486 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|1,0,1]=4 3487 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|1,0,1]=4 3488 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|1,0,1]=4 3489 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|1,0,1]=4 3490 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|1,0,1]=4 3491 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|1,0,1]=4 3492 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|1,0,1]=4 3493 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|1,0,1]=4 3494 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|1,0,1]=4 3495 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|1,0,1]=4 3496 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|1,0,1]=4 3497 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|1,0,1]=4 3498 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|1,0,1]=4 3499 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|1,0,1]=4 3500 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|1,0,1]=4 3501 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|1,0,1]=4 3502 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|1,0,1]=4 3503 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|1,0,1]=4 3504 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|1,0,1]=4 3505 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|1,0,1]=4 3506 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [1,1,0,0,0,0|1,0,1]=4 3507 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [1,1,0,0,0,0|1,0,1]=4 3508 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [1,1,0,0,0,0|1,0,1]=4 3509 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [1,1,0,0,0,0|1,0,1]=4 3510 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [1,1,0,0,0,0|1,0,1]=4 3511 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [1,1,0,0,0,0|1,0,1]=4 3512 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [1,1,0,0,0,0|1,0,1]=4 3513 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [1,1,0,0,0,0|1,0,1]=4 3514 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [1,1,0,0,0,0|1,0,1]=4 3515 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [1,1,0,0,0,0|1,0,1]=4 3516 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|1,0,1]=4 3517 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|1,0,1]=4 3518 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|1,0,1]=4 3519 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|1,0,1]=4 3520 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|1,0,1]=4 3521 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|1,0,1]=4 3522 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [1,1,0,0,0,0|1,0,1]=4 3523 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [1,1,0,0,0,0|1,0,1]=4 3524 B10R1.10 N#CCc1cccc(c1)O 271570a_203496583355_100000034040 [1,1,0,0,0,0|1,0,1]=4 3525 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [1,1,0,0,0,0|1,0,1]=4 3526 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [1,1,0,0,0,0|2,0,0]=4 3527 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|1,0,0]=3 3528 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|1,0,1]=4 3529 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|1,0,1]=4 3530 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|1,0,1]=4 3531 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|1,0,1]=4 3532 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|1,0,1]=4 3533 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|1,0,1]=4 3534 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|1,0,1]=4 3535 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|1,0,1]=4 3536 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|1,0,1]=4 3537 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|1,0,1]=4 3538 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|1,0,1]=4 3539 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|1,0,1]=4 3540 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|1,0,1]=4 3541 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|1,0,1]=4 3542 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|1,0,1]=4 3543 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|1,0,1]=4 3544 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|1,0,1]=4 3545 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|1,0,1]=4 3546 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|1,0,1]=4 3547 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|1,0,1]=4 3548 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [1,1,0,0,0,0|1,0,1]=4 3549 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [1,1,0,0,0,0|1,0,1]=4 3550 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [1,1,0,0,0,0|1,0,1]=4 3551 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [1,1,0,0,0,0|1,0,1]=4 3552 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [1,1,0,0,0,0|1,0,1]=4 3553 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [1,1,0,0,0,0|1,0,1]=4 3554 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [1,1,0,0,0,0|1,0,1]=4 3555 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [1,1,0,0,0,0|1,0,1]=4 3556 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|1,0,1]=4 3557 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|1,0,1]=4 3558 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,1,0,0,0,0|1,0,1]=4 3559 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,1,0,0,0,0|1,0,1]=4 3560 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,1,0,0,0,0|1,0,1]=4 3561 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,1,0,0,0,0|1,0,1]=4 3562 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,1,0,0,0,0|1,0,1]=4 3563 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,1,0,0,0,0|1,0,1]=4 3564 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,1,0,0,0,0|1,0,1]=4 3565 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,1,0,0,0,0|1,0,1]=4 3566 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,1,0,0,0,0|1,0,1]=4 3567 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,1,0,0,0,0|1,0,1]=4 3568 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,1,0,0,0,0|1,0,1]=4 3569 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,1,0,0,0,0|1,0,1]=4 3570 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,1,0,0,0,0|1,0,1]=4 3571 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,1,0,0,0,0|1,0,1]=4 3572 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,1,0,0,0,0|1,0,1]=4 3573 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [1,1,0,0,0,0|0,0,2]=4 3574 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [1,1,0,0,0,0|0,0,2]=4 3575 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [1,1,0,0,0,0|0,0,2]=4 3576 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [1,1,0,0,0,0|0,0,2]=4 3577 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,1,0,0,0,0|0,0,0]=2 3578 B10R1.17 C=CCNc1cccnn1 27a_100020586998_100016991348 [1,1,0,0,0,0|2,0,0]=4 3579 B10R1.17 C=CCNc1ccncn1 27a_100020586998_100000703185 [1,1,0,0,0,0|2,0,0]=4 3580 B10R1.17 C=CCNc1cnccn1 27a_100020586998_100000211759 [1,1,0,0,0,0|2,0,0]=4 3581 B10R1.17 C=CCNc1ncccn1 27a_100020586998_100000211032 [1,1,0,0,0,0|2,0,0]=4 3582 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,1,0,0,0,0|0,0,0]=2 3583 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,1,0,0,0,0|0,0,0]=2 3584 B10R1.17 C=CCOc1cccnc1 34a_100000210849_100015514636 [1,1,0,0,0,0|1,0,0]=3 3585 B10R1.17 C=CCOc1cccnc1 7a_100000210849_100015514636 [1,1,0,0,0,0|1,0,0]=3 3586 B10R1.17 C=CCOc1ccncc1 34a_100000212176_100015514636 [1,1,0,0,0,0|1,0,0]=3 3587 B10R1.17 C=CCOc1ccnnc1 34a_100015204005_100015514636 [1,1,0,0,0,0|2,0,0]=4 3588 B10R1.17 C=CCOc1cncnc1 7a_100000754086_100015514636 [1,1,0,0,0,0|2,0,0]=4 3589 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,1,0,0,0,0|0,0,0]=2 3590 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,1,0,0,0,0|0,0,0]=2 3591 B10R1.17 C=CCSc1ccccn1 62a_100000210623_100011216584 [1,1,0,0,0,0|1,0,0]=3 3592 B10R1.17 C=CCSc1ccccn1 62a_100011216584_100000210623 [1,1,0,0,0,0|1,0,0]=3 3593 B10R1.17 C=CCSc1cccnc1 62a_100000210063_100000210623 [1,1,0,0,0,0|1,0,0]=3 3594 B10R1.17 C=CCSc1cccnc1 62a_100000210623_100000210063 [1,1,0,0,0,0|1,0,0]=3 3595 B10R1.17 C=CCSc1cccnn1 62a_100000210623_100016991348 [1,1,0,0,0,0|2,0,0]=4 3596 B10R1.17 C=CCSc1cccnn1 62a_100016991348_100000210623 [1,1,0,0,0,0|2,0,0]=4 3597 B10R1.17 C=CCSc1ccncc1 62a_100000210623_100000728582 [1,1,0,0,0,0|1,0,0]=3 3598 B10R1.17 C=CCSc1ccncc1 62a_100000728582_100000210623 [1,1,0,0,0,0|1,0,0]=3 3599 B10R1.17 C=CCSc1ccncn1 62a_100000210623_100000703185 [1,1,0,0,0,0|2,0,0]=4 3600 B10R1.17 C=CCSc1ccncn1 62a_100000703185_100000210623 [1,1,0,0,0,0|2,0,0]=4 3601 B10R1.17 C=CCSc1ccnnc1 62a_100000210623_100000732662 [1,1,0,0,0,0|2,0,0]=4 3602 B10R1.17 C=CCSc1ccnnc1 62a_100000732662_100000210623 [1,1,0,0,0,0|2,0,0]=4 3603 B10R1.17 C=CCSc1cnccn1 62a_100000210623_100000211759 [1,1,0,0,0,0|2,0,0]=4 3604 B10R1.17 C=CCSc1cnccn1 62a_100000211759_100000210623 [1,1,0,0,0,0|2,0,0]=4 3605 B10R1.17 C=CCSc1cncnc1 62a_100000210623_100011206942 [1,1,0,0,0,0|2,0,0]=4 3606 B10R1.17 C=CCSc1cncnc1 62a_100011206942_100000210623 [1,1,0,0,0,0|2,0,0]=4 3607 B10R1.17 C=CCSc1ncccn1 62a_100000210623_100000211032 [1,1,0,0,0,0|2,0,0]=4 3608 B10R1.17 C=CCSc1ncccn1 62a_100000211032_100000210623 [1,1,0,0,0,0|2,0,0]=4 3609 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,1,0,0,0,0|1,0,1]=4 3610 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,1,0,0,0,0|0,0,2]=4 3611 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,1,0,0,0,0|0,0,2]=4 3612 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,1,0,0,0,0|0,0,2]=4 3613 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,1,0,0,0,0|0,0,2]=4 3614 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,1,0,0,0,0|0,0,2]=4 3615 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,1,0,0,0,0|0,0,2]=4 3616 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,1,0,0,0,0|0,0,2]=4 3617 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,1,0,0,0,0|0,0,2]=4 3618 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,1,0,0,0,0|0,0,2]=4 3619 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,1,0,0,0,0|0,0,2]=4 3620 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,1,0,0,0,0|0,0,2]=4 3621 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,1,0,0,0,0|0,0,2]=4 3622 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,1,0,0,0,0|0,0,2]=4 3623 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,1,0,0,0,0|0,0,2]=4 3624 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,1,0,0,0,0|0,0,2]=4 3625 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,1,0,0,0,0|0,0,2]=4 3626 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,1,0,0,0,0|0,0,2]=4 3627 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,1,0,0,0,0|0,0,2]=4 3628 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,1,0,0,0,0|0,0,2]=4 3629 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,1,0,0,0,0|0,0,2]=4 3630 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,1,0,0,0,0|0,0,2]=4 3631 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,1,0,0,0,0|1,0,1]=4 3632 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,1,0,0,0,0|0,0,2]=4 3633 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,1,0,0,0,0|0,0,2]=4 3634 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,1,0,0,0,0|0,0,2]=4 3635 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,1,0,0,0,0|1,0,1]=4 3636 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,1,0,0,0,0|1,0,1]=4 3637 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,1,0,0,0,0|0,0,2]=4 3638 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,1,0,0,0,0|0,0,2]=4 3639 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,1,0,0,0,0|1,0,1]=4 3640 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,1,0,0,0,0|1,0,1]=4 3641 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,1,0,0,0,0|1,0,1]=4 3642 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,1,0,0,0,0|1,0,1]=4 3643 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,1,0,0,0,0|1,0,1]=4 3644 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,1,0,0,0,0|1,0,1]=4 3645 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,1,0,0,0,0|1,0,1]=4 3646 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,1,0,0,0,0|1,0,1]=4 3647 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,1,0,0,0,0|1,0,1]=4 3648 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,1,0,0,0,0|1,0,1]=4 3649 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,1,0,0,0,0|1,0,1]=4 3650 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,1,0,0,0,0|1,0,1]=4 3651 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,1,0,0,0,0|1,0,1]=4 3652 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,1,0,0,0,0|1,0,1]=4 3653 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,1,0,0,0,0|1,0,1]=4 3654 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,1,0,0,0,0|1,0,1]=4 3655 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [1,1,0,0,0,0|1,0,1]=4 3656 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [1,1,0,0,0,0|1,0,1]=4 3657 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [1,1,0,0,0,0|1,0,1]=4 3658 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,1,0,0,0,0|1,0,0]=3 3659 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,1,0,0,0,0|1,0,0]=3 3660 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,1,0,0,0,0|1,0,0]=3 3661 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [1,1,0,0,0,0|2,0,0]=4 3662 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [1,1,0,0,0,0|2,0,0]=4 3663 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [1,1,0,0,0,0|2,0,0]=4 3664 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,1,0,0,0,0|1,0,0]=3 3665 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,1,0,0,0,0|1,0,0]=3 3666 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [1,1,0,0,0,0|2,0,0]=4 3667 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [1,1,0,0,0,0|2,0,0]=4 3668 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [1,1,0,0,0,0|2,0,0]=4 3669 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [1,1,0,0,0,0|2,0,0]=4 3670 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [1,1,0,0,0,0|2,0,0]=4 3671 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [1,1,0,0,0,0|2,0,0]=4 3672 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,1,0,0,0,0|1,0,1]=4 3673 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,1,0,0,0,0|1,0,1]=4 3674 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,1,0,0,0,0|1,0,1]=4 3675 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,1,0,0,0,0|1,0,1]=4 3676 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,1,0,0,0,0|1,0,1]=4 3677 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,1,0,0,0,0|0,0,2]=4 3678 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,1,0,0,0,0|0,0,2]=4 3679 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,1,0,0,0,0|0,0,2]=4 3680 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,1,0,0,0,0|0,0,2]=4 3681 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,1,0,0,0,0|0,0,2]=4 3682 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,1,0,0,0,0|0,0,2]=4 3683 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,1,0,0,0,0|1,0,1]=4 3684 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,1,0,0,0,0|1,0,1]=4 3685 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,1,0,0,0,0|0,0,2]=4 3686 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,1,0,0,0,0|1,0,1]=4 3687 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,1,0,0,0,0|0,0,1]=3 3688 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,1,0,0,0,0|1,0,1]=4 3689 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,1,0,0,0,0|1,0,1]=4 3690 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,1,0,0,0,0|1,0,1]=4 3691 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,1,0,0,0,0|1,0,1]=4 3692 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,1,0,0,0,0|1,0,1]=4 3693 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,1,0,0,0,0|1,0,1]=4 3694 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,1,0,0,0,0|1,0,1]=4 3695 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,1,0,0,0,0|1,0,1]=4 3696 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,1,0,0,0,0|1,0,1]=4 3697 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,1,0,0,0,0|1,0,1]=4 3698 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,1,0,0,0,0|1,0,1]=4 3699 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,1,0,0,0,0|1,0,1]=4 3700 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,1,0,0,0,0|1,0,1]=4 3701 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,1,0,0,0,0|1,0,1]=4 3702 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,1,0,0,0,0|1,0,1]=4 3703 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,1,0,0,0,0|1,0,1]=4 3704 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,1,0,0,0,0|1,0,1]=4 3705 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,1,0,0,0,0|1,0,1]=4 3706 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,1,0,0,0,0|1,0,1]=4 3707 B10R1.16 C=CCSc1cc(cs1)C 62a_100000210623_100009876951 [0,1,0,0,1,0|2,0,0]=4 3708 B10R1.16 C=CCSc1cc(cs1)C 62a_100009876951_100000210623 [0,1,0,0,1,0|2,0,0]=4 3709 B10R1.16 C=CCSc1ccc(s1)Br 62a_100000210623_100010197418 [0,1,0,0,1,0|2,0,0]=4 3710 B10R1.16 C=CCSc1ccc(s1)Br 62a_100010197418_100000210623 [0,1,0,0,1,0|2,0,0]=4 3711 B10R1.16 C=CCSc1ccc(s1)C 62a_100000031368_100000210623 [0,1,0,0,1,0|2,0,0]=4 3712 B10R1.16 C=CCSc1ccc(s1)C 62a_100000210623_100000031368 [0,1,0,0,1,0|2,0,0]=4 3713 B10R1.16 C=CCSc1csc(c1)C 62a_100000210623_100000759034 [0,1,0,0,1,0|2,0,0]=4 3714 B10R1.16 C=CCSc1csc(c1)C 62a_100000759034_100000210623 [0,1,0,0,1,0|2,0,0]=4 3715 B12R1.1 C#CCCNc1ccc(cc1)O 34a_100000185829_100000688953 [0,2,0,0,0,0|0,0,2]=4 3716 B12R1.1 C#CCCSc1ccc(cc1)O 62a_100000688953_100000185759 [0,2,0,0,0,0|0,0,2]=4 3717 B12R1.1 C#CCNCc1ccc(cc1)O 34a_100000185549_100000184674 [0,2,0,0,0,0|0,0,2]=4 3718 B12R1.1 C/C=C/CNc1ccc(cc1)Br 34a_100000210018_100102629194 [0,2,0,0,0,0|1,0,0]=3 3719 B12R1.1 C/C=C/CNc1ccc(cc1)C 34a_100000124888_100102629194 [0,2,0,0,0,0|1,0,0]=3 3720 B12R1.1 C/C=C/CNc1ccc(cc1)Cl 34a_100000210052_100102629194 [0,2,0,0,0,0|1,0,0]=3 3721 B12R1.1 C/C=C/CNc1ccc(cc1)F 34a_100000185862_100102629194 [0,2,0,0,0,0|1,0,0]=3 3722 B12R1.1 C/C=C/CNc1ccc(cc1)I 34a_100000185761_100102629194 [0,2,0,0,0,0|1,0,0]=3 3723 B12R1.1 C/C=C/CNc1ccc(cc1)O 34a_100000185829_100102629194 [0,2,0,0,0,0|0,0,0]=2 3724 B12R1.1 C/C=C/COc1ccc(=O)[nH]c1 34a_100000075641_100102629194 [0,2,0,0,0,0|1,0,1]=4 3725 B12R1.1 C/C=C/COc1ccc(cc1)Br 34a_100000185759_100102629194 [0,2,0,0,0,0|1,0,0]=3 3726 B12R1.1 C/C=C/COc1ccc(cc1)Br 7a_100000185759_100102629194 [0,2,0,0,0,0|1,0,0]=3 3727 B12R1.1 C/C=C/COc1ccc(cc1)C 34a_100000210336_100102629194 [0,2,0,0,0,0|1,0,0]=3 3728 B12R1.1 C/C=C/COc1ccc(cc1)C 7a_100000210336_100102629194 [0,2,0,0,0,0|1,0,0]=3 3729 B12R1.1 C/C=C/COc1ccc(cc1)Cl 34a_100000210216_100102629194 [0,2,0,0,0,0|1,0,0]=3 3730 B12R1.1 C/C=C/COc1ccc(cc1)Cl 7a_100000210216_100102629194 [0,2,0,0,0,0|1,0,0]=3 3731 B12R1.1 C/C=C/COc1ccc(cc1)F 34a_100000210339_100102629194 [0,2,0,0,0,0|1,0,0]=3 3732 B12R1.1 C/C=C/COc1ccc(cc1)I 34a_100000212066_100102629194 [0,2,0,0,0,0|1,0,0]=3 3733 B12R1.1 C/C=C/COc1ccc(cc1)I 7a_100000212066_100102629194 [0,2,0,0,0,0|1,0,0]=3 3734 B12R1.1 C/C=C/COc1ccc(cc1)N 34a_100000185829_100102629194 [0,2,0,0,0,0|1,0,0]=3 3735 B12R1.1 C/C=C/COc1ccc(cn1)C 34a_100000759353_100102629194 [0,2,0,0,0,0|2,0,0]=4 3736 B12R1.1 C/C=C/COc1ccc(cn1)Cl 34a_100011215309_100102629194 [0,2,0,0,0,0|2,0,0]=4 3737 B12R1.1 C/C=C/COc1ccc(cn1)F 34a_100000742473_100102629194 [0,2,0,0,0,0|2,0,0]=4 3738 B12R1.1 C/C=C/COc1ccc(cn1)N 34a_100000729260_100102629194 [0,2,0,0,0,0|2,0,0]=4 3739 B12R1.1 C/C=C/COc1ccc(nc1)Br 34a_100000685995_100102629194 [0,2,0,0,0,0|2,0,0]=4 3740 B12R1.1 C/C=C/COc1ccc(nc1)Br 7a_100000685995_100102629194 [0,2,0,0,0,0|2,0,0]=4 3741 B12R1.1 C/C=C/COc1ccc(nc1)C 34a_100000745506_100102629194 [0,2,0,0,0,0|2,0,0]=4 3742 B12R1.1 C/C=C/COc1ccc(nc1)C 7a_100000745506_100102629194 [0,2,0,0,0,0|2,0,0]=4 3743 B12R1.1 C/C=C/COc1ccc(nc1)Cl 34a_100000744096_100102629194 [0,2,0,0,0,0|2,0,0]=4 3744 B12R1.1 C/C=C/COc1ccc(nc1)Cl 7a_100000744096_100102629194 [0,2,0,0,0,0|2,0,0]=4 3745 B12R1.1 C/C=C/COc1ccc(nc1)F 34a_100000688820_100102629194 [0,2,0,0,0,0|2,0,0]=4 3746 B12R1.1 C/C=C/COc1ccc(nc1)F 7a_100000688820_100102629194 [0,2,0,0,0,0|2,0,0]=4 3747 B12R1.1 C/C=C/COc1ccc(nc1)I 34a_100000687607_100102629194 [0,2,0,0,0,0|2,0,0]=4 3748 B12R1.1 C/C=C/COc1ccc(nc1)I 7a_100000687607_100102629194 [0,2,0,0,0,0|2,0,0]=4 3749 B12R1.1 C/C=C/COc1ccc(nc1)N 34a_100015188713_100102629194 [0,2,0,0,0,0|2,0,0]=4 3750 B12R1.1 C/C=C/COc1ccc(nc1)N 7a_100015188713_100102629194 [0,2,0,0,0,0|2,0,0]=4 3751 B12R1.1 C/C=C/CSc1cc[n+](cc1)[O-] 62a_100102629194_100000039755 [0,2,0,0,0,0|1,0,1]=4 3752 B12R1.1 C/C=C/CSc1ccc(=O)[nH]c1 62a_100000212171_100102629194 [0,2,0,0,0,0|1,0,1]=4 3753 B12R1.1 C/C=C/CSc1ccc(=O)[nH]c1 62a_100102629194_100000212171 [0,2,0,0,0,0|1,0,1]=4 3754 B12R1.1 C/C=C/CSc1ccc(cc1)Br 62a_100000752885_100102629194 [0,2,0,0,0,0|1,0,0]=3 3755 B12R1.1 C/C=C/CSc1ccc(cc1)Br 62a_100102629194_100000752885 [0,2,0,0,0,0|1,0,0]=3 3756 B12R1.1 C/C=C/CSc1ccc(cc1)C 62a_100000186775_100102629194 [0,2,0,0,0,0|1,0,0]=3 3757 B12R1.1 C/C=C/CSc1ccc(cc1)C 62a_100102629194_100000186775 [0,2,0,0,0,0|1,0,0]=3 3758 B12R1.1 C/C=C/CSc1ccc(cc1)Cl 62a_100000755918_100102629194 [0,2,0,0,0,0|1,0,0]=3 3759 B12R1.1 C/C=C/CSc1ccc(cc1)Cl 62a_100102629194_100000755918 [0,2,0,0,0,0|1,0,0]=3 3760 B12R1.1 C/C=C/CSc1ccc(cc1)F 62a_100000211213_100102629194 [0,2,0,0,0,0|1,0,0]=3 3761 B12R1.1 C/C=C/CSc1ccc(cc1)F 62a_100102629194_100000211213 [0,2,0,0,0,0|1,0,0]=3 3762 B12R1.1 C/C=C/CSc1ccc(cc1)N 62a_100000185761_100102629194 [0,2,0,0,0,0|1,0,0]=3 3763 B12R1.1 C/C=C/CSc1ccc(cc1)N 62a_100102629194_100000185761 [0,2,0,0,0,0|1,0,0]=3 3764 B12R1.1 C/C=C/CSc1ccc(cc1)O 62a_100102629194_100000185759 [0,2,0,0,0,0|0,0,0]=2 3765 B12R1.1 C/C=C/CSc1ccc(cn1)Br 62a_100000686858_100102629194 [0,2,0,0,0,0|2,0,0]=4 3766 B12R1.1 C/C=C/CSc1ccc(cn1)Br 62a_100102629194_100000686858 [0,2,0,0,0,0|2,0,0]=4 3767 B12R1.1 C/C=C/CSc1ccc(cn1)C 62a_100011192072_100102629194 [0,2,0,0,0,0|2,0,0]=4 3768 B12R1.1 C/C=C/CSc1ccc(cn1)C 62a_100102629194_100000754016 [0,2,0,0,0,0|2,0,0]=4 3769 B12R1.1 C/C=C/CSc1ccc(cn1)Cl 62a_100011356976_100102629194 [0,2,0,0,0,0|2,0,0]=4 3770 B12R1.1 C/C=C/CSc1ccc(cn1)Cl 62a_100102629194_100011356976 [0,2,0,0,0,0|2,0,0]=4 3771 B12R1.1 C/C=C/CSc1ccc(cn1)F 62a_100000744514_100102629194 [0,2,0,0,0,0|2,0,0]=4 3772 B12R1.1 C/C=C/CSc1ccc(cn1)F 62a_100102629194_100000744514 [0,2,0,0,0,0|2,0,0]=4 3773 B12R1.1 C/C=C/CSc1ccc(cn1)N 62a_100000737798_100102629194 [0,2,0,0,0,0|2,0,0]=4 3774 B12R1.1 C/C=C/CSc1ccc(cn1)N 62a_100102629194_100000737798 [0,2,0,0,0,0|2,0,0]=4 3775 B12R1.1 C/C=C/CSc1ccc(cn1)O 62a_100000685995_100102629194 [0,2,0,0,0,0|1,0,0]=3 3776 B12R1.1 C/C=C/CSc1ccc(cn1)O 62a_100102629194_100000744096 [0,2,0,0,0,0|1,0,0]=3 3777 B12R1.1 C/C=C/CSc1ccc(nc1)Br 62a_100009814638_100102629194 [0,2,0,0,0,0|2,0,0]=4 3778 B12R1.1 C/C=C/CSc1ccc(nc1)Br 62a_100102629194_100009814638 [0,2,0,0,0,0|2,0,0]=4 3779 B12R1.1 C/C=C/CSc1ccc(nc1)C 62a_100000751577_100102629194 [0,2,0,0,0,0|2,0,0]=4 3780 B12R1.1 C/C=C/CSc1ccc(nc1)C 62a_100102629194_100000751577 [0,2,0,0,0,0|2,0,0]=4 3781 B12R1.1 C/C=C/CSc1ccc(nc1)Cl 62a_100000034144_100102629194 [0,2,0,0,0,0|2,0,0]=4 3782 B12R1.1 C/C=C/CSc1ccc(nc1)Cl 62a_100102629194_100000034144 [0,2,0,0,0,0|2,0,0]=4 3783 B12R1.1 C/C=C/CSc1ccc(nc1)F 62a_100000042367_100102629194 [0,2,0,0,0,0|2,0,0]=4 3784 B12R1.1 C/C=C/CSc1ccc(nc1)F 62a_100102629194_100000042367 [0,2,0,0,0,0|2,0,0]=4 3785 B12R1.1 C/C=C/CSc1ccc(nc1)N 62a_100000187370_100102629194 [0,2,0,0,0,0|2,0,0]=4 3786 B12R1.1 C/C=C/CSc1ccc(nc1)N 62a_100102629194_100000187370 [0,2,0,0,0,0|2,0,0]=4 3787 B12R1.1 C/C=C/CSc1cnc(cn1)O 62a_100011934580_100102629194 [0,2,0,0,0,0|2,0,0]=4 3788 B12R1.1 C/C=C/CSc1cnc(cn1)O 62a_100102629194_100015839800 [0,2,0,0,0,0|2,0,0]=4 3789 B12R1.1 C/C=C/CSc1ncc(cn1)O 62a_100000730009_100102629194 [0,2,0,0,0,0|2,0,0]=4 3790 B12R1.1 C/C=C/CSc1ncc(cn1)O 62a_100102629194_100000092845 [0,2,0,0,0,0|2,0,0]=4 3791 B12R1.1 C=CCCNc1ccc(cc1)Br 2230a_100000210018_100000754431 [0,2,0,0,0,0|1,0,0]=3 3792 B12R1.1 C=CCCNc1ccc(cc1)Br 34a_100000210018_100000754431 [0,2,0,0,0,0|1,0,0]=3 3793 B12R1.1 C=CCCNc1ccc(cc1)C 34a_100000124888_100000754431 [0,2,0,0,0,0|1,0,0]=3 3794 B12R1.1 C=CCCNc1ccc(cc1)Cl 2230a_100000210052_100000754431 [0,2,0,0,0,0|1,0,0]=3 3795 B12R1.1 C=CCCNc1ccc(cc1)Cl 34a_100000210052_100000754431 [0,2,0,0,0,0|1,0,0]=3 3796 B12R1.1 C=CCCNc1ccc(cc1)F 34a_100000185862_100000754431 [0,2,0,0,0,0|1,0,0]=3 3797 B12R1.1 C=CCCNc1ccc(cc1)I 34a_100000185761_100000754431 [0,2,0,0,0,0|1,0,0]=3 3798 B12R1.1 C=CCCNc1ccc(cc1)O 34a_100000185829_100000754431 [0,2,0,0,0,0|0,0,0]=2 3799 B12R1.1 C=CCCNc1ccc(cn1)Br 27a_100015191253_100000686858 [0,2,0,0,0,0|2,0,0]=4 3800 B12R1.1 C=CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000754431 [0,2,0,0,0,0|1,0,1]=4 3801 B12R1.1 C=CCCOc1ccc(cc1)Br 34a_100000185759_100000754431 [0,2,0,0,0,0|1,0,0]=3 3802 B12R1.1 C=CCCOc1ccc(cc1)Br 7a_100000185759_100000754431 [0,2,0,0,0,0|1,0,0]=3 3803 B12R1.1 C=CCCOc1ccc(cc1)C 34a_100000210336_100000754431 [0,2,0,0,0,0|1,0,0]=3 3804 B12R1.1 C=CCCOc1ccc(cc1)C 7a_100000210336_100000754431 [0,2,0,0,0,0|1,0,0]=3 3805 B12R1.1 C=CCCOc1ccc(cc1)Cl 34a_100000210216_100000754431 [0,2,0,0,0,0|1,0,0]=3 3806 B12R1.1 C=CCCOc1ccc(cc1)Cl 7a_100000210216_100000754431 [0,2,0,0,0,0|1,0,0]=3 3807 B12R1.1 C=CCCOc1ccc(cc1)F 34a_100000210339_100000754431 [0,2,0,0,0,0|1,0,0]=3 3808 B12R1.1 C=CCCOc1ccc(cc1)I 34a_100000212066_100000754431 [0,2,0,0,0,0|1,0,0]=3 3809 B12R1.1 C=CCCOc1ccc(cc1)I 7a_100000212066_100000754431 [0,2,0,0,0,0|1,0,0]=3 3810 B12R1.1 C=CCCOc1ccc(cc1)N 34a_100000185829_100000754431 [0,2,0,0,0,0|1,0,0]=3 3811 B12R1.1 C=CCCOc1ccc(cc1)O 271570a_203496583355_100012049633 [0,2,0,0,0,0|0,0,0]=2 3812 B12R1.1 C=CCCOc1ccc(cn1)C 34a_100000759353_100000754431 [0,2,0,0,0,0|2,0,0]=4 3813 B12R1.1 C=CCCOc1ccc(cn1)Cl 34a_100011215309_100000754431 [0,2,0,0,0,0|2,0,0]=4 3814 B12R1.1 C=CCCOc1ccc(cn1)F 34a_100000742473_100000754431 [0,2,0,0,0,0|2,0,0]=4 3815 B12R1.1 C=CCCOc1ccc(cn1)N 34a_100000729260_100000754431 [0,2,0,0,0,0|2,0,0]=4 3816 B12R1.1 C=CCCOc1ccc(nc1)Br 34a_100000685995_100000754431 [0,2,0,0,0,0|2,0,0]=4 3817 B12R1.1 C=CCCOc1ccc(nc1)Br 7a_100000685995_100000754431 [0,2,0,0,0,0|2,0,0]=4 3818 B12R1.1 C=CCCOc1ccc(nc1)C 34a_100000745506_100000754431 [0,2,0,0,0,0|2,0,0]=4 3819 B12R1.1 C=CCCOc1ccc(nc1)C 7a_100000745506_100000754431 [0,2,0,0,0,0|2,0,0]=4 3820 B12R1.1 C=CCCOc1ccc(nc1)Cl 34a_100000744096_100000754431 [0,2,0,0,0,0|2,0,0]=4 3821 B12R1.1 C=CCCOc1ccc(nc1)Cl 7a_100000744096_100000754431 [0,2,0,0,0,0|2,0,0]=4 3822 B12R1.1 C=CCCOc1ccc(nc1)F 34a_100000688820_100000754431 [0,2,0,0,0,0|2,0,0]=4 3823 B12R1.1 C=CCCOc1ccc(nc1)F 7a_100000688820_100000754431 [0,2,0,0,0,0|2,0,0]=4 3824 B12R1.1 C=CCCOc1ccc(nc1)I 34a_100000687607_100000754431 [0,2,0,0,0,0|2,0,0]=4 3825 B12R1.1 C=CCCOc1ccc(nc1)I 7a_100000687607_100000754431 [0,2,0,0,0,0|2,0,0]=4 3826 B12R1.1 C=CCCOc1ccc(nc1)N 34a_100015188713_100000754431 [0,2,0,0,0,0|2,0,0]=4 3827 B12R1.1 C=CCCOc1ccc(nc1)N 7a_100015188713_100000754431 [0,2,0,0,0,0|2,0,0]=4 3828 B12R1.1 C=CCCSc1cc[n+](cc1)[O-] 62a_100000754431_100000039755 [0,2,0,0,0,0|1,0,1]=4 3829 B12R1.1 C=CCCSc1ccc(=O)[nH]c1 62a_100000212171_100000754431 [0,2,0,0,0,0|1,0,1]=4 3830 B12R1.1 C=CCCSc1ccc(=O)[nH]c1 62a_100000754431_100000212171 [0,2,0,0,0,0|1,0,1]=4 3831 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000752885_100000754431 [0,2,0,0,0,0|1,0,0]=3 3832 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000754431_100000752885 [0,2,0,0,0,0|1,0,0]=3 3833 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000186775_100000754431 [0,2,0,0,0,0|1,0,0]=3 3834 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000754431_100000186775 [0,2,0,0,0,0|1,0,0]=3 3835 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000754431_100000755918 [0,2,0,0,0,0|1,0,0]=3 3836 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000755918_100000754431 [0,2,0,0,0,0|1,0,0]=3 3837 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000211213_100000754431 [0,2,0,0,0,0|1,0,0]=3 3838 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000754431_100000211213 [0,2,0,0,0,0|1,0,0]=3 3839 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000185761_100000754431 [0,2,0,0,0,0|1,0,0]=3 3840 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000754431_100000185761 [0,2,0,0,0,0|1,0,0]=3 3841 B12R1.1 C=CCCSc1ccc(cc1)O 62a_100000754431_100000185759 [0,2,0,0,0,0|0,0,0]=2 3842 B12R1.1 C=CCCSc1ccc(cn1)Br 62a_100000686858_100000754431 [0,2,0,0,0,0|2,0,0]=4 3843 B12R1.1 C=CCCSc1ccc(cn1)Br 62a_100000754431_100000686858 [0,2,0,0,0,0|2,0,0]=4 3844 B12R1.1 C=CCCSc1ccc(cn1)C 62a_100000754431_100000754016 [0,2,0,0,0,0|2,0,0]=4 3845 B12R1.1 C=CCCSc1ccc(cn1)C 62a_100011192072_100000754431 [0,2,0,0,0,0|2,0,0]=4 3846 B12R1.1 C=CCCSc1ccc(cn1)Cl 62a_100000754431_100011356976 [0,2,0,0,0,0|2,0,0]=4 3847 B12R1.1 C=CCCSc1ccc(cn1)Cl 62a_100011356976_100000754431 [0,2,0,0,0,0|2,0,0]=4 3848 B12R1.1 C=CCCSc1ccc(cn1)F 62a_100000744514_100000754431 [0,2,0,0,0,0|2,0,0]=4 3849 B12R1.1 C=CCCSc1ccc(cn1)F 62a_100000754431_100000744514 [0,2,0,0,0,0|2,0,0]=4 3850 B12R1.1 C=CCCSc1ccc(cn1)N 62a_100000737798_100000754431 [0,2,0,0,0,0|2,0,0]=4 3851 B12R1.1 C=CCCSc1ccc(cn1)N 62a_100000754431_100000737798 [0,2,0,0,0,0|2,0,0]=4 3852 B12R1.1 C=CCCSc1ccc(cn1)O 62a_100000685995_100000754431 [0,2,0,0,0,0|1,0,0]=3 3853 B12R1.1 C=CCCSc1ccc(cn1)O 62a_100000754431_100000744096 [0,2,0,0,0,0|1,0,0]=3 3854 B12R1.1 C=CCCSc1ccc(nc1)Br 62a_100000754431_100009814638 [0,2,0,0,0,0|2,0,0]=4 3855 B12R1.1 C=CCCSc1ccc(nc1)Br 62a_100009814638_100000754431 [0,2,0,0,0,0|2,0,0]=4 3856 B12R1.1 C=CCCSc1ccc(nc1)C 62a_100000751577_100000754431 [0,2,0,0,0,0|2,0,0]=4 3857 B12R1.1 C=CCCSc1ccc(nc1)C 62a_100000754431_100000751577 [0,2,0,0,0,0|2,0,0]=4 3858 B12R1.1 C=CCCSc1ccc(nc1)Cl 62a_100000034144_100000754431 [0,2,0,0,0,0|2,0,0]=4 3859 B12R1.1 C=CCCSc1ccc(nc1)Cl 62a_100000754431_100000034144 [0,2,0,0,0,0|2,0,0]=4 3860 B12R1.1 C=CCCSc1ccc(nc1)F 62a_100000042367_100000754431 [0,2,0,0,0,0|2,0,0]=4 3861 B12R1.1 C=CCCSc1ccc(nc1)F 62a_100000754431_100000042367 [0,2,0,0,0,0|2,0,0]=4 3862 B12R1.1 C=CCCSc1ccc(nc1)N 62a_100000187370_100000754431 [0,2,0,0,0,0|2,0,0]=4 3863 B12R1.1 C=CCCSc1ccc(nc1)N 62a_100000754431_100000187370 [0,2,0,0,0,0|2,0,0]=4 3864 B12R1.1 C=CCCSc1cnc(cn1)O 62a_100000754431_100015839800 [0,2,0,0,0,0|2,0,0]=4 3865 B12R1.1 C=CCCSc1cnc(cn1)O 62a_100011934580_100000754431 [0,2,0,0,0,0|2,0,0]=4 3866 B12R1.1 C=CCCSc1ncc(cn1)O 62a_100000730009_100000754431 [0,2,0,0,0,0|2,0,0]=4 3867 B12R1.1 C=CCCSc1ncc(cn1)O 62a_100000754431_100000092845 [0,2,0,0,0,0|2,0,0]=4 3868 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100000174875_100000210623 [0,2,0,0,0,0|1,0,0]=3 3869 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100020586998_100011217064 [0,2,0,0,0,0|1,0,0]=3 3870 B12R1.1 C=CCNCc1ccc(cc1)Br 270004a_100020586998_100000186029 [0,2,0,0,0,0|1,0,0]=3 3871 B12R1.1 C=CCNCc1ccc(cc1)Br 34a_100000174875_100015514636 [0,2,0,0,0,0|1,0,0]=3 3872 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100000174908_100000210623 [0,2,0,0,0,0|1,0,0]=3 3873 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100020586998_100000210814 [0,2,0,0,0,0|1,0,0]=3 3874 B12R1.1 C=CCNCc1ccc(cc1)C 270004a_100020586998_100000211033 [0,2,0,0,0,0|1,0,0]=3 3875 B12R1.1 C=CCNCc1ccc(cc1)C 34a_100000174908_100015514636 [0,2,0,0,0,0|1,0,0]=3 3876 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210623 [0,2,0,0,0,0|1,0,0]=3 3877 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100020586998_100000694040 [0,2,0,0,0,0|1,0,0]=3 3878 B12R1.1 C=CCNCc1ccc(cc1)Cl 270004a_100020586998_100000189385 [0,2,0,0,0,0|1,0,0]=3 3879 B12R1.1 C=CCNCc1ccc(cc1)Cl 34a_100000174871_100015514636 [0,2,0,0,0,0|1,0,0]=3 3880 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100000174882_100000210623 [0,2,0,0,0,0|1,0,0]=3 3881 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100020586998_100000198546 [0,2,0,0,0,0|1,0,0]=3 3882 B12R1.1 C=CCNCc1ccc(cc1)F 270004a_100020586998_100000210084 [0,2,0,0,0,0|1,0,0]=3 3883 B12R1.1 C=CCNCc1ccc(cc1)F 34a_100000174882_100015514636 [0,2,0,0,0,0|1,0,0]=3 3884 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100016989417_100000210623 [0,2,0,0,0,0|1,0,0]=3 3885 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100020586998_100000189116 [0,2,0,0,0,0|1,0,0]=3 3886 B12R1.1 C=CCNCc1ccc(cc1)I 34a_100016989417_100015514636 [0,2,0,0,0,0|1,0,0]=3 3887 B12R1.1 C=CCNCc1ccc(cc1)O 34a_100000185549_100015514636 [0,2,0,0,0,0|0,0,0]=2 3888 B12R1.1 C=CCNCc1ccc(cn1)Br 2230a_100020586998_100000702658 [0,2,0,0,0,0|2,0,0]=4 3889 B12R1.1 C=CCNCc1ccc(cn1)Br 270004a_100020586998_100000754260 [0,2,0,0,0,0|2,0,0]=4 3890 B12R1.1 C=CCNCc1ccc(cn1)Br 34a_100015188789_100015514636 [0,2,0,0,0,0|2,0,0]=4 3891 B12R1.1 C=CCNCc1ccc(cn1)C 2230a_100020586998_100000691093 [0,2,0,0,0,0|2,0,0]=4 3892 B12R1.1 C=CCNCc1ccc(cn1)C 270004a_100020586998_100000050478 [0,2,0,0,0,0|2,0,0]=4 3893 B12R1.1 C=CCNCc1ccc(cn1)C 34a_100015187455_100015514636 [0,2,0,0,0,0|2,0,0]=4 3894 B12R1.1 C=CCNCc1ccc(cn1)Cl 2230a_100020586998_100012066911 [0,2,0,0,0,0|2,0,0]=4 3895 B12R1.1 C=CCNCc1ccc(cn1)Cl 270004a_100020586998_100011361569 [0,2,0,0,0,0|2,0,0]=4 3896 B12R1.1 C=CCNCc1ccc(cn1)Cl 34a_100000697193_100015514636 [0,2,0,0,0,0|2,0,0]=4 3897 B12R1.1 C=CCNCc1ccc(cn1)F 2230a_100020586998_100000703193 [0,2,0,0,0,0|2,0,0]=4 3898 B12R1.1 C=CCNCc1ccc(cn1)F 270004a_100020586998_100011934744 [0,2,0,0,0,0|2,0,0]=4 3899 B12R1.1 C=CCNCc1ccc(cn1)F 34a_100020620131_100015514636 [0,2,0,0,0,0|2,0,0]=4 3900 B12R1.1 C=CCNCc1ccc(nc1)Br 2230a_100009817727_100000210623 [0,2,0,0,0,0|2,0,0]=4 3901 B12R1.1 C=CCNCc1ccc(nc1)Br 2230a_100020586998_100009831999 [0,2,0,0,0,0|2,0,0]=4 3902 B12R1.1 C=CCNCc1ccc(nc1)Br 34a_100009817727_100015514636 [0,2,0,0,0,0|2,0,0]=4 3903 B12R1.1 C=CCNCc1ccc(nc1)C 2230a_100020586998_100016987292 [0,2,0,0,0,0|2,0,0]=4 3904 B12R1.1 C=CCNCc1ccc(nc1)C 270004a_100020586998_100000743784 [0,2,0,0,0,0|2,0,0]=4 3905 B12R1.1 C=CCNCc1ccc(nc1)C 34a_100000740942_100015514636 [0,2,0,0,0,0|2,0,0]=4 3906 B12R1.1 C=CCNCc1ccc(nc1)Cl 2230a_100000735879_100000210623 [0,2,0,0,0,0|2,0,0]=4 3907 B12R1.1 C=CCNCc1ccc(nc1)Cl 2230a_100020586998_100000735431 [0,2,0,0,0,0|2,0,0]=4 3908 B12R1.1 C=CCNCc1ccc(nc1)Cl 34a_100000735879_100015514636 [0,2,0,0,0,0|2,0,0]=4 3909 B12R1.1 C=CCNCc1ccc(nc1)F 2230a_100000101913_100000210623 [0,2,0,0,0,0|2,0,0]=4 3910 B12R1.1 C=CCNCc1ccc(nc1)F 2230a_100020586998_100009820150 [0,2,0,0,0,0|2,0,0]=4 3911 B12R1.1 C=CCNCc1ccc(nc1)F 34a_100000101913_100015514636 [0,2,0,0,0,0|2,0,0]=4 3912 B12R1.1 C=CCNCc1ccc(nc1)O 2230a_100000757128_100000210623 [0,2,0,0,0,0|1,0,0]=3 3913 B12R1.1 C=CCOCc1cc[n+](cc1)C 34a_100009831711_100015514636 [0,2,0,0,0,0|2,0,0]=4 3914 B12R1.1 C=CCOCc1cc[n+](cc1)[O-] 34a_100000031831_100015514636 [0,2,0,0,0,0|1,0,1]=4 3915 B12R1.1 C=CCOCc1cc[n+](cc1)[O-] 7a_100000031831_100015514636 [0,2,0,0,0,0|1,0,1]=4 3916 B12R1.1 C=CCOCc1ccc(=O)[nH]c1 34a_100011999846_100015514636 [0,2,0,0,0,0|1,0,1]=4 3917 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_100000695286_100015514636 [0,2,0,0,0,0|1,0,0]=3 3918 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_200000210373_100000189115 [0,2,0,0,0,0|1,0,0]=3 3919 B12R1.1 C=CCOCc1ccc(cc1)C 34a_100011215236_100015514636 [0,2,0,0,0,0|1,0,0]=3 3920 B12R1.1 C=CCOCc1ccc(cc1)C 34a_200000210373_100000210814 [0,2,0,0,0,0|1,0,0]=3 3921 B12R1.1 C=CCOCc1ccc(cc1)C 7a_100011215236_100015514636 [0,2,0,0,0,0|1,0,0]=3 3922 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_100000211118_100015514636 [0,2,0,0,0,0|1,0,0]=3 3923 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_200000210373_100000694040 [0,2,0,0,0,0|1,0,0]=3 3924 B12R1.1 C=CCOCc1ccc(cc1)Cl 7a_100000211118_100015514636 [0,2,0,0,0,0|1,0,0]=3 3925 B12R1.1 C=CCOCc1ccc(cc1)F 34a_100000210977_100015514636 [0,2,0,0,0,0|1,0,0]=3 3926 B12R1.1 C=CCOCc1ccc(cc1)F 34a_200000210373_100000198546 [0,2,0,0,0,0|1,0,0]=3 3927 B12R1.1 C=CCOCc1ccc(cc1)F 7a_100000210977_100015514636 [0,2,0,0,0,0|1,0,0]=3 3928 B12R1.1 C=CCOCc1ccc(cc1)I 34a_100000690907_100015514636 [0,2,0,0,0,0|1,0,0]=3 3929 B12R1.1 C=CCOCc1ccc(cc1)I 34a_200000210373_100000189116 [0,2,0,0,0,0|1,0,0]=3 3930 B12R1.1 C=CCOCc1ccc(cc1)I 7a_100000690907_100015514636 [0,2,0,0,0,0|1,0,0]=3 3931 B12R1.1 C=CCOCc1ccc(cc1)N 34a_100011215238_100015514636 [0,2,0,0,0,0|1,0,0]=3 3932 B12R1.1 C=CCOCc1ccc(cn1)Br 34a_100000754261_100015514636 [0,2,0,0,0,0|2,0,0]=4 3933 B12R1.1 C=CCOCc1ccc(cn1)Br 34a_200000210373_100000702658 [0,2,0,0,0,0|2,0,0]=4 3934 B12R1.1 C=CCOCc1ccc(cn1)C 34a_100012001401_100015514636 [0,2,0,0,0,0|2,0,0]=4 3935 B12R1.1 C=CCOCc1ccc(cn1)C 34a_200000210373_100000691093 [0,2,0,0,0,0|2,0,0]=4 3936 B12R1.1 C=CCOCc1ccc(cn1)Cl 34a_100000703999_100015514636 [0,2,0,0,0,0|2,0,0]=4 3937 B12R1.1 C=CCOCc1ccc(cn1)Cl 34a_200000210373_100012066911 [0,2,0,0,0,0|2,0,0]=4 3938 B12R1.1 C=CCOCc1ccc(cn1)F 34a_100011999454_100015514636 [0,2,0,0,0,0|2,0,0]=4 3939 B12R1.1 C=CCOCc1ccc(cn1)F 34a_200000210373_100000703193 [0,2,0,0,0,0|2,0,0]=4 3940 B12R1.1 C=CCOCc1ccc(cn1)N 34a_100011998161_100015514636 [0,2,0,0,0,0|2,0,0]=4 3941 B12R1.1 C=CCOCc1ccc(nc1)Br 34a_100009816760_100015514636 [0,2,0,0,0,0|2,0,0]=4 3942 B12R1.1 C=CCOCc1ccc(nc1)Br 34a_200000210373_100009831999 [0,2,0,0,0,0|2,0,0]=4 3943 B12R1.1 C=CCOCc1ccc(nc1)Br 7a_100009816760_100015514636 [0,2,0,0,0,0|2,0,0]=4 3944 B12R1.1 C=CCOCc1ccc(nc1)C 34a_100011248133_100015514636 [0,2,0,0,0,0|2,0,0]=4 3945 B12R1.1 C=CCOCc1ccc(nc1)C 34a_200000210373_100016987292 [0,2,0,0,0,0|2,0,0]=4 3946 B12R1.1 C=CCOCc1ccc(nc1)Cl 34a_100000755211_100015514636 [0,2,0,0,0,0|2,0,0]=4 3947 B12R1.1 C=CCOCc1ccc(nc1)Cl 34a_200000210373_100000735431 [0,2,0,0,0,0|2,0,0]=4 3948 B12R1.1 C=CCOCc1ccc(nc1)Cl 7a_100000755211_100015514636 [0,2,0,0,0,0|2,0,0]=4 3949 B12R1.1 C=CCOCc1ccc(nc1)F 34a_100000079959_100015514636 [0,2,0,0,0,0|2,0,0]=4 3950 B12R1.1 C=CCOCc1ccc(nc1)F 34a_200000210373_100000099788 [0,2,0,0,0,0|2,0,0]=4 3951 B12R1.1 C=CCOCc1ccc(nc1)N 34a_100000704267_100015514636 [0,2,0,0,0,0|2,0,0]=4 3952 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000189115_100000210623 [0,2,0,0,0,0|1,0,0]=3 3953 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000210623_100000189115 [0,2,0,0,0,0|1,0,0]=3 3954 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210623_100000210814 [0,2,0,0,0,0|1,0,0]=3 3955 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210814_100000210623 [0,2,0,0,0,0|1,0,0]=3 3956 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000187161_100000210623 [0,2,0,0,0,0|1,0,0]=3 3957 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000210623_100000187161 [0,2,0,0,0,0|1,0,0]=3 3958 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000198546_100000210623 [0,2,0,0,0,0|1,0,0]=3 3959 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000210623_100000187164 [0,2,0,0,0,0|1,0,0]=3 3960 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000189116_100000210623 [0,2,0,0,0,0|1,0,0]=3 3961 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000210623_100000189116 [0,2,0,0,0,0|1,0,0]=3 3962 B12R1.1 C=CCSCc1ccc(cn1)Br 62a_100000210623_100000702658 [0,2,0,0,0,0|2,0,0]=4 3963 B12R1.1 C=CCSCc1ccc(cn1)Br 62a_100000702658_100000210623 [0,2,0,0,0,0|2,0,0]=4 3964 B12R1.1 C=CCSCc1ccc(cn1)C 62a_100000210623_100000691093 [0,2,0,0,0,0|2,0,0]=4 3965 B12R1.1 C=CCSCc1ccc(cn1)C 62a_100000691093_100000210623 [0,2,0,0,0,0|2,0,0]=4 3966 B12R1.1 C=CCSCc1ccc(cn1)Cl 62a_100000210623_100000697101 [0,2,0,0,0,0|2,0,0]=4 3967 B12R1.1 C=CCSCc1ccc(cn1)Cl 62a_100012066911_100000210623 [0,2,0,0,0,0|2,0,0]=4 3968 B12R1.1 C=CCSCc1ccc(cn1)F 62a_100000210623_100000703193 [0,2,0,0,0,0|2,0,0]=4 3969 B12R1.1 C=CCSCc1ccc(cn1)F 62a_100000703193_100000210623 [0,2,0,0,0,0|2,0,0]=4 3970 B12R1.1 C=CCSCc1ccc(nc1)Br 62a_100000210623_100009831999 [0,2,0,0,0,0|2,0,0]=4 3971 B12R1.1 C=CCSCc1ccc(nc1)Br 62a_100009831999_100000210623 [0,2,0,0,0,0|2,0,0]=4 3972 B12R1.1 C=CCSCc1ccc(nc1)C 62a_100000210623_100016987292 [0,2,0,0,0,0|2,0,0]=4 3973 B12R1.1 C=CCSCc1ccc(nc1)C 62a_100016987292_100000210623 [0,2,0,0,0,0|2,0,0]=4 3974 B12R1.1 C=CCSCc1ccc(nc1)Cl 62a_100000210623_100000735431 [0,2,0,0,0,0|2,0,0]=4 3975 B12R1.1 C=CCSCc1ccc(nc1)Cl 62a_100000735431_100000210623 [0,2,0,0,0,0|2,0,0]=4 3976 B12R1.1 C=CCSCc1ccc(nc1)F 62a_100000210623_100000099788 [0,2,0,0,0,0|2,0,0]=4 3977 B12R1.1 C=CCSCc1ccc(nc1)F 62a_100009820150_100000210623 [0,2,0,0,0,0|2,0,0]=4 3978 B12R1.1 CC#CCNc1ccc(cc1)O 34a_100000185829_100000748600 [0,2,0,0,0,0|0,0,2]=4 3979 B12R1.1 CC#CCSc1ccc(cc1)O 62a_100000748600_100000185759 [0,2,0,0,0,0|0,0,2]=4 3980 B12R1.1 CC=CCNc1ccc(cc1)Br 2230a_100000210018_100000070051 [0,2,0,0,0,0|1,0,0]=3 3981 B12R1.1 CC=CCNc1ccc(cc1)Br 34a_100000210018_100000070051 [0,2,0,0,0,0|1,0,0]=3 3982 B12R1.1 CC=CCNc1ccc(cc1)C 34a_100000124888_100000070051 [0,2,0,0,0,0|1,0,0]=3 3983 B12R1.1 CC=CCNc1ccc(cc1)Cl 2230a_100000210052_100000070051 [0,2,0,0,0,0|1,0,0]=3 3984 B12R1.1 CC=CCNc1ccc(cc1)Cl 34a_100000210052_100000070051 [0,2,0,0,0,0|1,0,0]=3 3985 B12R1.1 CC=CCNc1ccc(cc1)F 34a_100000185862_100000070051 [0,2,0,0,0,0|1,0,0]=3 3986 B12R1.1 CC=CCNc1ccc(cc1)I 34a_100000185761_100000070051 [0,2,0,0,0,0|1,0,0]=3 3987 B12R1.1 CC=CCNc1ccc(cc1)O 34a_100000185829_100000070051 [0,2,0,0,0,0|0,0,0]=2 3988 B12R1.1 CC=CCOc1ccc(=O)[nH]c1 34a_100000075641_100000070051 [0,2,0,0,0,0|1,0,1]=4 3989 B12R1.1 CC=CCOc1ccc(cc1)Br 34a_100000185759_100000070051 [0,2,0,0,0,0|1,0,0]=3 3990 B12R1.1 CC=CCOc1ccc(cc1)Br 7a_100000185759_100000070051 [0,2,0,0,0,0|1,0,0]=3 3991 B12R1.1 CC=CCOc1ccc(cc1)C 34a_100000210336_100000070051 [0,2,0,0,0,0|1,0,0]=3 3992 B12R1.1 CC=CCOc1ccc(cc1)C 7a_100000210336_100000070051 [0,2,0,0,0,0|1,0,0]=3 3993 B12R1.1 CC=CCOc1ccc(cc1)Cl 34a_100000210216_100000070051 [0,2,0,0,0,0|1,0,0]=3 3994 B12R1.1 CC=CCOc1ccc(cc1)Cl 7a_100000210216_100000070051 [0,2,0,0,0,0|1,0,0]=3 3995 B12R1.1 CC=CCOc1ccc(cc1)F 34a_100000210339_100000070051 [0,2,0,0,0,0|1,0,0]=3 3996 B12R1.1 CC=CCOc1ccc(cc1)I 34a_100000212066_100000070051 [0,2,0,0,0,0|1,0,0]=3 3997 B12R1.1 CC=CCOc1ccc(cc1)I 7a_100000212066_100000070051 [0,2,0,0,0,0|1,0,0]=3 3998 B12R1.1 CC=CCOc1ccc(cc1)N 34a_100000185829_100000070051 [0,2,0,0,0,0|1,0,0]=3 3999 B12R1.1 CC=CCOc1ccc(cn1)C 34a_100000759353_100000070051 [0,2,0,0,0,0|2,0,0]=4 4000 B12R1.1 CC=CCOc1ccc(cn1)Cl 34a_100011215309_100000070051 [0,2,0,0,0,0|2,0,0]=4 4001 B12R1.1 CC=CCOc1ccc(cn1)F 34a_100000742473_100000070051 [0,2,0,0,0,0|2,0,0]=4 4002 B12R1.1 CC=CCOc1ccc(cn1)N 34a_100000729260_100000070051 [0,2,0,0,0,0|2,0,0]=4 4003 B12R1.1 CC=CCOc1ccc(nc1)Br 34a_100000685995_100000070051 [0,2,0,0,0,0|2,0,0]=4 4004 B12R1.1 CC=CCOc1ccc(nc1)Br 7a_100000685995_100000070051 [0,2,0,0,0,0|2,0,0]=4 4005 B12R1.1 CC=CCOc1ccc(nc1)C 34a_100000745506_100000070051 [0,2,0,0,0,0|2,0,0]=4 4006 B12R1.1 CC=CCOc1ccc(nc1)C 7a_100000745506_100000070051 [0,2,0,0,0,0|2,0,0]=4 4007 B12R1.1 CC=CCOc1ccc(nc1)Cl 34a_100000744096_100000070051 [0,2,0,0,0,0|2,0,0]=4 4008 B12R1.1 CC=CCOc1ccc(nc1)Cl 7a_100000744096_100000070051 [0,2,0,0,0,0|2,0,0]=4 4009 B12R1.1 CC=CCOc1ccc(nc1)F 34a_100000688820_100000070051 [0,2,0,0,0,0|2,0,0]=4 4010 B12R1.1 CC=CCOc1ccc(nc1)F 7a_100000688820_100000070051 [0,2,0,0,0,0|2,0,0]=4 4011 B12R1.1 CC=CCOc1ccc(nc1)I 34a_100000687607_100000070051 [0,2,0,0,0,0|2,0,0]=4 4012 B12R1.1 CC=CCOc1ccc(nc1)I 7a_100000687607_100000070051 [0,2,0,0,0,0|2,0,0]=4 4013 B12R1.1 CC=CCOc1ccc(nc1)N 34a_100015188713_100000070051 [0,2,0,0,0,0|2,0,0]=4 4014 B12R1.1 CC=CCOc1ccc(nc1)N 7a_100015188713_100000070051 [0,2,0,0,0,0|2,0,0]=4 4015 B12R1.1 CC=CCSc1cc[n+](cc1)[O-] 62a_100000070051_100000039755 [0,2,0,0,0,0|1,0,1]=4 4016 B12R1.1 CC=CCSc1ccc(=O)[nH]c1 62a_100000070051_100000212171 [0,2,0,0,0,0|1,0,1]=4 4017 B12R1.1 CC=CCSc1ccc(=O)[nH]c1 62a_100000212171_100000070051 [0,2,0,0,0,0|1,0,1]=4 4018 B12R1.1 CC=CCSc1ccc(cc1)Br 62a_100000070051_100000752885 [0,2,0,0,0,0|1,0,0]=3 4019 B12R1.1 CC=CCSc1ccc(cc1)Br 62a_100000752885_100000070051 [0,2,0,0,0,0|1,0,0]=3 4020 B12R1.1 CC=CCSc1ccc(cc1)C 62a_100000070051_100000186775 [0,2,0,0,0,0|1,0,0]=3 4021 B12R1.1 CC=CCSc1ccc(cc1)C 62a_100000186775_100000070051 [0,2,0,0,0,0|1,0,0]=3 4022 B12R1.1 CC=CCSc1ccc(cc1)Cl 62a_100000070051_100000755918 [0,2,0,0,0,0|1,0,0]=3 4023 B12R1.1 CC=CCSc1ccc(cc1)Cl 62a_100000755918_100000070051 [0,2,0,0,0,0|1,0,0]=3 4024 B12R1.1 CC=CCSc1ccc(cc1)F 62a_100000070051_100000211213 [0,2,0,0,0,0|1,0,0]=3 4025 B12R1.1 CC=CCSc1ccc(cc1)F 62a_100000211213_100000070051 [0,2,0,0,0,0|1,0,0]=3 4026 B12R1.1 CC=CCSc1ccc(cc1)N 62a_100000070051_100000185761 [0,2,0,0,0,0|1,0,0]=3 4027 B12R1.1 CC=CCSc1ccc(cc1)N 62a_100000185761_100000070051 [0,2,0,0,0,0|1,0,0]=3 4028 B12R1.1 CC=CCSc1ccc(cc1)O 62a_100000070051_100000185759 [0,2,0,0,0,0|0,0,0]=2 4029 B12R1.1 CC=CCSc1ccc(cn1)Br 62a_100000070051_100000686858 [0,2,0,0,0,0|2,0,0]=4 4030 B12R1.1 CC=CCSc1ccc(cn1)Br 62a_100000686858_100000070051 [0,2,0,0,0,0|2,0,0]=4 4031 B12R1.1 CC=CCSc1ccc(cn1)C 62a_100000070051_100000754016 [0,2,0,0,0,0|2,0,0]=4 4032 B12R1.1 CC=CCSc1ccc(cn1)C 62a_100011192072_100000070051 [0,2,0,0,0,0|2,0,0]=4 4033 B12R1.1 CC=CCSc1ccc(cn1)Cl 62a_100000070051_100011356976 [0,2,0,0,0,0|2,0,0]=4 4034 B12R1.1 CC=CCSc1ccc(cn1)Cl 62a_100011356976_100000070051 [0,2,0,0,0,0|2,0,0]=4 4035 B12R1.1 CC=CCSc1ccc(cn1)F 62a_100000070051_100000744514 [0,2,0,0,0,0|2,0,0]=4 4036 B12R1.1 CC=CCSc1ccc(cn1)F 62a_100000744514_100000070051 [0,2,0,0,0,0|2,0,0]=4 4037 B12R1.1 CC=CCSc1ccc(cn1)N 62a_100000070051_100000737798 [0,2,0,0,0,0|2,0,0]=4 4038 B12R1.1 CC=CCSc1ccc(cn1)N 62a_100000737798_100000070051 [0,2,0,0,0,0|2,0,0]=4 4039 B12R1.1 CC=CCSc1ccc(cn1)O 62a_100000070051_100000744096 [0,2,0,0,0,0|1,0,0]=3 4040 B12R1.1 CC=CCSc1ccc(cn1)O 62a_100000685995_100000070051 [0,2,0,0,0,0|1,0,0]=3 4041 B12R1.1 CC=CCSc1ccc(nc1)Br 62a_100000070051_100009814638 [0,2,0,0,0,0|2,0,0]=4 4042 B12R1.1 CC=CCSc1ccc(nc1)Br 62a_100009814638_100000070051 [0,2,0,0,0,0|2,0,0]=4 4043 B12R1.1 CC=CCSc1ccc(nc1)C 62a_100000070051_100000751577 [0,2,0,0,0,0|2,0,0]=4 4044 B12R1.1 CC=CCSc1ccc(nc1)C 62a_100000751577_100000070051 [0,2,0,0,0,0|2,0,0]=4 4045 B12R1.1 CC=CCSc1ccc(nc1)Cl 62a_100000034144_100000070051 [0,2,0,0,0,0|2,0,0]=4 4046 B12R1.1 CC=CCSc1ccc(nc1)Cl 62a_100000070051_100000034144 [0,2,0,0,0,0|2,0,0]=4 4047 B12R1.1 CC=CCSc1ccc(nc1)F 62a_100000042367_100000070051 [0,2,0,0,0,0|2,0,0]=4 4048 B12R1.1 CC=CCSc1ccc(nc1)F 62a_100000070051_100000042367 [0,2,0,0,0,0|2,0,0]=4 4049 B12R1.1 CC=CCSc1ccc(nc1)N 62a_100000070051_100000187370 [0,2,0,0,0,0|2,0,0]=4 4050 B12R1.1 CC=CCSc1ccc(nc1)N 62a_100000187370_100000070051 [0,2,0,0,0,0|2,0,0]=4 4051 B12R1.1 CC=CCSc1cnc(cn1)O 62a_100000070051_100015839800 [0,2,0,0,0,0|2,0,0]=4 4052 B12R1.1 CC=CCSc1cnc(cn1)O 62a_100011934580_100000070051 [0,2,0,0,0,0|2,0,0]=4 4053 B12R1.1 CC=CCSc1ncc(cn1)O 62a_100000070051_100000092845 [0,2,0,0,0,0|2,0,0]=4 4054 B12R1.1 CC=CCSc1ncc(cn1)O 62a_100000730009_100000070051 [0,2,0,0,0,0|2,0,0]=4 4055 B12R1.1 CC=NNCc1ccc(cc1)Br 4a_100016993955_200000210099 [0,2,0,0,0,0|1,0,1]=4 4056 B12R1.1 CC=NNCc1ccc(cc1)C 4a_100011197965_200000210099 [0,2,0,0,0,0|1,0,1]=4 4057 B12R1.1 CC=NNCc1ccc(cc1)Cl 4a_100000689899_200000210099 [0,2,0,0,0,0|1,0,1]=4 4058 B12R1.1 CC=NNCc1ccc(cc1)F 4a_100000689900_200000210099 [0,2,0,0,0,0|1,0,1]=4 4059 B12R1.1 CC=NNCc1ccc(cc1)I 4a_102495363730_200000210099 [0,2,0,0,0,0|1,0,1]=4 4060 B12R1.1 CCCC=Cc1ccc(cc1)O 271570a_100016258520_100000185759 [0,2,0,0,0,0|0,0,2]=4 4061 B12R1.1 CCCCCc1ccc(cc1)O 271570a_203496583355_100009813665 [0,2,0,0,0,0|0,0,2]=4 4062 B12R1.1 CCCCNc1ccc(cc1)O 34a_100000185829_100000210210 [0,2,0,0,0,0|0,0,2]=4 4063 B12R1.1 CCCCOc1ccc(cc1)O 271570a_203496583355_100000230682 [0,2,0,0,0,0|0,0,2]=4 4064 B12R1.1 CCCCSc1ccc(cc1)O 62a_100000210211_100000185759 [0,2,0,0,0,0|0,0,2]=4 4065 B12R1.1 CCCNCc1ccc(cc1)O 34a_100000185549_100000210303 [0,2,0,0,0,0|0,0,2]=4 4066 B12R1.1 CCNCCc1ccc(cc1)O 2230a_100015525214_100009816426 [0,2,0,0,0,0|0,0,2]=4 4067 B12R1.1 CCNCCc1ccc(cc1)O 34a_100000743037_100000210202 [0,2,0,0,0,0|0,0,2]=4 4068 B12R1.1 CCOC=Cc1ccc(cc1)O 271570a_100016256518_100000185759 [0,2,0,0,0,0|0,0,2]=4 4069 B12R1.1 CCOCSc1ccc(cc1)O 62a_100000739092_100000185759 [0,2,0,0,0,0|0,0,2]=4 4070 B12R1.1 CCSCCc1ccc(cc1)O 62a_100000210202_100009816426 [0,2,0,0,0,0|0,0,2]=4 4071 B12R1.1 CCSCCc1ccc(cc1)O 62a_100009816426_100000210202 [0,2,0,0,0,0|0,0,2]=4 4072 B12R1.1 COCC=Cc1ccc(cc1)O 271570a_100016286323_100000185759 [0,2,0,0,0,0|0,0,2]=4 4073 B12R1.1 COCCNc1ccc(cc1)O 34a_100000185829_100011201679 [0,2,0,0,0,0|0,0,2]=4 4074 B12R1.1 COCCOc1ccc(cc1)O 271570a_203496583355_100000234135 [0,2,0,0,0,0|0,0,2]=4 4075 B12R1.1 COCCSc1ccc(cc1)O 271570a_203496583355_200009813259 [0,2,0,0,0,0|0,0,2]=4 4076 B12R1.1 COCCSc1ccc(cc1)O 62a_100000233755_100000185759 [0,2,0,0,0,0|0,0,2]=4 4077 B12R1.1 CSCCNc1ccc(cc1)O 34a_100000185829_100000212216 [0,2,0,0,0,0|0,0,2]=4 4078 B12R1.1 CSCCSc1ccc(cc1)O 62a_100000212216_100000185759 [0,2,0,0,0,0|0,0,2]=4 4079 B12R1.1 CSCNCc1ccc(cc1)O 34a_100000185549_100011218213 [0,2,0,0,0,0|0,0,2]=4 4080 B12R1.1 Cc1ccc(cc1)CNCC=O 2230a_100000174908_200015260668 [0,2,0,0,0,0|1,0,1]=4 4081 B12R1.1 Cc1ccc(cc1)CNCC=O 34a_100000174908_200009817547 [0,2,0,0,0,0|1,0,1]=4 4082 B12R1.1 Cc1ccc(cc1)COCC=O 34a_100011215236_200009817547 [0,2,0,0,0,0|1,0,1]=4 4083 B12R1.1 Cc1ccc(cc1)COCC=O 7a_100011215236_200015260668 [0,2,0,0,0,0|1,0,1]=4 4084 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_100000210814_200015260668 [0,2,0,0,0,0|1,0,1]=4 4085 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_200015260668_100000210814 [0,2,0,0,0,0|1,0,1]=4 4086 B12R1.1 N#CCCOc1ccc(cc1)O 271570a_203496583355_100000172056 [0,2,0,0,0,0|0,0,2]=4 4087 B12R1.1 N#CCCSc1ccc(cc1)O 62a_100011215226_100000185759 [0,2,0,0,0,0|0,0,2]=4 4088 B12R1.1 N#CSCSc1ccc(cc1)O 62a_100000211825_100000185759 [0,2,0,0,0,0|1,0,1]=4 4089 B12R1.1 Nc1ccc(cc1)COCC=O 34a_100011215238_200009817547 [0,2,0,0,0,0|1,0,1]=4 4090 B12R1.1 O=CCNCc1ccc(cc1)Br 2230a_100000174875_200015260668 [0,2,0,0,0,0|1,0,1]=4 4091 B12R1.1 O=CCNCc1ccc(cc1)Br 34a_100000174875_200009817547 [0,2,0,0,0,0|1,0,1]=4 4092 B12R1.1 O=CCNCc1ccc(cc1)Cl 2230a_100000174871_200015260668 [0,2,0,0,0,0|1,0,1]=4 4093 B12R1.1 O=CCNCc1ccc(cc1)Cl 34a_100000174871_200009817547 [0,2,0,0,0,0|1,0,1]=4 4094 B12R1.1 O=CCNCc1ccc(cc1)F 2230a_100000174882_200015260668 [0,2,0,0,0,0|1,0,1]=4 4095 B12R1.1 O=CCNCc1ccc(cc1)F 34a_100000174882_200009817547 [0,2,0,0,0,0|1,0,1]=4 4096 B12R1.1 O=CCNCc1ccc(cc1)I 2230a_100016989417_200015260668 [0,2,0,0,0,0|1,0,1]=4 4097 B12R1.1 O=CCNCc1ccc(cc1)I 34a_100016989417_200009817547 [0,2,0,0,0,0|1,0,1]=4 4098 B12R1.1 O=CCNCc1ccc(cc1)O 34a_100000185549_200009817547 [0,2,0,0,0,0|0,0,1]=3 4099 B12R1.1 O=CCNCc1ccc(nc1)O 2230a_100000757128_200015260668 [0,2,0,0,0,0|1,0,1]=4 4100 B12R1.1 O=CCOCc1ccc(cc1)Br 34a_100000695286_200009817547 [0,2,0,0,0,0|1,0,1]=4 4101 B12R1.1 O=CCOCc1ccc(cc1)Cl 34a_100000211118_200009817547 [0,2,0,0,0,0|1,0,1]=4 4102 B12R1.1 O=CCOCc1ccc(cc1)Cl 7a_100000211118_200015260668 [0,2,0,0,0,0|1,0,1]=4 4103 B12R1.1 O=CCOCc1ccc(cc1)F 34a_100000210977_200009817547 [0,2,0,0,0,0|1,0,1]=4 4104 B12R1.1 O=CCOCc1ccc(cc1)F 7a_100000210977_200015260668 [0,2,0,0,0,0|1,0,1]=4 4105 B12R1.1 O=CCOCc1ccc(cc1)I 34a_100000690907_200009817547 [0,2,0,0,0,0|1,0,1]=4 4106 B12R1.1 O=CCOCc1ccc(cc1)I 7a_100000690907_200015260668 [0,2,0,0,0,0|1,0,1]=4 4107 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_100000189115_200015260668 [0,2,0,0,0,0|1,0,1]=4 4108 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_200015260668_100000189115 [0,2,0,0,0,0|1,0,1]=4 4109 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_100000187161_200015260668 [0,2,0,0,0,0|1,0,1]=4 4110 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_200015260668_100000187161 [0,2,0,0,0,0|1,0,1]=4 4111 B12R1.1 O=CCSCc1ccc(cc1)F 62a_100000198546_200015260668 [0,2,0,0,0,0|1,0,1]=4 4112 B12R1.1 O=CCSCc1ccc(cc1)F 62a_200015260668_100000187164 [0,2,0,0,0,0|1,0,1]=4 4113 B12R1.1 O=CCSCc1ccc(cc1)I 62a_100000189116_200015260668 [0,2,0,0,0,0|1,0,1]=4 4114 B12R1.1 O=CCSCc1ccc(cc1)I 62a_200015260668_100000189116 [0,2,0,0,0,0|1,0,1]=4 4115 B12R1.1 O=CNCCc1ccc(cc1)O 271570a_203496583355_200012351260 [0,2,0,0,0,0|0,0,1]=3 4116 B12R1.1 OCCCNc1ccc(cc1)O 34a_100000185829_100000230001 [0,2,0,0,0,0|0,0,2]=4 4117 B12R1.1 OCCCOc1ccc(cc1)O 271570a_203496583355_100000756186 [0,2,0,0,0,0|0,0,2]=4 4118 B12R1.1 OCCCSc1ccc(cc1)O 62a_100011215043_100000185759 [0,2,0,0,0,0|0,0,2]=4 4119 B12R1.1 OCCNCc1ccc(cc1)O 271570a_203496583355_100000186819 [0,2,0,0,0,0|0,0,2]=4 4120 B12R1.1 OCCNCc1ccc(cc1)O 34a_100000185549_100000211926 [0,2,0,0,0,0|0,0,2]=4 4121 B12R1.1 Oc1ccc(cc1)CCNCF 34a_100000743037_100015361967 [0,2,0,0,0,0|0,0,2]=4 4122 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100009816426_100015361967 [0,2,0,0,0,0|0,0,2]=4 4123 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100015361967_100009816426 [0,2,0,0,0,0|0,0,2]=4 4124 B12R1.1 Oc1ccc(cc1)CNCCF 34a_100000185549_100011217306 [0,2,0,0,0,0|0,0,2]=4 4125 B12R1.1 Oc1ccc(cc1)NCCCF 34a_100000185829_100011934791 [0,2,0,0,0,0|0,0,2]=4 4126 B12R1.1 Oc1ccc(cc1)SCCCF 62a_100011934791_100000185759 [0,2,0,0,0,0|0,0,2]=4 4127 B12R1.16 C#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000184674 [0,2,0,0,0,0|0,0,2]=4 4128 B12R1.16 C#CCN(C)c1ccc(cc1)O 34a_100000182112_100000184674 [0,2,0,0,0,0|0,0,2]=4 4129 B12R1.16 C=CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210623 [0,2,0,0,0,0|1,0,0]=3 4130 B12R1.16 C=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210623 [0,2,0,0,0,0|1,0,0]=3 4131 B12R1.16 C=CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210623 [0,2,0,0,0,0|1,0,0]=3 4132 B12R1.16 C=CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210623 [0,2,0,0,0,0|1,0,0]=3 4133 B12R1.16 C=CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210623 [0,2,0,0,0,0|1,0,0]=3 4134 B12R1.16 C=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210623 [0,2,0,0,0,0|0,0,0]=2 4135 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [0,2,0,0,0,0|0,0,0]=2 4136 B12R1.16 C=CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210623 [0,2,0,0,0,0|1,0,0]=3 4137 B12R1.16 C=CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210623 [0,2,0,0,0,0|1,0,0]=3 4138 B12R1.16 C=CCN(C)c1ccc(cc1)Br 34a_100000219623_100015514636 [0,2,0,0,0,0|1,0,0]=3 4139 B12R1.16 C=CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210623 [0,2,0,0,0,0|1,0,0]=3 4140 B12R1.16 C=CCN(C)c1ccc(cc1)C 269982a_100000219977_100000210623 [0,2,0,0,0,0|1,0,0]=3 4141 B12R1.16 C=CCN(C)c1ccc(cc1)C 34a_100000219977_100015514636 [0,2,0,0,0,0|1,0,0]=3 4142 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210623 [0,2,0,0,0,0|1,0,0]=3 4143 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210623 [0,2,0,0,0,0|1,0,0]=3 4144 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 34a_100020629279_100015514636 [0,2,0,0,0,0|1,0,0]=3 4145 B12R1.16 C=CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210623 [0,2,0,0,0,0|1,0,0]=3 4146 B12R1.16 C=CCN(C)c1ccc(cc1)F 269982a_100000219829_100000210623 [0,2,0,0,0,0|1,0,0]=3 4147 B12R1.16 C=CCN(C)c1ccc(cc1)F 34a_100000219829_100015514636 [0,2,0,0,0,0|1,0,0]=3 4148 B12R1.16 C=CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210623 [0,2,0,0,0,0|1,0,0]=3 4149 B12R1.16 C=CCN(C)c1ccc(cc1)I 269982a_100000743151_100000210623 [0,2,0,0,0,0|1,0,0]=3 4150 B12R1.16 C=CCN(C)c1ccc(cc1)I 34a_100000743151_100015514636 [0,2,0,0,0,0|1,0,0]=3 4151 B12R1.16 C=CCN(C)c1ccc(cc1)O 269982a_100000182112_100000210623 [0,2,0,0,0,0|0,0,0]=2 4152 B12R1.16 C=CCN(C)c1ccc(cc1)O 34a_100000182112_100015514636 [0,2,0,0,0,0|0,0,0]=2 4153 B12R1.16 CC(CN[13CH3])c1ccc(cc1)O 34a_200015188644_200025704644 [0,2,0,0,0,0|0,0,2]=4 4154 B12R1.16 CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210303 [0,2,0,0,0,0|0,0,2]=4 4155 B12R1.16 CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011267722 [0,2,0,0,0,0|0,0,2]=4 4156 B12R1.16 CCCC(O)c1ccc(cc1)O 271570a_203496583355_100011350873 [0,2,0,0,0,0|0,0,2]=4 4157 B12R1.16 CCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210303 [0,2,0,0,0,0|0,0,2]=4 4158 B12R1.16 CCCN(C)c1ccc(cc1)O 34a_100000182112_100000210303 [0,2,0,0,0,0|0,0,2]=4 4159 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210202 [0,2,0,0,0,0|0,0,2]=4 4160 B12R1.16 CN(CC#N)c1ccc(cc1)O 269982a_100000182112_100011214920 [0,2,0,0,0,0|1,0,1]=4 4161 B12R1.16 CN(CC=O)c1ccc(cc1)Br 2230a_100000219623_200015260668 [0,2,0,0,0,0|2,0,0]=4 4162 B12R1.16 CN(CC=O)c1ccc(cc1)Br 269982a_100000219623_200015260668 [0,2,0,0,0,0|2,0,0]=4 4163 B12R1.16 CN(CC=O)c1ccc(cc1)Br 34a_100000219623_200009817547 [0,2,0,0,0,0|2,0,0]=4 4164 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 2230a_100020629279_200015260668 [0,2,0,0,0,0|2,0,0]=4 4165 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 269982a_100020629279_200015260668 [0,2,0,0,0,0|2,0,0]=4 4166 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 34a_100020629279_200009817547 [0,2,0,0,0,0|2,0,0]=4 4167 B12R1.16 CN(CC=O)c1ccc(cc1)F 2230a_100000219829_200015260668 [0,2,0,0,0,0|2,0,0]=4 4168 B12R1.16 CN(CC=O)c1ccc(cc1)F 269982a_100000219829_200015260668 [0,2,0,0,0,0|2,0,0]=4 4169 B12R1.16 CN(CC=O)c1ccc(cc1)F 34a_100000219829_200009817547 [0,2,0,0,0,0|2,0,0]=4 4170 B12R1.16 CN(CC=O)c1ccc(cc1)I 2230a_100000743151_200015260668 [0,2,0,0,0,0|2,0,0]=4 4171 B12R1.16 CN(CC=O)c1ccc(cc1)I 269982a_100000743151_200015260668 [0,2,0,0,0,0|2,0,0]=4 4172 B12R1.16 CN(CC=O)c1ccc(cc1)I 34a_100000743151_200009817547 [0,2,0,0,0,0|2,0,0]=4 4173 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [0,2,0,0,0,0|1,0,0]=3 4174 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [0,2,0,0,0,0|1,0,0]=3 4175 B12R1.16 CN(CCF)c1ccc(cc1)O 269982a_100000182112_100011217306 [0,2,0,0,0,0|1,0,1]=4 4176 B12R1.16 CN(CCF)c1ccc(cc1)O 34a_100000182112_100011217306 [0,2,0,0,0,0|1,0,1]=4 4177 B12R1.16 CN(CCO)c1ccc(cc1)O 269982a_100000182112_100000211926 [0,2,0,0,0,0|1,0,1]=4 4178 B12R1.16 CN(CCO)c1ccc(cc1)O 34a_100000182112_100000211926 [0,2,0,0,0,0|1,0,1]=4 4179 B12R1.16 CNCC(=O)c1ccc(cc1)O 34a_100102657272_100009814261 [0,2,0,0,0,0|1,0,1]=4 4180 B12R1.16 CNCC(=O)c1ccc(cc1)O 7a_106832991635_100000018856 [0,2,0,0,0,0|1,0,1]=4 4181 B12R1.16 CNCC(C)c1ccc(cc1)O 34a_200015188644_200000210301 [0,2,0,0,0,0|0,0,2]=4 4182 B12R1.16 CNCC(O)c1ccc(cc1)O 34a_100000067596_200000210301 [0,2,0,0,0,0|0,0,2]=4 4183 B12R1.16 COCC(=O)c1ccc(cc1)O 271570a_203496583355_200011343064 [0,2,0,0,0,0|1,0,1]=4 4184 B12R1.16 COCC(=O)c1ccc(cc1)O 34a_100138415774_100009814261 [0,2,0,0,0,0|1,0,1]=4 4185 B12R1.16 COCN(C)c1ccc(cc1)O 269982a_100000182112_100000766300 [0,2,0,0,0,0|1,0,1]=4 4186 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_100009814261_200000210301 [0,2,0,0,0,0|1,0,1]=4 4187 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_200000210301_100009814261 [0,2,0,0,0,0|1,0,1]=4 4188 B12R1.16 CSCN(C)c1ccc(cc1)O 269982a_100000182112_100011218213 [0,2,0,0,0,0|1,0,1]=4 4189 B12R1.16 CSCN(C)c1ccc(cc1)O 34a_100000182112_100011218213 [0,2,0,0,0,0|1,0,1]=4 4190 B12R1.16 Cc1ccc(cc1)N(C)CC=O 2230a_100000219977_200015260668 [0,2,0,0,0,0|2,0,0]=4 4191 B12R1.16 Cc1ccc(cc1)N(C)CC=O 269982a_100000219977_200015260668 [0,2,0,0,0,0|2,0,0]=4 4192 B12R1.16 Cc1ccc(cc1)N(C)CC=O 34a_100000219977_200009817547 [0,2,0,0,0,0|2,0,0]=4 4193 B12R1.16 N#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100011214920 [0,2,0,0,0,0|1,0,1]=4 4194 B12R1.16 N#CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000740217 [0,2,0,0,0,0|1,0,1]=4 4195 B12R1.16 N[C@@H](CCO)c1ccc(cc1)O 271570a_203496583355_102125605589 [0,2,0,0,0,0|0,0,2]=4 4196 B12R1.16 O=C(CCF)c1ccc(cc1)O 1458a_100000212099_100011217306 [0,2,0,0,0,0|1,0,1]=4 4197 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [0,2,0,0,0,0|1,0,1]=4 4198 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)O 34a_100000067596_200025704644 [0,2,0,0,0,0|0,0,2]=4 4199 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_100009814261_200025704644 [0,2,0,0,0,0|1,0,1]=4 4200 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_200025704644_100009814261 [0,2,0,0,0,0|1,0,1]=4 4201 B12R1.21 C=C(C)CNc1ccc(cc1)Br 2230a_100000210018_100000748629 [0,2,0,0,0,0|1,0,0]=3 4202 B12R1.21 C=C(C)CNc1ccc(cc1)Br 34a_100000210018_100000748629 [0,2,0,0,0,0|1,0,0]=3 4203 B12R1.21 C=C(C)CNc1ccc(cc1)C 34a_100000124888_100000748629 [0,2,0,0,0,0|1,0,0]=3 4204 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748629 [0,2,0,0,0,0|1,0,0]=3 4205 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748629 [0,2,0,0,0,0|1,0,0]=3 4206 B12R1.21 C=C(C)CNc1ccc(cc1)F 34a_100000185862_100000748629 [0,2,0,0,0,0|1,0,0]=3 4207 B12R1.21 C=C(C)CNc1ccc(cc1)I 34a_100000185761_100000748629 [0,2,0,0,0,0|1,0,0]=3 4208 B12R1.21 C=C(C)CNc1ccc(cc1)O 34a_100000185829_100000748629 [0,2,0,0,0,0|0,0,0]=2 4209 B12R1.21 C=C(C)CNc1ccc(cn1)Br 27a_100000765925_100000686858 [0,2,0,0,0,0|2,0,0]=4 4210 B12R1.21 C=C(C)COc1ccc(=O)[nH]c1 34a_100000075641_100000748629 [0,2,0,0,0,0|1,0,1]=4 4211 B12R1.21 C=C(C)COc1ccc(cc1)Br 34a_100000185759_100000748629 [0,2,0,0,0,0|1,0,0]=3 4212 B12R1.21 C=C(C)COc1ccc(cc1)Br 7a_100000185759_100000748629 [0,2,0,0,0,0|1,0,0]=3 4213 B12R1.21 C=C(C)COc1ccc(cc1)C 34a_100000210336_100000748629 [0,2,0,0,0,0|1,0,0]=3 4214 B12R1.21 C=C(C)COc1ccc(cc1)C 7a_100000210336_100000748629 [0,2,0,0,0,0|1,0,0]=3 4215 B12R1.21 C=C(C)COc1ccc(cc1)Cl 34a_100000210216_100000748629 [0,2,0,0,0,0|1,0,0]=3 4216 B12R1.21 C=C(C)COc1ccc(cc1)Cl 7a_100000210216_100000748629 [0,2,0,0,0,0|1,0,0]=3 4217 B12R1.21 C=C(C)COc1ccc(cc1)F 34a_100000210339_100000748629 [0,2,0,0,0,0|1,0,0]=3 4218 B12R1.21 C=C(C)COc1ccc(cc1)I 34a_100000212066_100000748629 [0,2,0,0,0,0|1,0,0]=3 4219 B12R1.21 C=C(C)COc1ccc(cc1)I 7a_100000212066_100000748629 [0,2,0,0,0,0|1,0,0]=3 4220 B12R1.21 C=C(C)COc1ccc(cc1)N 34a_100000185829_100000748629 [0,2,0,0,0,0|1,0,0]=3 4221 B12R1.21 C=C(C)COc1ccc(cn1)C 34a_100000759353_100000748629 [0,2,0,0,0,0|2,0,0]=4 4222 B12R1.21 C=C(C)COc1ccc(cn1)Cl 34a_100011215309_100000748629 [0,2,0,0,0,0|2,0,0]=4 4223 B12R1.21 C=C(C)COc1ccc(cn1)F 34a_100000742473_100000748629 [0,2,0,0,0,0|2,0,0]=4 4224 B12R1.21 C=C(C)COc1ccc(cn1)N 34a_100000729260_100000748629 [0,2,0,0,0,0|2,0,0]=4 4225 B12R1.21 C=C(C)COc1ccc(nc1)Br 34a_100000685995_100000748629 [0,2,0,0,0,0|2,0,0]=4 4226 B12R1.21 C=C(C)COc1ccc(nc1)Br 7a_100000685995_100000748629 [0,2,0,0,0,0|2,0,0]=4 4227 B12R1.21 C=C(C)COc1ccc(nc1)C 34a_100000745506_100000748629 [0,2,0,0,0,0|2,0,0]=4 4228 B12R1.21 C=C(C)COc1ccc(nc1)C 7a_100000745506_100000748629 [0,2,0,0,0,0|2,0,0]=4 4229 B12R1.21 C=C(C)COc1ccc(nc1)Cl 34a_100000744096_100000748629 [0,2,0,0,0,0|2,0,0]=4 4230 B12R1.21 C=C(C)COc1ccc(nc1)Cl 7a_100000744096_100000748629 [0,2,0,0,0,0|2,0,0]=4 4231 B12R1.21 C=C(C)COc1ccc(nc1)F 34a_100000688820_100000748629 [0,2,0,0,0,0|2,0,0]=4 4232 B12R1.21 C=C(C)COc1ccc(nc1)F 7a_100000688820_100000748629 [0,2,0,0,0,0|2,0,0]=4 4233 B12R1.21 C=C(C)COc1ccc(nc1)I 34a_100000687607_100000748629 [0,2,0,0,0,0|2,0,0]=4 4234 B12R1.21 C=C(C)COc1ccc(nc1)I 7a_100000687607_100000748629 [0,2,0,0,0,0|2,0,0]=4 4235 B12R1.21 C=C(C)COc1ccc(nc1)N 34a_100015188713_100000748629 [0,2,0,0,0,0|2,0,0]=4 4236 B12R1.21 C=C(C)COc1ccc(nc1)N 7a_100015188713_100000748629 [0,2,0,0,0,0|2,0,0]=4 4237 B12R1.21 C=C(C)CSc1cc[n+](cc1)[O-] 62a_100000748629_100000039755 [0,2,0,0,0,0|1,0,1]=4 4238 B12R1.21 C=C(C)CSc1ccc(=O)[nH]c1 62a_100000212171_100000211660 [0,2,0,0,0,0|1,0,1]=4 4239 B12R1.21 C=C(C)CSc1ccc(=O)[nH]c1 62a_100000748629_100000212171 [0,2,0,0,0,0|1,0,1]=4 4240 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000748629_100000752885 [0,2,0,0,0,0|1,0,0]=3 4241 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000752885_100000211660 [0,2,0,0,0,0|1,0,0]=3 4242 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000186775_100000211660 [0,2,0,0,0,0|1,0,0]=3 4243 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000748629_100000186775 [0,2,0,0,0,0|1,0,0]=3 4244 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000748629_100000755918 [0,2,0,0,0,0|1,0,0]=3 4245 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000755918_100000211660 [0,2,0,0,0,0|1,0,0]=3 4246 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000211213_100000211660 [0,2,0,0,0,0|1,0,0]=3 4247 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000748629_100000211213 [0,2,0,0,0,0|1,0,0]=3 4248 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000185761_100000211660 [0,2,0,0,0,0|1,0,0]=3 4249 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000748629_100000185761 [0,2,0,0,0,0|1,0,0]=3 4250 B12R1.21 C=C(C)CSc1ccc(cc1)O 62a_100000748629_100000185759 [0,2,0,0,0,0|0,0,0]=2 4251 B12R1.21 C=C(C)CSc1ccc(cn1)Br 62a_100000686858_100000211660 [0,2,0,0,0,0|2,0,0]=4 4252 B12R1.21 C=C(C)CSc1ccc(cn1)Br 62a_100000748629_100000686858 [0,2,0,0,0,0|2,0,0]=4 4253 B12R1.21 C=C(C)CSc1ccc(cn1)C 62a_100000748629_100000754016 [0,2,0,0,0,0|2,0,0]=4 4254 B12R1.21 C=C(C)CSc1ccc(cn1)C 62a_100011192072_100000211660 [0,2,0,0,0,0|2,0,0]=4 4255 B12R1.21 C=C(C)CSc1ccc(cn1)Cl 62a_100000748629_100011356976 [0,2,0,0,0,0|2,0,0]=4 4256 B12R1.21 C=C(C)CSc1ccc(cn1)Cl 62a_100011356976_100000211660 [0,2,0,0,0,0|2,0,0]=4 4257 B12R1.21 C=C(C)CSc1ccc(cn1)F 62a_100000744514_100000211660 [0,2,0,0,0,0|2,0,0]=4 4258 B12R1.21 C=C(C)CSc1ccc(cn1)F 62a_100000748629_100000744514 [0,2,0,0,0,0|2,0,0]=4 4259 B12R1.21 C=C(C)CSc1ccc(cn1)N 62a_100000737798_100000211660 [0,2,0,0,0,0|2,0,0]=4 4260 B12R1.21 C=C(C)CSc1ccc(cn1)N 62a_100000748629_100000737798 [0,2,0,0,0,0|2,0,0]=4 4261 B12R1.21 C=C(C)CSc1ccc(cn1)O 62a_100000685995_100000211660 [0,2,0,0,0,0|1,0,0]=3 4262 B12R1.21 C=C(C)CSc1ccc(cn1)O 62a_100000748629_100000744096 [0,2,0,0,0,0|1,0,0]=3 4263 B12R1.21 C=C(C)CSc1ccc(nc1)Br 62a_100000748629_100009814638 [0,2,0,0,0,0|2,0,0]=4 4264 B12R1.21 C=C(C)CSc1ccc(nc1)Br 62a_100009814638_100000211660 [0,2,0,0,0,0|2,0,0]=4 4265 B12R1.21 C=C(C)CSc1ccc(nc1)C 62a_100000748629_100000751577 [0,2,0,0,0,0|2,0,0]=4 4266 B12R1.21 C=C(C)CSc1ccc(nc1)C 62a_100000751577_100000211660 [0,2,0,0,0,0|2,0,0]=4 4267 B12R1.21 C=C(C)CSc1ccc(nc1)Cl 62a_100000034144_100000211660 [0,2,0,0,0,0|2,0,0]=4 4268 B12R1.21 C=C(C)CSc1ccc(nc1)Cl 62a_100000748629_100000034144 [0,2,0,0,0,0|2,0,0]=4 4269 B12R1.21 C=C(C)CSc1ccc(nc1)F 62a_100000042367_100000211660 [0,2,0,0,0,0|2,0,0]=4 4270 B12R1.21 C=C(C)CSc1ccc(nc1)F 62a_100000748629_100000042367 [0,2,0,0,0,0|2,0,0]=4 4271 B12R1.21 C=C(C)CSc1ccc(nc1)N 62a_100000187370_100000211660 [0,2,0,0,0,0|2,0,0]=4 4272 B12R1.21 C=C(C)CSc1ccc(nc1)N 62a_100000748629_100000187370 [0,2,0,0,0,0|2,0,0]=4 4273 B12R1.21 C=C(C)CSc1cnc(cn1)O 62a_100000748629_100015839800 [0,2,0,0,0,0|2,0,0]=4 4274 B12R1.21 C=C(C)CSc1cnc(cn1)O 62a_100011934580_100000211660 [0,2,0,0,0,0|2,0,0]=4 4275 B12R1.21 C=C(C)CSc1ncc(cn1)O 62a_100000730009_100000211660 [0,2,0,0,0,0|2,0,0]=4 4276 B12R1.21 C=C(C)CSc1ncc(cn1)O 62a_100000748629_100000092845 [0,2,0,0,0,0|2,0,0]=4 4277 B12R1.21 C=C(F)CNc1ccc(cc1)Br 2230a_100000210018_100009893438 [0,2,0,0,0,0|1,0,0]=3 4278 B12R1.21 C=C(F)CNc1ccc(cc1)Br 34a_100000210018_100009893438 [0,2,0,0,0,0|1,0,0]=3 4279 B12R1.21 C=C(F)CNc1ccc(cc1)C 34a_100000124888_100009893438 [0,2,0,0,0,0|1,0,0]=3 4280 B12R1.21 C=C(F)CNc1ccc(cc1)Cl 2230a_100000210052_100009893438 [0,2,0,0,0,0|1,0,0]=3 4281 B12R1.21 C=C(F)CNc1ccc(cc1)Cl 34a_100000210052_100009893438 [0,2,0,0,0,0|1,0,0]=3 4282 B12R1.21 C=C(F)CNc1ccc(cc1)F 34a_100000185862_100009893438 [0,2,0,0,0,0|1,0,0]=3 4283 B12R1.21 C=C(F)CNc1ccc(cc1)I 34a_100000185761_100009893438 [0,2,0,0,0,0|1,0,0]=3 4284 B12R1.21 C=C(F)CNc1ccc(cc1)O 34a_100000185829_100009893438 [0,2,0,0,0,0|0,0,0]=2 4285 B12R1.21 C=C(F)COc1ccc(=O)[nH]c1 34a_100000075641_100009893438 [0,2,0,0,0,0|1,0,1]=4 4286 B12R1.21 C=C(F)COc1ccc(cc1)Br 34a_100000185759_100009893438 [0,2,0,0,0,0|1,0,0]=3 4287 B12R1.21 C=C(F)COc1ccc(cc1)Br 7a_100000185759_100000042424 [0,2,0,0,0,0|1,0,0]=3 4288 B12R1.21 C=C(F)COc1ccc(cc1)C 34a_100000210336_100009893438 [0,2,0,0,0,0|1,0,0]=3 4289 B12R1.21 C=C(F)COc1ccc(cc1)C 7a_100000210336_100000042424 [0,2,0,0,0,0|1,0,0]=3 4290 B12R1.21 C=C(F)COc1ccc(cc1)Cl 34a_100000210216_100009893438 [0,2,0,0,0,0|1,0,0]=3 4291 B12R1.21 C=C(F)COc1ccc(cc1)Cl 7a_100000210216_100000042424 [0,2,0,0,0,0|1,0,0]=3 4292 B12R1.21 C=C(F)COc1ccc(cc1)F 34a_100000210339_100009893438 [0,2,0,0,0,0|1,0,0]=3 4293 B12R1.21 C=C(F)COc1ccc(cc1)I 34a_100000212066_100009893438 [0,2,0,0,0,0|1,0,0]=3 4294 B12R1.21 C=C(F)COc1ccc(cc1)I 7a_100000212066_100000042424 [0,2,0,0,0,0|1,0,0]=3 4295 B12R1.21 C=C(F)COc1ccc(cc1)N 34a_100000185829_100009893438 [0,2,0,0,0,0|1,0,0]=3 4296 B12R1.21 C=C(F)COc1ccc(cn1)C 34a_100000759353_100009893438 [0,2,0,0,0,0|2,0,0]=4 4297 B12R1.21 C=C(F)COc1ccc(cn1)Cl 34a_100011215309_100009893438 [0,2,0,0,0,0|2,0,0]=4 4298 B12R1.21 C=C(F)COc1ccc(cn1)F 34a_100000742473_100009893438 [0,2,0,0,0,0|2,0,0]=4 4299 B12R1.21 C=C(F)COc1ccc(cn1)N 34a_100000729260_100009893438 [0,2,0,0,0,0|2,0,0]=4 4300 B12R1.21 C=C(F)COc1ccc(nc1)Br 34a_100000685995_100009893438 [0,2,0,0,0,0|2,0,0]=4 4301 B12R1.21 C=C(F)COc1ccc(nc1)Br 7a_100000685995_100000042424 [0,2,0,0,0,0|2,0,0]=4 4302 B12R1.21 C=C(F)COc1ccc(nc1)C 34a_100000745506_100009893438 [0,2,0,0,0,0|2,0,0]=4 4303 B12R1.21 C=C(F)COc1ccc(nc1)C 7a_100000745506_100000042424 [0,2,0,0,0,0|2,0,0]=4 4304 B12R1.21 C=C(F)COc1ccc(nc1)Cl 34a_100000744096_100009893438 [0,2,0,0,0,0|2,0,0]=4 4305 B12R1.21 C=C(F)COc1ccc(nc1)Cl 7a_100000744096_100000042424 [0,2,0,0,0,0|2,0,0]=4 4306 B12R1.21 C=C(F)COc1ccc(nc1)F 34a_100000688820_100009893438 [0,2,0,0,0,0|2,0,0]=4 4307 B12R1.21 C=C(F)COc1ccc(nc1)F 7a_100000688820_100000042424 [0,2,0,0,0,0|2,0,0]=4 4308 B12R1.21 C=C(F)COc1ccc(nc1)I 34a_100000687607_100009893438 [0,2,0,0,0,0|2,0,0]=4 4309 B12R1.21 C=C(F)COc1ccc(nc1)I 7a_100000687607_100000042424 [0,2,0,0,0,0|2,0,0]=4 4310 B12R1.21 C=C(F)COc1ccc(nc1)N 34a_100015188713_100009893438 [0,2,0,0,0,0|2,0,0]=4 4311 B12R1.21 C=C(F)COc1ccc(nc1)N 7a_100015188713_100000042424 [0,2,0,0,0,0|2,0,0]=4 4312 B12R1.21 C=C(F)CSc1cc[n+](cc1)[O-] 62a_100000042424_100000039755 [0,2,0,0,0,0|1,0,1]=4 4313 B12R1.21 C=C(F)CSc1ccc(=O)[nH]c1 62a_100000042424_100000212171 [0,2,0,0,0,0|1,0,1]=4 4314 B12R1.21 C=C(F)CSc1ccc(=O)[nH]c1 62a_100000212171_100000042424 [0,2,0,0,0,0|1,0,1]=4 4315 B12R1.21 C=C(F)CSc1ccc(cc1)Br 62a_100000042424_100000752885 [0,2,0,0,0,0|1,0,0]=3 4316 B12R1.21 C=C(F)CSc1ccc(cc1)Br 62a_100000752885_100000042424 [0,2,0,0,0,0|1,0,0]=3 4317 B12R1.21 C=C(F)CSc1ccc(cc1)C 62a_100000042424_100000186775 [0,2,0,0,0,0|1,0,0]=3 4318 B12R1.21 C=C(F)CSc1ccc(cc1)C 62a_100000186775_100000042424 [0,2,0,0,0,0|1,0,0]=3 4319 B12R1.21 C=C(F)CSc1ccc(cc1)Cl 62a_100000042424_100000755918 [0,2,0,0,0,0|1,0,0]=3 4320 B12R1.21 C=C(F)CSc1ccc(cc1)Cl 62a_100000755918_100000042424 [0,2,0,0,0,0|1,0,0]=3 4321 B12R1.21 C=C(F)CSc1ccc(cc1)F 62a_100000042424_100000211213 [0,2,0,0,0,0|1,0,0]=3 4322 B12R1.21 C=C(F)CSc1ccc(cc1)F 62a_100000211213_100000042424 [0,2,0,0,0,0|1,0,0]=3 4323 B12R1.21 C=C(F)CSc1ccc(cc1)N 62a_100000042424_100000185761 [0,2,0,0,0,0|1,0,0]=3 4324 B12R1.21 C=C(F)CSc1ccc(cc1)N 62a_100000185761_100000042424 [0,2,0,0,0,0|1,0,0]=3 4325 B12R1.21 C=C(F)CSc1ccc(cc1)O 62a_100000042424_100000185759 [0,2,0,0,0,0|0,0,0]=2 4326 B12R1.21 C=C(F)CSc1ccc(cn1)Br 62a_100000042424_100000686858 [0,2,0,0,0,0|2,0,0]=4 4327 B12R1.21 C=C(F)CSc1ccc(cn1)Br 62a_100000686858_100000042424 [0,2,0,0,0,0|2,0,0]=4 4328 B12R1.21 C=C(F)CSc1ccc(cn1)C 62a_100000042424_100000754016 [0,2,0,0,0,0|2,0,0]=4 4329 B12R1.21 C=C(F)CSc1ccc(cn1)C 62a_100011192072_100000042424 [0,2,0,0,0,0|2,0,0]=4 4330 B12R1.21 C=C(F)CSc1ccc(cn1)Cl 62a_100000042424_100011356976 [0,2,0,0,0,0|2,0,0]=4 4331 B12R1.21 C=C(F)CSc1ccc(cn1)Cl 62a_100011356976_100000042424 [0,2,0,0,0,0|2,0,0]=4 4332 B12R1.21 C=C(F)CSc1ccc(cn1)F 62a_100000042424_100000744514 [0,2,0,0,0,0|2,0,0]=4 4333 B12R1.21 C=C(F)CSc1ccc(cn1)F 62a_100000744514_100000042424 [0,2,0,0,0,0|2,0,0]=4 4334 B12R1.21 C=C(F)CSc1ccc(cn1)N 62a_100000042424_100000737798 [0,2,0,0,0,0|2,0,0]=4 4335 B12R1.21 C=C(F)CSc1ccc(cn1)N 62a_100000737798_100000042424 [0,2,0,0,0,0|2,0,0]=4 4336 B12R1.21 C=C(F)CSc1ccc(cn1)O 62a_100000042424_100000744096 [0,2,0,0,0,0|1,0,0]=3 4337 B12R1.21 C=C(F)CSc1ccc(cn1)O 62a_100000685995_100000042424 [0,2,0,0,0,0|1,0,0]=3 4338 B12R1.21 C=C(F)CSc1ccc(nc1)Br 62a_100000042424_100009814638 [0,2,0,0,0,0|2,0,0]=4 4339 B12R1.21 C=C(F)CSc1ccc(nc1)Br 62a_100009814638_100000042424 [0,2,0,0,0,0|2,0,0]=4 4340 B12R1.21 C=C(F)CSc1ccc(nc1)C 62a_100000042424_100000751577 [0,2,0,0,0,0|2,0,0]=4 4341 B12R1.21 C=C(F)CSc1ccc(nc1)C 62a_100000751577_100000042424 [0,2,0,0,0,0|2,0,0]=4 4342 B12R1.21 C=C(F)CSc1ccc(nc1)Cl 62a_100000034144_100000042424 [0,2,0,0,0,0|2,0,0]=4 4343 B12R1.21 C=C(F)CSc1ccc(nc1)Cl 62a_100000042424_100000034144 [0,2,0,0,0,0|2,0,0]=4 4344 B12R1.21 C=C(F)CSc1ccc(nc1)F 62a_100000042367_100000042424 [0,2,0,0,0,0|2,0,0]=4 4345 B12R1.21 C=C(F)CSc1ccc(nc1)F 62a_100000042424_100000042367 [0,2,0,0,0,0|2,0,0]=4 4346 B12R1.21 C=C(F)CSc1ccc(nc1)N 62a_100000042424_100000187370 [0,2,0,0,0,0|2,0,0]=4 4347 B12R1.21 C=C(F)CSc1ccc(nc1)N 62a_100000187370_100000042424 [0,2,0,0,0,0|2,0,0]=4 4348 B12R1.21 C=C(F)CSc1cnc(cn1)O 62a_100000042424_100015839800 [0,2,0,0,0,0|2,0,0]=4 4349 B12R1.21 C=C(F)CSc1cnc(cn1)O 62a_100011934580_100000042424 [0,2,0,0,0,0|2,0,0]=4 4350 B12R1.21 C=C(F)CSc1ncc(cn1)O 62a_100000042424_100000092845 [0,2,0,0,0,0|2,0,0]=4 4351 B12R1.21 C=C(F)CSc1ncc(cn1)O 62a_100000730009_100000042424 [0,2,0,0,0,0|2,0,0]=4 4352 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [0,2,0,0,0,0|0,0,1]=3 4353 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [0,2,0,0,0,0|1,0,1]=4 4354 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [0,2,0,0,0,0|1,0,1]=4 4355 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [0,2,0,0,0,0|1,0,1]=4 4356 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [0,2,0,0,0,0|1,0,1]=4 4357 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [0,2,0,0,0,0|1,0,1]=4 4358 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,2,0,0,0,0|1,0,1]=4 4359 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,2,0,0,0,0|1,0,1]=4 4360 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,2,0,0,0,0|1,0,1]=4 4361 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,2,0,0,0,0|1,0,1]=4 4362 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,2,0,0,0,0|1,0,1]=4 4363 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,2,0,0,0,0|1,0,1]=4 4364 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,2,0,0,0,0|1,0,1]=4 4365 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,2,0,0,0,0|1,0,1]=4 4366 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,2,0,0,0,0|1,0,1]=4 4367 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,2,0,0,0,0|0,0,1]=3 4368 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,2,0,0,0,0|0,0,1]=3 4369 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,2,0,0,0,0|0,0,1]=3 4370 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,2,0,0,0,0|1,0,1]=4 4371 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,2,0,0,0,0|1,0,1]=4 4372 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,2,0,0,0,0|1,0,1]=4 4373 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,2,0,0,0,0|1,0,1]=4 4374 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,2,0,0,0,0|1,0,1]=4 4375 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,2,0,0,0,0|0,0,1]=3 4376 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,2,0,0,0,0|1,0,1]=4 4377 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,2,0,0,0,0|1,0,1]=4 4378 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,2,0,0,0,0|1,0,1]=4 4379 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,2,0,0,0,0|1,0,1]=4 4380 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [0,2,0,0,0,0|1,0,1]=4 4381 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [0,2,0,0,0,0|1,0,1]=4 4382 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [0,2,0,0,0,0|1,0,1]=4 4383 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [0,2,0,0,0,0|1,0,1]=4 4384 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [0,2,0,0,0,0|1,0,1]=4 4385 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [0,2,0,0,0,0|1,0,1]=4 4386 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [0,2,0,0,0,0|1,0,1]=4 4387 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [0,2,0,0,0,0|1,0,1]=4 4388 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [0,2,0,0,0,0|1,0,1]=4 4389 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [0,2,0,0,0,0|1,0,1]=4 4390 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [0,2,0,0,0,0|1,0,1]=4 4391 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [0,2,0,0,0,0|1,0,1]=4 4392 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [0,2,0,0,0,0|1,0,1]=4 4393 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [0,2,0,0,0,0|1,0,1]=4 4394 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [0,2,0,0,0,0|1,0,1]=4 4395 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [0,2,0,0,0,0|1,0,1]=4 4396 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [0,2,0,0,0,0|1,0,1]=4 4397 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [0,2,0,0,0,0|1,0,1]=4 4398 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [0,2,0,0,0,0|1,0,1]=4 4399 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [0,2,0,0,0,0|1,0,1]=4 4400 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,2,0,0,0,0|0,0,1]=3 4401 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,2,0,0,0,0|0,0,1]=3 4402 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,2,0,0,0,0|0,0,1]=3 4403 B12R1.21 CC(=O)NCc1ccc(cn1)O 240690a_100020605196_100015343762 [0,2,0,0,0,0|1,0,1]=4 4404 B12R1.21 CC(=O)NCc1ccc(nc1)O 11a_100000757128_100015343762 [0,2,0,0,0,0|1,0,1]=4 4405 B12R1.21 CC(=O)NCc1ccc(nc1)O 240690a_100000757128_100015343762 [0,2,0,0,0,0|1,0,1]=4 4406 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [0,2,0,0,0,0|1,0,1]=4 4407 B12R1.21 CC(C)C=Cc1ccc(cc1)O 271570a_100016257149_100000185759 [0,2,0,0,0,0|0,0,2]=4 4408 B12R1.21 CC(C)CNc1ccc(cc1)O 271570a_203496583355_200011231703 [0,2,0,0,0,0|0,0,2]=4 4409 B12R1.21 CC(C)CNc1ccc(cc1)O 34a_100000185829_100000210624 [0,2,0,0,0,0|0,0,2]=4 4410 B12R1.21 CC(C)COc1ccc(cc1)O 271570a_203496583355_200000169949 [0,2,0,0,0,0|0,0,2]=4 4411 B12R1.21 CC(C)CSc1ccc(cc1)O 62a_100000210624_100000185759 [0,2,0,0,0,0|0,0,2]=4 4412 B12R1.21 CC(C)NCc1ccc(cc1)O 271570a_203496583355_100000195760 [0,2,0,0,0,0|0,0,2]=4 4413 B12R1.21 CC(C)NCc1ccc(cc1)O 34a_100000185549_100000210206 [0,2,0,0,0,0|0,0,2]=4 4414 B12R1.21 CC(C)OCc1ccc(cc1)O 271570a_203496583355_100000758563 [0,2,0,0,0,0|0,0,2]=4 4415 B12R1.21 CC(C)SCc1ccc(cc1)O 271570a_203496583355_100000173087 [0,2,0,0,0,0|0,0,2]=4 4416 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [0,2,0,0,0,0|0,0,2]=4 4417 B12R1.21 CC(O)CNc1ccc(cc1)O 34a_100000185829_100011218427 [0,2,0,0,0,0|0,0,2]=4 4418 B12R1.21 CC(O)CSc1ccc(cc1)O 62a_100011218427_100000185759 [0,2,0,0,0,0|0,0,2]=4 4419 B12R1.21 CN(C)CCc1ccc(cc1)O 2230a_100016989440_200000210301 [0,2,0,0,0,0|0,0,2]=4 4420 B12R1.21 CN(C)CCc1ccc(cc1)O 2230a_100102631434_100009816426 [0,2,0,0,0,0|0,0,2]=4 4421 B12R1.21 CN(C)CCc1ccc(cc1)O 269982a_100016989440_200000210301 [0,2,0,0,0,0|0,0,2]=4 4422 B12R1.21 CN(C)CCc1ccc(cc1)O 269982a_100102631434_100009816426 [0,2,0,0,0,0|0,0,2]=4 4423 B12R1.21 CN(C)CCc1ccc(cc1)O 34a_100016989440_200000210301 [0,2,0,0,0,0|0,0,2]=4 4424 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 2230a_100016989440_200025704644 [0,2,0,0,0,0|0,0,2]=4 4425 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 269982a_100016989440_200025704644 [0,2,0,0,0,0|0,0,2]=4 4426 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 34a_100016989440_200025704644 [0,2,0,0,0,0|0,0,2]=4 4427 B12R1.21 C[C@@H](O)CNc1ccc(cc1)O 34a_100000185829_100009817552 [0,2,0,0,0,0|0,0,2]=4 4428 B12R1.21 C[C@@H](O)CSc1ccc(cc1)O 62a_100009817552_100000185759 [0,2,0,0,0,0|0,0,2]=4 4429 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [0,2,0,0,0,0|1,0,1]=4 4430 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,2,0,0,0,0|1,0,1]=4 4431 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [0,2,0,0,0,0|2,0,0]=4 4432 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [0,2,0,0,0,0|2,0,0]=4 4433 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,2,0,0,0,0|2,0,0]=4 4434 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,2,0,0,0,0|2,0,0]=4 4435 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,2,0,0,0,0|1,0,1]=4 4436 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,2,0,0,0,0|2,0,0]=4 4437 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [0,2,0,0,0,0|2,0,0]=4 4438 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [0,2,0,0,0,0|2,0,0]=4 4439 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,2,0,0,0,0|1,0,1]=4 4440 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,2,0,0,0,0|2,0,0]=4 4441 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,2,0,0,0,0|2,0,0]=4 4442 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,2,0,0,0,0|0,0,1]=3 4443 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [0,2,0,0,0,0|2,0,0]=4 4444 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [0,2,0,0,0,0|2,0,0]=4 4445 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [0,2,0,0,0,0|2,0,0]=4 4446 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [0,2,0,0,0,0|2,0,0]=4 4447 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [0,2,0,0,0,0|2,0,0]=4 4448 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [0,2,0,0,0,0|2,0,0]=4 4449 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,2,0,0,0,0|1,0,0]=3 4450 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,2,0,0,0,0|2,0,0]=4 4451 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,2,0,0,0,0|2,0,0]=4 4452 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,2,0,0,0,0|2,0,0]=4 4453 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,2,0,0,0,0|2,0,0]=4 4454 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,2,0,0,0,0|2,0,0]=4 4455 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,2,0,0,0,0|2,0,0]=4 4456 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,2,0,0,0,0|2,0,0]=4 4457 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,2,0,0,0,0|2,0,0]=4 4458 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [0,2,0,0,0,0|2,0,0]=4 4459 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [0,2,0,0,0,0|2,0,0]=4 4460 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,2,0,0,0,0|2,0,0]=4 4461 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,2,0,0,0,0|2,0,0]=4 4462 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [0,2,0,0,0,0|2,0,0]=4 4463 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [0,2,0,0,0,0|2,0,0]=4 4464 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [0,2,0,0,0,0|2,0,0]=4 4465 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [0,2,0,0,0,0|2,0,0]=4 4466 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,2,0,0,0,0|1,0,0]=3 4467 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,2,0,0,0,0|1,0,0]=3 4468 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000685995_100000747473 [0,2,0,0,0,0|2,0,0]=4 4469 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000747473_100000744096 [0,2,0,0,0,0|2,0,0]=4 4470 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,2,0,0,0,0|2,0,0]=4 4471 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,2,0,0,0,0|2,0,0]=4 4472 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,2,0,0,0,0|2,0,0]=4 4473 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [0,2,0,0,0,0|2,0,0]=4 4474 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,2,0,0,0,0|2,0,0]=4 4475 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [0,2,0,0,0,0|2,0,0]=4 4476 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [0,2,0,0,0,0|2,0,0]=4 4477 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,2,0,0,0,0|1,0,0]=3 4478 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,2,0,0,0,0|2,0,0]=4 4479 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,2,0,0,0,0|2,0,0]=4 4480 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,2,0,0,0,0|2,0,0]=4 4481 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,2,0,0,0,0|2,0,0]=4 4482 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,2,0,0,0,0|2,0,0]=4 4483 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,2,0,0,0,0|2,0,0]=4 4484 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,2,0,0,0,0|2,0,0]=4 4485 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,2,0,0,0,0|2,0,0]=4 4486 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,2,0,0,0,0|2,0,0]=4 4487 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,2,0,0,0,0|2,0,0]=4 4488 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,2,0,0,0,0|1,0,0]=3 4489 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100000685995_100020667443 [0,2,0,0,0,0|2,0,0]=4 4490 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100020667443_100000744096 [0,2,0,0,0,0|2,0,0]=4 4491 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)O 34a_100000185829_100000761209 [0,2,0,0,0,0|2,0,0]=4 4492 B12R1.21 Oc1ccc(cc1)NCC(F)F 34a_100000185829_100011934356 [0,2,0,0,0,0|1,0,1]=4 4493 B12R1.21 Oc1ccc(cc1)SCC(F)F 62a_100011934356_100000185759 [0,2,0,0,0,0|1,0,1]=4 4494 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [0,2,0,0,0,0|1,0,1]=4 4495 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [0,2,0,0,0,0|1,0,1]=4 4496 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [0,2,0,0,0,0|1,0,1]=4 4497 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [0,2,0,0,0,0|1,0,1]=4 4498 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,2,0,0,0,0|1,0,1]=4 4499 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,2,0,0,0,0|1,0,1]=4 4500 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,2,0,0,0,0|1,0,1]=4 4501 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,2,0,0,0,0|1,0,1]=4 4502 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,2,0,0,0,0|0,0,1]=3 4503 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,2,0,0,0,0|1,0,1]=4 4504 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,2,0,0,0,0|1,0,1]=4 4505 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,2,0,0,0,0|1,0,1]=4 4506 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,2,0,0,0,0|1,0,1]=4 4507 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,2,0,0,0,0|0,0,1]=3 4508 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,2,0,0,0,0|1,0,1]=4 4509 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,2,0,0,0,0|1,0,1]=4 4510 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,2,0,0,0,0|1,0,1]=4 4511 B12R1.49 C#CC(=O)Cc1ccc(cc1)Br 1458a_100000211873_100000189115 [0,2,0,0,0,0|1,0,1]=4 4512 B12R1.49 C#CC(=O)Cc1ccc(cc1)C 1458a_100000211873_100000210814 [0,2,0,0,0,0|1,0,1]=4 4513 B12R1.49 C#CC(=O)Cc1ccc(cc1)Cl 1458a_100000211873_100000694040 [0,2,0,0,0,0|1,0,1]=4 4514 B12R1.49 C#CC(=O)Cc1ccc(cc1)F 1458a_100000211873_100000198546 [0,2,0,0,0,0|1,0,1]=4 4515 B12R1.49 C#CC(=O)Cc1ccc(cc1)I 1458a_100000211873_100000189116 [0,2,0,0,0,0|1,0,1]=4 4516 B12R1.49 C#CC(C)Nc1ccc(cc1)O 34a_100000185829_200000035995 [0,2,0,0,0,0|0,0,2]=4 4517 B12R1.49 C#CC(C)Sc1ccc(cc1)O 62a_200000035995_100000185759 [0,2,0,0,0,0|0,0,2]=4 4518 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,2,0,0,0,0|1,0,0]=3 4519 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,2,0,0,0,0|1,0,0]=3 4520 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,2,0,0,0,0|1,0,0]=3 4521 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,2,0,0,0,0|1,0,0]=3 4522 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,2,0,0,0,0|1,0,0]=3 4523 B12R1.49 C=CC(=O)Cc1ccc(cn1)Br 1458a_100000185746_100000702658 [0,2,0,0,0,0|2,0,0]=4 4524 B12R1.49 C=CC(=O)Cc1ccc(cn1)C 1458a_100000185746_100000691093 [0,2,0,0,0,0|2,0,0]=4 4525 B12R1.49 C=CC(=O)Cc1ccc(cn1)Cl 1458a_100000185746_100012066911 [0,2,0,0,0,0|2,0,0]=4 4526 B12R1.49 C=CC(=O)Cc1ccc(cn1)F 1458a_100000185746_100000703193 [0,2,0,0,0,0|2,0,0]=4 4527 B12R1.49 C=CC(=O)Cc1ccc(nc1)Br 1458a_100000185746_100009831999 [0,2,0,0,0,0|2,0,0]=4 4528 B12R1.49 C=CC(=O)Cc1ccc(nc1)C 1458a_100000185746_100016987292 [0,2,0,0,0,0|2,0,0]=4 4529 B12R1.49 C=CC(=O)Cc1ccc(nc1)Cl 1458a_100000185746_100000735431 [0,2,0,0,0,0|2,0,0]=4 4530 B12R1.49 C=CC(=O)Cc1ccc(nc1)F 1458a_100000185746_100009820150 [0,2,0,0,0,0|2,0,0]=4 4531 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [0,2,0,0,0,0|1,0,1]=4 4532 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [0,2,0,0,0,0|1,0,1]=4 4533 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [0,2,0,0,0,0|1,0,1]=4 4534 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [0,2,0,0,0,0|1,0,1]=4 4535 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [0,2,0,0,0,0|1,0,1]=4 4536 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [0,2,0,0,0,0|1,0,1]=4 4537 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [0,2,0,0,0,0|1,0,1]=4 4538 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [0,2,0,0,0,0|1,0,1]=4 4539 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [0,2,0,0,0,0|1,0,1]=4 4540 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [0,2,0,0,0,0|1,0,1]=4 4541 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,2,0,0,0,0|0,0,1]=3 4542 B12R1.49 C=CC(C)Sc1cc[n+](cc1)[O-] 62a_100011215867_100000039755 [0,2,0,0,0,0|1,0,1]=4 4543 B12R1.49 C=CC(C)Sc1ccc(=O)[nH]c1 62a_100011215867_100000212171 [0,2,0,0,0,0|1,0,1]=4 4544 B12R1.49 C=CC(C)Sc1ccc(cc1)Br 62a_100011215867_100000752885 [0,2,0,0,0,0|1,0,0]=3 4545 B12R1.49 C=CC(C)Sc1ccc(cc1)C 62a_100011215867_100000186775 [0,2,0,0,0,0|1,0,0]=3 4546 B12R1.49 C=CC(C)Sc1ccc(cc1)Cl 62a_100011215867_100000755918 [0,2,0,0,0,0|1,0,0]=3 4547 B12R1.49 C=CC(C)Sc1ccc(cc1)F 62a_100011215867_100000211213 [0,2,0,0,0,0|1,0,0]=3 4548 B12R1.49 C=CC(C)Sc1ccc(cc1)N 62a_100011215867_100000185761 [0,2,0,0,0,0|1,0,0]=3 4549 B12R1.49 C=CC(C)Sc1ccc(cc1)O 62a_100011215867_100000185759 [0,2,0,0,0,0|0,0,0]=2 4550 B12R1.49 C=CC(C)Sc1ccc(cn1)Br 62a_100011215867_100000686858 [0,2,0,0,0,0|2,0,0]=4 4551 B12R1.49 C=CC(C)Sc1ccc(cn1)C 62a_100011215867_100000754016 [0,2,0,0,0,0|2,0,0]=4 4552 B12R1.49 C=CC(C)Sc1ccc(cn1)Cl 62a_100011215867_100011356976 [0,2,0,0,0,0|2,0,0]=4 4553 B12R1.49 C=CC(C)Sc1ccc(cn1)F 62a_100011215867_100000744514 [0,2,0,0,0,0|2,0,0]=4 4554 B12R1.49 C=CC(C)Sc1ccc(cn1)N 62a_100011215867_100000737798 [0,2,0,0,0,0|2,0,0]=4 4555 B12R1.49 C=CC(C)Sc1ccc(cn1)O 62a_100011215867_100000744096 [0,2,0,0,0,0|1,0,0]=3 4556 B12R1.49 C=CC(C)Sc1ccc(nc1)Br 62a_100011215867_100009814638 [0,2,0,0,0,0|2,0,0]=4 4557 B12R1.49 C=CC(C)Sc1ccc(nc1)C 62a_100011215867_100000751577 [0,2,0,0,0,0|2,0,0]=4 4558 B12R1.49 C=CC(C)Sc1ccc(nc1)Cl 62a_100011215867_100000034144 [0,2,0,0,0,0|2,0,0]=4 4559 B12R1.49 C=CC(C)Sc1ccc(nc1)F 62a_100011215867_100000042367 [0,2,0,0,0,0|2,0,0]=4 4560 B12R1.49 C=CC(C)Sc1ccc(nc1)N 62a_100011215867_100000187370 [0,2,0,0,0,0|2,0,0]=4 4561 B12R1.49 C=CC(C)Sc1cnc(cn1)O 62a_100011215867_100015839800 [0,2,0,0,0,0|2,0,0]=4 4562 B12R1.49 C=CC(C)Sc1ncc(cn1)O 62a_100011215867_100000092845 [0,2,0,0,0,0|2,0,0]=4 4563 B12R1.49 CC(C#N)Sc1ccc(cc1)O 62a_100000703298_100000185759 [0,2,0,0,0,0|1,0,1]=4 4564 B12R1.49 CC(CO)Nc1ccc(cc1)O 34a_100000185829_100012180447 [0,2,0,0,0,0|1,0,1]=4 4565 B12R1.49 CC(CO)Sc1ccc(cc1)O 62a_100012180447_100000185759 [0,2,0,0,0,0|1,0,1]=4 4566 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 2230a_100102634573_200025704644 [0,2,0,0,0,0|0,0,2]=4 4567 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 34a_100102634573_200025704644 [0,2,0,0,0,0|0,0,2]=4 4568 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [0,2,0,0,0,0|1,0,1]=4 4569 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [0,2,0,0,0,0|1,0,1]=4 4570 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [0,2,0,0,0,0|1,0,1]=4 4571 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [0,2,0,0,0,0|1,0,1]=4 4572 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [0,2,0,0,0,0|1,0,1]=4 4573 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [0,2,0,0,0,0|1,0,1]=4 4574 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [0,2,0,0,0,0|1,0,1]=4 4575 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [0,2,0,0,0,0|1,0,1]=4 4576 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [0,2,0,0,0,0|1,0,1]=4 4577 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [0,2,0,0,0,0|1,0,1]=4 4578 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [0,2,0,0,0,0|0,0,1]=3 4579 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [0,2,0,0,0,0|1,0,1]=4 4580 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [0,2,0,0,0,0|1,0,1]=4 4581 B12R1.49 CCC(C)Nc1ccc(cc1)O 34a_100000185829_100011215416 [0,2,0,0,0,0|0,0,2]=4 4582 B12R1.49 CCC(C)Sc1ccc(cc1)O 62a_100000758301_100000185759 [0,2,0,0,0,0|0,0,2]=4 4583 B12R1.49 CCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210202 [0,2,0,0,0,0|0,0,2]=4 4584 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000204670 [0,2,0,0,0,0|0,0,2]=4 4585 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000748449_200000210301 [0,2,0,0,0,0|0,0,2]=4 4586 B12R1.49 CCN([13CH3])Cc1ccc(cc1)O 269982a_100000748449_200025704644 [0,2,0,0,0,0|0,0,2]=4 4587 B12R1.49 CN(CF)Cc1ccc(cc1)O 269982a_100000207500_100015361967 [0,2,0,0,0,0|1,0,1]=4 4588 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [0,2,0,0,0,0|1,0,1]=4 4589 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [0,2,0,0,0,0|1,0,1]=4 4590 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [0,2,0,0,0,0|1,0,1]=4 4591 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [0,2,0,0,0,0|1,0,1]=4 4592 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [0,2,0,0,0,0|1,0,1]=4 4593 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [0,2,0,0,0,0|1,0,1]=4 4594 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [0,2,0,0,0,0|1,0,1]=4 4595 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [0,2,0,0,0,0|1,0,1]=4 4596 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [0,2,0,0,0,0|1,0,1]=4 4597 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [0,2,0,0,0,0|1,0,1]=4 4598 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [0,2,0,0,0,0|1,0,1]=4 4599 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [0,2,0,0,0,0|1,0,1]=4 4600 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [0,2,0,0,0,0|1,0,1]=4 4601 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [0,2,0,0,0,0|1,0,1]=4 4602 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [0,2,0,0,0,0|1,0,1]=4 4603 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [0,2,0,0,0,0|1,0,1]=4 4604 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [0,2,0,0,0,0|1,0,1]=4 4605 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,2,0,0,0,0|0,0,1]=3 4606 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,2,0,0,0,0|0,0,1]=3 4607 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,2,0,0,0,0|0,0,1]=3 4608 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,2,0,0,0,0|0,0,1]=3 4609 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [0,2,0,0,0,0|1,0,1]=4 4610 B12R1.49 CNC(C)Cc1ccc(cc1)O 2230a_100102634573_200000210301 [0,2,0,0,0,0|0,0,2]=4 4611 B12R1.49 CNC(C)Cc1ccc(cc1)O 270004a_106832991635_100011218180 [0,2,0,0,0,0|0,0,2]=4 4612 B12R1.49 CNC(C)Cc1ccc(cc1)O 34a_100102634573_200000210301 [0,2,0,0,0,0|0,0,2]=4 4613 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [0,2,0,0,0,0|0,0,1]=3 4614 B12R1.49 COC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012362609 [0,2,0,0,0,0|1,0,1]=4 4615 B12R1.49 COC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071674 [0,2,0,0,0,0|1,0,1]=4 4616 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [0,2,0,0,0,0|1,0,1]=4 4617 B12R1.49 COC(C)Sc1ccc(cc1)O 62a_100009879195_100000185759 [0,2,0,0,0,0|1,0,1]=4 4618 B12R1.49 C[C@H](CO)Sc1ccc(cc1)O 62a_100016084084_100000185759 [0,2,0,0,0,0|1,0,1]=4 4619 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [0,2,0,0,0,0|1,0,1]=4 4620 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,2,0,0,0,0|1,0,1]=4 4621 B12R1.49 N#CC(F)Sc1ccc(cc1)O 62a_200000117898_100000185759 [0,2,0,0,0,0|1,0,1]=4 4622 B12R1.49 O=C(CF)Cc1ccc(cc1)Br 1458a_100000198978_100015361967 [0,2,0,0,0,0|1,0,1]=4 4623 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [0,2,0,0,0,0|1,0,1]=4 4624 B12R1.49 O=C(CF)Cc1ccc(cc1)F 1458a_100000210951_100015361967 [0,2,0,0,0,0|1,0,1]=4 4625 B12R1.49 O=C(CF)Cc1ccc(cc1)I 1458a_100000688869_100015361967 [0,2,0,0,0,0|1,0,1]=4 4626 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [0,2,0,0,0,0|0,0,1]=3 4627 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,2,0,0,0,0|1,0,1]=4 4628 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,2,0,0,0,0|1,0,1]=4 4629 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,2,0,0,0,0|1,0,1]=4 4630 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,2,0,0,0,0|1,0,1]=4 4631 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,2,0,0,0,0|1,0,1]=4 4632 B12R1.69 C#CCNc1ccc(cc1Br)O 34a_100012001276_100000184674 [0,2,0,0,0,0|0,0,2]=4 4633 B12R1.69 C#CCNc1ccc(cc1C)O 34a_100000756630_100000184674 [0,2,0,0,0,0|0,0,2]=4 4634 B12R1.69 C#CCNc1ccc(cc1Cl)O 34a_100011215599_100000184674 [0,2,0,0,0,0|0,0,2]=4 4635 B12R1.69 C#CCNc1ccc(cc1F)O 34a_100000759473_100000184674 [0,2,0,0,0,0|0,0,2]=4 4636 B12R1.69 C#CCNc1ccc(cc1I)O 34a_100010084370_100000184674 [0,2,0,0,0,0|0,0,2]=4 4637 B12R1.69 C#CCNc1ccc(cc1O)O 34a_100000106777_100000184674 [0,2,0,0,0,0|0,0,2]=4 4638 B12R1.69 C#CCSc1ccc(cc1Br)O 62a_100000038162_100000701344 [0,2,0,0,0,0|0,0,2]=4 4639 B12R1.69 C#CCSc1ccc(cc1C)O 62a_100000038162_100000690111 [0,2,0,0,0,0|0,0,2]=4 4640 B12R1.69 C#CCSc1ccc(cc1Cl)O 62a_100000038162_100000047559 [0,2,0,0,0,0|0,0,2]=4 4641 B12R1.69 C#CCSc1ccc(cc1F)O 62a_100000038162_100000755031 [0,2,0,0,0,0|0,0,2]=4 4642 B12R1.69 C#CCSc1ccc(cc1N)O 62a_100000038162_100011999798 [0,2,0,0,0,0|0,0,2]=4 4643 B12R1.69 C#CCSc1ccc(cc1O)O 62a_100000038162_100009813921 [0,2,0,0,0,0|0,0,2]=4 4644 B12R1.69 C=CCNc1ccc(cc1Br)Br 34a_100000211012_100015514636 [0,2,0,0,0,0|1,0,0]=3 4645 B12R1.69 C=CCNc1ccc(cc1Br)C 34a_100000210942_100015514636 [0,2,0,0,0,0|1,0,0]=3 4646 B12R1.69 C=CCNc1ccc(cc1Br)Cl 34a_100000752454_100015514636 [0,2,0,0,0,0|1,0,0]=3 4647 B12R1.69 C=CCNc1ccc(cc1Br)F 34a_100000738039_100015514636 [0,2,0,0,0,0|1,0,0]=3 4648 B12R1.69 C=CCNc1ccc(cc1Br)O 34a_100012001276_100015514636 [0,2,0,0,0,0|0,0,0]=2 4649 B12R1.69 C=CCNc1ccc(cc1C)Br 34a_100000211769_100015514636 [0,2,0,0,0,0|1,0,0]=3 4650 B12R1.69 C=CCNc1ccc(cc1C)Br 7a_100000211769_100015514636 [0,2,0,0,0,0|1,0,0]=3 4651 B12R1.69 C=CCNc1ccc(cc1C)C 34a_100000736561_100015514636 [0,2,0,0,0,0|1,0,0]=3 4652 B12R1.69 C=CCNc1ccc(cc1C)C 7a_100000736561_100015514636 [0,2,0,0,0,0|1,0,0]=3 4653 B12R1.69 C=CCNc1ccc(cc1C)Cl 34a_100000210418_100015514636 [0,2,0,0,0,0|1,0,0]=3 4654 B12R1.69 C=CCNc1ccc(cc1C)Cl 7a_100000210418_100015514636 [0,2,0,0,0,0|1,0,0]=3 4655 B12R1.69 C=CCNc1ccc(cc1C)F 34a_100000211637_100015514636 [0,2,0,0,0,0|1,0,0]=3 4656 B12R1.69 C=CCNc1ccc(cc1C)F 7a_100000211637_100015514636 [0,2,0,0,0,0|1,0,0]=3 4657 B12R1.69 C=CCNc1ccc(cc1C)I 34a_100000184554_100015514636 [0,2,0,0,0,0|1,0,0]=3 4658 B12R1.69 C=CCNc1ccc(cc1C)I 7a_100000184554_100015514636 [0,2,0,0,0,0|1,0,0]=3 4659 B12R1.69 C=CCNc1ccc(cc1C)O 34a_100000756630_100015514636 [0,2,0,0,0,0|0,0,0]=2 4660 B12R1.69 C=CCNc1ccc(cc1Cl)Br 34a_100000211467_100015514636 [0,2,0,0,0,0|1,0,0]=3 4661 B12R1.69 C=CCNc1ccc(cc1Cl)C 34a_100000210522_100015514636 [0,2,0,0,0,0|1,0,0]=3 4662 B12R1.69 C=CCNc1ccc(cc1Cl)Cl 34a_100000185861_100015514636 [0,2,0,0,0,0|1,0,0]=3 4663 B12R1.69 C=CCNc1ccc(cc1Cl)F 34a_100000212003_100015514636 [0,2,0,0,0,0|1,0,0]=3 4664 B12R1.69 C=CCNc1ccc(cc1Cl)I 34a_100011218065_100015514636 [0,2,0,0,0,0|1,0,0]=3 4665 B12R1.69 C=CCNc1ccc(cc1Cl)O 34a_100011215599_100015514636 [0,2,0,0,0,0|0,0,0]=2 4666 B12R1.69 C=CCNc1ccc(cc1F)Br 34a_100000210722_100015514636 [0,2,0,0,0,0|1,0,0]=3 4667 B12R1.69 C=CCNc1ccc(cc1F)C 34a_100000211023_100015514636 [0,2,0,0,0,0|1,0,0]=3 4668 B12R1.69 C=CCNc1ccc(cc1F)Cl 34a_100000211020_100015514636 [0,2,0,0,0,0|1,0,0]=3 4669 B12R1.69 C=CCNc1ccc(cc1F)F 34a_100000210720_100015514636 [0,2,0,0,0,0|1,0,0]=3 4670 B12R1.69 C=CCNc1ccc(cc1F)I 34a_100011215594_100015514636 [0,2,0,0,0,0|1,0,0]=3 4671 B12R1.69 C=CCNc1ccc(cc1F)O 34a_100000759473_100015514636 [0,2,0,0,0,0|0,0,0]=2 4672 B12R1.69 C=CCNc1ccc(cc1I)Br 34a_100000187925_100015514636 [0,2,0,0,0,0|1,0,0]=3 4673 B12R1.69 C=CCNc1ccc(cc1I)C 34a_100011356834_100015514636 [0,2,0,0,0,0|1,0,0]=3 4674 B12R1.69 C=CCNc1ccc(cc1I)Cl 34a_100000761889_100015514636 [0,2,0,0,0,0|1,0,0]=3 4675 B12R1.69 C=CCNc1ccc(cc1I)F 34a_100000760547_100015514636 [0,2,0,0,0,0|1,0,0]=3 4676 B12R1.69 C=CCNc1ccc(cc1I)O 34a_100010084370_100015514636 [0,2,0,0,0,0|0,0,0]=2 4677 B12R1.69 C=CCNc1ccc(cc1O)Br 34a_100000739049_100015514636 [0,2,0,0,0,0|1,0,0]=3 4678 B12R1.69 C=CCNc1ccc(cc1O)C 34a_100000211527_100015514636 [0,2,0,0,0,0|1,0,0]=3 4679 B12R1.69 C=CCNc1ccc(cc1O)Cl 34a_100000185728_100015514636 [0,2,0,0,0,0|1,0,0]=3 4680 B12R1.69 C=CCNc1ccc(cc1O)F 34a_100000753323_100015514636 [0,2,0,0,0,0|1,0,0]=3 4681 B12R1.69 C=CCNc1ccc(cc1O)O 34a_100000106777_100015514636 [0,2,0,0,0,0|0,0,0]=2 4682 B12R1.69 C=CCOc1ccc(cc1Br)Br 34a_100000188717_100015514636 [0,2,0,0,0,0|1,0,0]=3 4683 B12R1.69 C=CCOc1ccc(cc1Br)Br 7a_100000188717_100015514636 [0,2,0,0,0,0|1,0,0]=3 4684 B12R1.69 C=CCOc1ccc(cc1Br)C 34a_100000210800_100015514636 [0,2,0,0,0,0|1,0,0]=3 4685 B12R1.69 C=CCOc1ccc(cc1Br)C 7a_100000210800_100015514636 [0,2,0,0,0,0|1,0,0]=3 4686 B12R1.69 C=CCOc1ccc(cc1Br)Cl 34a_100000211998_100015514636 [0,2,0,0,0,0|1,0,0]=3 4687 B12R1.69 C=CCOc1ccc(cc1Br)Cl 7a_100000211998_100015514636 [0,2,0,0,0,0|1,0,0]=3 4688 B12R1.69 C=CCOc1ccc(cc1Br)F 34a_100000211999_100015514636 [0,2,0,0,0,0|1,0,0]=3 4689 B12R1.69 C=CCOc1ccc(cc1Br)F 7a_100000211999_100015514636 [0,2,0,0,0,0|1,0,0]=3 4690 B12R1.69 C=CCOc1ccc(cc1Br)I 34a_100012361655_100015514636 [0,2,0,0,0,0|1,0,0]=3 4691 B12R1.69 C=CCOc1ccc(cc1Br)I 7a_100012361655_100015514636 [0,2,0,0,0,0|1,0,0]=3 4692 B12R1.69 C=CCOc1ccc(cc1Br)N 34a_100011534360_100015514636 [0,2,0,0,0,0|1,0,0]=3 4693 B12R1.69 C=CCOc1ccc(cc1Br)N 7a_100011534360_100015514636 [0,2,0,0,0,0|1,0,0]=3 4694 B12R1.69 C=CCOc1ccc(cc1C)Br 34a_100000186361_100015514636 [0,2,0,0,0,0|1,0,0]=3 4695 B12R1.69 C=CCOc1ccc(cc1C)Br 7a_100000186361_100015514636 [0,2,0,0,0,0|1,0,0]=3 4696 B12R1.69 C=CCOc1ccc(cc1C)C 34a_100000211776_100015514636 [0,2,0,0,0,0|1,0,0]=3 4697 B12R1.69 C=CCOc1ccc(cc1C)C 7a_100000211776_100015514636 [0,2,0,0,0,0|1,0,0]=3 4698 B12R1.69 C=CCOc1ccc(cc1C)Cl 34a_100000211091_100015514636 [0,2,0,0,0,0|1,0,0]=3 4699 B12R1.69 C=CCOc1ccc(cc1C)Cl 7a_100000211091_100015514636 [0,2,0,0,0,0|1,0,0]=3 4700 B12R1.69 C=CCOc1ccc(cc1C)F 34a_100000764316_100015514636 [0,2,0,0,0,0|1,0,0]=3 4701 B12R1.69 C=CCOc1ccc(cc1C)F 7a_100000764316_100015514636 [0,2,0,0,0,0|1,0,0]=3 4702 B12R1.69 C=CCOc1ccc(cc1C)I 34a_100011218673_100015514636 [0,2,0,0,0,0|1,0,0]=3 4703 B12R1.69 C=CCOc1ccc(cc1C)I 7a_100011218673_100015514636 [0,2,0,0,0,0|1,0,0]=3 4704 B12R1.69 C=CCOc1ccc(cc1C)N 34a_100011218179_100015514636 [0,2,0,0,0,0|1,0,0]=3 4705 B12R1.69 C=CCOc1ccc(cc1C)N 7a_100011218179_100015514636 [0,2,0,0,0,0|1,0,0]=3 4706 B12R1.69 C=CCOc1ccc(cc1Cl)Br 34a_100000186472_100015514636 [0,2,0,0,0,0|1,0,0]=3 4707 B12R1.69 C=CCOc1ccc(cc1Cl)Br 7a_100000186472_100015514636 [0,2,0,0,0,0|1,0,0]=3 4708 B12R1.69 C=CCOc1ccc(cc1Cl)C 34a_100000749699_100015514636 [0,2,0,0,0,0|1,0,0]=3 4709 B12R1.69 C=CCOc1ccc(cc1Cl)C 7a_100000749699_100015514636 [0,2,0,0,0,0|1,0,0]=3 4710 B12R1.69 C=CCOc1ccc(cc1Cl)Cl 34a_100015191787_100015514636 [0,2,0,0,0,0|1,0,0]=3 4711 B12R1.69 C=CCOc1ccc(cc1Cl)Cl 7a_100015191787_100015514636 [0,2,0,0,0,0|1,0,0]=3 4712 B12R1.69 C=CCOc1ccc(cc1Cl)F 34a_100000212004_100015514636 [0,2,0,0,0,0|1,0,0]=3 4713 B12R1.69 C=CCOc1ccc(cc1Cl)F 7a_100000212004_100015514636 [0,2,0,0,0,0|1,0,0]=3 4714 B12R1.69 C=CCOc1ccc(cc1Cl)I 34a_100012360047_100015514636 [0,2,0,0,0,0|1,0,0]=3 4715 B12R1.69 C=CCOc1ccc(cc1Cl)I 7a_100012360047_100015514636 [0,2,0,0,0,0|1,0,0]=3 4716 B12R1.69 C=CCOc1ccc(cc1Cl)N 34a_100000744943_100015514636 [0,2,0,0,0,0|1,0,0]=3 4717 B12R1.69 C=CCOc1ccc(cc1Cl)N 7a_100000744943_100015514636 [0,2,0,0,0,0|1,0,0]=3 4718 B12R1.69 C=CCOc1ccc(cc1F)Br 34a_100000185481_100015514636 [0,2,0,0,0,0|1,0,0]=3 4719 B12R1.69 C=CCOc1ccc(cc1F)Br 7a_100000185481_100015514636 [0,2,0,0,0,0|1,0,0]=3 4720 B12R1.69 C=CCOc1ccc(cc1F)C 34a_100011216688_100015514636 [0,2,0,0,0,0|1,0,0]=3 4721 B12R1.69 C=CCOc1ccc(cc1F)C 7a_100011216688_100015514636 [0,2,0,0,0,0|1,0,0]=3 4722 B12R1.69 C=CCOc1ccc(cc1F)Cl 34a_100000230166_100015514636 [0,2,0,0,0,0|1,0,0]=3 4723 B12R1.69 C=CCOc1ccc(cc1F)Cl 7a_100000230166_100015514636 [0,2,0,0,0,0|1,0,0]=3 4724 B12R1.69 C=CCOc1ccc(cc1F)F 34a_100000230127_100015514636 [0,2,0,0,0,0|1,0,0]=3 4725 B12R1.69 C=CCOc1ccc(cc1F)F 7a_100000230127_100015514636 [0,2,0,0,0,0|1,0,0]=3 4726 B12R1.69 C=CCOc1ccc(cc1F)I 34a_100011356965_100015514636 [0,2,0,0,0,0|1,0,0]=3 4727 B12R1.69 C=CCOc1ccc(cc1F)I 7a_100011356965_100015514636 [0,2,0,0,0,0|1,0,0]=3 4728 B12R1.69 C=CCOc1ccc(cc1F)N 34a_100011220035_100015514636 [0,2,0,0,0,0|1,0,0]=3 4729 B12R1.69 C=CCOc1ccc(cc1F)N 7a_100011220035_100015514636 [0,2,0,0,0,0|1,0,0]=3 4730 B12R1.69 C=CCOc1ccc(cc1I)Br 34a_100012355227_100015514636 [0,2,0,0,0,0|1,0,0]=3 4731 B12R1.69 C=CCOc1ccc(cc1I)Br 7a_100012355227_100015514636 [0,2,0,0,0,0|1,0,0]=3 4732 B12R1.69 C=CCOc1ccc(cc1I)C 34a_100000765521_100015514636 [0,2,0,0,0,0|1,0,0]=3 4733 B12R1.69 C=CCOc1ccc(cc1I)C 7a_100000765521_100015514636 [0,2,0,0,0,0|1,0,0]=3 4734 B12R1.69 C=CCOc1ccc(cc1I)Cl 34a_100011356953_100015514636 [0,2,0,0,0,0|1,0,0]=3 4735 B12R1.69 C=CCOc1ccc(cc1I)Cl 7a_100011356953_100015514636 [0,2,0,0,0,0|1,0,0]=3 4736 B12R1.69 C=CCOc1ccc(cc1I)F 34a_100012355409_100015514636 [0,2,0,0,0,0|1,0,0]=3 4737 B12R1.69 C=CCOc1ccc(cc1I)F 7a_100012355409_100015514636 [0,2,0,0,0,0|1,0,0]=3 4738 B12R1.69 C=CCOc1ccc(cc1I)I 7a_100010001573_100015514636 [0,2,0,0,0,0|1,0,0]=3 4739 B12R1.69 C=CCOc1ccc(cc1N)Br 34a_100000752626_100015514636 [0,2,0,0,0,0|1,0,0]=3 4740 B12R1.69 C=CCOc1ccc(cc1N)Br 7a_100000752626_100015514636 [0,2,0,0,0,0|1,0,0]=3 4741 B12R1.69 C=CCOc1ccc(cc1N)C 34a_100011215204_100015514636 [0,2,0,0,0,0|1,0,0]=3 4742 B12R1.69 C=CCOc1ccc(cc1N)C 7a_100011215204_100015514636 [0,2,0,0,0,0|1,0,0]=3 4743 B12R1.69 C=CCOc1ccc(cc1N)Cl 34a_100000210500_100015514636 [0,2,0,0,0,0|1,0,0]=3 4744 B12R1.69 C=CCOc1ccc(cc1N)Cl 7a_100000210500_100015514636 [0,2,0,0,0,0|1,0,0]=3 4745 B12R1.69 C=CCOc1ccc(cc1N)F 34a_100000759472_100015514636 [0,2,0,0,0,0|1,0,0]=3 4746 B12R1.69 C=CCOc1ccc(cc1N)F 7a_100000759472_100015514636 [0,2,0,0,0,0|1,0,0]=3 4747 B12R1.69 C=CCOc1ccc(cc1N)I 34a_100000753495_100015514636 [0,2,0,0,0,0|1,0,0]=3 4748 B12R1.69 C=CCOc1ccc(cc1N)I 7a_100000753495_100015514636 [0,2,0,0,0,0|1,0,0]=3 4749 B12R1.69 C=CCOc1ccc(cc1N)N 34a_100000725306_100015514636 [0,2,0,0,0,0|1,0,0]=3 4750 B12R1.69 C=CCOc1ccc(nc1Br)Br 34a_100009999766_100015514636 [0,2,0,0,0,0|2,0,0]=4 4751 B12R1.69 C=CCOc1ccc(nc1Br)Br 7a_100009999766_100015514636 [0,2,0,0,0,0|2,0,0]=4 4752 B12R1.69 C=CCOc1ccc(nc1Br)C 34a_100000702858_100015514636 [0,2,0,0,0,0|2,0,0]=4 4753 B12R1.69 C=CCOc1ccc(nc1Br)C 7a_100000702858_100015514636 [0,2,0,0,0,0|2,0,0]=4 4754 B12R1.69 C=CCOc1ccc(nc1Br)Cl 34a_100010219353_100015514636 [0,2,0,0,0,0|2,0,0]=4 4755 B12R1.69 C=CCOc1ccc(nc1Br)Cl 7a_100010219353_100015514636 [0,2,0,0,0,0|2,0,0]=4 4756 B12R1.69 C=CCOc1ccc(nc1Br)F 34a_100009887730_100015514636 [0,2,0,0,0,0|2,0,0]=4 4757 B12R1.69 C=CCOc1ccc(nc1Br)F 7a_100009887730_100015514636 [0,2,0,0,0,0|2,0,0]=4 4758 B12R1.69 C=CCOc1ccc(nc1Br)I 34a_100000725334_100015514636 [0,2,0,0,0,0|2,0,0]=4 4759 B12R1.69 C=CCOc1ccc(nc1Br)I 7a_100000725334_100015514636 [0,2,0,0,0,0|2,0,0]=4 4760 B12R1.69 C=CCOc1ccc(nc1C)Br 34a_100012002022_100015514636 [0,2,0,0,0,0|2,0,0]=4 4761 B12R1.69 C=CCOc1ccc(nc1C)Br 7a_100012002022_100015514636 [0,2,0,0,0,0|2,0,0]=4 4762 B12R1.69 C=CCOc1ccc(nc1C)C 34a_100011218912_100015514636 [0,2,0,0,0,0|2,0,0]=4 4763 B12R1.69 C=CCOc1ccc(nc1C)C 7a_100011218912_100015514636 [0,2,0,0,0,0|2,0,0]=4 4764 B12R1.69 C=CCOc1ccc(nc1C)Cl 34a_100012184626_100015514636 [0,2,0,0,0,0|2,0,0]=4 4765 B12R1.69 C=CCOc1ccc(nc1C)Cl 7a_100012184626_100015514636 [0,2,0,0,0,0|2,0,0]=4 4766 B12R1.69 C=CCOc1ccc(nc1C)F 34a_100009881036_100015514636 [0,2,0,0,0,0|2,0,0]=4 4767 B12R1.69 C=CCOc1ccc(nc1C)F 7a_100009881036_100015514636 [0,2,0,0,0,0|2,0,0]=4 4768 B12R1.69 C=CCOc1ccc(nc1C)I 34a_100010233687_100015514636 [0,2,0,0,0,0|2,0,0]=4 4769 B12R1.69 C=CCOc1ccc(nc1C)I 7a_100010233687_100015514636 [0,2,0,0,0,0|2,0,0]=4 4770 B12R1.69 C=CCOc1ccc(nc1Cl)Br 34a_100010246206_100015514636 [0,2,0,0,0,0|2,0,0]=4 4771 B12R1.69 C=CCOc1ccc(nc1Cl)Br 7a_100010246206_100015514636 [0,2,0,0,0,0|2,0,0]=4 4772 B12R1.69 C=CCOc1ccc(nc1Cl)C 34a_100000086286_100015514636 [0,2,0,0,0,0|2,0,0]=4 4773 B12R1.69 C=CCOc1ccc(nc1Cl)C 7a_100000086286_100015514636 [0,2,0,0,0,0|2,0,0]=4 4774 B12R1.69 C=CCOc1ccc(nc1Cl)Cl 34a_100000101165_100015514636 [0,2,0,0,0,0|2,0,0]=4 4775 B12R1.69 C=CCOc1ccc(nc1Cl)Cl 7a_100000101165_100015514636 [0,2,0,0,0,0|2,0,0]=4 4776 B12R1.69 C=CCOc1ccc(nc1Cl)I 34a_100000721234_100015514636 [0,2,0,0,0,0|2,0,0]=4 4777 B12R1.69 C=CCOc1ccc(nc1Cl)I 7a_100000721234_100015514636 [0,2,0,0,0,0|2,0,0]=4 4778 B12R1.69 C=CCOc1ccc(nc1F)Br 34a_100009819667_100015514636 [0,2,0,0,0,0|2,0,0]=4 4779 B12R1.69 C=CCOc1ccc(nc1F)Br 7a_100009819667_100015514636 [0,2,0,0,0,0|2,0,0]=4 4780 B12R1.69 C=CCOc1ccc(nc1F)C 34a_100000079963_100015514636 [0,2,0,0,0,0|2,0,0]=4 4781 B12R1.69 C=CCOc1ccc(nc1F)C 7a_100000079963_100015514636 [0,2,0,0,0,0|2,0,0]=4 4782 B12R1.69 C=CCOc1ccc(nc1F)Cl 34a_100009880201_100015514636 [0,2,0,0,0,0|2,0,0]=4 4783 B12R1.69 C=CCOc1ccc(nc1F)Cl 7a_100009880201_100015514636 [0,2,0,0,0,0|2,0,0]=4 4784 B12R1.69 C=CCOc1ccc(nc1F)F 34a_100000101184_100015514636 [0,2,0,0,0,0|2,0,0]=4 4785 B12R1.69 C=CCOc1ccc(nc1F)F 7a_100000101184_100015514636 [0,2,0,0,0,0|2,0,0]=4 4786 B12R1.69 C=CCOc1ccc(nc1I)Br 34a_100010253912_100015514636 [0,2,0,0,0,0|2,0,0]=4 4787 B12R1.69 C=CCOc1ccc(nc1I)Br 7a_100010253912_100015514636 [0,2,0,0,0,0|2,0,0]=4 4788 B12R1.69 C=CCOc1ccc(nc1I)C 34a_100000023897_100015514636 [0,2,0,0,0,0|2,0,0]=4 4789 B12R1.69 C=CCOc1ccc(nc1I)C 7a_100000023897_100015514636 [0,2,0,0,0,0|2,0,0]=4 4790 B12R1.69 C=CCOc1ccc(nc1I)Cl 34a_100000696390_100015514636 [0,2,0,0,0,0|2,0,0]=4 4791 B12R1.69 C=CCOc1ccc(nc1I)Cl 7a_100000696390_100015514636 [0,2,0,0,0,0|2,0,0]=4 4792 B12R1.69 C=CCOc1ccc(nc1I)F 34a_100010382442_100015514636 [0,2,0,0,0,0|2,0,0]=4 4793 B12R1.69 C=CCOc1ccc(nc1I)F 7a_100010382442_100015514636 [0,2,0,0,0,0|2,0,0]=4 4794 B12R1.69 C=CCOc1ccc(nc1N)Br 34a_100000685527_100015514636 [0,2,0,0,0,0|2,0,0]=4 4795 B12R1.69 C=CCOc1ccc(nc1N)Br 7a_100000685527_100015514636 [0,2,0,0,0,0|2,0,0]=4 4796 B12R1.69 C=CCOc1ccc(nc1N)C 34a_100000694039_100015514636 [0,2,0,0,0,0|2,0,0]=4 4797 B12R1.69 C=CCOc1ccc(nc1N)C 7a_100000694039_100015514636 [0,2,0,0,0,0|2,0,0]=4 4798 B12R1.69 C=CCOc1ccc(nc1N)Cl 34a_100000717809_100015514636 [0,2,0,0,0,0|2,0,0]=4 4799 B12R1.69 C=CCOc1ccc(nc1N)Cl 7a_100000717809_100015514636 [0,2,0,0,0,0|2,0,0]=4 4800 B12R1.69 C=CCOc1cnc(cc1Br)C 34a_100009843476_100015514636 [0,2,0,0,0,0|2,0,0]=4 4801 B12R1.69 C=CCOc1cnc(cc1Br)C 7a_100009843476_100015514636 [0,2,0,0,0,0|2,0,0]=4 4802 B12R1.69 C=CCOc1cnc(cc1C)C 34a_200000068632_100015514636 [0,2,0,0,0,0|2,0,0]=4 4803 B12R1.69 C=CCOc1cnc(cc1C)C 7a_200000068632_100015514636 [0,2,0,0,0,0|2,0,0]=4 4804 B12R1.69 C=CCOc1cnc(cc1C)Cl 34a_100000692680_100015514636 [0,2,0,0,0,0|2,0,0]=4 4805 B12R1.69 C=CCOc1cnc(cc1C)Cl 7a_100000692680_100015514636 [0,2,0,0,0,0|2,0,0]=4 4806 B12R1.69 C=CCOc1cnc(cc1C)F 34a_100009856773_100015514636 [0,2,0,0,0,0|2,0,0]=4 4807 B12R1.69 C=CCOc1cnc(cc1C)F 7a_100009856773_100015514636 [0,2,0,0,0,0|2,0,0]=4 4808 B12R1.69 C=CCOc1cnc(cc1Cl)Cl 34a_100009868576_100015514636 [0,2,0,0,0,0|2,0,0]=4 4809 B12R1.69 C=CCOc1cnc(cc1Cl)Cl 7a_100009868576_100015514636 [0,2,0,0,0,0|2,0,0]=4 4810 B12R1.69 C=CCOc1cnc(cc1F)F 34a_100009885687_100015514636 [0,2,0,0,0,0|2,0,0]=4 4811 B12R1.69 C=CCOc1cnc(cc1F)F 7a_100009885687_100015514636 [0,2,0,0,0,0|2,0,0]=4 4812 B12R1.69 C=CCOc1cnc(cc1I)Cl 34a_100000698892_100015514636 [0,2,0,0,0,0|2,0,0]=4 4813 B12R1.69 C=CCOc1cnc(cc1I)Cl 7a_100000698892_100015514636 [0,2,0,0,0,0|2,0,0]=4 4814 B12R1.69 C=CCOc1cnc(cc1N)Br 34a_100009819941_100015514636 [0,2,0,0,0,0|2,0,0]=4 4815 B12R1.69 C=CCOc1cnc(cc1N)Br 7a_100009819941_100015514636 [0,2,0,0,0,0|2,0,0]=4 4816 B12R1.69 C=CCOc1coc(cc1=O)C 34a_100000081520_100015514636 [0,2,0,0,0,0|2,0,0]=4 4817 B12R1.69 C=CCOc1ncc(cc1Br)Br 34a_100000701035_100015514636 [0,2,0,0,0,0|2,0,0]=4 4818 B12R1.69 C=CCOc1ncc(cc1Br)C 34a_100000719714_100015514636 [0,2,0,0,0,0|2,0,0]=4 4819 B12R1.69 C=CCOc1ncc(cc1C)Br 34a_100000685391_100015514636 [0,2,0,0,0,0|2,0,0]=4 4820 B12R1.69 C=CCOc1ncc(cc1Cl)Br 34a_100012339560_100015514636 [0,2,0,0,0,0|2,0,0]=4 4821 B12R1.69 C=CCOc1ncc(cc1Cl)F 34a_100009847679_100015514636 [0,2,0,0,0,0|2,0,0]=4 4822 B12R1.69 C=CCOc1ncc(cc1F)Cl 34a_100011998252_100015514636 [0,2,0,0,0,0|2,0,0]=4 4823 B12R1.69 C=CCOc1ncc(cc1F)F 34a_100012025737_100015514636 [0,2,0,0,0,0|2,0,0]=4 4824 B12R1.69 C=CCOc1ncc(cc1N)Br 34a_100000743729_100015514636 [0,2,0,0,0,0|2,0,0]=4 4825 B12R1.69 C=CCOc1ncc(cc1N)C 34a_100012000488_100015514636 [0,2,0,0,0,0|2,0,0]=4 4826 B12R1.69 C=CCOc1ncc(cc1N)Cl 34a_100011998249_100015514636 [0,2,0,0,0,0|2,0,0]=4 4827 B12R1.69 C=CCSc1c[nH]c(=O)cc1F 62a_100000210623_100015631685 [0,2,0,0,0,0|1,0,1]=4 4828 B12R1.69 C=CCSc1c[nH]c(=O)cc1F 62a_100015631685_100000210623 [0,2,0,0,0,0|1,0,1]=4 4829 B12R1.69 C=CCSc1cc[n+](cc1C)[O-] 62a_100000210623_100000074940 [0,2,0,0,0,0|1,0,1]=4 4830 B12R1.69 C=CCSc1ccc(=O)[nH]c1N 62a_100009884077_100000210623 [0,2,0,0,0,0|1,0,1]=4 4831 B12R1.69 C=CCSc1ccc(c[n+]1[O-])C 62a_100000210623_100009819918 [0,2,0,0,0,0|2,0,0]=4 4832 B12R1.69 C=CCSc1ccc(c[n+]1[O-])F 62a_100000210623_100009817261 [0,2,0,0,0,0|2,0,0]=4 4833 B12R1.69 C=CCSc1ccc(c[n+]1[O-])F 62a_100009817261_100000210623 [0,2,0,0,0,0|2,0,0]=4 4834 B12R1.69 C=CCSc1ccc(cc1Br)Br 62a_100000210623_100011484698 [0,2,0,0,0,0|1,0,0]=3 4835 B12R1.69 C=CCSc1ccc(cc1Br)Br 62a_100011484698_100000210623 [0,2,0,0,0,0|1,0,0]=3 4836 B12R1.69 C=CCSc1ccc(cc1Br)C 62a_100000210623_100009813563 [0,2,0,0,0,0|1,0,0]=3 4837 B12R1.69 C=CCSc1ccc(cc1Br)C 62a_100009813563_100000210623 [0,2,0,0,0,0|1,0,0]=3 4838 B12R1.69 C=CCSc1ccc(cc1Br)Cl 62a_100000210623_100011219703 [0,2,0,0,0,0|1,0,0]=3 4839 B12R1.69 C=CCSc1ccc(cc1Br)Cl 62a_100011219703_100000210623 [0,2,0,0,0,0|1,0,0]=3 4840 B12R1.69 C=CCSc1ccc(cc1Br)F 62a_100000210623_100011217111 [0,2,0,0,0,0|1,0,0]=3 4841 B12R1.69 C=CCSc1ccc(cc1Br)F 62a_100011217111_100000210623 [0,2,0,0,0,0|1,0,0]=3 4842 B12R1.69 C=CCSc1ccc(cc1Br)N 62a_100000210623_100000750458 [0,2,0,0,0,0|1,0,0]=3 4843 B12R1.69 C=CCSc1ccc(cc1Br)N 62a_100000750458_100000210623 [0,2,0,0,0,0|1,0,0]=3 4844 B12R1.69 C=CCSc1ccc(cc1Br)O 62a_100000210623_100000701344 [0,2,0,0,0,0|0,0,0]=2 4845 B12R1.69 C=CCSc1ccc(cc1Br)O 62a_100000701344_100000210623 [0,2,0,0,0,0|0,0,0]=2 4846 B12R1.69 C=CCSc1ccc(cc1C)Br 62a_100000210623_100000701812 [0,2,0,0,0,0|1,0,0]=3 4847 B12R1.69 C=CCSc1ccc(cc1C)Br 62a_100000701812_100000210623 [0,2,0,0,0,0|1,0,0]=3 4848 B12R1.69 C=CCSc1ccc(cc1C)C 62a_100000210623_100011217332 [0,2,0,0,0,0|1,0,0]=3 4849 B12R1.69 C=CCSc1ccc(cc1C)C 62a_100011217332_100000210623 [0,2,0,0,0,0|1,0,0]=3 4850 B12R1.69 C=CCSc1ccc(cc1C)Cl 62a_100000210623_100011219607 [0,2,0,0,0,0|1,0,0]=3 4851 B12R1.69 C=CCSc1ccc(cc1C)Cl 62a_100011219607_100000210623 [0,2,0,0,0,0|1,0,0]=3 4852 B12R1.69 C=CCSc1ccc(cc1C)F 62a_100000210623_100011205405 [0,2,0,0,0,0|1,0,0]=3 4853 B12R1.69 C=CCSc1ccc(cc1C)F 62a_100011205405_100000210623 [0,2,0,0,0,0|1,0,0]=3 4854 B12R1.69 C=CCSc1ccc(cc1C)N 62a_100000210623_100000210723 [0,2,0,0,0,0|1,0,0]=3 4855 B12R1.69 C=CCSc1ccc(cc1C)N 62a_100000210723_100000210623 [0,2,0,0,0,0|1,0,0]=3 4856 B12R1.69 C=CCSc1ccc(cc1C)O 62a_100000210623_100000690111 [0,2,0,0,0,0|0,0,0]=2 4857 B12R1.69 C=CCSc1ccc(cc1Cl)Br 62a_100000210623_100011216062 [0,2,0,0,0,0|1,0,0]=3 4858 B12R1.69 C=CCSc1ccc(cc1Cl)Br 62a_100011216062_100000210623 [0,2,0,0,0,0|1,0,0]=3 4859 B12R1.69 C=CCSc1ccc(cc1Cl)C 62a_100000210623_100011263221 [0,2,0,0,0,0|1,0,0]=3 4860 B12R1.69 C=CCSc1ccc(cc1Cl)C 62a_100011263221_100000210623 [0,2,0,0,0,0|1,0,0]=3 4861 B12R1.69 C=CCSc1ccc(cc1Cl)Cl 62a_100000210623_100000699841 [0,2,0,0,0,0|1,0,0]=3 4862 B12R1.69 C=CCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210623 [0,2,0,0,0,0|1,0,0]=3 4863 B12R1.69 C=CCSc1ccc(cc1Cl)F 62a_100000210623_100000733362 [0,2,0,0,0,0|1,0,0]=3 4864 B12R1.69 C=CCSc1ccc(cc1Cl)F 62a_100000733362_100000210623 [0,2,0,0,0,0|1,0,0]=3 4865 B12R1.69 C=CCSc1ccc(cc1Cl)N 62a_100000210623_100000761885 [0,2,0,0,0,0|1,0,0]=3 4866 B12R1.69 C=CCSc1ccc(cc1Cl)N 62a_100000761885_100000210623 [0,2,0,0,0,0|1,0,0]=3 4867 B12R1.69 C=CCSc1ccc(cc1Cl)O 62a_100000047559_100000210623 [0,2,0,0,0,0|0,0,0]=2 4868 B12R1.69 C=CCSc1ccc(cc1Cl)O 62a_100000210623_100000047559 [0,2,0,0,0,0|0,0,0]=2 4869 B12R1.69 C=CCSc1ccc(cc1F)Br 62a_100000210623_100009814013 [0,2,0,0,0,0|1,0,0]=3 4870 B12R1.69 C=CCSc1ccc(cc1F)Br 62a_100009814013_100000210623 [0,2,0,0,0,0|1,0,0]=3 4871 B12R1.69 C=CCSc1ccc(cc1F)C 62a_100000210623_100011216119 [0,2,0,0,0,0|1,0,0]=3 4872 B12R1.69 C=CCSc1ccc(cc1F)C 62a_100011216119_100000210623 [0,2,0,0,0,0|1,0,0]=3 4873 B12R1.69 C=CCSc1ccc(cc1F)Cl 62a_100000210623_100011216042 [0,2,0,0,0,0|1,0,0]=3 4874 B12R1.69 C=CCSc1ccc(cc1F)Cl 62a_100011216042_100000210623 [0,2,0,0,0,0|1,0,0]=3 4875 B12R1.69 C=CCSc1ccc(cc1F)F 62a_100000210623_100000750030 [0,2,0,0,0,0|1,0,0]=3 4876 B12R1.69 C=CCSc1ccc(cc1F)F 62a_100000750030_100000210623 [0,2,0,0,0,0|1,0,0]=3 4877 B12R1.69 C=CCSc1ccc(cc1F)N 62a_100000210623_100011356925 [0,2,0,0,0,0|1,0,0]=3 4878 B12R1.69 C=CCSc1ccc(cc1F)N 62a_100011356925_100000210623 [0,2,0,0,0,0|1,0,0]=3 4879 B12R1.69 C=CCSc1ccc(cc1F)O 62a_100000210623_100000755031 [0,2,0,0,0,0|0,0,0]=2 4880 B12R1.69 C=CCSc1ccc(cc1F)O 62a_100000755031_100000210623 [0,2,0,0,0,0|0,0,0]=2 4881 B12R1.69 C=CCSc1ccc(cc1N)Br 62a_100000210623_100000743836 [0,2,0,0,0,0|1,0,0]=3 4882 B12R1.69 C=CCSc1ccc(cc1N)Br 62a_100000743836_100000210623 [0,2,0,0,0,0|1,0,0]=3 4883 B12R1.69 C=CCSc1ccc(cc1N)C 62a_100000210623_100011216686 [0,2,0,0,0,0|1,0,0]=3 4884 B12R1.69 C=CCSc1ccc(cc1N)C 62a_100011216686_100000210623 [0,2,0,0,0,0|1,0,0]=3 4885 B12R1.69 C=CCSc1ccc(cc1N)Cl 62a_100000210623_100000761886 [0,2,0,0,0,0|1,0,0]=3 4886 B12R1.69 C=CCSc1ccc(cc1N)Cl 62a_100000761886_100000210623 [0,2,0,0,0,0|1,0,0]=3 4887 B12R1.69 C=CCSc1ccc(cc1N)F 62a_100000210623_100000687223 [0,2,0,0,0,0|1,0,0]=3 4888 B12R1.69 C=CCSc1ccc(cc1N)F 62a_100000687223_100000210623 [0,2,0,0,0,0|1,0,0]=3 4889 B12R1.69 C=CCSc1ccc(cc1N)N 62a_100000210623_200012175722 [0,2,0,0,0,0|1,0,0]=3 4890 B12R1.69 C=CCSc1ccc(cc1N)N 62a_200012175722_100000210623 [0,2,0,0,0,0|1,0,0]=3 4891 B12R1.69 C=CCSc1ccc(cc1N)O 62a_100000210623_100011999798 [0,2,0,0,0,0|0,0,0]=2 4892 B12R1.69 C=CCSc1ccc(cc1N)O 62a_100011999798_100000210623 [0,2,0,0,0,0|0,0,0]=2 4893 B12R1.69 C=CCSc1ccc(cc1O)Br 62a_100000210623_100012344904 [0,2,0,0,0,0|1,0,0]=3 4894 B12R1.69 C=CCSc1ccc(cc1O)Br 62a_100012344904_100000210623 [0,2,0,0,0,0|1,0,0]=3 4895 B12R1.69 C=CCSc1ccc(cc1O)C 62a_100000210623_100012002257 [0,2,0,0,0,0|1,0,0]=3 4896 B12R1.69 C=CCSc1ccc(cc1O)C 62a_100012002257_100000210623 [0,2,0,0,0,0|1,0,0]=3 4897 B12R1.69 C=CCSc1ccc(cc1O)Cl 62a_100000050036_100000210623 [0,2,0,0,0,0|1,0,0]=3 4898 B12R1.69 C=CCSc1ccc(cc1O)Cl 62a_100000210623_100000050036 [0,2,0,0,0,0|1,0,0]=3 4899 B12R1.69 C=CCSc1ccc(cc1O)F 62a_100000210623_100000690578 [0,2,0,0,0,0|1,0,0]=3 4900 B12R1.69 C=CCSc1ccc(cc1O)F 62a_100000690578_100000210623 [0,2,0,0,0,0|1,0,0]=3 4901 B12R1.69 C=CCSc1ccc(cc1O)O 62a_100000210623_100009813921 [0,2,0,0,0,0|0,0,0]=2 4902 B12R1.69 C=CCSc1ccc(nc1Br)N 62a_100000210623_100010734177 [0,2,0,0,0,0|2,0,0]=4 4903 B12R1.69 C=CCSc1ccc(nc1Br)N 62a_100010734177_100000210623 [0,2,0,0,0,0|2,0,0]=4 4904 B12R1.69 C=CCSc1ccc(nc1C)C 62a_100000210623_100009813853 [0,2,0,0,0,0|2,0,0]=4 4905 B12R1.69 C=CCSc1ccc(nc1C)C 62a_100009813853_100000210623 [0,2,0,0,0,0|2,0,0]=4 4906 B12R1.69 C=CCSc1ccc(nc1C)Cl 62a_100000062408_100000210623 [0,2,0,0,0,0|2,0,0]=4 4907 B12R1.69 C=CCSc1ccc(nc1C)Cl 62a_100000210623_100000062408 [0,2,0,0,0,0|2,0,0]=4 4908 B12R1.69 C=CCSc1ccc(nc1C)F 62a_100000210623_100000688911 [0,2,0,0,0,0|2,0,0]=4 4909 B12R1.69 C=CCSc1ccc(nc1C)F 62a_100000688911_100000210623 [0,2,0,0,0,0|2,0,0]=4 4910 B12R1.69 C=CCSc1ccc(nc1C)N 62a_100000187202_100000210623 [0,2,0,0,0,0|2,0,0]=4 4911 B12R1.69 C=CCSc1ccc(nc1C)N 62a_100000210623_100000187202 [0,2,0,0,0,0|2,0,0]=4 4912 B12R1.69 C=CCSc1ccc(nc1C)O 62a_100000210623_100000691680 [0,2,0,0,0,0|1,0,0]=3 4913 B12R1.69 C=CCSc1ccc(nc1C)O 62a_100000691680_100000210623 [0,2,0,0,0,0|1,0,0]=3 4914 B12R1.69 C=CCSc1ccc(nc1Cl)Br 62a_100000210623_100010246183 [0,2,0,0,0,0|2,0,0]=4 4915 B12R1.69 C=CCSc1ccc(nc1Cl)Br 62a_100010246183_100000210623 [0,2,0,0,0,0|2,0,0]=4 4916 B12R1.69 C=CCSc1ccc(nc1Cl)Cl 62a_100000210623_100000043682 [0,2,0,0,0,0|2,0,0]=4 4917 B12R1.69 C=CCSc1ccc(nc1Cl)N 62a_100000210623_100010270343 [0,2,0,0,0,0|2,0,0]=4 4918 B12R1.69 C=CCSc1ccc(nc1Cl)N 62a_100010270343_100000210623 [0,2,0,0,0,0|2,0,0]=4 4919 B12R1.69 C=CCSc1ccc(nc1F)C 62a_100000210623_100010006597 [0,2,0,0,0,0|2,0,0]=4 4920 B12R1.69 C=CCSc1ccc(nc1F)C 62a_100010006597_100000210623 [0,2,0,0,0,0|2,0,0]=4 4921 B12R1.69 C=CCSc1ccc(nc1F)Cl 62a_100000210623_100010168078 [0,2,0,0,0,0|2,0,0]=4 4922 B12R1.69 C=CCSc1ccc(nc1F)Cl 62a_100010168078_100000210623 [0,2,0,0,0,0|2,0,0]=4 4923 B12R1.69 C=CCSc1ccc(nc1F)F 62a_100000070099_100000210623 [0,2,0,0,0,0|2,0,0]=4 4924 B12R1.69 C=CCSc1ccc(nc1F)F 62a_100000210623_100000070099 [0,2,0,0,0,0|2,0,0]=4 4925 B12R1.69 C=CCSc1ccc(nc1F)N 62a_100000210623_100009882772 [0,2,0,0,0,0|2,0,0]=4 4926 B12R1.69 C=CCSc1ccc(nc1F)N 62a_100009882772_100000210623 [0,2,0,0,0,0|2,0,0]=4 4927 B12R1.69 C=CCSc1ccc(nc1F)O 62a_100000210623_100009879308 [0,2,0,0,0,0|1,0,0]=3 4928 B12R1.69 C=CCSc1ccc(nc1F)O 62a_100009879308_100000210623 [0,2,0,0,0,0|1,0,0]=3 4929 B12R1.69 C=CCSc1ccc(nc1N)C 62a_100000210623_100009816662 [0,2,0,0,0,0|2,0,0]=4 4930 B12R1.69 C=CCSc1ccc(nc1N)C 62a_100009816662_100000210623 [0,2,0,0,0,0|2,0,0]=4 4931 B12R1.69 C=CCSc1ccc(nc1N)Cl 62a_100000210623_100010171640 [0,2,0,0,0,0|2,0,0]=4 4932 B12R1.69 C=CCSc1ccc(nc1N)Cl 62a_100010171640_100000210623 [0,2,0,0,0,0|2,0,0]=4 4933 B12R1.69 C=CCSc1ccc(nc1N)F 62a_100000210623_100009854977 [0,2,0,0,0,0|2,0,0]=4 4934 B12R1.69 C=CCSc1ccc(nc1N)F 62a_100009854977_100000210623 [0,2,0,0,0,0|2,0,0]=4 4935 B12R1.69 C=CCSc1ccc(nc1N)N 62a_100011356871_100000210623 [0,2,0,0,0,0|2,0,0]=4 4936 B12R1.69 C=CCSc1ccc(nc1O)C 62a_100000210623_100009817604 [0,2,0,0,0,0|2,0,0]=4 4937 B12R1.69 C=CCSc1ccc(nc1O)C 62a_100009817604_100000210623 [0,2,0,0,0,0|2,0,0]=4 4938 B12R1.69 C=CCSc1cnc([nH]c1=O)O 62a_100000210623_100011215686 [0,2,0,0,0,0|2,0,0]=4 4939 B12R1.69 C=CCSc1cnc(cc1Br)F 62a_100000210623_100015451857 [0,2,0,0,0,0|2,0,0]=4 4940 B12R1.69 C=CCSc1cnc(cc1Br)F 62a_100015451857_100000210623 [0,2,0,0,0,0|2,0,0]=4 4941 B12R1.69 C=CCSc1cnc(cc1Br)N 62a_100000210623_100010074611 [0,2,0,0,0,0|2,0,0]=4 4942 B12R1.69 C=CCSc1cnc(cc1Br)N 62a_100010074611_100000210623 [0,2,0,0,0,0|2,0,0]=4 4943 B12R1.69 C=CCSc1cnc(cc1C)Br 62a_100000210623_100009816104 [0,2,0,0,0,0|2,0,0]=4 4944 B12R1.69 C=CCSc1cnc(cc1C)Br 62a_100009816104_100000210623 [0,2,0,0,0,0|2,0,0]=4 4945 B12R1.69 C=CCSc1cnc(cc1C)C 62a_100000210623_100009819613 [0,2,0,0,0,0|2,0,0]=4 4946 B12R1.69 C=CCSc1cnc(cc1C)C 62a_100009819613_100000210623 [0,2,0,0,0,0|2,0,0]=4 4947 B12R1.69 C=CCSc1cnc(cc1C)Cl 62a_100000210623_100010172789 [0,2,0,0,0,0|2,0,0]=4 4948 B12R1.69 C=CCSc1cnc(cc1C)Cl 62a_100010172789_100000210623 [0,2,0,0,0,0|2,0,0]=4 4949 B12R1.69 C=CCSc1cnc(cc1C)F 62a_100000210623_100009820716 [0,2,0,0,0,0|2,0,0]=4 4950 B12R1.69 C=CCSc1cnc(cc1C)F 62a_100009820716_100000210623 [0,2,0,0,0,0|2,0,0]=4 4951 B12R1.69 C=CCSc1cnc(cc1C)N 62a_100000050067_100000210623 [0,2,0,0,0,0|2,0,0]=4 4952 B12R1.69 C=CCSc1cnc(cc1C)N 62a_100000210623_100000050067 [0,2,0,0,0,0|2,0,0]=4 4953 B12R1.69 C=CCSc1cnc(cc1C)O 62a_100000210623_100000766222 [0,2,0,0,0,0|1,0,0]=3 4954 B12R1.69 C=CCSc1cnc(cc1C)O 62a_100000766222_100000210623 [0,2,0,0,0,0|1,0,0]=3 4955 B12R1.69 C=CCSc1cnc(cc1Cl)Br 62a_100000210623_100010381092 [0,2,0,0,0,0|2,0,0]=4 4956 B12R1.69 C=CCSc1cnc(cc1Cl)Br 62a_100010381092_100000210623 [0,2,0,0,0,0|2,0,0]=4 4957 B12R1.69 C=CCSc1cnc(cc1Cl)Cl 62a_100000210623_100010200927 [0,2,0,0,0,0|2,0,0]=4 4958 B12R1.69 C=CCSc1cnc(cc1Cl)Cl 62a_100010200927_100000210623 [0,2,0,0,0,0|2,0,0]=4 4959 B12R1.69 C=CCSc1cnc(cc1Cl)N 62a_100000210623_100000694920 [0,2,0,0,0,0|2,0,0]=4 4960 B12R1.69 C=CCSc1cnc(cc1Cl)N 62a_100000694920_100000210623 [0,2,0,0,0,0|2,0,0]=4 4961 B12R1.69 C=CCSc1cnc(cc1F)Cl 62a_100000210623_100010128100 [0,2,0,0,0,0|2,0,0]=4 4962 B12R1.69 C=CCSc1cnc(cc1F)Cl 62a_100010128100_100000210623 [0,2,0,0,0,0|2,0,0]=4 4963 B12R1.69 C=CCSc1cnc(cc1F)N 62a_100000210623_100009844730 [0,2,0,0,0,0|2,0,0]=4 4964 B12R1.69 C=CCSc1cnc(cc1F)N 62a_100009844730_100000210623 [0,2,0,0,0,0|2,0,0]=4 4965 B12R1.69 C=CCSc1cnc(cc1N)C 62a_100000210623_100009817891 [0,2,0,0,0,0|2,0,0]=4 4966 B12R1.69 C=CCSc1cnc(cc1N)C 62a_100009817891_100000210623 [0,2,0,0,0,0|2,0,0]=4 4967 B12R1.69 C=CCSc1cnc(cc1N)Cl 62a_100000210623_100010209552 [0,2,0,0,0,0|2,0,0]=4 4968 B12R1.69 C=CCSc1cnc(cc1N)Cl 62a_100010209552_100000210623 [0,2,0,0,0,0|2,0,0]=4 4969 B12R1.69 C=CCSc1cnc(cc1N)N 62a_100000210623_200009857908 [0,2,0,0,0,0|2,0,0]=4 4970 B12R1.69 C=CCSc1cnc(cc1N)N 62a_200009857908_100000210623 [0,2,0,0,0,0|2,0,0]=4 4971 B12R1.69 C=CCSc1cnc(cc1O)C 62a_100000210623_100011016184 [0,2,0,0,0,0|2,0,0]=4 4972 B12R1.69 C=CCSc1cnc(cc1O)C 62a_100011016184_100000210623 [0,2,0,0,0,0|2,0,0]=4 4973 B12R1.69 C=CCSc1ncc(cc1Br)Cl 62a_100000210623_100012154958 [0,2,0,0,0,0|2,0,0]=4 4974 B12R1.69 C=CCSc1ncc(cc1Br)Cl 62a_100012154958_100000210623 [0,2,0,0,0,0|2,0,0]=4 4975 B12R1.69 C=CCSc1ncc(cc1C)Br 62a_100000210623_100012353652 [0,2,0,0,0,0|2,0,0]=4 4976 B12R1.69 C=CCSc1ncc(cc1C)Br 62a_100012353652_100000210623 [0,2,0,0,0,0|2,0,0]=4 4977 B12R1.69 C=CCSc1ncc(cc1C)C 62a_100000210623_100009864548 [0,2,0,0,0,0|2,0,0]=4 4978 B12R1.69 C=CCSc1ncc(cc1C)C 62a_100009864548_100000210623 [0,2,0,0,0,0|2,0,0]=4 4979 B12R1.69 C=CCSc1ncc(cc1C)F 62a_100000210623_100009817009 [0,2,0,0,0,0|2,0,0]=4 4980 B12R1.69 C=CCSc1ncc(cc1C)F 62a_100009817009_100000210623 [0,2,0,0,0,0|2,0,0]=4 4981 B12R1.69 C=CCSc1ncc(cc1C)N 62a_100000210623_100000761747 [0,2,0,0,0,0|2,0,0]=4 4982 B12R1.69 C=CCSc1ncc(cc1C)N 62a_100000761747_100000210623 [0,2,0,0,0,0|2,0,0]=4 4983 B12R1.69 C=CCSc1ncc(cc1C)O 62a_100000210623_100012000486 [0,2,0,0,0,0|1,0,0]=3 4984 B12R1.69 C=CCSc1ncc(cc1C)O 62a_100012000486_100000210623 [0,2,0,0,0,0|1,0,0]=3 4985 B12R1.69 C=CCSc1ncc(cc1F)Br 62a_100000210623_100012348576 [0,2,0,0,0,0|2,0,0]=4 4986 B12R1.69 C=CCSc1ncc(cc1F)Br 62a_100012348576_100000210623 [0,2,0,0,0,0|2,0,0]=4 4987 B12R1.69 C=CCSc1ncc(cc1F)C 62a_100000210623_100009819633 [0,2,0,0,0,0|2,0,0]=4 4988 B12R1.69 C=CCSc1ncc(cc1F)C 62a_100009819633_100000210623 [0,2,0,0,0,0|2,0,0]=4 4989 B12R1.69 C=CCSc1ncc(cc1F)Cl 62a_100000210623_100012348686 [0,2,0,0,0,0|2,0,0]=4 4990 B12R1.69 C=CCSc1ncc(cc1F)Cl 62a_100012348686_100000210623 [0,2,0,0,0,0|2,0,0]=4 4991 B12R1.69 C=CCSc1ncc(cc1F)F 62a_100000210623_100011219543 [0,2,0,0,0,0|2,0,0]=4 4992 B12R1.69 C=CCSc1ncc(cc1F)F 62a_100011219543_100000210623 [0,2,0,0,0,0|2,0,0]=4 4993 B12R1.69 C=CCSc1ncc(cc1F)N 62a_100000210623_100010280766 [0,2,0,0,0,0|2,0,0]=4 4994 B12R1.69 C=CCSc1ncc(cc1F)N 62a_100010280766_100000210623 [0,2,0,0,0,0|2,0,0]=4 4995 B12R1.69 C=CCSc1ncc(cc1F)O 62a_100000210623_100000063512 [0,2,0,0,0,0|1,0,0]=3 4996 B12R1.69 C=CCSc1ncc(cc1N)Br 62a_100000210623_100010090555 [0,2,0,0,0,0|2,0,0]=4 4997 B12R1.69 C=CCSc1ncc(cc1N)Br 62a_100010090555_100000210623 [0,2,0,0,0,0|2,0,0]=4 4998 B12R1.69 C=CCSc1ncc(cc1N)C 62a_100000210623_100000733613 [0,2,0,0,0,0|2,0,0]=4 4999 B12R1.69 C=CCSc1ncc(cc1N)C 62a_100000733613_100000210623 [0,2,0,0,0,0|2,0,0]=4 5000 B12R1.69 C=CCSc1ncc(cc1N)F 62a_100000210623_100009817643 [0,2,0,0,0,0|2,0,0]=4 5001 B12R1.69 C=CCSc1ncc(cc1N)F 62a_100009817643_100000210623 [0,2,0,0,0,0|2,0,0]=4 5002 B12R1.69 C=CCSc1ncc(cc1N)N 62a_100000210623_200000093520 [0,2,0,0,0,0|2,0,0]=4 5003 B12R1.69 C=CCSc1ncc(cc1N)N 62a_200000093520_100000210623 [0,2,0,0,0,0|2,0,0]=4 5004 B12R1.69 C=CCSc1ncc(cc1O)Br 62a_100000210623_100010210634 [0,2,0,0,0,0|2,0,0]=4 5005 B12R1.69 C=CCSc1ncc(cc1O)Br 62a_100010210634_100000210623 [0,2,0,0,0,0|2,0,0]=4 5006 B12R1.69 C=CCSc1ncc(cc1O)C 62a_100000210623_100012000487 [0,2,0,0,0,0|2,0,0]=4 5007 B12R1.69 C=CCSc1ncc(cc1O)Cl 62a_100000210623_100010233512 [0,2,0,0,0,0|2,0,0]=4 5008 B12R1.69 C=CCSc1ncc(cc1O)Cl 62a_100010233512_100000210623 [0,2,0,0,0,0|2,0,0]=4 5009 B12R1.69 C=CCSc1ncc(cc1O)F 62a_100000210623_100000079967 [0,2,0,0,0,0|2,0,0]=4 5010 B12R1.69 C=CCSc1ncc(cc1O)F 62a_100009820119_100000210623 [0,2,0,0,0,0|2,0,0]=4 5011 B12R1.69 CCCCc1ccc(cc1Br)O 271570a_100020621405_100000701344 [0,2,0,0,0,0|0,0,2]=4 5012 B12R1.69 CCCCc1ccc(cc1C)O 271570a_100020621405_100000729255 [0,2,0,0,0,0|0,0,2]=4 5013 B12R1.69 CCCCc1ccc(cc1Cl)O 271570a_100020621405_100000047559 [0,2,0,0,0,0|0,0,2]=4 5014 B12R1.69 CCCCc1ccc(cc1F)O 271570a_100020621405_100000755031 [0,2,0,0,0,0|0,0,2]=4 5015 B12R1.69 CCCCc1ccc(cc1N)O 271570a_100020621405_100011999798 [0,2,0,0,0,0|0,0,2]=4 5016 B12R1.69 CCCCc1ccc(cc1O)O 271570a_100020621405_100009813921 [0,2,0,0,0,0|0,0,2]=4 5017 B12R1.69 CCCNc1ccc(cc1Br)O 34a_100012001276_100000210303 [0,2,0,0,0,0|0,0,2]=4 5018 B12R1.69 CCCNc1ccc(cc1C)O 34a_100000756630_100000210303 [0,2,0,0,0,0|0,0,2]=4 5019 B12R1.69 CCCNc1ccc(cc1Cl)O 34a_100011215599_100000210303 [0,2,0,0,0,0|0,0,2]=4 5020 B12R1.69 CCCNc1ccc(cc1F)O 34a_100000759473_100000210303 [0,2,0,0,0,0|0,0,2]=4 5021 B12R1.69 CCCNc1ccc(cc1I)O 34a_100010084370_100000210303 [0,2,0,0,0,0|0,0,2]=4 5022 B12R1.69 CCCNc1ccc(cc1O)O 34a_100000106777_100000210303 [0,2,0,0,0,0|0,0,2]=4 5023 B12R1.69 CCCSc1ccc(cc1Br)O 62a_100000210303_100000701344 [0,2,0,0,0,0|0,0,2]=4 5024 B12R1.69 CCCSc1ccc(cc1Br)O 62a_100000701344_100000210303 [0,2,0,0,0,0|0,0,2]=4 5025 B12R1.69 CCCSc1ccc(cc1C)O 62a_100000210303_100000690111 [0,2,0,0,0,0|0,0,2]=4 5026 B12R1.69 CCCSc1ccc(cc1Cl)O 62a_100000047559_100000210303 [0,2,0,0,0,0|0,0,2]=4 5027 B12R1.69 CCCSc1ccc(cc1Cl)O 62a_100000210303_100000047559 [0,2,0,0,0,0|0,0,2]=4 5028 B12R1.69 CCCSc1ccc(cc1F)O 62a_100000210303_100000755031 [0,2,0,0,0,0|0,0,2]=4 5029 B12R1.69 CCCSc1ccc(cc1F)O 62a_100000755031_100000210303 [0,2,0,0,0,0|0,0,2]=4 5030 B12R1.69 CCCSc1ccc(cc1N)O 62a_100000210303_100011999798 [0,2,0,0,0,0|0,0,2]=4 5031 B12R1.69 CCCSc1ccc(cc1N)O 62a_100011999798_100000210303 [0,2,0,0,0,0|0,0,2]=4 5032 B12R1.69 CCCSc1ccc(cc1O)O 62a_100000210303_100009813921 [0,2,0,0,0,0|0,0,2]=4 5033 B12R1.69 CCNCc1ccc(cc1Cl)O 34a_200161156549_100000210202 [0,2,0,0,0,0|0,0,2]=4 5034 B12R1.69 COCOc1ccc(cc1F)O 271570a_203496583355_100009812708 [0,2,0,0,0,0|1,0,1]=4 5035 B12R1.69 COCSc1ccc(cc1Br)O 62a_100000701344_100000766300 [0,2,0,0,0,0|1,0,1]=4 5036 B12R1.69 COCSc1ccc(cc1Br)O 62a_100000766300_100000701344 [0,2,0,0,0,0|1,0,1]=4 5037 B12R1.69 COCSc1ccc(cc1C)O 62a_100000766300_100000690111 [0,2,0,0,0,0|1,0,1]=4 5038 B12R1.69 COCSc1ccc(cc1Cl)O 62a_100000047559_100000766300 [0,2,0,0,0,0|1,0,1]=4 5039 B12R1.69 COCSc1ccc(cc1Cl)O 62a_100000766300_100000047559 [0,2,0,0,0,0|1,0,1]=4 5040 B12R1.69 COCSc1ccc(cc1F)O 62a_100000755031_100000766300 [0,2,0,0,0,0|1,0,1]=4 5041 B12R1.69 COCSc1ccc(cc1F)O 62a_100000766300_100000755031 [0,2,0,0,0,0|1,0,1]=4 5042 B12R1.69 COCSc1ccc(cc1N)O 62a_100000766300_100011999798 [0,2,0,0,0,0|1,0,1]=4 5043 B12R1.69 COCSc1ccc(cc1N)O 62a_100011999798_100000766300 [0,2,0,0,0,0|1,0,1]=4 5044 B12R1.69 COCSc1ccc(cc1O)O 62a_100000766300_100009813921 [0,2,0,0,0,0|1,0,1]=4 5045 B12R1.69 CSCNc1ccc(cc1Br)O 34a_100012001276_100011218213 [0,2,0,0,0,0|1,0,1]=4 5046 B12R1.69 CSCNc1ccc(cc1C)O 34a_100000756630_100011218213 [0,2,0,0,0,0|1,0,1]=4 5047 B12R1.69 CSCNc1ccc(cc1Cl)O 34a_100011215599_100011218213 [0,2,0,0,0,0|1,0,1]=4 5048 B12R1.69 CSCNc1ccc(cc1F)O 34a_100000759473_100011218213 [0,2,0,0,0,0|1,0,1]=4 5049 B12R1.69 CSCNc1ccc(cc1I)O 34a_100010084370_100011218213 [0,2,0,0,0,0|1,0,1]=4 5050 B12R1.69 CSCNc1ccc(cc1O)O 34a_100000106777_100011218213 [0,2,0,0,0,0|1,0,1]=4 5051 B12R1.69 CSCSc1ccc(cc1Br)O 62a_100000701344_100011218213 [0,2,0,0,0,0|1,0,1]=4 5052 B12R1.69 CSCSc1ccc(cc1Br)O 62a_100011218213_100000701344 [0,2,0,0,0,0|1,0,1]=4 5053 B12R1.69 CSCSc1ccc(cc1C)O 62a_100011218213_100000690111 [0,2,0,0,0,0|1,0,1]=4 5054 B12R1.69 CSCSc1ccc(cc1Cl)O 62a_100000047559_100011218213 [0,2,0,0,0,0|1,0,1]=4 5055 B12R1.69 CSCSc1ccc(cc1Cl)O 62a_100011218213_100000047559 [0,2,0,0,0,0|1,0,1]=4 5056 B12R1.69 CSCSc1ccc(cc1F)O 62a_100000755031_100011218213 [0,2,0,0,0,0|1,0,1]=4 5057 B12R1.69 CSCSc1ccc(cc1F)O 62a_100011218213_100000755031 [0,2,0,0,0,0|1,0,1]=4 5058 B12R1.69 CSCSc1ccc(cc1N)O 62a_100011218213_100011999798 [0,2,0,0,0,0|1,0,1]=4 5059 B12R1.69 CSCSc1ccc(cc1N)O 62a_100011999798_100011218213 [0,2,0,0,0,0|1,0,1]=4 5060 B12R1.69 CSCSc1ccc(cc1O)O 62a_100011218213_100009813921 [0,2,0,0,0,0|1,0,1]=4 5061 B12R1.69 Cc1cc(ccc1NCC=O)Br 34a_100000211769_200009817547 [0,2,0,0,0,0|2,0,0]=4 5062 B12R1.69 Cc1cc(ccc1NCC=O)Br 7a_100000211769_200015260668 [0,2,0,0,0,0|2,0,0]=4 5063 B12R1.69 Cc1cc(ccc1NCC=O)Cl 34a_100000210418_200009817547 [0,2,0,0,0,0|2,0,0]=4 5064 B12R1.69 Cc1cc(ccc1NCC=O)Cl 7a_100000210418_200015260668 [0,2,0,0,0,0|2,0,0]=4 5065 B12R1.69 Cc1cc(ccc1NCC=O)F 34a_100000211637_200009817547 [0,2,0,0,0,0|2,0,0]=4 5066 B12R1.69 Cc1cc(ccc1NCC=O)F 7a_100000211637_200015260668 [0,2,0,0,0,0|2,0,0]=4 5067 B12R1.69 Cc1cc(ccc1NCC=O)I 34a_100000184554_200009817547 [0,2,0,0,0,0|2,0,0]=4 5068 B12R1.69 Cc1cc(ccc1NCC=O)I 7a_100000184554_200015260668 [0,2,0,0,0,0|2,0,0]=4 5069 B12R1.69 Cc1cc(ccc1NCC=O)O 34a_100000756630_200009817547 [0,2,0,0,0,0|1,0,0]=3 5070 B12R1.69 Cc1cc(ccc1NCCF)O 34a_100000756630_100011217306 [0,2,0,0,0,0|1,0,1]=4 5071 B12R1.69 Cc1cc(ccc1NCCO)O 34a_100000756630_100000211926 [0,2,0,0,0,0|1,0,1]=4 5072 B12R1.69 Cc1cc(ccc1OCC=O)Br 34a_100000186361_200009817547 [0,2,0,0,0,0|2,0,0]=4 5073 B12R1.69 Cc1cc(ccc1OCC=O)Br 7a_100000186361_200015260668 [0,2,0,0,0,0|2,0,0]=4 5074 B12R1.69 Cc1cc(ccc1OCC=O)Cl 34a_100000211091_200009817547 [0,2,0,0,0,0|2,0,0]=4 5075 B12R1.69 Cc1cc(ccc1OCC=O)Cl 7a_100000211091_200015260668 [0,2,0,0,0,0|2,0,0]=4 5076 B12R1.69 Cc1cc(ccc1OCC=O)F 34a_100000764316_200009817547 [0,2,0,0,0,0|2,0,0]=4 5077 B12R1.69 Cc1cc(ccc1OCC=O)F 7a_100000764316_200015260668 [0,2,0,0,0,0|2,0,0]=4 5078 B12R1.69 Cc1cc(ccc1OCC=O)I 34a_100011218673_200009817547 [0,2,0,0,0,0|2,0,0]=4 5079 B12R1.69 Cc1cc(ccc1OCC=O)I 7a_100011218673_200015260668 [0,2,0,0,0,0|2,0,0]=4 5080 B12R1.69 Cc1cc(ccc1OCC=O)N 34a_100011218179_200009817547 [0,2,0,0,0,0|2,0,0]=4 5081 B12R1.69 Cc1cc(ccc1OCC=O)N 7a_100011218179_200015260668 [0,2,0,0,0,0|2,0,0]=4 5082 B12R1.69 Cc1cc(ccc1SCC#N)O 62a_100011215382_100000690111 [0,2,0,0,0,0|1,0,1]=4 5083 B12R1.69 Cc1cc(ccc1SCC=O)Br 62a_100000701812_200015260668 [0,2,0,0,0,0|2,0,0]=4 5084 B12R1.69 Cc1cc(ccc1SCC=O)Br 62a_200015260668_100000701812 [0,2,0,0,0,0|2,0,0]=4 5085 B12R1.69 Cc1cc(ccc1SCC=O)Cl 62a_100011219607_200015260668 [0,2,0,0,0,0|2,0,0]=4 5086 B12R1.69 Cc1cc(ccc1SCC=O)Cl 62a_200015260668_100011219607 [0,2,0,0,0,0|2,0,0]=4 5087 B12R1.69 Cc1cc(ccc1SCC=O)F 62a_100011205405_200015260668 [0,2,0,0,0,0|2,0,0]=4 5088 B12R1.69 Cc1cc(ccc1SCC=O)F 62a_200015260668_100011205405 [0,2,0,0,0,0|2,0,0]=4 5089 B12R1.69 Cc1cc(ccc1SCC=O)N 62a_100000210723_200015260668 [0,2,0,0,0,0|2,0,0]=4 5090 B12R1.69 Cc1cc(ccc1SCC=O)N 62a_200015260668_100000210723 [0,2,0,0,0,0|2,0,0]=4 5091 B12R1.69 Cc1cc(ccc1SCC=O)O 62a_200015260668_100000690111 [0,2,0,0,0,0|1,0,0]=3 5092 B12R1.69 Cc1cc(ccc1SCCF)O 62a_100011217306_100000690111 [0,2,0,0,0,0|1,0,1]=4 5093 B12R1.69 Cc1cc(ccc1SCCO)O 62a_100000211926_100000690111 [0,2,0,0,0,0|1,0,1]=4 5094 B12R1.69 Cc1cc(cnc1SCC=O)O 62a_100012000486_200015260668 [0,2,0,0,0,0|2,0,0]=4 5095 B12R1.69 Cc1cc(cnc1SCC=O)O 62a_200015260668_100012000486 [0,2,0,0,0,0|2,0,0]=4 5096 B12R1.69 Cc1cc(ncc1SCC=O)O 62a_100000766222_200015260668 [0,2,0,0,0,0|2,0,0]=4 5097 B12R1.69 Cc1cc(ncc1SCC=O)O 62a_200015260668_100000766222 [0,2,0,0,0,0|2,0,0]=4 5098 B12R1.69 Cc1ccc(c(c1)Br)NCC=O 34a_100000210942_200009817547 [0,2,0,0,0,0|2,0,0]=4 5099 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 34a_100000210800_200009817547 [0,2,0,0,0,0|2,0,0]=4 5100 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 7a_100000210800_200015260668 [0,2,0,0,0,0|2,0,0]=4 5101 B12R1.69 Cc1ccc(c(c1)Br)SCC=O 62a_100009813563_200015260668 [0,2,0,0,0,0|2,0,0]=4 5102 B12R1.69 Cc1ccc(c(c1)Br)SCC=O 62a_200015260668_100009813563 [0,2,0,0,0,0|2,0,0]=4 5103 B12R1.69 Cc1ccc(c(c1)C)NCC=O 34a_100000736561_200009817547 [0,2,0,0,0,0|2,0,0]=4 5104 B12R1.69 Cc1ccc(c(c1)C)NCC=O 7a_100000736561_200015260668 [0,2,0,0,0,0|2,0,0]=4 5105 B12R1.69 Cc1ccc(c(c1)C)OCC=O 34a_100000211776_200009817547 [0,2,0,0,0,0|2,0,0]=4 5106 B12R1.69 Cc1ccc(c(c1)C)OCC=O 7a_100000211776_200015260668 [0,2,0,0,0,0|2,0,0]=4 5107 B12R1.69 Cc1ccc(c(c1)C)SCC=O 62a_100011217332_200015260668 [0,2,0,0,0,0|2,0,0]=4 5108 B12R1.69 Cc1ccc(c(c1)C)SCC=O 62a_200015260668_100011217332 [0,2,0,0,0,0|2,0,0]=4 5109 B12R1.69 Cc1ccc(c(c1)Cl)NCC=O 34a_100000210522_200009817547 [0,2,0,0,0,0|2,0,0]=4 5110 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 34a_100000749699_200009817547 [0,2,0,0,0,0|2,0,0]=4 5111 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 7a_100000749699_200015260668 [0,2,0,0,0,0|2,0,0]=4 5112 B12R1.69 Cc1ccc(c(c1)Cl)SCC=O 62a_100011263221_200015260668 [0,2,0,0,0,0|2,0,0]=4 5113 B12R1.69 Cc1ccc(c(c1)Cl)SCC=O 62a_200015260668_100011263221 [0,2,0,0,0,0|2,0,0]=4 5114 B12R1.69 Cc1ccc(c(c1)F)NCC=O 34a_100000211023_200009817547 [0,2,0,0,0,0|2,0,0]=4 5115 B12R1.69 Cc1ccc(c(c1)F)OCC=O 34a_100011216688_200009817547 [0,2,0,0,0,0|2,0,0]=4 5116 B12R1.69 Cc1ccc(c(c1)F)OCC=O 7a_100011216688_200015260668 [0,2,0,0,0,0|2,0,0]=4 5117 B12R1.69 Cc1ccc(c(c1)F)SCC=O 62a_100011216119_200015260668 [0,2,0,0,0,0|2,0,0]=4 5118 B12R1.69 Cc1ccc(c(c1)F)SCC=O 62a_200015260668_100011216119 [0,2,0,0,0,0|2,0,0]=4 5119 B12R1.69 Cc1ccc(c(c1)I)NCC=O 34a_100011356834_200009817547 [0,2,0,0,0,0|2,0,0]=4 5120 B12R1.69 Cc1ccc(c(c1)I)OCC=O 34a_100000765521_200009817547 [0,2,0,0,0,0|2,0,0]=4 5121 B12R1.69 Cc1ccc(c(c1)I)OCC=O 7a_100000765521_200015260668 [0,2,0,0,0,0|2,0,0]=4 5122 B12R1.69 Cc1ccc(c(c1)N)OCC=O 34a_100011215204_200009817547 [0,2,0,0,0,0|2,0,0]=4 5123 B12R1.69 Cc1ccc(c(c1)N)OCC=O 7a_100011215204_200015260668 [0,2,0,0,0,0|2,0,0]=4 5124 B12R1.69 Cc1ccc(c(c1)N)SCC=O 62a_100011216686_200015260668 [0,2,0,0,0,0|2,0,0]=4 5125 B12R1.69 Cc1ccc(c(c1)N)SCC=O 62a_200015260668_100011216686 [0,2,0,0,0,0|2,0,0]=4 5126 B12R1.69 Cc1ccc(c(c1)O)NCC=O 34a_100000211527_200009817547 [0,2,0,0,0,0|2,0,0]=4 5127 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_100012002257_200015260668 [0,2,0,0,0,0|2,0,0]=4 5128 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_200015260668_100012002257 [0,2,0,0,0,0|2,0,0]=4 5129 B12R1.69 Cc1nc(ccc1SCC=O)O 62a_100000691680_200015260668 [0,2,0,0,0,0|2,0,0]=4 5130 B12R1.69 Cc1nc(ccc1SCC=O)O 62a_200015260668_100000691680 [0,2,0,0,0,0|2,0,0]=4 5131 B12R1.69 N#CCSc1ccc(cc1Br)O 62a_100000701344_100011215382 [0,2,0,0,0,0|1,0,1]=4 5132 B12R1.69 N#CCSc1ccc(cc1Br)O 62a_100011215382_100000701344 [0,2,0,0,0,0|1,0,1]=4 5133 B12R1.69 N#CCSc1ccc(cc1Cl)O 62a_100000047559_100011215382 [0,2,0,0,0,0|1,0,1]=4 5134 B12R1.69 N#CCSc1ccc(cc1Cl)O 62a_100011215382_100000047559 [0,2,0,0,0,0|1,0,1]=4 5135 B12R1.69 N#CCSc1ccc(cc1F)O 62a_100000755031_100011215382 [0,2,0,0,0,0|1,0,1]=4 5136 B12R1.69 N#CCSc1ccc(cc1F)O 62a_100011215382_100000755031 [0,2,0,0,0,0|1,0,1]=4 5137 B12R1.69 N#CCSc1ccc(cc1N)O 62a_100011215382_100011999798 [0,2,0,0,0,0|1,0,1]=4 5138 B12R1.69 N#CCSc1ccc(cc1N)O 62a_100011999798_100011215382 [0,2,0,0,0,0|1,0,1]=4 5139 B12R1.69 N#CCSc1ccc(cc1O)O 62a_100011215382_100009813921 [0,2,0,0,0,0|1,0,1]=4 5140 B12R1.69 Nc1cc(ccc1OCC=O)Br 34a_100000752626_200009817547 [0,2,0,0,0,0|2,0,0]=4 5141 B12R1.69 Nc1cc(ccc1OCC=O)Br 7a_100000752626_200015260668 [0,2,0,0,0,0|2,0,0]=4 5142 B12R1.69 Nc1cc(ccc1OCC=O)Cl 34a_100000210500_200009817547 [0,2,0,0,0,0|2,0,0]=4 5143 B12R1.69 Nc1cc(ccc1OCC=O)Cl 7a_100000210500_200015260668 [0,2,0,0,0,0|2,0,0]=4 5144 B12R1.69 Nc1cc(ccc1OCC=O)F 34a_100000759472_200009817547 [0,2,0,0,0,0|2,0,0]=4 5145 B12R1.69 Nc1cc(ccc1OCC=O)F 7a_100000759472_200015260668 [0,2,0,0,0,0|2,0,0]=4 5146 B12R1.69 Nc1cc(ccc1OCC=O)I 34a_100000753495_200009817547 [0,2,0,0,0,0|2,0,0]=4 5147 B12R1.69 Nc1cc(ccc1OCC=O)I 7a_100000753495_200015260668 [0,2,0,0,0,0|2,0,0]=4 5148 B12R1.69 Nc1cc(ccc1SCC=O)Br 62a_100000743836_200015260668 [0,2,0,0,0,0|2,0,0]=4 5149 B12R1.69 Nc1cc(ccc1SCC=O)Br 62a_200015260668_100000743836 [0,2,0,0,0,0|2,0,0]=4 5150 B12R1.69 Nc1cc(ccc1SCC=O)Cl 62a_100000761886_200015260668 [0,2,0,0,0,0|2,0,0]=4 5151 B12R1.69 Nc1cc(ccc1SCC=O)Cl 62a_200015260668_100000761886 [0,2,0,0,0,0|2,0,0]=4 5152 B12R1.69 Nc1cc(ccc1SCC=O)F 62a_100000687223_200015260668 [0,2,0,0,0,0|2,0,0]=4 5153 B12R1.69 Nc1cc(ccc1SCC=O)F 62a_200015260668_100000687223 [0,2,0,0,0,0|2,0,0]=4 5154 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_100011999798_200015260668 [0,2,0,0,0,0|1,0,0]=3 5155 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_200015260668_100011999798 [0,2,0,0,0,0|1,0,0]=3 5156 B12R1.69 Nc1cc(ccc1SCCF)O 62a_100011217306_100011999798 [0,2,0,0,0,0|1,0,1]=4 5157 B12R1.69 Nc1cc(ccc1SCCF)O 62a_100011999798_100011217306 [0,2,0,0,0,0|1,0,1]=4 5158 B12R1.69 Nc1cc(ccc1SCCO)O 62a_100000211926_100011999798 [0,2,0,0,0,0|1,0,1]=4 5159 B12R1.69 Nc1cc(ccc1SCCO)O 62a_100011999798_100000211926 [0,2,0,0,0,0|1,0,1]=4 5160 B12R1.69 Nc1ccc(c(c1)Br)OCC=O 34a_100011534360_200009817547 [0,2,0,0,0,0|2,0,0]=4 5161 B12R1.69 Nc1ccc(c(c1)Br)OCC=O 7a_100011534360_200015260668 [0,2,0,0,0,0|2,0,0]=4 5162 B12R1.69 Nc1ccc(c(c1)Br)SCC=O 62a_100000750458_200015260668 [0,2,0,0,0,0|2,0,0]=4 5163 B12R1.69 Nc1ccc(c(c1)Br)SCC=O 62a_200015260668_100000750458 [0,2,0,0,0,0|2,0,0]=4 5164 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 34a_100000744943_200009817547 [0,2,0,0,0,0|2,0,0]=4 5165 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 7a_100000744943_200015260668 [0,2,0,0,0,0|2,0,0]=4 5166 B12R1.69 Nc1ccc(c(c1)Cl)SCC=O 62a_100000761885_200015260668 [0,2,0,0,0,0|2,0,0]=4 5167 B12R1.69 Nc1ccc(c(c1)Cl)SCC=O 62a_200015260668_100000761885 [0,2,0,0,0,0|2,0,0]=4 5168 B12R1.69 Nc1ccc(c(c1)F)OCC=O 34a_100011220035_200009817547 [0,2,0,0,0,0|2,0,0]=4 5169 B12R1.69 Nc1ccc(c(c1)F)OCC=O 7a_100011220035_200015260668 [0,2,0,0,0,0|2,0,0]=4 5170 B12R1.69 Nc1ccc(c(c1)F)SCC=O 62a_100011356925_200015260668 [0,2,0,0,0,0|2,0,0]=4 5171 B12R1.69 Nc1ccc(c(c1)F)SCC=O 62a_200015260668_100011356925 [0,2,0,0,0,0|2,0,0]=4 5172 B12R1.69 Nc1ccc(c(c1)N)OCC=O 34a_100000725306_200009817547 [0,2,0,0,0,0|2,0,0]=4 5173 B12R1.69 Nc1ccc(c(c1)N)SCC=O 62a_200012175722_200015260668 [0,2,0,0,0,0|2,0,0]=4 5174 B12R1.69 Nc1ccc(c(c1)N)SCC=O 62a_200015260668_200012175722 [0,2,0,0,0,0|2,0,0]=4 5175 B12R1.69 O=CCNc1ccc(cc1Br)Br 34a_100000211012_200009817547 [0,2,0,0,0,0|2,0,0]=4 5176 B12R1.69 O=CCNc1ccc(cc1Br)Cl 34a_100000752454_200009817547 [0,2,0,0,0,0|2,0,0]=4 5177 B12R1.69 O=CCNc1ccc(cc1Br)F 34a_100000738039_200009817547 [0,2,0,0,0,0|2,0,0]=4 5178 B12R1.69 O=CCNc1ccc(cc1Br)O 34a_100012001276_200009817547 [0,2,0,0,0,0|1,0,0]=3 5179 B12R1.69 O=CCNc1ccc(cc1Cl)Br 34a_100000211467_200009817547 [0,2,0,0,0,0|2,0,0]=4 5180 B12R1.69 O=CCNc1ccc(cc1Cl)Cl 34a_100000185861_200009817547 [0,2,0,0,0,0|2,0,0]=4 5181 B12R1.69 O=CCNc1ccc(cc1Cl)F 34a_100000212003_200009817547 [0,2,0,0,0,0|2,0,0]=4 5182 B12R1.69 O=CCNc1ccc(cc1Cl)I 34a_100011218065_200009817547 [0,2,0,0,0,0|2,0,0]=4 5183 B12R1.69 O=CCNc1ccc(cc1Cl)O 34a_100011215599_200009817547 [0,2,0,0,0,0|1,0,0]=3 5184 B12R1.69 O=CCNc1ccc(cc1F)Br 34a_100000210722_200009817547 [0,2,0,0,0,0|2,0,0]=4 5185 B12R1.69 O=CCNc1ccc(cc1F)Cl 34a_100000211020_200009817547 [0,2,0,0,0,0|2,0,0]=4 5186 B12R1.69 O=CCNc1ccc(cc1F)F 34a_100000210720_200009817547 [0,2,0,0,0,0|2,0,0]=4 5187 B12R1.69 O=CCNc1ccc(cc1F)I 34a_100011215594_200009817547 [0,2,0,0,0,0|2,0,0]=4 5188 B12R1.69 O=CCNc1ccc(cc1F)O 34a_100000759473_200009817547 [0,2,0,0,0,0|1,0,0]=3 5189 B12R1.69 O=CCNc1ccc(cc1I)Br 34a_100000187925_200009817547 [0,2,0,0,0,0|2,0,0]=4 5190 B12R1.69 O=CCNc1ccc(cc1I)Cl 34a_100000761889_200009817547 [0,2,0,0,0,0|2,0,0]=4 5191 B12R1.69 O=CCNc1ccc(cc1I)F 34a_100000760547_200009817547 [0,2,0,0,0,0|2,0,0]=4 5192 B12R1.69 O=CCNc1ccc(cc1I)O 34a_100010084370_200009817547 [0,2,0,0,0,0|1,0,0]=3 5193 B12R1.69 O=CCNc1ccc(cc1O)Br 34a_100000739049_200009817547 [0,2,0,0,0,0|2,0,0]=4 5194 B12R1.69 O=CCNc1ccc(cc1O)Cl 34a_100000185728_200009817547 [0,2,0,0,0,0|2,0,0]=4 5195 B12R1.69 O=CCNc1ccc(cc1O)F 34a_100000753323_200009817547 [0,2,0,0,0,0|2,0,0]=4 5196 B12R1.69 O=CCNc1ccc(cc1O)O 34a_100000106777_200009817547 [0,2,0,0,0,0|1,0,0]=3 5197 B12R1.69 O=CCOc1ccc(cc1Br)Br 34a_100000188717_200009817547 [0,2,0,0,0,0|2,0,0]=4 5198 B12R1.69 O=CCOc1ccc(cc1Br)Br 7a_100000188717_200015260668 [0,2,0,0,0,0|2,0,0]=4 5199 B12R1.69 O=CCOc1ccc(cc1Br)Cl 34a_100000211998_200009817547 [0,2,0,0,0,0|2,0,0]=4 5200 B12R1.69 O=CCOc1ccc(cc1Br)Cl 7a_100000211998_200015260668 [0,2,0,0,0,0|2,0,0]=4 5201 B12R1.69 O=CCOc1ccc(cc1Br)F 34a_100000211999_200009817547 [0,2,0,0,0,0|2,0,0]=4 5202 B12R1.69 O=CCOc1ccc(cc1Br)F 7a_100000211999_200015260668 [0,2,0,0,0,0|2,0,0]=4 5203 B12R1.69 O=CCOc1ccc(cc1Br)I 34a_100012361655_200009817547 [0,2,0,0,0,0|2,0,0]=4 5204 B12R1.69 O=CCOc1ccc(cc1Br)I 7a_100012361655_200015260668 [0,2,0,0,0,0|2,0,0]=4 5205 B12R1.69 O=CCOc1ccc(cc1Cl)Br 34a_100000186472_200009817547 [0,2,0,0,0,0|2,0,0]=4 5206 B12R1.69 O=CCOc1ccc(cc1Cl)Br 7a_100000186472_200015260668 [0,2,0,0,0,0|2,0,0]=4 5207 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 34a_100015191787_200009817547 [0,2,0,0,0,0|2,0,0]=4 5208 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 7a_100015191787_200015260668 [0,2,0,0,0,0|2,0,0]=4 5209 B12R1.69 O=CCOc1ccc(cc1Cl)F 34a_100000212004_200009817547 [0,2,0,0,0,0|2,0,0]=4 5210 B12R1.69 O=CCOc1ccc(cc1Cl)F 7a_100000212004_200015260668 [0,2,0,0,0,0|2,0,0]=4 5211 B12R1.69 O=CCOc1ccc(cc1Cl)I 34a_100012360047_200009817547 [0,2,0,0,0,0|2,0,0]=4 5212 B12R1.69 O=CCOc1ccc(cc1Cl)I 7a_100012360047_200015260668 [0,2,0,0,0,0|2,0,0]=4 5213 B12R1.69 O=CCOc1ccc(cc1F)Br 34a_100000185481_200009817547 [0,2,0,0,0,0|2,0,0]=4 5214 B12R1.69 O=CCOc1ccc(cc1F)Br 7a_100000185481_200015260668 [0,2,0,0,0,0|2,0,0]=4 5215 B12R1.69 O=CCOc1ccc(cc1F)Cl 34a_100000230166_200009817547 [0,2,0,0,0,0|2,0,0]=4 5216 B12R1.69 O=CCOc1ccc(cc1F)Cl 7a_100000230166_200015260668 [0,2,0,0,0,0|2,0,0]=4 5217 B12R1.69 O=CCOc1ccc(cc1F)F 34a_100000230127_200009817547 [0,2,0,0,0,0|2,0,0]=4 5218 B12R1.69 O=CCOc1ccc(cc1F)F 7a_100000230127_200015260668 [0,2,0,0,0,0|2,0,0]=4 5219 B12R1.69 O=CCOc1ccc(cc1F)I 34a_100011356965_200009817547 [0,2,0,0,0,0|2,0,0]=4 5220 B12R1.69 O=CCOc1ccc(cc1F)I 7a_100011356965_200015260668 [0,2,0,0,0,0|2,0,0]=4 5221 B12R1.69 O=CCOc1ccc(cc1I)Br 34a_100012355227_200009817547 [0,2,0,0,0,0|2,0,0]=4 5222 B12R1.69 O=CCOc1ccc(cc1I)Br 7a_100012355227_200015260668 [0,2,0,0,0,0|2,0,0]=4 5223 B12R1.69 O=CCOc1ccc(cc1I)Cl 34a_100011356953_200009817547 [0,2,0,0,0,0|2,0,0]=4 5224 B12R1.69 O=CCOc1ccc(cc1I)Cl 7a_100011356953_200015260668 [0,2,0,0,0,0|2,0,0]=4 5225 B12R1.69 O=CCOc1ccc(cc1I)F 34a_100012355409_200009817547 [0,2,0,0,0,0|2,0,0]=4 5226 B12R1.69 O=CCOc1ccc(cc1I)F 7a_100012355409_200015260668 [0,2,0,0,0,0|2,0,0]=4 5227 B12R1.69 O=CCOc1ccc(cc1I)I 7a_100010001573_200015260668 [0,2,0,0,0,0|2,0,0]=4 5228 B12R1.69 O=CCSc1ccc(cc1Br)Br 62a_100011484698_200015260668 [0,2,0,0,0,0|2,0,0]=4 5229 B12R1.69 O=CCSc1ccc(cc1Br)Br 62a_200015260668_100011484698 [0,2,0,0,0,0|2,0,0]=4 5230 B12R1.69 O=CCSc1ccc(cc1Br)Cl 62a_100011219703_200015260668 [0,2,0,0,0,0|2,0,0]=4 5231 B12R1.69 O=CCSc1ccc(cc1Br)Cl 62a_200015260668_100011219703 [0,2,0,0,0,0|2,0,0]=4 5232 B12R1.69 O=CCSc1ccc(cc1Br)F 62a_100011217111_200015260668 [0,2,0,0,0,0|2,0,0]=4 5233 B12R1.69 O=CCSc1ccc(cc1Br)F 62a_200015260668_100011217111 [0,2,0,0,0,0|2,0,0]=4 5234 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_100000701344_200015260668 [0,2,0,0,0,0|1,0,0]=3 5235 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_200015260668_100000701344 [0,2,0,0,0,0|1,0,0]=3 5236 B12R1.69 O=CCSc1ccc(cc1Cl)Br 62a_100011216062_200015260668 [0,2,0,0,0,0|2,0,0]=4 5237 B12R1.69 O=CCSc1ccc(cc1Cl)Br 62a_200015260668_100011216062 [0,2,0,0,0,0|2,0,0]=4 5238 B12R1.69 O=CCSc1ccc(cc1Cl)Cl 62a_100000699841_200015260668 [0,2,0,0,0,0|2,0,0]=4 5239 B12R1.69 O=CCSc1ccc(cc1Cl)Cl 62a_200015260668_100000699841 [0,2,0,0,0,0|2,0,0]=4 5240 B12R1.69 O=CCSc1ccc(cc1Cl)F 62a_100000733362_200015260668 [0,2,0,0,0,0|2,0,0]=4 5241 B12R1.69 O=CCSc1ccc(cc1Cl)F 62a_200015260668_100000733362 [0,2,0,0,0,0|2,0,0]=4 5242 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_100000047559_200015260668 [0,2,0,0,0,0|1,0,0]=3 5243 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_200015260668_100000047559 [0,2,0,0,0,0|1,0,0]=3 5244 B12R1.69 O=CCSc1ccc(cc1F)Br 62a_100009814013_200015260668 [0,2,0,0,0,0|2,0,0]=4 5245 B12R1.69 O=CCSc1ccc(cc1F)Br 62a_200015260668_100009814013 [0,2,0,0,0,0|2,0,0]=4 5246 B12R1.69 O=CCSc1ccc(cc1F)Cl 62a_100011216042_200015260668 [0,2,0,0,0,0|2,0,0]=4 5247 B12R1.69 O=CCSc1ccc(cc1F)Cl 62a_200015260668_100011216042 [0,2,0,0,0,0|2,0,0]=4 5248 B12R1.69 O=CCSc1ccc(cc1F)F 62a_100000750030_200015260668 [0,2,0,0,0,0|2,0,0]=4 5249 B12R1.69 O=CCSc1ccc(cc1F)F 62a_200015260668_100000750030 [0,2,0,0,0,0|2,0,0]=4 5250 B12R1.69 O=CCSc1ccc(cc1F)O 62a_100000755031_200015260668 [0,2,0,0,0,0|1,0,0]=3 5251 B12R1.69 O=CCSc1ccc(cc1F)O 62a_200015260668_100000755031 [0,2,0,0,0,0|1,0,0]=3 5252 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_100012344904_200015260668 [0,2,0,0,0,0|2,0,0]=4 5253 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_200015260668_100012344904 [0,2,0,0,0,0|2,0,0]=4 5254 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_100000050036_200015260668 [0,2,0,0,0,0|2,0,0]=4 5255 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_200015260668_100000050036 [0,2,0,0,0,0|2,0,0]=4 5256 B12R1.69 O=CCSc1ccc(cc1O)F 62a_100000690578_200015260668 [0,2,0,0,0,0|2,0,0]=4 5257 B12R1.69 O=CCSc1ccc(cc1O)F 62a_200015260668_100000690578 [0,2,0,0,0,0|2,0,0]=4 5258 B12R1.69 O=CCSc1ccc(cc1O)O 62a_200015260668_100009813921 [0,2,0,0,0,0|1,0,0]=3 5259 B12R1.69 O=CCSc1ccc(nc1F)O 62a_100009879308_200015260668 [0,2,0,0,0,0|2,0,0]=4 5260 B12R1.69 O=CCSc1ccc(nc1F)O 62a_200015260668_100009879308 [0,2,0,0,0,0|2,0,0]=4 5261 B12R1.69 O=CCSc1ncc(cc1F)O 62a_200015260668_100000063512 [0,2,0,0,0,0|2,0,0]=4 5262 B12R1.69 OCCNc1ccc(cc1Br)O 34a_100012001276_100000211926 [0,2,0,0,0,0|1,0,1]=4 5263 B12R1.69 OCCNc1ccc(cc1Cl)O 34a_100011215599_100000211926 [0,2,0,0,0,0|1,0,1]=4 5264 B12R1.69 OCCNc1ccc(cc1F)O 34a_100000759473_100000211926 [0,2,0,0,0,0|1,0,1]=4 5265 B12R1.69 OCCNc1ccc(cc1I)O 34a_100010084370_100000211926 [0,2,0,0,0,0|1,0,1]=4 5266 B12R1.69 OCCNc1ccc(cc1O)O 34a_100000106777_100000211926 [0,2,0,0,0,0|1,0,1]=4 5267 B12R1.69 OCCSc1ccc(cc1Br)O 62a_100000211926_100000701344 [0,2,0,0,0,0|1,0,1]=4 5268 B12R1.69 OCCSc1ccc(cc1Br)O 62a_100000701344_100000211926 [0,2,0,0,0,0|1,0,1]=4 5269 B12R1.69 OCCSc1ccc(cc1Cl)O 62a_100000047559_100000211926 [0,2,0,0,0,0|1,0,1]=4 5270 B12R1.69 OCCSc1ccc(cc1Cl)O 62a_100000211926_100000047559 [0,2,0,0,0,0|1,0,1]=4 5271 B12R1.69 OCCSc1ccc(cc1F)O 62a_100000211926_100000755031 [0,2,0,0,0,0|1,0,1]=4 5272 B12R1.69 OCCSc1ccc(cc1F)O 62a_100000755031_100000211926 [0,2,0,0,0,0|1,0,1]=4 5273 B12R1.69 OCCSc1ccc(cc1O)O 62a_100000211926_100009813921 [0,2,0,0,0,0|1,0,1]=4 5274 B12R1.69 Oc1ccc(c(c1)Br)NCCF 34a_100012001276_100011217306 [0,2,0,0,0,0|1,0,1]=4 5275 B12R1.69 Oc1ccc(c(c1)Br)SCCF 62a_100000701344_100011217306 [0,2,0,0,0,0|1,0,1]=4 5276 B12R1.69 Oc1ccc(c(c1)Br)SCCF 62a_100011217306_100000701344 [0,2,0,0,0,0|1,0,1]=4 5277 B12R1.69 Oc1ccc(c(c1)Cl)CNCF 34a_200161156549_100015361967 [0,2,0,0,0,0|1,0,1]=4 5278 B12R1.69 Oc1ccc(c(c1)Cl)NCCF 34a_100011215599_100011217306 [0,2,0,0,0,0|1,0,1]=4 5279 B12R1.69 Oc1ccc(c(c1)Cl)SCCF 62a_100000047559_100011217306 [0,2,0,0,0,0|1,0,1]=4 5280 B12R1.69 Oc1ccc(c(c1)Cl)SCCF 62a_100011217306_100000047559 [0,2,0,0,0,0|1,0,1]=4 5281 B12R1.69 Oc1ccc(c(c1)F)NCCF 34a_100000759473_100011217306 [0,2,0,0,0,0|1,0,1]=4 5282 B12R1.69 Oc1ccc(c(c1)F)SCCF 62a_100000755031_100011217306 [0,2,0,0,0,0|1,0,1]=4 5283 B12R1.69 Oc1ccc(c(c1)F)SCCF 62a_100011217306_100000755031 [0,2,0,0,0,0|1,0,1]=4 5284 B12R1.69 Oc1ccc(c(c1)I)NCCF 34a_100010084370_100011217306 [0,2,0,0,0,0|1,0,1]=4 5285 B12R1.69 Oc1ccc(c(c1)O)NCCF 34a_100000106777_100011217306 [0,2,0,0,0,0|1,0,1]=4 5286 B12R1.69 Oc1ccc(c(c1)O)SCCF 62a_100011217306_100009813921 [0,2,0,0,0,0|1,0,1]=4 5287 B12R1.71 C#CCNc1ccc(cc1)CO 2230a_100011215238_100000038162 [0,2,0,0,0,0|0,0,2]=4 5288 B12R1.71 C#CCNc1ccc(cc1)CO 34a_100011215238_100000184674 [0,2,0,0,0,0|0,0,2]=4 5289 B12R1.71 C#CCNc1ccc(cc1)OC 34a_100000184247_100000184674 [0,2,0,0,0,0|0,0,2]=4 5290 B12R1.71 C#CCOc1ccc(cc1)CO 34a_100000211755_100000184674 [0,2,0,0,0,0|0,0,2]=4 5291 B12R1.71 C#CCOc1ccc(cc1)OC 34a_100000210503_100000184674 [0,2,0,0,0,0|0,0,2]=4 5292 B12R1.71 C#CCSc1ccc(cc1)CO 62a_100000038162_100000690907 [0,2,0,0,0,0|0,0,2]=4 5293 B12R1.71 C#CCSc1ccc(cc1)OC 62a_100000038162_100000171711 [0,2,0,0,0,0|0,0,2]=4 5294 B12R1.71 C#Cc1ccc(cc1)NCC=C 34a_100011215031_100015514636 [0,2,0,0,0,0|1,0,0]=3 5295 B12R1.71 C#Cc1ccc(cc1)NCC=O 34a_100011215031_200009817547 [0,2,0,0,0,0|2,0,0]=4 5296 B12R1.71 C#Cc1ccc(nc1)OCC=C 34a_200009884252_100015514636 [0,2,0,0,0,0|2,0,0]=4 5297 B12R1.71 C=CCNc1ccc(cc1)C#N 34a_100000185469_100015514636 [0,2,0,0,0,0|1,0,0]=3 5298 B12R1.71 C=CCNc1ccc(cc1)C=C 34a_100011218248_100015514636 [0,2,0,0,0,0|1,0,0]=3 5299 B12R1.71 C=CCNc1ccc(cc1)CC 2230a_100000211069_100000210623 [0,2,0,0,0,0|1,0,0]=3 5300 B12R1.71 C=CCNc1ccc(cc1)CC 34a_100000211069_100015514636 [0,2,0,0,0,0|1,0,0]=3 5301 B12R1.71 C=CCNc1ccc(cc1)CO 2230a_100011215238_100000210623 [0,2,0,0,0,0|0,0,0]=2 5302 B12R1.71 C=CCNc1ccc(cc1)CO 34a_100011215238_100015514636 [0,2,0,0,0,0|0,0,0]=2 5303 B12R1.71 C=CCNc1ccc(cc1)OC 34a_100000184247_100015514636 [0,2,0,0,0,0|0,0,0]=2 5304 B12R1.71 C=CCNc1ccc(cc1)SC 34a_100000212337_100015514636 [0,2,0,0,0,0|0,1,0]=3 5305 B12R1.71 C=CCNc1ccc(cn1)C#N 27a_100020586998_100000241038 [0,2,0,0,0,0|2,0,0]=4 5306 B12R1.71 C=CCNc1ccc(cn1)SC 27a_100020586998_100009820866 [0,2,0,0,0,0|1,1,0]=4 5307 B12R1.71 C=CCNc1ccc(nn1)OC 27a_100020586998_100010231723 [0,2,0,0,0,0|2,0,0]=4 5308 B12R1.71 C=CCNc1cnc(cn1)CO 27a_100020586998_100012002382 [0,2,0,0,0,0|2,0,0]=4 5309 B12R1.71 C=CCNc1ncc(cn1)CO 27a_100020586998_100009855073 [0,2,0,0,0,0|2,0,0]=4 5310 B12R1.71 C=CCNc1ncc(cn1)OC 27a_100020586998_100000069167 [0,2,0,0,0,0|2,0,0]=4 5311 B12R1.71 C=CCOc1ccc(cc1)C#N 34a_100000210344_100015514636 [0,2,0,0,0,0|1,0,0]=3 5312 B12R1.71 C=CCOc1ccc(cc1)C#N 7a_100000210344_100015514636 [0,2,0,0,0,0|1,0,0]=3 5313 B12R1.71 C=CCOc1ccc(cc1)C=C 271570a_100011290941_100000172055 [0,2,0,0,0,0|1,0,0]=3 5314 B12R1.71 C=CCOc1ccc(cc1)C=C 34a_100000189437_100015514636 [0,2,0,0,0,0|1,0,0]=3 5315 B12R1.71 C=CCOc1ccc(cc1)C=C 7a_100000189437_100015514636 [0,2,0,0,0,0|1,0,0]=3 5316 B12R1.71 C=CCOc1ccc(cc1)CC 34a_100000211359_100015514636 [0,2,0,0,0,0|1,0,0]=3 5317 B12R1.71 C=CCOc1ccc(cc1)CC 7a_100000211359_100015514636 [0,2,0,0,0,0|1,0,0]=3 5318 B12R1.71 C=CCOc1ccc(cc1)CN 34a_100000185549_100015514636 [0,2,0,0,0,0|1,0,0]=3 5319 B12R1.71 C=CCOc1ccc(cc1)CO 34a_100000211755_100015514636 [0,2,0,0,0,0|0,0,0]=2 5320 B12R1.71 C=CCOc1ccc(cc1)NC 34a_100000182112_100015514636 [0,2,0,0,0,0|1,0,0]=3 5321 B12R1.71 C=CCOc1ccc(cc1)OC 34a_100000210503_100015514636 [0,2,0,0,0,0|0,0,0]=2 5322 B12R1.71 C=CCOc1ccc(cc1)SC 34a_100000211864_100015514636 [0,2,0,0,0,0|0,1,0]=3 5323 B12R1.71 C=CCOc1ccc(cc1)SC 62a_100000172055_200000210301 [0,2,0,0,0,0|0,1,0]=3 5324 B12R1.71 C=CCOc1ccc(cc1)SC 62a_200000210301_100000172055 [0,2,0,0,0,0|0,1,0]=3 5325 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_100000172055_200025704644 [0,2,0,0,0,0|0,1,0]=3 5326 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000172055 [0,2,0,0,0,0|0,1,0]=3 5327 B12R1.71 C=CCOc1ccc(cn1)CN 34a_100000757128_100015514636 [0,2,0,0,0,0|2,0,0]=4 5328 B12R1.71 C=CCOc1ccc(cn1)OC 34a_100012002028_100015514636 [0,2,0,0,0,0|1,0,0]=3 5329 B12R1.71 C=CCOc1ccc(nc1)C#N 34a_100011934750_100015514636 [0,2,0,0,0,0|2,0,0]=4 5330 B12R1.71 C=CCOc1ccc(nc1)C#N 7a_100011934750_100015514636 [0,2,0,0,0,0|2,0,0]=4 5331 B12R1.71 C=CCOc1ccc(nc1)CN 34a_100020605196_100015514636 [0,2,0,0,0,0|2,0,0]=4 5332 B12R1.71 C=CCOc1ccc(nc1)CO 34a_103436540053_100015514636 [0,2,0,0,0,0|1,0,0]=3 5333 B12R1.71 C=CCOc1ccc(nc1)OC 34a_100011934560_100015514636 [0,2,0,0,0,0|1,0,0]=3 5334 B12R1.71 C=CCOc1cnc(nc1)OC 34a_100000099601_100015514636 [0,2,0,0,0,0|2,0,0]=4 5335 B12R1.71 C=CCOc1cnc(nc1)OC 7a_100000099601_100015514636 [0,2,0,0,0,0|2,0,0]=4 5336 B12R1.71 C=CCSc1ccc(cc1)C#N 62a_100000210623_100000184291 [0,2,0,0,0,0|1,0,0]=3 5337 B12R1.71 C=CCSc1ccc(cc1)C=C 62a_100000210623_100000748128 [0,2,0,0,0,0|1,0,0]=3 5338 B12R1.71 C=CCSc1ccc(cc1)C=C 62a_100000748128_100000210623 [0,2,0,0,0,0|1,0,0]=3 5339 B12R1.71 C=CCSc1ccc(cc1)C=O 62a_100000188517_100000210623 [0,2,0,0,0,0|0,0,1]=3 5340 B12R1.71 C=CCSc1ccc(cc1)C=O 62a_100000210623_100000188517 [0,2,0,0,0,0|0,0,1]=3 5341 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100000210623_100011215824 [0,2,0,0,0,0|1,0,0]=3 5342 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100011215824_100000210623 [0,2,0,0,0,0|1,0,0]=3 5343 B12R1.71 C=CCSc1ccc(cc1)CF 62a_100000210623_100010268989 [0,2,0,0,0,0|1,0,0]=3 5344 B12R1.71 C=CCSc1ccc(cc1)CF 62a_100010268989_100000210623 [0,2,0,0,0,0|1,0,0]=3 5345 B12R1.71 C=CCSc1ccc(cc1)CN 62a_100000210623_100016989417 [0,2,0,0,0,0|1,0,0]=3 5346 B12R1.71 C=CCSc1ccc(cc1)CN 62a_100016989417_100000210623 [0,2,0,0,0,0|1,0,0]=3 5347 B12R1.71 C=CCSc1ccc(cc1)CO 62a_100000210623_100000690907 [0,2,0,0,0,0|0,0,0]=2 5348 B12R1.71 C=CCSc1ccc(cc1)CO 62a_100000690907_100000210623 [0,2,0,0,0,0|0,0,0]=2 5349 B12R1.71 C=CCSc1ccc(cc1)NC 62a_100000210623_100000743151 [0,2,0,0,0,0|1,0,0]=3 5350 B12R1.71 C=CCSc1ccc(cc1)NC 62a_100000743151_100000210623 [0,2,0,0,0,0|1,0,0]=3 5351 B12R1.71 C=CCSc1ccc(cc1)NN 62a_100000210623_100016988836 [0,2,0,0,0,0|1,0,0]=3 5352 B12R1.71 C=CCSc1ccc(cc1)NN 62a_100016988836_100000210623 [0,2,0,0,0,0|1,0,0]=3 5353 B12R1.71 C=CCSc1ccc(cc1)OC 62a_100000210623_100000171711 [0,2,0,0,0,0|0,0,0]=2 5354 B12R1.71 C=CCSc1ccc(cc1)SC 62a_100000210623_100011263217 [0,2,0,0,0,0|0,1,0]=3 5355 B12R1.71 C=CCSc1ccc(cc1)SC 62a_100011263217_100000210623 [0,2,0,0,0,0|0,1,0]=3 5356 B12R1.71 C=CCSc1ccc(cn1)C#N 62a_100000210623_100000241038 [0,2,0,0,0,0|2,0,0]=4 5357 B12R1.71 C=CCSc1ccc(cn1)C=C 62a_100000210623_103436540071 [0,2,0,0,0,0|2,0,0]=4 5358 B12R1.71 C=CCSc1ccc(cn1)C=C 62a_103436540071_100000210623 [0,2,0,0,0,0|2,0,0]=4 5359 B12R1.71 C=CCSc1ccc(cn1)C=O 62a_100000210623_100000766901 [0,2,0,0,0,0|1,0,1]=4 5360 B12R1.71 C=CCSc1ccc(cn1)C=O 62a_100000766901_100000210623 [0,2,0,0,0,0|1,0,1]=4 5361 B12R1.71 C=CCSc1ccc(cn1)CC 62a_100000210623_100009843584 [0,2,0,0,0,0|2,0,0]=4 5362 B12R1.71 C=CCSc1ccc(cn1)CC 62a_100009843584_100000210623 [0,2,0,0,0,0|2,0,0]=4 5363 B12R1.71 C=CCSc1ccc(cn1)CN 62a_100000210623_100000735879 [0,2,0,0,0,0|2,0,0]=4 5364 B12R1.71 C=CCSc1ccc(cn1)CN 62a_100000735879_100000210623 [0,2,0,0,0,0|2,0,0]=4 5365 B12R1.71 C=CCSc1ccc(cn1)CO 62a_100000210623_100009816760 [0,2,0,0,0,0|1,0,0]=3 5366 B12R1.71 C=CCSc1ccc(cn1)CO 62a_100009816760_100000210623 [0,2,0,0,0,0|1,0,0]=3 5367 B12R1.71 C=CCSc1ccc(cn1)NC 62a_100000210623_100000764248 [0,2,0,0,0,0|2,0,0]=4 5368 B12R1.71 C=CCSc1ccc(cn1)NC 62a_100000764248_100000210623 [0,2,0,0,0,0|2,0,0]=4 5369 B12R1.71 C=CCSc1ccc(cn1)NN 62a_100000210623_100000119030 [0,2,0,0,0,0|2,0,0]=4 5370 B12R1.71 C=CCSc1ccc(cn1)NN 62a_100000755011_100000210623 [0,2,0,0,0,0|2,0,0]=4 5371 B12R1.71 C=CCSc1ccc(cn1)OC 62a_100000210623_100000744180 [0,2,0,0,0,0|1,0,0]=3 5372 B12R1.71 C=CCSc1ccc(cn1)OC 62a_100000755202_100000210623 [0,2,0,0,0,0|1,0,0]=3 5373 B12R1.71 C=CCSc1ccc(cn1)SC 62a_100000210623_100009820866 [0,2,0,0,0,0|1,1,0]=4 5374 B12R1.71 C=CCSc1ccc(cn1)SC 62a_100009820866_100000210623 [0,2,0,0,0,0|1,1,0]=4 5375 B12R1.71 C=CCSc1ccc(nc1)C#N 62a_100000210623_100000760455 [0,2,0,0,0,0|2,0,0]=4 5376 B12R1.71 C=CCSc1ccc(nc1)C=O 62a_100000210623_100000754260 [0,2,0,0,0,0|1,0,1]=4 5377 B12R1.71 C=CCSc1ccc(nc1)C=O 62a_100000754260_100000210623 [0,2,0,0,0,0|1,0,1]=4 5378 B12R1.71 C=CCSc1ccc(nc1)CC 62a_100000210623_100009820025 [0,2,0,0,0,0|2,0,0]=4 5379 B12R1.71 C=CCSc1ccc(nc1)CC 62a_100009820025_100000210623 [0,2,0,0,0,0|2,0,0]=4 5380 B12R1.71 C=CCSc1ccc(nc1)CN 62a_100000210623_100015188789 [0,2,0,0,0,0|2,0,0]=4 5381 B12R1.71 C=CCSc1ccc(nc1)CN 62a_100015188789_100000210623 [0,2,0,0,0,0|2,0,0]=4 5382 B12R1.71 C=CCSc1ccc(nc1)CO 62a_100000210623_100000754261 [0,2,0,0,0,0|1,0,0]=3 5383 B12R1.71 C=CCSc1ccc(nc1)CO 62a_100000754261_100000210623 [0,2,0,0,0,0|1,0,0]=3 5384 B12R1.71 C=CCSc1ccc(nc1)NC 62a_100000210623_100000741341 [0,2,0,0,0,0|2,0,0]=4 5385 B12R1.71 C=CCSc1ccc(nc1)NC 62a_100000741341_100000210623 [0,2,0,0,0,0|2,0,0]=4 5386 B12R1.71 C=CCSc1ccc(nc1)NN 62a_100000210623_100000750576 [0,2,0,0,0,0|2,0,0]=4 5387 B12R1.71 C=CCSc1ccc(nc1)NN 62a_100000750576_100000210623 [0,2,0,0,0,0|2,0,0]=4 5388 B12R1.71 C=CCSc1ccc(nc1)OC 62a_100000047065_100000210623 [0,2,0,0,0,0|1,0,0]=3 5389 B12R1.71 C=CCSc1ccc(nc1)OC 62a_100000210623_100000047065 [0,2,0,0,0,0|1,0,0]=3 5390 B12R1.71 C=CCSc1ccc(nc1)SC 62a_100000210623_100011408404 [0,2,0,0,0,0|1,1,0]=4 5391 B12R1.71 C=CCSc1ccc(nc1)SC 62a_100011408404_100000210623 [0,2,0,0,0,0|1,1,0]=4 5392 B12R1.71 C=CCSc1ccc(nn1)OC 62a_100000210623_100009819040 [0,2,0,0,0,0|2,0,0]=4 5393 B12R1.71 C=CCSc1ccc(nn1)OC 62a_100009819040_100000210623 [0,2,0,0,0,0|2,0,0]=4 5394 B12R1.71 C=CCSc1cnc(cn1)CO 62a_100000210623_100012002382 [0,2,0,0,0,0|2,0,0]=4 5395 B12R1.71 C=CCSc1cnc(cn1)CO 62a_100012002382_100000210623 [0,2,0,0,0,0|2,0,0]=4 5396 B12R1.71 C=CCSc1cnc(cn1)OC 62a_100000210623_100011998698 [0,2,0,0,0,0|2,0,0]=4 5397 B12R1.71 C=CCSc1cnc(cn1)OC 62a_100011998698_100000210623 [0,2,0,0,0,0|2,0,0]=4 5398 B12R1.71 C=CCSc1cnc(nc1)CO 62a_100000210623_100009867226 [0,2,0,0,0,0|2,0,0]=4 5399 B12R1.71 C=CCSc1cnc(nc1)CO 62a_100009867226_100000210623 [0,2,0,0,0,0|2,0,0]=4 5400 B12R1.71 C=CCSc1cnc(nc1)OC 62a_100000210623_100000686852 [0,2,0,0,0,0|2,0,0]=4 5401 B12R1.71 C=CCSc1cnc(nc1)OC 62a_100000686852_100000210623 [0,2,0,0,0,0|2,0,0]=4 5402 B12R1.71 C=CCSc1ncc(cn1)CO 62a_100000210623_100009855073 [0,2,0,0,0,0|2,0,0]=4 5403 B12R1.71 C=CCSc1ncc(cn1)CO 62a_100009855073_100000210623 [0,2,0,0,0,0|2,0,0]=4 5404 B12R1.71 C=CCSc1ncc(cn1)OC 62a_100000069167_100000210623 [0,2,0,0,0,0|2,0,0]=4 5405 B12R1.71 C=CCSc1ncc(cn1)OC 62a_100000210623_100000069167 [0,2,0,0,0,0|2,0,0]=4 5406 B12R1.71 C=Cc1ccc(cc1)CCC=O 271570a_100011290941_100011361538 [0,2,0,0,0,0|1,0,1]=4 5407 B12R1.71 C=Cc1ccc(cc1)NCC=O 34a_100011218248_200009817547 [0,2,0,0,0,0|2,0,0]=4 5408 B12R1.71 C=Cc1ccc(cc1)OCC=O 34a_100000189437_200009817547 [0,2,0,0,0,0|2,0,0]=4 5409 B12R1.71 C=Cc1ccc(cc1)OCC=O 7a_100000189437_200015260668 [0,2,0,0,0,0|2,0,0]=4 5410 B12R1.71 C=Cc1ccc(cc1)SCC=O 62a_100000748128_200015260668 [0,2,0,0,0,0|2,0,0]=4 5411 B12R1.71 C=Cc1ccc(cc1)SCC=O 62a_200015260668_100000748128 [0,2,0,0,0,0|2,0,0]=4 5412 B12R1.71 CC=NNc1ccc(cc1)OC 4a_100000005221_200000210099 [0,2,0,0,0,0|1,0,1]=4 5413 B12R1.71 CCCCc1ccc(cc1)CO 271570a_100020621405_100000690907 [0,2,0,0,0,0|0,0,2]=4 5414 B12R1.71 CCCCc1ccc(cc1)OC 271570a_100020621405_100000171711 [0,2,0,0,0,0|0,0,2]=4 5415 B12R1.71 CCCCc1ccc(cc1)OC 34a_100011216022_200000210301 [0,2,0,0,0,0|0,0,2]=4 5416 B12R1.71 CCCCc1ccc(cc1)OC 7a_100011216022_200000210301 [0,2,0,0,0,0|0,0,2]=4 5417 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 34a_100011216022_200025704644 [0,2,0,0,0,0|0,0,2]=4 5418 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 7a_100011216022_200025704644 [0,2,0,0,0,0|0,0,2]=4 5419 B12R1.71 CCCNc1ccc(cc1)CO 2230a_100011215238_100000210303 [0,2,0,0,0,0|0,0,2]=4 5420 B12R1.71 CCCNc1ccc(cc1)CO 34a_100011215238_100000210303 [0,2,0,0,0,0|0,0,2]=4 5421 B12R1.71 CCCNc1ccc(cc1)OC 34a_100000184247_100000210303 [0,2,0,0,0,0|0,0,2]=4 5422 B12R1.71 CCCOc1ccc(cc1)CO 34a_100000211755_100000210303 [0,2,0,0,0,0|0,0,2]=4 5423 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000185468_200000210301 [0,2,0,0,0,0|0,0,2]=4 5424 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000210503_100000210303 [0,2,0,0,0,0|0,0,2]=4 5425 B12R1.71 CCCOc1ccc(cc1)OC 7a_100000185468_200000210301 [0,2,0,0,0,0|0,0,2]=4 5426 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 34a_100000185468_200025704644 [0,2,0,0,0,0|0,0,2]=4 5427 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 7a_100000185468_200025704644 [0,2,0,0,0,0|0,0,2]=4 5428 B12R1.71 CCCSc1ccc(cc1)CO 62a_100000210303_100000690907 [0,2,0,0,0,0|0,0,2]=4 5429 B12R1.71 CCCSc1ccc(cc1)CO 62a_100000690907_100000210303 [0,2,0,0,0,0|0,0,2]=4 5430 B12R1.71 CCCSc1ccc(cc1)OC 62a_100000210303_100000171711 [0,2,0,0,0,0|0,0,2]=4 5431 B12R1.71 CCNCc1ccc(cc1)CO 207a_100015525214_100009832023 [0,2,0,0,0,0|0,0,2]=4 5432 B12R1.71 CCNCc1ccc(cc1)CO 2230a_100015189231_100000210202 [0,2,0,0,0,0|0,0,2]=4 5433 B12R1.71 CCNCc1ccc(cc1)CO 2230a_100015525214_100000067286 [0,2,0,0,0,0|0,0,2]=4 5434 B12R1.71 CCNCc1ccc(cc1)CO 270004a_100015525214_100009832023 [0,2,0,0,0,0|0,0,2]=4 5435 B12R1.71 CCNCc1ccc(cc1)CO 34a_100015189231_100000210202 [0,2,0,0,0,0|0,0,2]=4 5436 B12R1.71 CCNCc1ccc(cc1)OC 207a_100015525214_100000169835 [0,2,0,0,0,0|0,0,2]=4 5437 B12R1.71 CCNCc1ccc(cc1)OC 2230a_100015525214_100000742318 [0,2,0,0,0,0|0,0,2]=4 5438 B12R1.71 CCNCc1ccc(cc1)OC 270004a_100015525214_100000169835 [0,2,0,0,0,0|0,0,2]=4 5439 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000185587_100000210202 [0,2,0,0,0,0|0,0,2]=4 5440 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000748449_200000210301 [0,2,0,0,0,0|0,0,2]=4 5441 B12R1.71 CCNCc1ccc(cc1)O[13CH3] 34a_100000748449_200025704644 [0,2,0,0,0,0|0,0,2]=4 5442 B12R1.71 CCOCc1ccc(cc1)CO 34a_100121572206_100000067286 [0,2,0,0,0,0|0,0,2]=4 5443 B12R1.71 CCOCc1ccc(cc1)OC 34a_100000173359_100000210202 [0,2,0,0,0,0|0,0,2]=4 5444 B12R1.71 CCOCc1ccc(cc1)OC 34a_100121572206_100000742318 [0,2,0,0,0,0|0,0,2]=4 5445 B12R1.71 CCSCc1ccc(cc1)CO 62a_100000067286_100000210202 [0,2,0,0,0,0|0,0,2]=4 5446 B12R1.71 CCSCc1ccc(cc1)CO 62a_100000210202_100000067286 [0,2,0,0,0,0|0,0,2]=4 5447 B12R1.71 CCSCc1ccc(cc1)OC 62a_100000210202_100000742318 [0,2,0,0,0,0|0,0,2]=4 5448 B12R1.71 CCc1ccc(cc1)NCC=O 2230a_100000211069_200015260668 [0,2,0,0,0,0|2,0,0]=4 5449 B12R1.71 CCc1ccc(cc1)NCC=O 34a_100000211069_200009817547 [0,2,0,0,0,0|2,0,0]=4 5450 B12R1.71 CCc1ccc(cc1)OCC=O 34a_100000211359_200009817547 [0,2,0,0,0,0|2,0,0]=4 5451 B12R1.71 CCc1ccc(cc1)OCC=O 7a_100000211359_200015260668 [0,2,0,0,0,0|2,0,0]=4 5452 B12R1.71 CCc1ccc(cc1)SCC=O 62a_100011215824_200015260668 [0,2,0,0,0,0|2,0,0]=4 5453 B12R1.71 CCc1ccc(cc1)SCC=O 62a_200015260668_100011215824 [0,2,0,0,0,0|2,0,0]=4 5454 B12R1.71 CNCCc1ccc(cc1)OC 2230a_100000210796_200000210301 [0,2,0,0,0,0|0,0,2]=4 5455 B12R1.71 CNCCc1ccc(cc1)OC 2230a_106832991635_100011713689 [0,2,0,0,0,0|0,0,2]=4 5456 B12R1.71 CNCCc1ccc(cc1)OC 270004a_106832991635_100011242372 [0,2,0,0,0,0|0,0,2]=4 5457 B12R1.71 CNCCc1ccc(cc1)OC 34a_100000210796_200000210301 [0,2,0,0,0,0|0,0,2]=4 5458 B12R1.71 CNCCc1ccc(cc1)OC 34a_100016989440_200000210301 [0,2,0,0,0,0|0,0,2]=4 5459 B12R1.71 CNCCc1ccc(cc1)OC 34a_100102657272_100000184700 [0,2,0,0,0,0|0,0,2]=4 5460 B12R1.71 CNCCc1ccc(cc1)OC 7a_106832991635_100000184700 [0,2,0,0,0,0|0,0,2]=4 5461 B12R1.71 CNCCc1ccc(cc1)O[13CH3] 34a_100016989440_200025704644 [0,2,0,0,0,0|0,0,2]=4 5462 B12R1.71 CNc1ccc(cc1)OCC=O 34a_100000182112_200009817547 [0,2,0,0,0,0|2,0,0]=4 5463 B12R1.71 CNc1ccc(cc1)SCC=O 62a_100000743151_200015260668 [0,2,0,0,0,0|2,0,0]=4 5464 B12R1.71 CNc1ccc(cc1)SCC=O 62a_200015260668_100000743151 [0,2,0,0,0,0|2,0,0]=4 5465 B12R1.71 COCCc1ccc(cc1)OC 34a_100000211638_200000210301 [0,2,0,0,0,0|0,0,2]=4 5466 B12R1.71 COCCc1ccc(cc1)OC 34a_100011219623_200000210301 [0,2,0,0,0,0|0,0,2]=4 5467 B12R1.71 COCCc1ccc(cc1)OC 34a_100138415774_100000184700 [0,2,0,0,0,0|0,0,2]=4 5468 B12R1.71 COCCc1ccc(cc1)OC 7a_100000211638_200000210301 [0,2,0,0,0,0|0,0,2]=4 5469 B12R1.71 COCCc1ccc(cc1)OC 7a_100011219623_200000210301 [0,2,0,0,0,0|0,0,2]=4 5470 B12R1.71 COCCc1ccc(cc1)O[13CH3] 34a_100000211638_200025704644 [0,2,0,0,0,0|0,0,2]=4 5471 B12R1.71 COCCc1ccc(cc1)O[13CH3] 7a_100000211638_200025704644 [0,2,0,0,0,0|0,0,2]=4 5472 B12R1.71 COCNc1ccc(cc1)CO 2230a_100011215238_100000766300 [0,2,0,0,0,0|1,0,1]=4 5473 B12R1.71 COCOc1ccc(cc1)OC 34a_200012265912_200000210301 [0,2,0,0,0,0|1,0,1]=4 5474 B12R1.71 COCOc1ccc(cc1)O[13CH3] 34a_200012265912_200025704644 [0,2,0,0,0,0|1,0,1]=4 5475 B12R1.71 COCSc1ccc(cc1)CO 62a_100000690907_100000766300 [0,2,0,0,0,0|1,0,1]=4 5476 B12R1.71 COCSc1ccc(cc1)CO 62a_100000766300_100000690907 [0,2,0,0,0,0|1,0,1]=4 5477 B12R1.71 COCSc1ccc(cc1)OC 62a_100000766300_100000171711 [0,2,0,0,0,0|1,0,1]=4 5478 B12R1.71 COc1ccc(cc1)CCC#N 34a_200011217972_200000210301 [0,2,0,0,0,0|0,0,2]=4 5479 B12R1.71 COc1ccc(cc1)CCC#N 7a_200011217972_200000210301 [0,2,0,0,0,0|0,0,2]=4 5480 B12R1.71 COc1ccc(cc1)CCCO 34a_100011215268_200000210301 [0,2,0,0,0,0|0,0,2]=4 5481 B12R1.71 COc1ccc(cc1)CCCO 7a_100011215268_200000210301 [0,2,0,0,0,0|0,0,2]=4 5482 B12R1.71 COc1ccc(cc1)CCN[13CH3] 2230a_100000210796_200025704644 [0,2,0,0,0,0|0,0,2]=4 5483 B12R1.71 COc1ccc(cc1)CCN[13CH3] 34a_100000210796_200025704644 [0,2,0,0,0,0|0,0,2]=4 5484 B12R1.71 COc1ccc(cc1)CCO[13CH3] 34a_100011219623_200025704644 [0,2,0,0,0,0|0,0,2]=4 5485 B12R1.71 COc1ccc(cc1)CCO[13CH3] 7a_100011219623_200025704644 [0,2,0,0,0,0|0,0,2]=4 5486 B12R1.71 COc1ccc(cc1)CCSC 62a_100011713689_200000210301 [0,2,0,0,0,0|0,0,2]=4 5487 B12R1.71 COc1ccc(cc1)CCSC 62a_200000210301_100011713689 [0,2,0,0,0,0|0,0,2]=4 5488 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_100011713689_200025704644 [0,2,0,0,0,0|0,0,2]=4 5489 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713689 [0,2,0,0,0,0|0,0,2]=4 5490 B12R1.71 COc1ccc(cc1)CNCF 34a_100000185587_100015361967 [0,2,0,0,0,0|1,0,1]=4 5491 B12R1.71 COc1ccc(cc1)COCF 34a_100000173359_100015361967 [0,2,0,0,0,0|1,0,1]=4 5492 B12R1.71 COc1ccc(cc1)CSCF 62a_100015361967_100000742318 [0,2,0,0,0,0|1,0,1]=4 5493 B12R1.71 COc1ccc(cc1)NCC=O 34a_100000184247_200009817547 [0,2,0,0,0,0|1,0,0]=3 5494 B12R1.71 COc1ccc(cc1)NCCF 34a_100000184247_100011217306 [0,2,0,0,0,0|1,0,1]=4 5495 B12R1.71 COc1ccc(cc1)NCCO 34a_100000184247_100000211926 [0,2,0,0,0,0|1,0,1]=4 5496 B12R1.71 COc1ccc(cc1)NCSC 34a_100000184247_100011218213 [0,2,0,0,0,0|1,0,1]=4 5497 B12R1.71 COc1ccc(cc1)OCC=O 34a_100000210503_200009817547 [0,2,0,0,0,0|1,0,0]=3 5498 B12R1.71 COc1ccc(cc1)OCCF 34a_100000210503_100011217306 [0,2,0,0,0,0|1,0,1]=4 5499 B12R1.71 COc1ccc(cc1)OCCO 34a_100000210503_100000211926 [0,2,0,0,0,0|1,0,1]=4 5500 B12R1.71 COc1ccc(cc1)OCSC 34a_100000210503_100011218213 [0,2,0,0,0,0|1,0,1]=4 5501 B12R1.71 COc1ccc(cc1)SCC#N 62a_100011215382_100000171711 [0,2,0,0,0,0|1,0,1]=4 5502 B12R1.71 COc1ccc(cc1)SCC=O 62a_200015260668_100000171711 [0,2,0,0,0,0|1,0,0]=3 5503 B12R1.71 COc1ccc(cc1)SCCF 62a_100011217306_100000171711 [0,2,0,0,0,0|1,0,1]=4 5504 B12R1.71 COc1ccc(cc1)SCCO 62a_100000211926_100000171711 [0,2,0,0,0,0|1,0,1]=4 5505 B12R1.71 COc1ccc(cc1)SCSC 62a_100011218213_100000171711 [0,2,0,0,0,0|1,0,1]=4 5506 B12R1.71 COc1ccc(cn1)OCC=O 34a_100011934560_200009817547 [0,2,0,0,0,0|2,0,0]=4 5507 B12R1.71 COc1ccc(cn1)SCC=O 62a_100000047065_200015260668 [0,2,0,0,0,0|2,0,0]=4 5508 B12R1.71 COc1ccc(cn1)SCC=O 62a_200015260668_100000047065 [0,2,0,0,0,0|2,0,0]=4 5509 B12R1.71 COc1ccc(nc1)OCC=O 34a_100012002028_200009817547 [0,2,0,0,0,0|2,0,0]=4 5510 B12R1.71 COc1ccc(nc1)SCC=O 62a_100000755202_200015260668 [0,2,0,0,0,0|2,0,0]=4 5511 B12R1.71 COc1ccc(nc1)SCC=O 62a_200015260668_100000744180 [0,2,0,0,0,0|2,0,0]=4 5512 B12R1.71 CSCNc1ccc(cc1)CO 2230a_100011215238_100011218213 [0,2,0,0,0,0|1,0,1]=4 5513 B12R1.71 CSCNc1ccc(cc1)CO 34a_100011215238_100011218213 [0,2,0,0,0,0|1,0,1]=4 5514 B12R1.71 CSCOc1ccc(cc1)CO 34a_100000211755_100011218213 [0,2,0,0,0,0|1,0,1]=4 5515 B12R1.71 CSCSc1ccc(cc1)CO 62a_100000690907_100011218213 [0,2,0,0,0,0|1,0,1]=4 5516 B12R1.71 CSCSc1ccc(cc1)CO 62a_100011218213_100000690907 [0,2,0,0,0,0|1,0,1]=4 5517 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_100016291818_200000210301 [0,2,0,0,0,0|0,1,1]=4 5518 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_200000210301_100016291818 [0,2,0,0,0,0|0,1,1]=4 5519 B12R1.71 CSc1ccc(cc1)CCC=O 62a_100011361538_200000210301 [0,2,0,0,0,0|0,1,1]=4 5520 B12R1.71 CSc1ccc(cc1)CCC=O 62a_200000210301_100011361538 [0,2,0,0,0,0|0,1,1]=4 5521 B12R1.71 CSc1ccc(cc1)NCC=O 34a_100000212337_200009817547 [0,2,0,0,0,0|1,1,0]=4 5522 B12R1.71 CSc1ccc(cc1)OCC=O 34a_100000211864_200009817547 [0,2,0,0,0,0|1,1,0]=4 5523 B12R1.71 CSc1ccc(cc1)SCC=O 62a_100011263217_200015260668 [0,2,0,0,0,0|1,1,0]=4 5524 B12R1.71 CSc1ccc(cc1)SCC=O 62a_200015260668_100011263217 [0,2,0,0,0,0|1,1,0]=4 5525 B12R1.71 N#CCNc1ccc(cc1)CO 2230a_100011215238_100011215382 [0,2,0,0,0,0|1,0,1]=4 5526 B12R1.71 N#CCSc1ccc(cc1)CO 62a_100000690907_100011215382 [0,2,0,0,0,0|1,0,1]=4 5527 B12R1.71 N#CCSc1ccc(cc1)CO 62a_100011215382_100000690907 [0,2,0,0,0,0|1,0,1]=4 5528 B12R1.71 N#Cc1ccc(cc1)NCC=O 34a_100000185469_200009817547 [0,2,0,0,0,0|2,0,0]=4 5529 B12R1.71 N#Cc1ccc(cc1)OCC=O 34a_100000210344_200009817547 [0,2,0,0,0,0|2,0,0]=4 5530 B12R1.71 N#Cc1ccc(cc1)OCC=O 7a_100000210344_200015260668 [0,2,0,0,0,0|2,0,0]=4 5531 B12R1.71 N#Cc1ccc(cc1)SCC=O 62a_200015260668_100000184291 [0,2,0,0,0,0|2,0,0]=4 5532 B12R1.71 NCc1ccc(cc1)OCC=O 34a_100000185549_200009817547 [0,2,0,0,0,0|2,0,0]=4 5533 B12R1.71 NCc1ccc(cc1)SCC=O 62a_100016989417_200015260668 [0,2,0,0,0,0|2,0,0]=4 5534 B12R1.71 NCc1ccc(cc1)SCC=O 62a_200015260668_100016989417 [0,2,0,0,0,0|2,0,0]=4 5535 B12R1.71 NNc1ccc(cc1)SCC=O 62a_100016988836_200015260668 [0,2,0,0,0,0|2,0,0]=4 5536 B12R1.71 NNc1ccc(cc1)SCC=O 62a_200015260668_100016988836 [0,2,0,0,0,0|2,0,0]=4 5537 B12R1.71 O=CCNc1ccc(cc1)CO 2230a_100011215238_200015260668 [0,2,0,0,0,0|1,0,0]=3 5538 B12R1.71 O=CCNc1ccc(cc1)CO 34a_100011215238_200009817547 [0,2,0,0,0,0|1,0,0]=3 5539 B12R1.71 O=CCOc1ccc(cc1)CO 34a_100000211755_200009817547 [0,2,0,0,0,0|1,0,0]=3 5540 B12R1.71 O=CCOc1ccc(nc1)CO 34a_103436540053_200009817547 [0,2,0,0,0,0|2,0,0]=4 5541 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_100000188517_200015260668 [0,2,0,0,0,0|1,0,1]=4 5542 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_200015260668_100000188517 [0,2,0,0,0,0|1,0,1]=4 5543 B12R1.71 O=CCSc1ccc(cc1)CF 62a_100010268989_200015260668 [0,2,0,0,0,0|2,0,0]=4 5544 B12R1.71 O=CCSc1ccc(cc1)CF 62a_200015260668_100010268989 [0,2,0,0,0,0|2,0,0]=4 5545 B12R1.71 O=CCSc1ccc(cc1)CO 62a_100000690907_200015260668 [0,2,0,0,0,0|1,0,0]=3 5546 B12R1.71 O=CCSc1ccc(cc1)CO 62a_200015260668_100000690907 [0,2,0,0,0,0|1,0,0]=3 5547 B12R1.71 O=CCSc1ccc(cn1)CO 62a_100009816760_200015260668 [0,2,0,0,0,0|2,0,0]=4 5548 B12R1.71 O=CCSc1ccc(cn1)CO 62a_200015260668_100009816760 [0,2,0,0,0,0|2,0,0]=4 5549 B12R1.71 O=CCSc1ccc(nc1)CO 62a_100000754261_200015260668 [0,2,0,0,0,0|2,0,0]=4 5550 B12R1.71 O=CCSc1ccc(nc1)CO 62a_200015260668_100000754261 [0,2,0,0,0,0|2,0,0]=4 5551 B12R1.71 OCCNc1ccc(cc1)CO 2230a_100011215238_100000211926 [0,2,0,0,0,0|1,0,1]=4 5552 B12R1.71 OCCNc1ccc(cc1)CO 34a_100011215238_100000211926 [0,2,0,0,0,0|1,0,1]=4 5553 B12R1.71 OCCOc1ccc(cc1)CO 34a_100000211755_100000211926 [0,2,0,0,0,0|1,0,1]=4 5554 B12R1.71 OCCSc1ccc(cc1)CO 62a_100000211926_100000690907 [0,2,0,0,0,0|1,0,1]=4 5555 B12R1.71 OCCSc1ccc(cc1)CO 62a_100000690907_100000211926 [0,2,0,0,0,0|1,0,1]=4 5556 B12R1.71 OCc1ccc(cc1)CNCF 34a_100015189231_100015361967 [0,2,0,0,0,0|1,0,1]=4 5557 B12R1.71 OCc1ccc(cc1)CSCF 62a_100000067286_100015361967 [0,2,0,0,0,0|1,0,1]=4 5558 B12R1.71 OCc1ccc(cc1)CSCF 62a_100015361967_100000067286 [0,2,0,0,0,0|1,0,1]=4 5559 B12R1.71 OCc1ccc(cc1)NCCF 2230a_100011215238_100011217306 [0,2,0,0,0,0|1,0,1]=4 5560 B12R1.71 OCc1ccc(cc1)NCCF 34a_100011215238_100011217306 [0,2,0,0,0,0|1,0,1]=4 5561 B12R1.71 OCc1ccc(cc1)OCCF 34a_100000211755_100011217306 [0,2,0,0,0,0|1,0,1]=4 5562 B12R1.71 OCc1ccc(cc1)SCCF 62a_100000690907_100011217306 [0,2,0,0,0,0|1,0,1]=4 5563 B12R1.71 OCc1ccc(cc1)SCCF 62a_100011217306_100000690907 [0,2,0,0,0,0|1,0,1]=4 5564 B12R1.71 [13CH3]Oc1ccc(cc1)CCC#N 34a_200011217972_200025704644 [0,2,0,0,0,0|0,0,2]=4 5565 B12R1.71 [13CH3]Oc1ccc(cc1)CCC#N 7a_200011217972_200025704644 [0,2,0,0,0,0|0,0,2]=4 5566 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 34a_100011215268_200025704644 [0,2,0,0,0,0|0,0,2]=4 5567 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 7a_100011215268_200025704644 [0,2,0,0,0,0|0,0,2]=4 5568 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_100016291818_200025704644 [0,2,0,0,0,0|0,1,1]=4 5569 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_200025704644_100016291818 [0,2,0,0,0,0|0,1,1]=4 5570 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_100011361538_200025704644 [0,2,0,0,0,0|0,1,1]=4 5571 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_200025704644_100011361538 [0,2,0,0,0,0|0,1,1]=4 5572 B12R1.385 C#CCNc1ccc(c(c1)Br)O 34a_100011534360_100000184674 [0,2,0,0,0,0|0,0,2]=4 5573 B12R1.385 C#CCNc1ccc(c(c1)C)O 34a_100011218179_100000184674 [0,2,0,0,0,0|0,0,2]=4 5574 B12R1.385 C#CCNc1ccc(c(c1)C)O 7a_100011218179_100000038162 [0,2,0,0,0,0|0,0,2]=4 5575 B12R1.385 C#CCNc1ccc(c(c1)Cl)O 34a_100000744943_100000184674 [0,2,0,0,0,0|0,0,2]=4 5576 B12R1.385 C#CCNc1ccc(c(c1)F)O 34a_100011220035_100000184674 [0,2,0,0,0,0|0,0,2]=4 5577 B12R1.385 C#CCNc1ccc(c(c1)F)O 7a_100011220035_100000038162 [0,2,0,0,0,0|0,0,2]=4 5578 B12R1.385 C#CCNc1ccc(c(c1)O)O 34a_100102946323_100000184674 [0,2,0,0,0,0|0,0,2]=4 5579 B12R1.385 C#CCSc1ccc(c(c1)Br)O 62a_100000038162_100012361655 [0,2,0,0,0,0|0,0,2]=4 5580 B12R1.385 C#CCSc1ccc(c(c1)C)O 62a_100000038162_100000186361 [0,2,0,0,0,0|0,0,2]=4 5581 B12R1.385 C#CCSc1ccc(c(c1)Cl)O 62a_100000038162_100012360047 [0,2,0,0,0,0|0,0,2]=4 5582 B12R1.385 C#CCSc1ccc(c(c1)F)O 62a_100000038162_100000185481 [0,2,0,0,0,0|0,0,2]=4 5583 B12R1.385 C#CCSc1ccc(c(c1)N)O 62a_100000038162_100000752626 [0,2,0,0,0,0|0,0,2]=4 5584 B12R1.385 C#CCSc1ccc(c(c1)O)O 62a_100000038162_100009813601 [0,2,0,0,0,0|0,0,2]=4 5585 B12R1.385 C=CCNc1cc(c(cn1)C)F 27a_100020586998_100009841206 [0,2,0,0,0,0|2,0,0]=4 5586 B12R1.385 C=CCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000210623 [0,2,0,0,0,0|1,0,0]=3 5587 B12R1.385 C=CCNc1ccc(c(c1)Br)Br 34a_100011306057_100015514636 [0,2,0,0,0,0|1,0,0]=3 5588 B12R1.385 C=CCNc1ccc(c(c1)Br)Br 7a_100011306057_100015514636 [0,2,0,0,0,0|1,0,0]=3 5589 B12R1.385 C=CCNc1ccc(c(c1)Br)C 2230a_100000736455_100000210623 [0,2,0,0,0,0|1,0,0]=3 5590 B12R1.385 C=CCNc1ccc(c(c1)Br)C 34a_100000736455_100015514636 [0,2,0,0,0,0|1,0,0]=3 5591 B12R1.385 C=CCNc1ccc(c(c1)Br)C 7a_100000736455_100015514636 [0,2,0,0,0,0|1,0,0]=3 5592 B12R1.385 C=CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210623 [0,2,0,0,0,0|1,0,0]=3 5593 B12R1.385 C=CCNc1ccc(c(c1)Br)Cl 34a_100000686031_100015514636 [0,2,0,0,0,0|1,0,0]=3 5594 B12R1.385 C=CCNc1ccc(c(c1)Br)F 2230a_100000760356_100000210623 [0,2,0,0,0,0|1,0,0]=3 5595 B12R1.385 C=CCNc1ccc(c(c1)Br)F 34a_100000760356_100015514636 [0,2,0,0,0,0|1,0,0]=3 5596 B12R1.385 C=CCNc1ccc(c(c1)Br)F 7a_100000760356_100015514636 [0,2,0,0,0,0|1,0,0]=3 5597 B12R1.385 C=CCNc1ccc(c(c1)Br)I 34a_100000750458_100015514636 [0,2,0,0,0,0|1,0,0]=3 5598 B12R1.385 C=CCNc1ccc(c(c1)Br)O 34a_100011534360_100015514636 [0,2,0,0,0,0|0,0,0]=2 5599 B12R1.385 C=CCNc1ccc(c(c1)C)Br 2230a_100000210723_100000210623 [0,2,0,0,0,0|1,0,0]=3 5600 B12R1.385 C=CCNc1ccc(c(c1)C)Br 34a_100000210723_100015514636 [0,2,0,0,0,0|1,0,0]=3 5601 B12R1.385 C=CCNc1ccc(c(c1)C)Br 7a_100000210723_100015514636 [0,2,0,0,0,0|1,0,0]=3 5602 B12R1.385 C=CCNc1ccc(c(c1)C)C 2230a_100000724040_100000210623 [0,2,0,0,0,0|1,0,0]=3 5603 B12R1.385 C=CCNc1ccc(c(c1)C)C 34a_100000724040_100015514636 [0,2,0,0,0,0|1,0,0]=3 5604 B12R1.385 C=CCNc1ccc(c(c1)C)C 7a_100000724040_100015514636 [0,2,0,0,0,0|1,0,0]=3 5605 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210623 [0,2,0,0,0,0|1,0,0]=3 5606 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 34a_100000187808_100015514636 [0,2,0,0,0,0|1,0,0]=3 5607 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 7a_100000187808_100015514636 [0,2,0,0,0,0|1,0,0]=3 5608 B12R1.385 C=CCNc1ccc(c(c1)C)F 2230a_100000750164_100000210623 [0,2,0,0,0,0|1,0,0]=3 5609 B12R1.385 C=CCNc1ccc(c(c1)C)F 34a_100000750164_100015514636 [0,2,0,0,0,0|1,0,0]=3 5610 B12R1.385 C=CCNc1ccc(c(c1)C)F 7a_100000750164_100015514636 [0,2,0,0,0,0|1,0,0]=3 5611 B12R1.385 C=CCNc1ccc(c(c1)C)I 34a_100000198070_100015514636 [0,2,0,0,0,0|1,0,0]=3 5612 B12R1.385 C=CCNc1ccc(c(c1)C)I 7a_100000198070_100015514636 [0,2,0,0,0,0|1,0,0]=3 5613 B12R1.385 C=CCNc1ccc(c(c1)C)O 34a_100011218179_100015514636 [0,2,0,0,0,0|0,0,0]=2 5614 B12R1.385 C=CCNc1ccc(c(c1)C)O 7a_100011218179_100015514636 [0,2,0,0,0,0|0,0,0]=2 5615 B12R1.385 C=CCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000210623 [0,2,0,0,0,0|1,0,0]=3 5616 B12R1.385 C=CCNc1ccc(c(c1)Cl)Br 34a_100000687081_100015514636 [0,2,0,0,0,0|1,0,0]=3 5617 B12R1.385 C=CCNc1ccc(c(c1)Cl)Br 7a_100000687081_100015514636 [0,2,0,0,0,0|1,0,0]=3 5618 B12R1.385 C=CCNc1ccc(c(c1)Cl)C 2230a_100000188892_100000210623 [0,2,0,0,0,0|1,0,0]=3 5619 B12R1.385 C=CCNc1ccc(c(c1)Cl)C 34a_100000188892_100015514636 [0,2,0,0,0,0|1,0,0]=3 5620 B12R1.385 C=CCNc1ccc(c(c1)Cl)C 7a_100000188892_100015514636 [0,2,0,0,0,0|1,0,0]=3 5621 B12R1.385 C=CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210623 [0,2,0,0,0,0|1,0,0]=3 5622 B12R1.385 C=CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100015514636 [0,2,0,0,0,0|1,0,0]=3 5623 B12R1.385 C=CCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000210623 [0,2,0,0,0,0|1,0,0]=3 5624 B12R1.385 C=CCNc1ccc(c(c1)Cl)F 34a_100000211060_100015514636 [0,2,0,0,0,0|1,0,0]=3 5625 B12R1.385 C=CCNc1ccc(c(c1)Cl)F 7a_100000211060_100015514636 [0,2,0,0,0,0|1,0,0]=3 5626 B12R1.385 C=CCNc1ccc(c(c1)Cl)I 34a_100000761885_100015514636 [0,2,0,0,0,0|1,0,0]=3 5627 B12R1.385 C=CCNc1ccc(c(c1)Cl)O 34a_100000744943_100015514636 [0,2,0,0,0,0|0,0,0]=2 5628 B12R1.385 C=CCNc1ccc(c(c1)F)Br 2230a_100000759894_100000210623 [0,2,0,0,0,0|1,0,0]=3 5629 B12R1.385 C=CCNc1ccc(c(c1)F)Br 34a_100000759894_100015514636 [0,2,0,0,0,0|1,0,0]=3 5630 B12R1.385 C=CCNc1ccc(c(c1)F)Br 7a_100000759894_100015514636 [0,2,0,0,0,0|1,0,0]=3 5631 B12R1.385 C=CCNc1ccc(c(c1)F)C 2230a_100000210958_100000210623 [0,2,0,0,0,0|1,0,0]=3 5632 B12R1.385 C=CCNc1ccc(c(c1)F)C 34a_100000210958_100015514636 [0,2,0,0,0,0|1,0,0]=3 5633 B12R1.385 C=CCNc1ccc(c(c1)F)C 7a_100000210958_100015514636 [0,2,0,0,0,0|1,0,0]=3 5634 B12R1.385 C=CCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210623 [0,2,0,0,0,0|1,0,0]=3 5635 B12R1.385 C=CCNc1ccc(c(c1)F)Cl 34a_100000739366_100015514636 [0,2,0,0,0,0|1,0,0]=3 5636 B12R1.385 C=CCNc1ccc(c(c1)F)Cl 7a_100000739366_100015514636 [0,2,0,0,0,0|1,0,0]=3 5637 B12R1.385 C=CCNc1ccc(c(c1)F)F 2230a_100000210724_100000210623 [0,2,0,0,0,0|1,0,0]=3 5638 B12R1.385 C=CCNc1ccc(c(c1)F)F 34a_100000210724_100015514636 [0,2,0,0,0,0|1,0,0]=3 5639 B12R1.385 C=CCNc1ccc(c(c1)F)F 7a_100000210724_100015514636 [0,2,0,0,0,0|1,0,0]=3 5640 B12R1.385 C=CCNc1ccc(c(c1)F)I 34a_100011356925_100015514636 [0,2,0,0,0,0|1,0,0]=3 5641 B12R1.385 C=CCNc1ccc(c(c1)F)I 7a_100011356925_100015514636 [0,2,0,0,0,0|1,0,0]=3 5642 B12R1.385 C=CCNc1ccc(c(c1)F)O 34a_100011220035_100015514636 [0,2,0,0,0,0|0,0,0]=2 5643 B12R1.385 C=CCNc1ccc(c(c1)F)O 7a_100011220035_100015514636 [0,2,0,0,0,0|0,0,0]=2 5644 B12R1.385 C=CCNc1ccc(c(c1)I)Br 34a_100000750459_100015514636 [0,2,0,0,0,0|1,0,0]=3 5645 B12R1.385 C=CCNc1ccc(c(c1)I)C 34a_100000184131_100015514636 [0,2,0,0,0,0|1,0,0]=3 5646 B12R1.385 C=CCNc1ccc(c(c1)I)C 7a_100000184131_100015514636 [0,2,0,0,0,0|1,0,0]=3 5647 B12R1.385 C=CCNc1ccc(c(c1)I)Cl 34a_100012360549_100015514636 [0,2,0,0,0,0|1,0,0]=3 5648 B12R1.385 C=CCNc1ccc(c(c1)I)F 34a_114828291077_100015514636 [0,2,0,0,0,0|1,0,0]=3 5649 B12R1.385 C=CCNc1ccc(c(c1)I)F 7a_114828291077_100015514636 [0,2,0,0,0,0|1,0,0]=3 5650 B12R1.385 C=CCNc1ccc(c(c1)O)C 34a_100000759471_100015514636 [0,2,0,0,0,0|1,0,0]=3 5651 B12R1.385 C=CCNc1ccc(c(c1)O)C 7a_100000759471_100015514636 [0,2,0,0,0,0|1,0,0]=3 5652 B12R1.385 C=CCNc1ccc(c(c1)O)Cl 34a_100011934209_100015514636 [0,2,0,0,0,0|1,0,0]=3 5653 B12R1.385 C=CCNc1ccc(c(c1)O)F 34a_100012017398_100015514636 [0,2,0,0,0,0|1,0,0]=3 5654 B12R1.385 C=CCNc1ccc(c(c1)O)F 7a_100012017398_100015514636 [0,2,0,0,0,0|1,0,0]=3 5655 B12R1.385 C=CCNc1ccc(c(c1)O)O 34a_100102946323_100015514636 [0,2,0,0,0,0|0,0,0]=2 5656 B12R1.385 C=CCNc1ccc(c(n1)F)Br 27a_100020586998_100010134343 [0,2,0,0,0,0|2,0,0]=4 5657 B12R1.385 C=CCNc1ccn(c(=O)c1)C 27a_100020586998_100009820031 [0,2,0,0,0,0|2,0,0]=4 5658 B12R1.385 C=CCOc1cc(c(cn1)Br)C 34a_100000766222_100015514636 [0,2,0,0,0,0|2,0,0]=4 5659 B12R1.385 C=CCOc1cc(c(cn1)Br)Cl 34a_100010369989_100015514636 [0,2,0,0,0,0|2,0,0]=4 5660 B12R1.385 C=CCOc1cc(c(cn1)C)Br 34a_100009831917_100015514636 [0,2,0,0,0,0|2,0,0]=4 5661 B12R1.385 C=CCOc1cc(c(cn1)Cl)C 34a_200000085746_100015514636 [0,2,0,0,0,0|2,0,0]=4 5662 B12R1.385 C=CCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100015514636 [0,2,0,0,0,0|2,0,0]=4 5663 B12R1.385 C=CCOc1ccc(c(c1)Br)C 34a_100011380479_100015514636 [0,2,0,0,0,0|1,0,0]=3 5664 B12R1.385 C=CCOc1ccc(c(c1)Br)C 7a_100011380479_100015514636 [0,2,0,0,0,0|1,0,0]=3 5665 B12R1.385 C=CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100015514636 [0,2,0,0,0,0|1,0,0]=3 5666 B12R1.385 C=CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100015514636 [0,2,0,0,0,0|1,0,0]=3 5667 B12R1.385 C=CCOc1ccc(c(c1)Br)F 34a_100000693481_100015514636 [0,2,0,0,0,0|1,0,0]=3 5668 B12R1.385 C=CCOc1ccc(c(c1)Br)F 7a_100000693481_100015514636 [0,2,0,0,0,0|1,0,0]=3 5669 B12R1.385 C=CCOc1ccc(c(c1)Br)I 34a_100000701344_100015514636 [0,2,0,0,0,0|1,0,0]=3 5670 B12R1.385 C=CCOc1ccc(c(c1)Br)I 7a_100000701344_100015514636 [0,2,0,0,0,0|1,0,0]=3 5671 B12R1.385 C=CCOc1ccc(c(c1)Br)N 34a_100012001276_100015514636 [0,2,0,0,0,0|1,0,0]=3 5672 B12R1.385 C=CCOc1ccc(c(c1)Br)N 7a_100012001276_100015514636 [0,2,0,0,0,0|1,0,0]=3 5673 B12R1.385 C=CCOc1ccc(c(c1)C)Br 34a_100000690111_100015514636 [0,2,0,0,0,0|1,0,0]=3 5674 B12R1.385 C=CCOc1ccc(c(c1)C)Br 7a_100000690111_100015514636 [0,2,0,0,0,0|1,0,0]=3 5675 B12R1.385 C=CCOc1ccc(c(c1)C)C 34a_100000210932_100015514636 [0,2,0,0,0,0|1,0,0]=3 5676 B12R1.385 C=CCOc1ccc(c(c1)C)C 7a_100000210932_100015514636 [0,2,0,0,0,0|1,0,0]=3 5677 B12R1.385 C=CCOc1ccc(c(c1)C)Cl 34a_100000211092_100015514636 [0,2,0,0,0,0|1,0,0]=3 5678 B12R1.385 C=CCOc1ccc(c(c1)C)Cl 7a_100000211092_100015514636 [0,2,0,0,0,0|1,0,0]=3 5679 B12R1.385 C=CCOc1ccc(c(c1)C)F 34a_100000751312_100015514636 [0,2,0,0,0,0|1,0,0]=3 5680 B12R1.385 C=CCOc1ccc(c(c1)C)F 7a_100000751312_100015514636 [0,2,0,0,0,0|1,0,0]=3 5681 B12R1.385 C=CCOc1ccc(c(c1)C)I 34a_100000729255_100015514636 [0,2,0,0,0,0|1,0,0]=3 5682 B12R1.385 C=CCOc1ccc(c(c1)C)I 7a_100000729255_100015514636 [0,2,0,0,0,0|1,0,0]=3 5683 B12R1.385 C=CCOc1ccc(c(c1)C)N 34a_100000756630_100015514636 [0,2,0,0,0,0|1,0,0]=3 5684 B12R1.385 C=CCOc1ccc(c(c1)C)N 7a_100000756630_100015514636 [0,2,0,0,0,0|1,0,0]=3 5685 B12R1.385 C=CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100015514636 [0,2,0,0,0,0|1,0,0]=3 5686 B12R1.385 C=CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100015514636 [0,2,0,0,0,0|1,0,0]=3 5687 B12R1.385 C=CCOc1ccc(c(c1)Cl)C 34a_100011265682_100015514636 [0,2,0,0,0,0|1,0,0]=3 5688 B12R1.385 C=CCOc1ccc(c(c1)Cl)C 7a_100011265682_100015514636 [0,2,0,0,0,0|1,0,0]=3 5689 B12R1.385 C=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100015514636 [0,2,0,0,0,0|1,0,0]=3 5690 B12R1.385 C=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100015514636 [0,2,0,0,0,0|1,0,0]=3 5691 B12R1.385 C=CCOc1ccc(c(c1)Cl)F 34a_100000211030_100015514636 [0,2,0,0,0,0|1,0,0]=3 5692 B12R1.385 C=CCOc1ccc(c(c1)Cl)F 7a_100000211030_100015514636 [0,2,0,0,0,0|1,0,0]=3 5693 B12R1.385 C=CCOc1ccc(c(c1)Cl)I 34a_100000047559_100015514636 [0,2,0,0,0,0|1,0,0]=3 5694 B12R1.385 C=CCOc1ccc(c(c1)Cl)I 7a_100000047559_100015514636 [0,2,0,0,0,0|1,0,0]=3 5695 B12R1.385 C=CCOc1ccc(c(c1)Cl)N 34a_100011215599_100015514636 [0,2,0,0,0,0|1,0,0]=3 5696 B12R1.385 C=CCOc1ccc(c(c1)Cl)N 7a_100011215599_100015514636 [0,2,0,0,0,0|1,0,0]=3 5697 B12R1.385 C=CCOc1ccc(c(c1)F)Br 34a_100000755031_100015514636 [0,2,0,0,0,0|1,0,0]=3 5698 B12R1.385 C=CCOc1ccc(c(c1)F)Br 7a_100000755031_100015514636 [0,2,0,0,0,0|1,0,0]=3 5699 B12R1.385 C=CCOc1ccc(c(c1)F)C 34a_100000722560_100015514636 [0,2,0,0,0,0|1,0,0]=3 5700 B12R1.385 C=CCOc1ccc(c(c1)F)C 7a_100000722560_100015514636 [0,2,0,0,0,0|1,0,0]=3 5701 B12R1.385 C=CCOc1ccc(c(c1)F)Cl 34a_100000691581_100015514636 [0,2,0,0,0,0|1,0,0]=3 5702 B12R1.385 C=CCOc1ccc(c(c1)F)Cl 7a_100000691581_100015514636 [0,2,0,0,0,0|1,0,0]=3 5703 B12R1.385 C=CCOc1ccc(c(c1)F)F 34a_100000181275_100015514636 [0,2,0,0,0,0|1,0,0]=3 5704 B12R1.385 C=CCOc1ccc(c(c1)F)F 7a_100000181275_100015514636 [0,2,0,0,0,0|1,0,0]=3 5705 B12R1.385 C=CCOc1ccc(c(c1)F)I 34a_100009990212_100015514636 [0,2,0,0,0,0|1,0,0]=3 5706 B12R1.385 C=CCOc1ccc(c(c1)F)I 7a_100009990212_100015514636 [0,2,0,0,0,0|1,0,0]=3 5707 B12R1.385 C=CCOc1ccc(c(c1)F)N 34a_100000759473_100015514636 [0,2,0,0,0,0|1,0,0]=3 5708 B12R1.385 C=CCOc1ccc(c(c1)F)N 7a_100000759473_100015514636 [0,2,0,0,0,0|1,0,0]=3 5709 B12R1.385 C=CCOc1ccc(c(c1)I)Br 34a_100012339312_100015514636 [0,2,0,0,0,0|1,0,0]=3 5710 B12R1.385 C=CCOc1ccc(c(c1)I)Br 7a_100012339312_100015514636 [0,2,0,0,0,0|1,0,0]=3 5711 B12R1.385 C=CCOc1ccc(c(c1)I)Cl 34a_100000049588_100015514636 [0,2,0,0,0,0|1,0,0]=3 5712 B12R1.385 C=CCOc1ccc(c(c1)I)Cl 7a_100000049588_100015514636 [0,2,0,0,0,0|1,0,0]=3 5713 B12R1.385 C=CCOc1ccc(c(c1)I)N 34a_100010084370_100015514636 [0,2,0,0,0,0|1,0,0]=3 5714 B12R1.385 C=CCOc1ccc(c(c1)I)N 7a_100010084370_100015514636 [0,2,0,0,0,0|1,0,0]=3 5715 B12R1.385 C=CCOc1ccc(c(c1)N)Br 34a_100011999798_100015514636 [0,2,0,0,0,0|1,0,0]=3 5716 B12R1.385 C=CCOc1ccc(c(c1)N)Br 7a_100011999798_100015514636 [0,2,0,0,0,0|1,0,0]=3 5717 B12R1.385 C=CCOc1ccc(c(c1)N)C 34a_100011216113_100015514636 [0,2,0,0,0,0|1,0,0]=3 5718 B12R1.385 C=CCOc1ccc(c(c1)N)C 7a_100011216113_100015514636 [0,2,0,0,0,0|1,0,0]=3 5719 B12R1.385 C=CCOc1ccc(c(c1)N)Cl 34a_100011934297_100015514636 [0,2,0,0,0,0|1,0,0]=3 5720 B12R1.385 C=CCOc1ccc(c(c1)N)F 34a_100012017239_100015514636 [0,2,0,0,0,0|1,0,0]=3 5721 B12R1.385 C=CCOc1ccc(c(c1)N)F 7a_100012017239_100015514636 [0,2,0,0,0,0|1,0,0]=3 5722 B12R1.385 C=CCOc1ccc(c(c1)N)N 34a_100025771000_100015514636 [0,2,0,0,0,0|1,0,0]=3 5723 B12R1.385 C=CCOc1ccc(c(n1)C)Br 34a_100000691680_100015514636 [0,2,0,0,0,0|2,0,0]=4 5724 B12R1.385 C=CCOc1ccc(c(n1)C)Cl 34a_200009863735_100015514636 [0,2,0,0,0,0|2,0,0]=4 5725 B12R1.385 C=CCOc1ccc(c(n1)F)Br 34a_100009879308_100015514636 [0,2,0,0,0,0|2,0,0]=4 5726 B12R1.385 C=CCOc1cnc(c(c1)Br)C 34a_100009819603_100015514636 [0,2,0,0,0,0|2,0,0]=4 5727 B12R1.385 C=CCOc1cnc(c(c1)Br)C 7a_100009819603_100015514636 [0,2,0,0,0,0|2,0,0]=4 5728 B12R1.385 C=CCOc1cnc(c(c1)Br)Cl 34a_100012356455_100015514636 [0,2,0,0,0,0|2,0,0]=4 5729 B12R1.385 C=CCOc1cnc(c(c1)Br)Cl 7a_100012356455_100015514636 [0,2,0,0,0,0|2,0,0]=4 5730 B12R1.385 C=CCOc1cnc(c(c1)Br)F 34a_100009817267_100015514636 [0,2,0,0,0,0|2,0,0]=4 5731 B12R1.385 C=CCOc1cnc(c(c1)Br)F 7a_100009817267_100015514636 [0,2,0,0,0,0|2,0,0]=4 5732 B12R1.385 C=CCOc1cnc(c(c1)C)Br 34a_100012000486_100015514636 [0,2,0,0,0,0|2,0,0]=4 5733 B12R1.385 C=CCOc1cnc(c(c1)C)Br 7a_100012000486_100015514636 [0,2,0,0,0,0|2,0,0]=4 5734 B12R1.385 C=CCOc1cnc(c(c1)C)C 34a_100009854398_100015514636 [0,2,0,0,0,0|2,0,0]=4 5735 B12R1.385 C=CCOc1cnc(c(c1)C)C 7a_100009854398_100015514636 [0,2,0,0,0,0|2,0,0]=4 5736 B12R1.385 C=CCOc1cnc(c(c1)C)Cl 34a_100012002680_100015514636 [0,2,0,0,0,0|2,0,0]=4 5737 B12R1.385 C=CCOc1cnc(c(c1)C)Cl 7a_100012002680_100015514636 [0,2,0,0,0,0|2,0,0]=4 5738 B12R1.385 C=CCOc1cnc(c(c1)C)F 34a_100000094615_100015514636 [0,2,0,0,0,0|2,0,0]=4 5739 B12R1.385 C=CCOc1cnc(c(c1)C)F 7a_100000094615_100015514636 [0,2,0,0,0,0|2,0,0]=4 5740 B12R1.385 C=CCOc1cnc(c(c1)Cl)Br 34a_100010209684_100015514636 [0,2,0,0,0,0|2,0,0]=4 5741 B12R1.385 C=CCOc1cnc(c(c1)Cl)Br 7a_100010209684_100015514636 [0,2,0,0,0,0|2,0,0]=4 5742 B12R1.385 C=CCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100015514636 [0,2,0,0,0,0|2,0,0]=4 5743 B12R1.385 C=CCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100015514636 [0,2,0,0,0,0|2,0,0]=4 5744 B12R1.385 C=CCOc1cnc(c(c1)Cl)F 34a_100000087088_100015514636 [0,2,0,0,0,0|2,0,0]=4 5745 B12R1.385 C=CCOc1cnc(c(c1)Cl)F 7a_100000087088_100015514636 [0,2,0,0,0,0|2,0,0]=4 5746 B12R1.385 C=CCOc1cnc(c(c1)F)Cl 34a_100000063512_100015514636 [0,2,0,0,0,0|2,0,0]=4 5747 B12R1.385 C=CCOc1cnc(c(c1)F)Cl 7a_100000063512_100015514636 [0,2,0,0,0,0|2,0,0]=4 5748 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)Br 62a_100000210623_100010125443 [0,2,0,0,0,0|1,0,1]=4 5749 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210623 [0,2,0,0,0,0|1,0,1]=4 5750 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)F 62a_100000210623_100000723523 [0,2,0,0,0,0|1,0,1]=4 5751 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210623 [0,2,0,0,0,0|1,0,1]=4 5752 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)O 62a_100000210623_100009814561 [0,2,0,0,0,0|1,0,1]=4 5753 B12R1.385 C=CCSc1cc(c(cn1)Br)C 62a_100000210623_100012356354 [0,2,0,0,0,0|2,0,0]=4 5754 B12R1.385 C=CCSc1cc(c(cn1)Br)C 62a_100012356354_100000210623 [0,2,0,0,0,0|2,0,0]=4 5755 B12R1.385 C=CCSc1cc(c(cn1)C)C 62a_100000210623_100009850809 [0,2,0,0,0,0|2,0,0]=4 5756 B12R1.385 C=CCSc1cc(c(cn1)C)C 62a_100009850809_100000210623 [0,2,0,0,0,0|2,0,0]=4 5757 B12R1.385 C=CCSc1cc(c(cn1)C)F 62a_100000210623_100009841206 [0,2,0,0,0,0|2,0,0]=4 5758 B12R1.385 C=CCSc1cc(c(cn1)C)F 62a_100009841206_100000210623 [0,2,0,0,0,0|2,0,0]=4 5759 B12R1.385 C=CCSc1cc(c(cn1)C)N 62a_100000126663_100000210623 [0,2,0,0,0,0|2,0,0]=4 5760 B12R1.385 C=CCSc1cc(c(cn1)C)N 62a_100000210623_100000126663 [0,2,0,0,0,0|2,0,0]=4 5761 B12R1.385 C=CCSc1cc(c(cn1)C)O 62a_100000210623_100000704368 [0,2,0,0,0,0|2,0,0]=4 5762 B12R1.385 C=CCSc1cc(c(cn1)C)O 62a_100000704368_100000210623 [0,2,0,0,0,0|2,0,0]=4 5763 B12R1.385 C=CCSc1cc(c(cn1)F)C 62a_100000210623_100009818257 [0,2,0,0,0,0|2,0,0]=4 5764 B12R1.385 C=CCSc1cc(c(cn1)F)C 62a_100009818257_100000210623 [0,2,0,0,0,0|2,0,0]=4 5765 B12R1.385 C=CCSc1cc(c(cn1)F)N 62a_100000126464_100000210623 [0,2,0,0,0,0|2,0,0]=4 5766 B12R1.385 C=CCSc1cc(c(cn1)F)N 62a_100000210623_100000126464 [0,2,0,0,0,0|2,0,0]=4 5767 B12R1.385 C=CCSc1cc(c(cn1)F)O 62a_100000210623_100009854642 [0,2,0,0,0,0|2,0,0]=4 5768 B12R1.385 C=CCSc1cc(c(cn1)F)O 62a_100009854642_100000210623 [0,2,0,0,0,0|2,0,0]=4 5769 B12R1.385 C=CCSc1cc(c(cn1)N)C 62a_100000067204_100000210623 [0,2,0,0,0,0|2,0,0]=4 5770 B12R1.385 C=CCSc1cc(c(cn1)N)C 62a_100000210623_100000067204 [0,2,0,0,0,0|2,0,0]=4 5771 B12R1.385 C=CCSc1cc(c(cn1)N)N 62a_100000067514_100000210623 [0,2,0,0,0,0|2,0,0]=4 5772 B12R1.385 C=CCSc1cc(c(cn1)N)N 62a_100000210623_100000067514 [0,2,0,0,0,0|2,0,0]=4 5773 B12R1.385 C=CCSc1cc(c(cn1)O)C 62a_100000210623_100000692680 [0,2,0,0,0,0|1,0,0]=3 5774 B12R1.385 C=CCSc1cc(c(cn1)O)N 62a_100000210623_100009819941 [0,2,0,0,0,0|1,0,0]=3 5775 B12R1.385 C=CCSc1cc(c(cn1)O)N 62a_100009819941_100000210623 [0,2,0,0,0,0|1,0,0]=3 5776 B12R1.385 C=CCSc1ccc(=O)n(c1)C 62a_100000210623_100011245003 [0,2,0,0,0,0|1,0,1]=4 5777 B12R1.385 C=CCSc1ccc(=O)n(c1)C 62a_100011245003_100000210623 [0,2,0,0,0,0|1,0,1]=4 5778 B12R1.385 C=CCSc1ccc([n+](c1)[O-])C 62a_100000210623_100000703231 [0,2,0,0,0,0|2,0,0]=4 5779 B12R1.385 C=CCSc1ccc(c(c1)Br)Br 62a_100000210623_100012356285 [0,2,0,0,0,0|1,0,0]=3 5780 B12R1.385 C=CCSc1ccc(c(c1)Br)Br 62a_100012356285_100000210623 [0,2,0,0,0,0|1,0,0]=3 5781 B12R1.385 C=CCSc1ccc(c(c1)Br)C 62a_100000210623_100011847877 [0,2,0,0,0,0|1,0,0]=3 5782 B12R1.385 C=CCSc1ccc(c(c1)Br)C 62a_100011847877_100000210623 [0,2,0,0,0,0|1,0,0]=3 5783 B12R1.385 C=CCSc1ccc(c(c1)Br)Cl 62a_100000210623_100012353702 [0,2,0,0,0,0|1,0,0]=3 5784 B12R1.385 C=CCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210623 [0,2,0,0,0,0|1,0,0]=3 5785 B12R1.385 C=CCSc1ccc(c(c1)Br)F 62a_100000210623_100012047266 [0,2,0,0,0,0|1,0,0]=3 5786 B12R1.385 C=CCSc1ccc(c(c1)Br)F 62a_100012047266_100000210623 [0,2,0,0,0,0|1,0,0]=3 5787 B12R1.385 C=CCSc1ccc(c(c1)Br)N 62a_100000210623_100000750455 [0,2,0,0,0,0|1,0,0]=3 5788 B12R1.385 C=CCSc1ccc(c(c1)Br)N 62a_100000750455_100000210623 [0,2,0,0,0,0|1,0,0]=3 5789 B12R1.385 C=CCSc1ccc(c(c1)Br)O 62a_100000210623_100012361655 [0,2,0,0,0,0|0,0,0]=2 5790 B12R1.385 C=CCSc1ccc(c(c1)Br)O 62a_100012361655_100000210623 [0,2,0,0,0,0|0,0,0]=2 5791 B12R1.385 C=CCSc1ccc(c(c1)C)Br 62a_100000210623_100009813585 [0,2,0,0,0,0|1,0,0]=3 5792 B12R1.385 C=CCSc1ccc(c(c1)C)Br 62a_100009813585_100000210623 [0,2,0,0,0,0|1,0,0]=3 5793 B12R1.385 C=CCSc1ccc(c(c1)C)C 62a_100000210623_100011215607 [0,2,0,0,0,0|1,0,0]=3 5794 B12R1.385 C=CCSc1ccc(c(c1)C)C 62a_100011215607_100000210623 [0,2,0,0,0,0|1,0,0]=3 5795 B12R1.385 C=CCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210623 [0,2,0,0,0,0|1,0,0]=3 5796 B12R1.385 C=CCSc1ccc(c(c1)C)Cl 62a_100000210623_100000049509 [0,2,0,0,0,0|1,0,0]=3 5797 B12R1.385 C=CCSc1ccc(c(c1)C)F 62a_100000210623_100011218330 [0,2,0,0,0,0|1,0,0]=3 5798 B12R1.385 C=CCSc1ccc(c(c1)C)F 62a_100011218330_100000210623 [0,2,0,0,0,0|1,0,0]=3 5799 B12R1.385 C=CCSc1ccc(c(c1)C)N 62a_100000210623_100000211769 [0,2,0,0,0,0|1,0,0]=3 5800 B12R1.385 C=CCSc1ccc(c(c1)C)N 62a_100000211769_100000210623 [0,2,0,0,0,0|1,0,0]=3 5801 B12R1.385 C=CCSc1ccc(c(c1)C)O 62a_100000210623_100000186361 [0,2,0,0,0,0|0,0,0]=2 5802 B12R1.385 C=CCSc1ccc(c(c1)Cl)Br 62a_100000210623_100012047281 [0,2,0,0,0,0|1,0,0]=3 5803 B12R1.385 C=CCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000210623 [0,2,0,0,0,0|1,0,0]=3 5804 B12R1.385 C=CCSc1ccc(c(c1)Cl)C 62a_100000210623_100011216363 [0,2,0,0,0,0|1,0,0]=3 5805 B12R1.385 C=CCSc1ccc(c(c1)Cl)C 62a_100011216363_100000210623 [0,2,0,0,0,0|1,0,0]=3 5806 B12R1.385 C=CCSc1ccc(c(c1)Cl)Cl 62a_100000210623_100011214914 [0,2,0,0,0,0|1,0,0]=3 5807 B12R1.385 C=CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210623 [0,2,0,0,0,0|1,0,0]=3 5808 B12R1.385 C=CCSc1ccc(c(c1)Cl)F 62a_100000210623_100011215976 [0,2,0,0,0,0|1,0,0]=3 5809 B12R1.385 C=CCSc1ccc(c(c1)Cl)F 62a_100011215976_100000210623 [0,2,0,0,0,0|1,0,0]=3 5810 B12R1.385 C=CCSc1ccc(c(c1)Cl)N 62a_100000210623_100011218065 [0,2,0,0,0,0|1,0,0]=3 5811 B12R1.385 C=CCSc1ccc(c(c1)Cl)N 62a_100011218065_100000210623 [0,2,0,0,0,0|1,0,0]=3 5812 B12R1.385 C=CCSc1ccc(c(c1)Cl)O 62a_100000210623_100012360047 [0,2,0,0,0,0|0,0,0]=2 5813 B12R1.385 C=CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210623 [0,2,0,0,0,0|0,0,0]=2 5814 B12R1.385 C=CCSc1ccc(c(c1)F)Br 62a_100000210623_100000685389 [0,2,0,0,0,0|1,0,0]=3 5815 B12R1.385 C=CCSc1ccc(c(c1)F)Br 62a_100000685389_100000210623 [0,2,0,0,0,0|1,0,0]=3 5816 B12R1.385 C=CCSc1ccc(c(c1)F)C 62a_100000210623_100000720648 [0,2,0,0,0,0|1,0,0]=3 5817 B12R1.385 C=CCSc1ccc(c(c1)F)C 62a_100000720648_100000210623 [0,2,0,0,0,0|1,0,0]=3 5818 B12R1.385 C=CCSc1ccc(c(c1)F)Cl 62a_100000210623_100011216805 [0,2,0,0,0,0|1,0,0]=3 5819 B12R1.385 C=CCSc1ccc(c(c1)F)Cl 62a_100011216805_100000210623 [0,2,0,0,0,0|1,0,0]=3 5820 B12R1.385 C=CCSc1ccc(c(c1)F)F 62a_100000210623_100000703953 [0,2,0,0,0,0|1,0,0]=3 5821 B12R1.385 C=CCSc1ccc(c(c1)F)F 62a_100000703953_100000210623 [0,2,0,0,0,0|1,0,0]=3 5822 B12R1.385 C=CCSc1ccc(c(c1)F)N 62a_100000210623_100011215594 [0,2,0,0,0,0|1,0,0]=3 5823 B12R1.385 C=CCSc1ccc(c(c1)F)N 62a_100011215594_100000210623 [0,2,0,0,0,0|1,0,0]=3 5824 B12R1.385 C=CCSc1ccc(c(c1)F)O 62a_100000185481_100000210623 [0,2,0,0,0,0|0,0,0]=2 5825 B12R1.385 C=CCSc1ccc(c(c1)F)O 62a_100000210623_100000185481 [0,2,0,0,0,0|0,0,0]=2 5826 B12R1.385 C=CCSc1ccc(c(c1)N)Br 62a_100000210623_100000750456 [0,2,0,0,0,0|1,0,0]=3 5827 B12R1.385 C=CCSc1ccc(c(c1)N)Br 62a_100000750456_100000210623 [0,2,0,0,0,0|1,0,0]=3 5828 B12R1.385 C=CCSc1ccc(c(c1)N)C 62a_100000210623_100000761890 [0,2,0,0,0,0|1,0,0]=3 5829 B12R1.385 C=CCSc1ccc(c(c1)N)C 62a_100000761890_100000210623 [0,2,0,0,0,0|1,0,0]=3 5830 B12R1.385 C=CCSc1ccc(c(c1)N)Cl 62a_100000210623_200000761891 [0,2,0,0,0,0|1,0,0]=3 5831 B12R1.385 C=CCSc1ccc(c(c1)N)Cl 62a_200000761891_100000210623 [0,2,0,0,0,0|1,0,0]=3 5832 B12R1.385 C=CCSc1ccc(c(c1)N)F 62a_100000210623_100000740924 [0,2,0,0,0,0|1,0,0]=3 5833 B12R1.385 C=CCSc1ccc(c(c1)N)F 62a_100000740924_100000210623 [0,2,0,0,0,0|1,0,0]=3 5834 B12R1.385 C=CCSc1ccc(c(c1)N)N 62a_100000210623_100011534411 [0,2,0,0,0,0|1,0,0]=3 5835 B12R1.385 C=CCSc1ccc(c(c1)N)N 62a_100000741789_100000210623 [0,2,0,0,0,0|1,0,0]=3 5836 B12R1.385 C=CCSc1ccc(c(c1)N)O 62a_100000210623_100000752626 [0,2,0,0,0,0|0,0,0]=2 5837 B12R1.385 C=CCSc1ccc(c(c1)N)O 62a_100000752626_100000210623 [0,2,0,0,0,0|0,0,0]=2 5838 B12R1.385 C=CCSc1ccc(c(c1)O)Br 62a_100000210623_100012356990 [0,2,0,0,0,0|1,0,0]=3 5839 B12R1.385 C=CCSc1ccc(c(c1)O)Br 62a_100012356990_100000210623 [0,2,0,0,0,0|1,0,0]=3 5840 B12R1.385 C=CCSc1ccc(c(c1)O)C 62a_100000210623_100000685420 [0,2,0,0,0,0|1,0,0]=3 5841 B12R1.385 C=CCSc1ccc(c(c1)O)C 62a_100000685420_100000210623 [0,2,0,0,0,0|1,0,0]=3 5842 B12R1.385 C=CCSc1ccc(c(c1)O)Cl 62a_100000210623_100011356854 [0,2,0,0,0,0|1,0,0]=3 5843 B12R1.385 C=CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210623 [0,2,0,0,0,0|1,0,0]=3 5844 B12R1.385 C=CCSc1ccc(c(c1)O)F 62a_100000210623_100000686035 [0,2,0,0,0,0|1,0,0]=3 5845 B12R1.385 C=CCSc1ccc(c(c1)O)F 62a_100000686035_100000210623 [0,2,0,0,0,0|1,0,0]=3 5846 B12R1.385 C=CCSc1ccc(c(c1)O)N 62a_100000210623_100000739049 [0,2,0,0,0,0|1,0,0]=3 5847 B12R1.385 C=CCSc1ccc(c(c1)O)N 62a_100000739049_100000210623 [0,2,0,0,0,0|1,0,0]=3 5848 B12R1.385 C=CCSc1ccc(c(c1)O)O 62a_100000210623_100009813601 [0,2,0,0,0,0|0,0,0]=2 5849 B12R1.385 C=CCSc1ccc(c(n1)Br)O 62a_100000210623_100000725334 [0,2,0,0,0,0|1,0,0]=3 5850 B12R1.385 C=CCSc1ccc(c(n1)Br)O 62a_100000725334_100000210623 [0,2,0,0,0,0|1,0,0]=3 5851 B12R1.385 C=CCSc1ccc(c(n1)C)Br 62a_100000210623_100012360386 [0,2,0,0,0,0|2,0,0]=4 5852 B12R1.385 C=CCSc1ccc(c(n1)C)Br 62a_100012360386_100000210623 [0,2,0,0,0,0|2,0,0]=4 5853 B12R1.385 C=CCSc1ccc(c(n1)C)C 62a_100000103781_100000210623 [0,2,0,0,0,0|2,0,0]=4 5854 B12R1.385 C=CCSc1ccc(c(n1)C)C 62a_100000210623_100000103781 [0,2,0,0,0,0|2,0,0]=4 5855 B12R1.385 C=CCSc1ccc(c(n1)C)F 62a_100000210623_100009814307 [0,2,0,0,0,0|2,0,0]=4 5856 B12R1.385 C=CCSc1ccc(c(n1)C)F 62a_100009814307_100000210623 [0,2,0,0,0,0|2,0,0]=4 5857 B12R1.385 C=CCSc1ccc(c(n1)C)N 62a_100000210623_100000720120 [0,2,0,0,0,0|2,0,0]=4 5858 B12R1.385 C=CCSc1ccc(c(n1)C)N 62a_100000720120_100000210623 [0,2,0,0,0,0|2,0,0]=4 5859 B12R1.385 C=CCSc1ccc(c(n1)C)O 62a_100000210623_100010233687 [0,2,0,0,0,0|1,0,0]=3 5860 B12R1.385 C=CCSc1ccc(c(n1)C)O 62a_100010233687_100000210623 [0,2,0,0,0,0|1,0,0]=3 5861 B12R1.385 C=CCSc1ccc(c(n1)Cl)N 62a_100000210623_200010233646 [0,2,0,0,0,0|2,0,0]=4 5862 B12R1.385 C=CCSc1ccc(c(n1)Cl)N 62a_200010233646_100000210623 [0,2,0,0,0,0|2,0,0]=4 5863 B12R1.385 C=CCSc1ccc(c(n1)Cl)O 62a_100000210623_100000721234 [0,2,0,0,0,0|1,0,0]=3 5864 B12R1.385 C=CCSc1ccc(c(n1)F)Br 62a_100000210623_100010134343 [0,2,0,0,0,0|2,0,0]=4 5865 B12R1.385 C=CCSc1ccc(c(n1)F)Br 62a_100010134343_100000210623 [0,2,0,0,0,0|2,0,0]=4 5866 B12R1.385 C=CCSc1ccc(c(n1)F)N 62a_100000210623_100009856439 [0,2,0,0,0,0|2,0,0]=4 5867 B12R1.385 C=CCSc1ccc(c(n1)F)N 62a_100009856439_100000210623 [0,2,0,0,0,0|2,0,0]=4 5868 B12R1.385 C=CCSc1ccc(c(n1)F)O 62a_100000210623_100009819667 [0,2,0,0,0,0|1,0,0]=3 5869 B12R1.385 C=CCSc1ccc(c(n1)F)O 62a_100009819667_100000210623 [0,2,0,0,0,0|1,0,0]=3 5870 B12R1.385 C=CCSc1ccc(c(n1)N)C 62a_100000210623_100009857032 [0,2,0,0,0,0|2,0,0]=4 5871 B12R1.385 C=CCSc1ccc(c(n1)N)C 62a_100009857032_100000210623 [0,2,0,0,0,0|2,0,0]=4 5872 B12R1.385 C=CCSc1ccc(c(n1)N)F 62a_100000210623_100016091773 [0,2,0,0,0,0|2,0,0]=4 5873 B12R1.385 C=CCSc1ccc(c(n1)N)F 62a_100016091773_100000210623 [0,2,0,0,0,0|2,0,0]=4 5874 B12R1.385 C=CCSc1ccc(c(n1)N)N 62a_100000747239_100000210623 [0,2,0,0,0,0|2,0,0]=4 5875 B12R1.385 C=CCSc1ccc(c(n1)N)O 62a_100000210623_100000685527 [0,2,0,0,0,0|1,0,0]=3 5876 B12R1.385 C=CCSc1ccc(c(n1)N)O 62a_100000685527_100000210623 [0,2,0,0,0,0|1,0,0]=3 5877 B12R1.385 C=CCSc1ccc(c(n1)O)F 62a_100000210623_100010729010 [0,2,0,0,0,0|2,0,0]=4 5878 B12R1.385 C=CCSc1ccc(c(n1)O)N 62a_100000718904_100000210623 [0,2,0,0,0,0|2,0,0]=4 5879 B12R1.385 C=CCSc1ccn(c(=O)c1)C 62a_100000210623_100009820031 [0,2,0,0,0,0|2,0,0]=4 5880 B12R1.385 C=CCSc1ccn(c(=O)c1)C 62a_100009820031_100000210623 [0,2,0,0,0,0|2,0,0]=4 5881 B12R1.385 C=CCSc1cnc(c(c1)Br)Cl 62a_100000210623_100010172733 [0,2,0,0,0,0|2,0,0]=4 5882 B12R1.385 C=CCSc1cnc(c(c1)Br)Cl 62a_100010172733_100000210623 [0,2,0,0,0,0|2,0,0]=4 5883 B12R1.385 C=CCSc1cnc(c(c1)Br)N 62a_100000210623_100012353989 [0,2,0,0,0,0|2,0,0]=4 5884 B12R1.385 C=CCSc1cnc(c(c1)Br)N 62a_100012353989_100000210623 [0,2,0,0,0,0|2,0,0]=4 5885 B12R1.385 C=CCSc1cnc(c(c1)C)Br 62a_100000210623_100009816107 [0,2,0,0,0,0|2,0,0]=4 5886 B12R1.385 C=CCSc1cnc(c(c1)C)Br 62a_100009816107_100000210623 [0,2,0,0,0,0|2,0,0]=4 5887 B12R1.385 C=CCSc1cnc(c(c1)C)C 62a_100000210623_100000697892 [0,2,0,0,0,0|2,0,0]=4 5888 B12R1.385 C=CCSc1cnc(c(c1)C)C 62a_100000697892_100000210623 [0,2,0,0,0,0|2,0,0]=4 5889 B12R1.385 C=CCSc1cnc(c(c1)C)Cl 62a_100000210623_100009922867 [0,2,0,0,0,0|2,0,0]=4 5890 B12R1.385 C=CCSc1cnc(c(c1)C)Cl 62a_100009922867_100000210623 [0,2,0,0,0,0|2,0,0]=4 5891 B12R1.385 C=CCSc1cnc(c(c1)C)F 62a_100000210623_100000709442 [0,2,0,0,0,0|2,0,0]=4 5892 B12R1.385 C=CCSc1cnc(c(c1)C)F 62a_100000709442_100000210623 [0,2,0,0,0,0|2,0,0]=4 5893 B12R1.385 C=CCSc1cnc(c(c1)C)N 62a_100000210623_100000684428 [0,2,0,0,0,0|2,0,0]=4 5894 B12R1.385 C=CCSc1cnc(c(c1)C)N 62a_100000684428_100000210623 [0,2,0,0,0,0|2,0,0]=4 5895 B12R1.385 C=CCSc1cnc(c(c1)C)O 62a_100000210623_100000685391 [0,2,0,0,0,0|1,0,0]=3 5896 B12R1.385 C=CCSc1cnc(c(c1)C)O 62a_100000685391_100000210623 [0,2,0,0,0,0|1,0,0]=3 5897 B12R1.385 C=CCSc1cnc(c(c1)Cl)N 62a_100000210623_100012356299 [0,2,0,0,0,0|2,0,0]=4 5898 B12R1.385 C=CCSc1cnc(c(c1)Cl)N 62a_100012356299_100000210623 [0,2,0,0,0,0|2,0,0]=4 5899 B12R1.385 C=CCSc1cnc(c(c1)Cl)O 62a_100000210623_100010238531 [0,2,0,0,0,0|1,0,0]=3 5900 B12R1.385 C=CCSc1cnc(c(c1)Cl)O 62a_100010238531_100000210623 [0,2,0,0,0,0|1,0,0]=3 5901 B12R1.385 C=CCSc1cnc(c(c1)F)C 62a_100000210623_100009845756 [0,2,0,0,0,0|2,0,0]=4 5902 B12R1.385 C=CCSc1cnc(c(c1)F)C 62a_100009845756_100000210623 [0,2,0,0,0,0|2,0,0]=4 5903 B12R1.385 C=CCSc1cnc(c(c1)F)F 62a_100000210623_100009817721 [0,2,0,0,0,0|2,0,0]=4 5904 B12R1.385 C=CCSc1cnc(c(c1)F)F 62a_100009817721_100000210623 [0,2,0,0,0,0|2,0,0]=4 5905 B12R1.385 C=CCSc1cnc(c(c1)F)N 62a_100000210623_100000693161 [0,2,0,0,0,0|2,0,0]=4 5906 B12R1.385 C=CCSc1cnc(c(c1)F)N 62a_100000693161_100000210623 [0,2,0,0,0,0|2,0,0]=4 5907 B12R1.385 C=CCSc1cnc(c(c1)N)C 62a_100000210623_100011999542 [0,2,0,0,0,0|2,0,0]=4 5908 B12R1.385 C=CCSc1cnc(c(c1)N)C 62a_100011999542_100000210623 [0,2,0,0,0,0|2,0,0]=4 5909 B12R1.385 C=CCSc1cnc(c(c1)N)Cl 62a_100000210623_100009828400 [0,2,0,0,0,0|2,0,0]=4 5910 B12R1.385 C=CCSc1cnc(c(c1)N)Cl 62a_100009828400_100000210623 [0,2,0,0,0,0|2,0,0]=4 5911 B12R1.385 C=CCSc1cnc(c(c1)N)F 62a_100000210623_100009816798 [0,2,0,0,0,0|2,0,0]=4 5912 B12R1.385 C=CCSc1cnc(c(c1)N)F 62a_100009816798_100000210623 [0,2,0,0,0,0|2,0,0]=4 5913 B12R1.385 C=CCSc1cnc(c(c1)N)N 62a_100000184470_100000210623 [0,2,0,0,0,0|2,0,0]=4 5914 B12R1.385 C=CCSc1cnc(c(c1)N)N 62a_100000210623_100000184470 [0,2,0,0,0,0|2,0,0]=4 5915 B12R1.385 C=CCSc1cnc(c(c1)N)O 62a_100000210623_100000743729 [0,2,0,0,0,0|1,0,0]=3 5916 B12R1.385 C=CCSc1cnc(c(c1)N)O 62a_100000743729_100000210623 [0,2,0,0,0,0|1,0,0]=3 5917 B12R1.385 C=CCSc1cnc(c(c1)O)C 62a_100000210623_100009864810 [0,2,0,0,0,0|2,0,0]=4 5918 B12R1.385 C=CCSc1cnc(c(c1)O)C 62a_100009864810_100000210623 [0,2,0,0,0,0|2,0,0]=4 5919 B12R1.385 C=CCSc1cnc(c(c1)O)F 62a_100000210623_100009819871 [0,2,0,0,0,0|2,0,0]=4 5920 B12R1.385 C=CCSc1cnc(c(c1)O)F 62a_100009819871_100000210623 [0,2,0,0,0,0|2,0,0]=4 5921 B12R1.385 C=CCSc1cnc(c(c1)O)N 62a_100000210623_100009819042 [0,2,0,0,0,0|2,0,0]=4 5922 B12R1.385 C=CCSc1cnc(c(c1)O)N 62a_100009819042_100000210623 [0,2,0,0,0,0|2,0,0]=4 5923 B12R1.385 CCCCc1ccc(c(c1)Br)O 271570a_100020621405_100012361655 [0,2,0,0,0,0|0,0,2]=4 5924 B12R1.385 CCCCc1ccc(c(c1)C)O 271570a_100020621405_100000186361 [0,2,0,0,0,0|0,0,2]=4 5925 B12R1.385 CCCCc1ccc(c(c1)Cl)O 271570a_100020621405_100012360047 [0,2,0,0,0,0|0,0,2]=4 5926 B12R1.385 CCCCc1ccc(c(c1)F)O 271570a_100020621405_100000185481 [0,2,0,0,0,0|0,0,2]=4 5927 B12R1.385 CCCCc1ccc(c(c1)N)O 271570a_100020621405_100000752626 [0,2,0,0,0,0|0,0,2]=4 5928 B12R1.385 CCCCc1ccc(c(c1)O)O 271570a_100020621405_100009813601 [0,2,0,0,0,0|0,0,2]=4 5929 B12R1.385 CCCNc1ccc(c(c1)Br)O 34a_100011534360_100000210303 [0,2,0,0,0,0|0,0,2]=4 5930 B12R1.385 CCCNc1ccc(c(c1)C)O 34a_100011218179_100000210303 [0,2,0,0,0,0|0,0,2]=4 5931 B12R1.385 CCCNc1ccc(c(c1)C)O 7a_100011218179_100000210303 [0,2,0,0,0,0|0,0,2]=4 5932 B12R1.385 CCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000210303 [0,2,0,0,0,0|0,0,2]=4 5933 B12R1.385 CCCNc1ccc(c(c1)F)O 34a_100011220035_100000210303 [0,2,0,0,0,0|0,0,2]=4 5934 B12R1.385 CCCNc1ccc(c(c1)F)O 7a_100011220035_100000210303 [0,2,0,0,0,0|0,0,2]=4 5935 B12R1.385 CCCNc1ccc(c(c1)O)O 34a_100102946323_100000210303 [0,2,0,0,0,0|0,0,2]=4 5936 B12R1.385 CCCOc1ccc(c(c1)C)O 271570a_203496583355_200012361509 [0,2,0,0,0,0|0,0,2]=4 5937 B12R1.385 CCCOc1ccc(c(c1)F)O 271570a_203496583355_200012236930 [0,2,0,0,0,0|0,0,2]=4 5938 B12R1.385 CCCSc1ccc(c(c1)Br)O 62a_100000210303_100012361655 [0,2,0,0,0,0|0,0,2]=4 5939 B12R1.385 CCCSc1ccc(c(c1)Br)O 62a_100012361655_100000210303 [0,2,0,0,0,0|0,0,2]=4 5940 B12R1.385 CCCSc1ccc(c(c1)C)O 62a_100000210303_100000186361 [0,2,0,0,0,0|0,0,2]=4 5941 B12R1.385 CCCSc1ccc(c(c1)Cl)O 62a_100000210303_100012360047 [0,2,0,0,0,0|0,0,2]=4 5942 B12R1.385 CCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210303 [0,2,0,0,0,0|0,0,2]=4 5943 B12R1.385 CCCSc1ccc(c(c1)F)O 62a_100000185481_100000210303 [0,2,0,0,0,0|0,0,2]=4 5944 B12R1.385 CCCSc1ccc(c(c1)F)O 62a_100000210303_100000185481 [0,2,0,0,0,0|0,0,2]=4 5945 B12R1.385 CCCSc1ccc(c(c1)N)O 62a_100000210303_100000752626 [0,2,0,0,0,0|0,0,2]=4 5946 B12R1.385 CCCSc1ccc(c(c1)N)O 62a_100000752626_100000210303 [0,2,0,0,0,0|0,0,2]=4 5947 B12R1.385 CCCSc1ccc(c(c1)O)O 62a_100000210303_100009813601 [0,2,0,0,0,0|0,0,2]=4 5948 B12R1.385 CCNCc1ccc(c(c1)F)O 34a_100000758358_100000210202 [0,2,0,0,0,0|0,0,2]=4 5949 B12R1.385 CCNCc1ccc(c(c1)O)O 34a_100000010075_100000210202 [0,2,0,0,0,0|0,0,2]=4 5950 B12R1.385 CNCCc1ccc(c(c1)O)O 34a_100000210387_200000210301 [0,2,0,0,0,0|0,0,2]=4 5951 B12R1.385 CNCCc1ccc(c(c1)O)O 7a_106832991635_200010393615 [0,2,0,0,0,0|0,0,2]=4 5952 B12R1.385 COCOc1ccc(c(c1)F)O 271570a_203496583355_100012265695 [0,2,0,0,0,0|1,0,1]=4 5953 B12R1.385 COCSc1ccc(c(c1)Br)O 62a_100000766300_100012361655 [0,2,0,0,0,0|1,0,1]=4 5954 B12R1.385 COCSc1ccc(c(c1)Br)O 62a_100012361655_100000766300 [0,2,0,0,0,0|1,0,1]=4 5955 B12R1.385 COCSc1ccc(c(c1)C)O 62a_100000766300_100000186361 [0,2,0,0,0,0|1,0,1]=4 5956 B12R1.385 COCSc1ccc(c(c1)Cl)O 62a_100000766300_100012360047 [0,2,0,0,0,0|1,0,1]=4 5957 B12R1.385 COCSc1ccc(c(c1)Cl)O 62a_100012360047_100000766300 [0,2,0,0,0,0|1,0,1]=4 5958 B12R1.385 COCSc1ccc(c(c1)F)O 62a_100000185481_100000766300 [0,2,0,0,0,0|1,0,1]=4 5959 B12R1.385 COCSc1ccc(c(c1)F)O 62a_100000766300_100000185481 [0,2,0,0,0,0|1,0,1]=4 5960 B12R1.385 COCSc1ccc(c(c1)N)O 62a_100000752626_100000766300 [0,2,0,0,0,0|1,0,1]=4 5961 B12R1.385 COCSc1ccc(c(c1)N)O 62a_100000766300_100000752626 [0,2,0,0,0,0|1,0,1]=4 5962 B12R1.385 COCSc1ccc(c(c1)O)O 62a_100000766300_100009813601 [0,2,0,0,0,0|1,0,1]=4 5963 B12R1.385 CSCCc1ccc(c(c1)O)O 62a_200000210301_200010393615 [0,2,0,0,0,0|0,0,2]=4 5964 B12R1.385 CSCNc1ccc(c(c1)Br)O 34a_100011534360_100011218213 [0,2,0,0,0,0|1,0,1]=4 5965 B12R1.385 CSCNc1ccc(c(c1)C)O 34a_100011218179_100011218213 [0,2,0,0,0,0|1,0,1]=4 5966 B12R1.385 CSCNc1ccc(c(c1)Cl)O 34a_100000744943_100011218213 [0,2,0,0,0,0|1,0,1]=4 5967 B12R1.385 CSCNc1ccc(c(c1)F)O 34a_100011220035_100011218213 [0,2,0,0,0,0|1,0,1]=4 5968 B12R1.385 CSCNc1ccc(c(c1)O)O 34a_100102946323_100011218213 [0,2,0,0,0,0|1,0,1]=4 5969 B12R1.385 CSCSc1ccc(c(c1)Br)O 62a_100011218213_100012361655 [0,2,0,0,0,0|1,0,1]=4 5970 B12R1.385 CSCSc1ccc(c(c1)Br)O 62a_100012361655_100011218213 [0,2,0,0,0,0|1,0,1]=4 5971 B12R1.385 CSCSc1ccc(c(c1)C)O 62a_100011218213_100000186361 [0,2,0,0,0,0|1,0,1]=4 5972 B12R1.385 CSCSc1ccc(c(c1)Cl)O 62a_100011218213_100012360047 [0,2,0,0,0,0|1,0,1]=4 5973 B12R1.385 CSCSc1ccc(c(c1)Cl)O 62a_100012360047_100011218213 [0,2,0,0,0,0|1,0,1]=4 5974 B12R1.385 CSCSc1ccc(c(c1)F)O 62a_100000185481_100011218213 [0,2,0,0,0,0|1,0,1]=4 5975 B12R1.385 CSCSc1ccc(c(c1)F)O 62a_100011218213_100000185481 [0,2,0,0,0,0|1,0,1]=4 5976 B12R1.385 CSCSc1ccc(c(c1)N)O 62a_100000752626_100011218213 [0,2,0,0,0,0|1,0,1]=4 5977 B12R1.385 CSCSc1ccc(c(c1)N)O 62a_100011218213_100000752626 [0,2,0,0,0,0|1,0,1]=4 5978 B12R1.385 CSCSc1ccc(c(c1)O)O 62a_100011218213_100009813601 [0,2,0,0,0,0|1,0,1]=4 5979 B12R1.385 Cc1cc(ccc1Br)NCC=O 2230a_100000210723_200015260668 [0,2,0,0,0,0|2,0,0]=4 5980 B12R1.385 Cc1cc(ccc1Br)NCC=O 34a_100000210723_200009817547 [0,2,0,0,0,0|2,0,0]=4 5981 B12R1.385 Cc1cc(ccc1Br)NCC=O 7a_100000210723_200015260668 [0,2,0,0,0,0|2,0,0]=4 5982 B12R1.385 Cc1cc(ccc1Br)OCC=O 34a_100000690111_200009817547 [0,2,0,0,0,0|2,0,0]=4 5983 B12R1.385 Cc1cc(ccc1Br)OCC=O 7a_100000690111_200015260668 [0,2,0,0,0,0|2,0,0]=4 5984 B12R1.385 Cc1cc(ccc1Br)SCC=O 62a_100009813585_200015260668 [0,2,0,0,0,0|2,0,0]=4 5985 B12R1.385 Cc1cc(ccc1Br)SCC=O 62a_200015260668_100009813585 [0,2,0,0,0,0|2,0,0]=4 5986 B12R1.385 Cc1cc(ccc1Cl)NCC=O 2230a_100000187808_200015260668 [0,2,0,0,0,0|2,0,0]=4 5987 B12R1.385 Cc1cc(ccc1Cl)NCC=O 34a_100000187808_200009817547 [0,2,0,0,0,0|2,0,0]=4 5988 B12R1.385 Cc1cc(ccc1Cl)NCC=O 7a_100000187808_200015260668 [0,2,0,0,0,0|2,0,0]=4 5989 B12R1.385 Cc1cc(ccc1Cl)OCC=O 34a_100000211092_200009817547 [0,2,0,0,0,0|2,0,0]=4 5990 B12R1.385 Cc1cc(ccc1Cl)OCC=O 7a_100000211092_200015260668 [0,2,0,0,0,0|2,0,0]=4 5991 B12R1.385 Cc1cc(ccc1Cl)SCC=O 62a_100000049509_200015260668 [0,2,0,0,0,0|2,0,0]=4 5992 B12R1.385 Cc1cc(ccc1Cl)SCC=O 62a_200015260668_100000049509 [0,2,0,0,0,0|2,0,0]=4 5993 B12R1.385 Cc1cc(ccc1F)NCC=O 2230a_100000750164_200015260668 [0,2,0,0,0,0|2,0,0]=4 5994 B12R1.385 Cc1cc(ccc1F)NCC=O 34a_100000750164_200009817547 [0,2,0,0,0,0|2,0,0]=4 5995 B12R1.385 Cc1cc(ccc1F)NCC=O 7a_100000750164_200015260668 [0,2,0,0,0,0|2,0,0]=4 5996 B12R1.385 Cc1cc(ccc1F)OCC=O 34a_100000751312_200009817547 [0,2,0,0,0,0|2,0,0]=4 5997 B12R1.385 Cc1cc(ccc1F)OCC=O 7a_100000751312_200015260668 [0,2,0,0,0,0|2,0,0]=4 5998 B12R1.385 Cc1cc(ccc1F)SCC=O 62a_100011218330_200015260668 [0,2,0,0,0,0|2,0,0]=4 5999 B12R1.385 Cc1cc(ccc1F)SCC=O 62a_200015260668_100011218330 [0,2,0,0,0,0|2,0,0]=4 6000 B12R1.385 Cc1cc(ccc1I)NCC=O 34a_100000198070_200009817547 [0,2,0,0,0,0|2,0,0]=4 6001 B12R1.385 Cc1cc(ccc1I)NCC=O 7a_100000198070_200015260668 [0,2,0,0,0,0|2,0,0]=4 6002 B12R1.385 Cc1cc(ccc1I)OCC=O 34a_100000729255_200009817547 [0,2,0,0,0,0|2,0,0]=4 6003 B12R1.385 Cc1cc(ccc1I)OCC=O 7a_100000729255_200015260668 [0,2,0,0,0,0|2,0,0]=4 6004 B12R1.385 Cc1cc(ccc1N)OCC=O 34a_100000756630_200009817547 [0,2,0,0,0,0|2,0,0]=4 6005 B12R1.385 Cc1cc(ccc1N)OCC=O 7a_100000756630_200015260668 [0,2,0,0,0,0|2,0,0]=4 6006 B12R1.385 Cc1cc(ccc1N)SCC=O 62a_100000211769_200015260668 [0,2,0,0,0,0|2,0,0]=4 6007 B12R1.385 Cc1cc(ccc1N)SCC=O 62a_200015260668_100000211769 [0,2,0,0,0,0|2,0,0]=4 6008 B12R1.385 Cc1cc(ccc1O)NCC#N 7a_100011218179_100011215382 [0,2,0,0,0,0|1,0,1]=4 6009 B12R1.385 Cc1cc(ccc1O)NCC=O 34a_100011218179_200009817547 [0,2,0,0,0,0|1,0,0]=3 6010 B12R1.385 Cc1cc(ccc1O)NCC=O 7a_100011218179_200015260668 [0,2,0,0,0,0|1,0,0]=3 6011 B12R1.385 Cc1cc(ccc1O)NCCF 34a_100011218179_100011217306 [0,2,0,0,0,0|1,0,1]=4 6012 B12R1.385 Cc1cc(ccc1O)NCCF 7a_100011218179_100011217306 [0,2,0,0,0,0|1,0,1]=4 6013 B12R1.385 Cc1cc(ccc1O)NCCO 34a_100011218179_100000211926 [0,2,0,0,0,0|1,0,1]=4 6014 B12R1.385 Cc1cc(ccc1O)NCCO 7a_100011218179_100000211926 [0,2,0,0,0,0|1,0,1]=4 6015 B12R1.385 Cc1cc(ccc1O)SCC#N 62a_100011215382_100000186361 [0,2,0,0,0,0|1,0,1]=4 6016 B12R1.385 Cc1cc(ccc1O)SCC=O 62a_200015260668_100000186361 [0,2,0,0,0,0|1,0,0]=3 6017 B12R1.385 Cc1cc(ccc1O)SCCF 62a_100011217306_100000186361 [0,2,0,0,0,0|1,0,1]=4 6018 B12R1.385 Cc1cc(ccc1O)SCCO 62a_100000211926_100000186361 [0,2,0,0,0,0|1,0,1]=4 6019 B12R1.385 Cc1cc(cnc1O)SCC=O 62a_100000685391_200015260668 [0,2,0,0,0,0|2,0,0]=4 6020 B12R1.385 Cc1cc(cnc1O)SCC=O 62a_200015260668_100000685391 [0,2,0,0,0,0|2,0,0]=4 6021 B12R1.385 Cc1cc(ncc1O)SCC=O 62a_200015260668_100000692680 [0,2,0,0,0,0|2,0,0]=4 6022 B12R1.385 Cc1ccc(cc1Br)NCC=O 2230a_100000736455_200015260668 [0,2,0,0,0,0|2,0,0]=4 6023 B12R1.385 Cc1ccc(cc1Br)NCC=O 34a_100000736455_200009817547 [0,2,0,0,0,0|2,0,0]=4 6024 B12R1.385 Cc1ccc(cc1Br)NCC=O 7a_100000736455_200015260668 [0,2,0,0,0,0|2,0,0]=4 6025 B12R1.385 Cc1ccc(cc1Br)OCC=O 34a_100011380479_200009817547 [0,2,0,0,0,0|2,0,0]=4 6026 B12R1.385 Cc1ccc(cc1Br)OCC=O 7a_100011380479_200015260668 [0,2,0,0,0,0|2,0,0]=4 6027 B12R1.385 Cc1ccc(cc1Br)SCC=O 62a_100011847877_200015260668 [0,2,0,0,0,0|2,0,0]=4 6028 B12R1.385 Cc1ccc(cc1Br)SCC=O 62a_200015260668_100011847877 [0,2,0,0,0,0|2,0,0]=4 6029 B12R1.385 Cc1ccc(cc1C)NCC=O 2230a_100000724040_200015260668 [0,2,0,0,0,0|2,0,0]=4 6030 B12R1.385 Cc1ccc(cc1C)NCC=O 34a_100000724040_200009817547 [0,2,0,0,0,0|2,0,0]=4 6031 B12R1.385 Cc1ccc(cc1C)NCC=O 7a_100000724040_200015260668 [0,2,0,0,0,0|2,0,0]=4 6032 B12R1.385 Cc1ccc(cc1C)OCC=O 34a_100000210932_200009817547 [0,2,0,0,0,0|2,0,0]=4 6033 B12R1.385 Cc1ccc(cc1C)OCC=O 7a_100000210932_200015260668 [0,2,0,0,0,0|2,0,0]=4 6034 B12R1.385 Cc1ccc(cc1C)SCC=O 62a_100011215607_200015260668 [0,2,0,0,0,0|2,0,0]=4 6035 B12R1.385 Cc1ccc(cc1C)SCC=O 62a_200015260668_100011215607 [0,2,0,0,0,0|2,0,0]=4 6036 B12R1.385 Cc1ccc(cc1Cl)NCC=O 2230a_100000188892_200015260668 [0,2,0,0,0,0|2,0,0]=4 6037 B12R1.385 Cc1ccc(cc1Cl)NCC=O 34a_100000188892_200009817547 [0,2,0,0,0,0|2,0,0]=4 6038 B12R1.385 Cc1ccc(cc1Cl)NCC=O 7a_100000188892_200015260668 [0,2,0,0,0,0|2,0,0]=4 6039 B12R1.385 Cc1ccc(cc1Cl)OCC=O 34a_100011265682_200009817547 [0,2,0,0,0,0|2,0,0]=4 6040 B12R1.385 Cc1ccc(cc1Cl)OCC=O 7a_100011265682_200015260668 [0,2,0,0,0,0|2,0,0]=4 6041 B12R1.385 Cc1ccc(cc1Cl)SCC=O 62a_100011216363_200015260668 [0,2,0,0,0,0|2,0,0]=4 6042 B12R1.385 Cc1ccc(cc1Cl)SCC=O 62a_200015260668_100011216363 [0,2,0,0,0,0|2,0,0]=4 6043 B12R1.385 Cc1ccc(cc1F)NCC=O 2230a_100000210958_200015260668 [0,2,0,0,0,0|2,0,0]=4 6044 B12R1.385 Cc1ccc(cc1F)NCC=O 34a_100000210958_200009817547 [0,2,0,0,0,0|2,0,0]=4 6045 B12R1.385 Cc1ccc(cc1F)NCC=O 7a_100000210958_200015260668 [0,2,0,0,0,0|2,0,0]=4 6046 B12R1.385 Cc1ccc(cc1F)OCC=O 34a_100000722560_200009817547 [0,2,0,0,0,0|2,0,0]=4 6047 B12R1.385 Cc1ccc(cc1F)OCC=O 7a_100000722560_200015260668 [0,2,0,0,0,0|2,0,0]=4 6048 B12R1.385 Cc1ccc(cc1F)SCC=O 62a_100000720648_200015260668 [0,2,0,0,0,0|2,0,0]=4 6049 B12R1.385 Cc1ccc(cc1F)SCC=O 62a_200015260668_100000720648 [0,2,0,0,0,0|2,0,0]=4 6050 B12R1.385 Cc1ccc(cc1I)NCC=O 34a_100000184131_200009817547 [0,2,0,0,0,0|2,0,0]=4 6051 B12R1.385 Cc1ccc(cc1I)NCC=O 7a_100000184131_200015260668 [0,2,0,0,0,0|2,0,0]=4 6052 B12R1.385 Cc1ccc(cc1N)OCC=O 34a_100011216113_200009817547 [0,2,0,0,0,0|2,0,0]=4 6053 B12R1.385 Cc1ccc(cc1N)OCC=O 7a_100011216113_200015260668 [0,2,0,0,0,0|2,0,0]=4 6054 B12R1.385 Cc1ccc(cc1N)SCC=O 62a_100000761890_200015260668 [0,2,0,0,0,0|2,0,0]=4 6055 B12R1.385 Cc1ccc(cc1N)SCC=O 62a_200015260668_100000761890 [0,2,0,0,0,0|2,0,0]=4 6056 B12R1.385 Cc1ccc(cc1O)NCC=O 34a_100000759471_200009817547 [0,2,0,0,0,0|2,0,0]=4 6057 B12R1.385 Cc1ccc(cc1O)NCC=O 7a_100000759471_200015260668 [0,2,0,0,0,0|2,0,0]=4 6058 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_100000685420_200015260668 [0,2,0,0,0,0|2,0,0]=4 6059 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_200015260668_100000685420 [0,2,0,0,0,0|2,0,0]=4 6060 B12R1.385 Cc1nc(ccc1O)SCC=O 62a_100010233687_200015260668 [0,2,0,0,0,0|2,0,0]=4 6061 B12R1.385 Cc1nc(ccc1O)SCC=O 62a_200015260668_100010233687 [0,2,0,0,0,0|2,0,0]=4 6062 B12R1.385 N#CCNc1ccc(c(c1)F)O 7a_100011220035_100011215382 [0,2,0,0,0,0|1,0,1]=4 6063 B12R1.385 N#CCSc1ccc(c(c1)Br)O 62a_100011215382_100012361655 [0,2,0,0,0,0|1,0,1]=4 6064 B12R1.385 N#CCSc1ccc(c(c1)Br)O 62a_100012361655_100011215382 [0,2,0,0,0,0|1,0,1]=4 6065 B12R1.385 N#CCSc1ccc(c(c1)Cl)O 62a_100011215382_100012360047 [0,2,0,0,0,0|1,0,1]=4 6066 B12R1.385 N#CCSc1ccc(c(c1)Cl)O 62a_100012360047_100011215382 [0,2,0,0,0,0|1,0,1]=4 6067 B12R1.385 N#CCSc1ccc(c(c1)F)O 62a_100000185481_100011215382 [0,2,0,0,0,0|1,0,1]=4 6068 B12R1.385 N#CCSc1ccc(c(c1)F)O 62a_100011215382_100000185481 [0,2,0,0,0,0|1,0,1]=4 6069 B12R1.385 N#CCSc1ccc(c(c1)N)O 62a_100000752626_100011215382 [0,2,0,0,0,0|1,0,1]=4 6070 B12R1.385 N#CCSc1ccc(c(c1)N)O 62a_100011215382_100000752626 [0,2,0,0,0,0|1,0,1]=4 6071 B12R1.385 N#CCSc1ccc(c(c1)O)O 62a_100011215382_100009813601 [0,2,0,0,0,0|1,0,1]=4 6072 B12R1.385 Nc1cc(ccc1Br)OCC=O 34a_100011999798_200009817547 [0,2,0,0,0,0|2,0,0]=4 6073 B12R1.385 Nc1cc(ccc1Br)OCC=O 7a_100011999798_200015260668 [0,2,0,0,0,0|2,0,0]=4 6074 B12R1.385 Nc1cc(ccc1Br)SCC=O 62a_100000750456_200015260668 [0,2,0,0,0,0|2,0,0]=4 6075 B12R1.385 Nc1cc(ccc1Br)SCC=O 62a_200015260668_100000750456 [0,2,0,0,0,0|2,0,0]=4 6076 B12R1.385 Nc1cc(ccc1Cl)OCC=O 34a_100011934297_200009817547 [0,2,0,0,0,0|2,0,0]=4 6077 B12R1.385 Nc1cc(ccc1Cl)SCC=O 62a_200000761891_200015260668 [0,2,0,0,0,0|2,0,0]=4 6078 B12R1.385 Nc1cc(ccc1Cl)SCC=O 62a_200015260668_200000761891 [0,2,0,0,0,0|2,0,0]=4 6079 B12R1.385 Nc1cc(ccc1F)OCC=O 34a_100012017239_200009817547 [0,2,0,0,0,0|2,0,0]=4 6080 B12R1.385 Nc1cc(ccc1F)OCC=O 7a_100012017239_200015260668 [0,2,0,0,0,0|2,0,0]=4 6081 B12R1.385 Nc1cc(ccc1F)SCC=O 62a_100000740924_200015260668 [0,2,0,0,0,0|2,0,0]=4 6082 B12R1.385 Nc1cc(ccc1F)SCC=O 62a_200015260668_100000740924 [0,2,0,0,0,0|2,0,0]=4 6083 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_100000752626_200015260668 [0,2,0,0,0,0|1,0,0]=3 6084 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_200015260668_100000752626 [0,2,0,0,0,0|1,0,0]=3 6085 B12R1.385 Nc1cc(ccc1O)SCCF 62a_100000752626_100011217306 [0,2,0,0,0,0|1,0,1]=4 6086 B12R1.385 Nc1cc(ccc1O)SCCF 62a_100011217306_100000752626 [0,2,0,0,0,0|1,0,1]=4 6087 B12R1.385 Nc1cc(ccc1O)SCCO 62a_100000211926_100000752626 [0,2,0,0,0,0|1,0,1]=4 6088 B12R1.385 Nc1cc(ccc1O)SCCO 62a_100000752626_100000211926 [0,2,0,0,0,0|1,0,1]=4 6089 B12R1.385 Nc1cc(cnc1O)SCC=O 62a_100000743729_200015260668 [0,2,0,0,0,0|2,0,0]=4 6090 B12R1.385 Nc1cc(cnc1O)SCC=O 62a_200015260668_100000743729 [0,2,0,0,0,0|2,0,0]=4 6091 B12R1.385 Nc1cc(ncc1O)SCC=O 62a_100009819941_200015260668 [0,2,0,0,0,0|2,0,0]=4 6092 B12R1.385 Nc1cc(ncc1O)SCC=O 62a_200015260668_100009819941 [0,2,0,0,0,0|2,0,0]=4 6093 B12R1.385 Nc1ccc(cc1Br)OCC=O 34a_100012001276_200009817547 [0,2,0,0,0,0|2,0,0]=4 6094 B12R1.385 Nc1ccc(cc1Br)OCC=O 7a_100012001276_200015260668 [0,2,0,0,0,0|2,0,0]=4 6095 B12R1.385 Nc1ccc(cc1Br)SCC=O 62a_100000750455_200015260668 [0,2,0,0,0,0|2,0,0]=4 6096 B12R1.385 Nc1ccc(cc1Br)SCC=O 62a_200015260668_100000750455 [0,2,0,0,0,0|2,0,0]=4 6097 B12R1.385 Nc1ccc(cc1Cl)OCC=O 34a_100011215599_200009817547 [0,2,0,0,0,0|2,0,0]=4 6098 B12R1.385 Nc1ccc(cc1Cl)OCC=O 7a_100011215599_200015260668 [0,2,0,0,0,0|2,0,0]=4 6099 B12R1.385 Nc1ccc(cc1Cl)SCC=O 62a_100011218065_200015260668 [0,2,0,0,0,0|2,0,0]=4 6100 B12R1.385 Nc1ccc(cc1Cl)SCC=O 62a_200015260668_100011218065 [0,2,0,0,0,0|2,0,0]=4 6101 B12R1.385 Nc1ccc(cc1F)OCC=O 34a_100000759473_200009817547 [0,2,0,0,0,0|2,0,0]=4 6102 B12R1.385 Nc1ccc(cc1F)OCC=O 7a_100000759473_200015260668 [0,2,0,0,0,0|2,0,0]=4 6103 B12R1.385 Nc1ccc(cc1F)SCC=O 62a_100011215594_200015260668 [0,2,0,0,0,0|2,0,0]=4 6104 B12R1.385 Nc1ccc(cc1F)SCC=O 62a_200015260668_100011215594 [0,2,0,0,0,0|2,0,0]=4 6105 B12R1.385 Nc1ccc(cc1I)OCC=O 34a_100010084370_200009817547 [0,2,0,0,0,0|2,0,0]=4 6106 B12R1.385 Nc1ccc(cc1I)OCC=O 7a_100010084370_200015260668 [0,2,0,0,0,0|2,0,0]=4 6107 B12R1.385 Nc1ccc(cc1N)OCC=O 34a_100025771000_200009817547 [0,2,0,0,0,0|2,0,0]=4 6108 B12R1.385 Nc1ccc(cc1N)SCC=O 62a_100000741789_200015260668 [0,2,0,0,0,0|2,0,0]=4 6109 B12R1.385 Nc1ccc(cc1N)SCC=O 62a_200015260668_100011534411 [0,2,0,0,0,0|2,0,0]=4 6110 B12R1.385 Nc1ccc(cc1O)SCC=O 62a_100000739049_200015260668 [0,2,0,0,0,0|2,0,0]=4 6111 B12R1.385 Nc1ccc(cc1O)SCC=O 62a_200015260668_100000739049 [0,2,0,0,0,0|2,0,0]=4 6112 B12R1.385 Nc1nc(ccc1O)SCC=O 62a_100000685527_200015260668 [0,2,0,0,0,0|2,0,0]=4 6113 B12R1.385 Nc1nc(ccc1O)SCC=O 62a_200015260668_100000685527 [0,2,0,0,0,0|2,0,0]=4 6114 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 2230a_100011306057_200015260668 [0,2,0,0,0,0|2,0,0]=4 6115 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 34a_100011306057_200009817547 [0,2,0,0,0,0|2,0,0]=4 6116 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 7a_100011306057_200015260668 [0,2,0,0,0,0|2,0,0]=4 6117 B12R1.385 O=CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_200015260668 [0,2,0,0,0,0|2,0,0]=4 6118 B12R1.385 O=CCNc1ccc(c(c1)Br)Cl 34a_100000686031_200009817547 [0,2,0,0,0,0|2,0,0]=4 6119 B12R1.385 O=CCNc1ccc(c(c1)Br)F 2230a_100000760356_200015260668 [0,2,0,0,0,0|2,0,0]=4 6120 B12R1.385 O=CCNc1ccc(c(c1)Br)F 34a_100000760356_200009817547 [0,2,0,0,0,0|2,0,0]=4 6121 B12R1.385 O=CCNc1ccc(c(c1)Br)F 7a_100000760356_200015260668 [0,2,0,0,0,0|2,0,0]=4 6122 B12R1.385 O=CCNc1ccc(c(c1)Br)I 34a_100000750458_200009817547 [0,2,0,0,0,0|2,0,0]=4 6123 B12R1.385 O=CCNc1ccc(c(c1)Br)O 34a_100011534360_200009817547 [0,2,0,0,0,0|1,0,0]=3 6124 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 2230a_100000687081_200015260668 [0,2,0,0,0,0|2,0,0]=4 6125 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 34a_100000687081_200009817547 [0,2,0,0,0,0|2,0,0]=4 6126 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 7a_100000687081_200015260668 [0,2,0,0,0,0|2,0,0]=4 6127 B12R1.385 O=CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_200015260668 [0,2,0,0,0,0|2,0,0]=4 6128 B12R1.385 O=CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_200009817547 [0,2,0,0,0,0|2,0,0]=4 6129 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 2230a_100000211060_200015260668 [0,2,0,0,0,0|2,0,0]=4 6130 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 34a_100000211060_200009817547 [0,2,0,0,0,0|2,0,0]=4 6131 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 7a_100000211060_200015260668 [0,2,0,0,0,0|2,0,0]=4 6132 B12R1.385 O=CCNc1ccc(c(c1)Cl)I 34a_100000761885_200009817547 [0,2,0,0,0,0|2,0,0]=4 6133 B12R1.385 O=CCNc1ccc(c(c1)Cl)O 34a_100000744943_200009817547 [0,2,0,0,0,0|1,0,0]=3 6134 B12R1.385 O=CCNc1ccc(c(c1)F)Br 2230a_100000759894_200015260668 [0,2,0,0,0,0|2,0,0]=4 6135 B12R1.385 O=CCNc1ccc(c(c1)F)Br 34a_100000759894_200009817547 [0,2,0,0,0,0|2,0,0]=4 6136 B12R1.385 O=CCNc1ccc(c(c1)F)Br 7a_100000759894_200015260668 [0,2,0,0,0,0|2,0,0]=4 6137 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 2230a_100000739366_200015260668 [0,2,0,0,0,0|2,0,0]=4 6138 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 34a_100000739366_200009817547 [0,2,0,0,0,0|2,0,0]=4 6139 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 7a_100000739366_200015260668 [0,2,0,0,0,0|2,0,0]=4 6140 B12R1.385 O=CCNc1ccc(c(c1)F)F 2230a_100000210724_200015260668 [0,2,0,0,0,0|2,0,0]=4 6141 B12R1.385 O=CCNc1ccc(c(c1)F)F 34a_100000210724_200009817547 [0,2,0,0,0,0|2,0,0]=4 6142 B12R1.385 O=CCNc1ccc(c(c1)F)F 7a_100000210724_200015260668 [0,2,0,0,0,0|2,0,0]=4 6143 B12R1.385 O=CCNc1ccc(c(c1)F)I 34a_100011356925_200009817547 [0,2,0,0,0,0|2,0,0]=4 6144 B12R1.385 O=CCNc1ccc(c(c1)F)I 7a_100011356925_200015260668 [0,2,0,0,0,0|2,0,0]=4 6145 B12R1.385 O=CCNc1ccc(c(c1)F)O 34a_100011220035_200009817547 [0,2,0,0,0,0|1,0,0]=3 6146 B12R1.385 O=CCNc1ccc(c(c1)F)O 7a_100011220035_200015260668 [0,2,0,0,0,0|1,0,0]=3 6147 B12R1.385 O=CCNc1ccc(c(c1)I)Br 34a_100000750459_200009817547 [0,2,0,0,0,0|2,0,0]=4 6148 B12R1.385 O=CCNc1ccc(c(c1)I)Cl 34a_100012360549_200009817547 [0,2,0,0,0,0|2,0,0]=4 6149 B12R1.385 O=CCNc1ccc(c(c1)I)F 34a_114828291077_200009817547 [0,2,0,0,0,0|2,0,0]=4 6150 B12R1.385 O=CCNc1ccc(c(c1)I)F 7a_114828291077_200015260668 [0,2,0,0,0,0|2,0,0]=4 6151 B12R1.385 O=CCNc1ccc(c(c1)O)Cl 34a_100011934209_200009817547 [0,2,0,0,0,0|2,0,0]=4 6152 B12R1.385 O=CCNc1ccc(c(c1)O)F 34a_100012017398_200009817547 [0,2,0,0,0,0|2,0,0]=4 6153 B12R1.385 O=CCNc1ccc(c(c1)O)F 7a_100012017398_200015260668 [0,2,0,0,0,0|2,0,0]=4 6154 B12R1.385 O=CCNc1ccc(c(c1)O)O 34a_100102946323_200009817547 [0,2,0,0,0,0|1,0,0]=3 6155 B12R1.385 O=CCOc1ccc(c(c1)Br)Cl 34a_100011933957_200009817547 [0,2,0,0,0,0|2,0,0]=4 6156 B12R1.385 O=CCOc1ccc(c(c1)Br)Cl 7a_100011933957_200015260668 [0,2,0,0,0,0|2,0,0]=4 6157 B12R1.385 O=CCOc1ccc(c(c1)Br)F 34a_100000693481_200009817547 [0,2,0,0,0,0|2,0,0]=4 6158 B12R1.385 O=CCOc1ccc(c(c1)Br)F 7a_100000693481_200015260668 [0,2,0,0,0,0|2,0,0]=4 6159 B12R1.385 O=CCOc1ccc(c(c1)Br)I 34a_100000701344_200009817547 [0,2,0,0,0,0|2,0,0]=4 6160 B12R1.385 O=CCOc1ccc(c(c1)Br)I 7a_100000701344_200015260668 [0,2,0,0,0,0|2,0,0]=4 6161 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 34a_100011215161_200009817547 [0,2,0,0,0,0|2,0,0]=4 6162 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 7a_100011215161_200015260668 [0,2,0,0,0,0|2,0,0]=4 6163 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_200009817547 [0,2,0,0,0,0|2,0,0]=4 6164 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_200015260668 [0,2,0,0,0,0|2,0,0]=4 6165 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 34a_100000211030_200009817547 [0,2,0,0,0,0|2,0,0]=4 6166 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 7a_100000211030_200015260668 [0,2,0,0,0,0|2,0,0]=4 6167 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 34a_100000047559_200009817547 [0,2,0,0,0,0|2,0,0]=4 6168 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 7a_100000047559_200015260668 [0,2,0,0,0,0|2,0,0]=4 6169 B12R1.385 O=CCOc1ccc(c(c1)F)Br 34a_100000755031_200009817547 [0,2,0,0,0,0|2,0,0]=4 6170 B12R1.385 O=CCOc1ccc(c(c1)F)Br 7a_100000755031_200015260668 [0,2,0,0,0,0|2,0,0]=4 6171 B12R1.385 O=CCOc1ccc(c(c1)F)Cl 34a_100000691581_200009817547 [0,2,0,0,0,0|2,0,0]=4 6172 B12R1.385 O=CCOc1ccc(c(c1)F)Cl 7a_100000691581_200015260668 [0,2,0,0,0,0|2,0,0]=4 6173 B12R1.385 O=CCOc1ccc(c(c1)F)F 34a_100000181275_200009817547 [0,2,0,0,0,0|2,0,0]=4 6174 B12R1.385 O=CCOc1ccc(c(c1)F)F 7a_100000181275_200015260668 [0,2,0,0,0,0|2,0,0]=4 6175 B12R1.385 O=CCOc1ccc(c(c1)F)I 34a_100009990212_200009817547 [0,2,0,0,0,0|2,0,0]=4 6176 B12R1.385 O=CCOc1ccc(c(c1)F)I 7a_100009990212_200015260668 [0,2,0,0,0,0|2,0,0]=4 6177 B12R1.385 O=CCOc1ccc(c(c1)I)Br 34a_100012339312_200009817547 [0,2,0,0,0,0|2,0,0]=4 6178 B12R1.385 O=CCOc1ccc(c(c1)I)Br 7a_100012339312_200015260668 [0,2,0,0,0,0|2,0,0]=4 6179 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 34a_100000049588_200009817547 [0,2,0,0,0,0|2,0,0]=4 6180 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 7a_100000049588_200015260668 [0,2,0,0,0,0|2,0,0]=4 6181 B12R1.385 O=CCSc1ccc(c(c1)Br)Br 62a_100012356285_200015260668 [0,2,0,0,0,0|2,0,0]=4 6182 B12R1.385 O=CCSc1ccc(c(c1)Br)Br 62a_200015260668_100012356285 [0,2,0,0,0,0|2,0,0]=4 6183 B12R1.385 O=CCSc1ccc(c(c1)Br)Cl 62a_100012353702_200015260668 [0,2,0,0,0,0|2,0,0]=4 6184 B12R1.385 O=CCSc1ccc(c(c1)Br)Cl 62a_200015260668_100012353702 [0,2,0,0,0,0|2,0,0]=4 6185 B12R1.385 O=CCSc1ccc(c(c1)Br)F 62a_100012047266_200015260668 [0,2,0,0,0,0|2,0,0]=4 6186 B12R1.385 O=CCSc1ccc(c(c1)Br)F 62a_200015260668_100012047266 [0,2,0,0,0,0|2,0,0]=4 6187 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_100012361655_200015260668 [0,2,0,0,0,0|1,0,0]=3 6188 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_200015260668_100012361655 [0,2,0,0,0,0|1,0,0]=3 6189 B12R1.385 O=CCSc1ccc(c(c1)Cl)Br 62a_100012047281_200015260668 [0,2,0,0,0,0|2,0,0]=4 6190 B12R1.385 O=CCSc1ccc(c(c1)Cl)Br 62a_200015260668_100012047281 [0,2,0,0,0,0|2,0,0]=4 6191 B12R1.385 O=CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_200015260668 [0,2,0,0,0,0|2,0,0]=4 6192 B12R1.385 O=CCSc1ccc(c(c1)Cl)Cl 62a_200015260668_100011214914 [0,2,0,0,0,0|2,0,0]=4 6193 B12R1.385 O=CCSc1ccc(c(c1)Cl)F 62a_100011215976_200015260668 [0,2,0,0,0,0|2,0,0]=4 6194 B12R1.385 O=CCSc1ccc(c(c1)Cl)F 62a_200015260668_100011215976 [0,2,0,0,0,0|2,0,0]=4 6195 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_100012360047_200015260668 [0,2,0,0,0,0|1,0,0]=3 6196 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_200015260668_100012360047 [0,2,0,0,0,0|1,0,0]=3 6197 B12R1.385 O=CCSc1ccc(c(c1)F)Br 62a_100000685389_200015260668 [0,2,0,0,0,0|2,0,0]=4 6198 B12R1.385 O=CCSc1ccc(c(c1)F)Br 62a_200015260668_100000685389 [0,2,0,0,0,0|2,0,0]=4 6199 B12R1.385 O=CCSc1ccc(c(c1)F)Cl 62a_100011216805_200015260668 [0,2,0,0,0,0|2,0,0]=4 6200 B12R1.385 O=CCSc1ccc(c(c1)F)Cl 62a_200015260668_100011216805 [0,2,0,0,0,0|2,0,0]=4 6201 B12R1.385 O=CCSc1ccc(c(c1)F)F 62a_100000703953_200015260668 [0,2,0,0,0,0|2,0,0]=4 6202 B12R1.385 O=CCSc1ccc(c(c1)F)F 62a_200015260668_100000703953 [0,2,0,0,0,0|2,0,0]=4 6203 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_100000185481_200015260668 [0,2,0,0,0,0|1,0,0]=3 6204 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_200015260668_100000185481 [0,2,0,0,0,0|1,0,0]=3 6205 B12R1.385 O=CCSc1ccc(c(c1)O)Br 62a_100012356990_200015260668 [0,2,0,0,0,0|2,0,0]=4 6206 B12R1.385 O=CCSc1ccc(c(c1)O)Br 62a_200015260668_100012356990 [0,2,0,0,0,0|2,0,0]=4 6207 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_100011356854_200015260668 [0,2,0,0,0,0|2,0,0]=4 6208 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_200015260668_100011356854 [0,2,0,0,0,0|2,0,0]=4 6209 B12R1.385 O=CCSc1ccc(c(c1)O)F 62a_100000686035_200015260668 [0,2,0,0,0,0|2,0,0]=4 6210 B12R1.385 O=CCSc1ccc(c(c1)O)F 62a_200015260668_100000686035 [0,2,0,0,0,0|2,0,0]=4 6211 B12R1.385 O=CCSc1ccc(c(c1)O)O 62a_200015260668_100009813601 [0,2,0,0,0,0|1,0,0]=3 6212 B12R1.385 O=CCSc1ccc(c(n1)Br)O 62a_100000725334_200015260668 [0,2,0,0,0,0|2,0,0]=4 6213 B12R1.385 O=CCSc1ccc(c(n1)Br)O 62a_200015260668_100000725334 [0,2,0,0,0,0|2,0,0]=4 6214 B12R1.385 O=CCSc1ccc(c(n1)Cl)O 62a_200015260668_100000721234 [0,2,0,0,0,0|2,0,0]=4 6215 B12R1.385 O=CCSc1ccc(c(n1)F)O 62a_100009819667_200015260668 [0,2,0,0,0,0|2,0,0]=4 6216 B12R1.385 O=CCSc1ccc(c(n1)F)O 62a_200015260668_100009819667 [0,2,0,0,0,0|2,0,0]=4 6217 B12R1.385 O=CCSc1cnc(c(c1)Cl)O 62a_100010238531_200015260668 [0,2,0,0,0,0|2,0,0]=4 6218 B12R1.385 O=CCSc1cnc(c(c1)Cl)O 62a_200015260668_100010238531 [0,2,0,0,0,0|2,0,0]=4 6219 B12R1.385 OCCNc1ccc(c(c1)Br)O 34a_100011534360_100000211926 [0,2,0,0,0,0|1,0,1]=4 6220 B12R1.385 OCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000211926 [0,2,0,0,0,0|1,0,1]=4 6221 B12R1.385 OCCNc1ccc(c(c1)F)O 34a_100011220035_100000211926 [0,2,0,0,0,0|1,0,1]=4 6222 B12R1.385 OCCNc1ccc(c(c1)F)O 7a_100011220035_100000211926 [0,2,0,0,0,0|1,0,1]=4 6223 B12R1.385 OCCNc1ccc(c(c1)O)O 34a_100102946323_100000211926 [0,2,0,0,0,0|1,0,1]=4 6224 B12R1.385 OCCSc1ccc(c(c1)Br)O 62a_100000211926_100012361655 [0,2,0,0,0,0|1,0,1]=4 6225 B12R1.385 OCCSc1ccc(c(c1)Br)O 62a_100012361655_100000211926 [0,2,0,0,0,0|1,0,1]=4 6226 B12R1.385 OCCSc1ccc(c(c1)Cl)O 62a_100000211926_100012360047 [0,2,0,0,0,0|1,0,1]=4 6227 B12R1.385 OCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000211926 [0,2,0,0,0,0|1,0,1]=4 6228 B12R1.385 OCCSc1ccc(c(c1)F)O 62a_100000185481_100000211926 [0,2,0,0,0,0|1,0,1]=4 6229 B12R1.385 OCCSc1ccc(c(c1)F)O 62a_100000211926_100000185481 [0,2,0,0,0,0|1,0,1]=4 6230 B12R1.385 OCCSc1ccc(c(c1)O)O 62a_100000211926_100009813601 [0,2,0,0,0,0|1,0,1]=4 6231 B12R1.385 Oc1ccc(cc1Br)NCCF 34a_100011534360_100011217306 [0,2,0,0,0,0|1,0,1]=4 6232 B12R1.385 Oc1ccc(cc1Br)SCCF 62a_100011217306_100012361655 [0,2,0,0,0,0|1,0,1]=4 6233 B12R1.385 Oc1ccc(cc1Br)SCCF 62a_100012361655_100011217306 [0,2,0,0,0,0|1,0,1]=4 6234 B12R1.385 Oc1ccc(cc1Cl)NCCF 34a_100000744943_100011217306 [0,2,0,0,0,0|1,0,1]=4 6235 B12R1.385 Oc1ccc(cc1Cl)SCCF 62a_100011217306_100012360047 [0,2,0,0,0,0|1,0,1]=4 6236 B12R1.385 Oc1ccc(cc1Cl)SCCF 62a_100012360047_100011217306 [0,2,0,0,0,0|1,0,1]=4 6237 B12R1.385 Oc1ccc(cc1F)CNCF 34a_100000758358_100015361967 [0,2,0,0,0,0|1,0,1]=4 6238 B12R1.385 Oc1ccc(cc1F)NCCF 34a_100011220035_100011217306 [0,2,0,0,0,0|1,0,1]=4 6239 B12R1.385 Oc1ccc(cc1F)NCCF 7a_100011220035_100011217306 [0,2,0,0,0,0|1,0,1]=4 6240 B12R1.385 Oc1ccc(cc1F)SCCF 62a_100000185481_100011217306 [0,2,0,0,0,0|1,0,1]=4 6241 B12R1.385 Oc1ccc(cc1F)SCCF 62a_100011217306_100000185481 [0,2,0,0,0,0|1,0,1]=4 6242 B12R1.385 Oc1ccc(cc1O)CNCF 34a_100000010075_100015361967 [0,2,0,0,0,0|1,0,1]=4 6243 B12R1.385 Oc1ccc(cc1O)NCCF 34a_100102946323_100011217306 [0,2,0,0,0,0|1,0,1]=4 6244 B12R1.385 Oc1ccc(cc1O)SCCF 62a_100011217306_100009813601 [0,2,0,0,0,0|1,0,1]=4 6245 B12R1.385 [13CH3]NCCc1ccc(c(c1)O)O 34a_100000210387_200025704644 [0,2,0,0,0,0|0,0,2]=4 6246 B12R1.385 [13CH3]SCCc1ccc(c(c1)O)O 62a_200025704644_200010393615 [0,2,0,0,0,0|0,0,2]=4 6247 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000140223 [0,2,0,0,0,0|1,0,1]=4 6248 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_200009884166_200000210301 [0,2,0,0,0,0|1,0,1]=4 6249 B12R1.4 C#Cc1ccc(cc1)CC(=O)[13CH3] 1458a_200009884166_200025704644 [0,2,0,0,0,0|1,0,1]=4 6250 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000034074 [0,2,0,0,0,0|1,0,1]=4 6251 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 271570a_100011290941_100000691760 [0,2,0,0,0,0|1,0,1]=4 6252 B12R1.4 C=Cc1ccc(cc1)CC(=O)N 271570a_100011290941_100000162331 [0,2,0,0,0,0|2,0,0]=4 6253 B12R1.4 CC(=Cc1ccc(cc1)CO)C 271570a_100102525489_100000690907 [0,2,0,0,0,0|0,0,2]=4 6254 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000070787_100000184898 [0,2,0,0,0,0|1,0,1]=4 6255 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200000210301 [0,2,0,0,0,0|1,0,1]=4 6256 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [0,2,0,0,0,0|0,0,2]=4 6257 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [0,2,0,0,0,0|0,0,1]=3 6258 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [0,2,0,0,0,0|0,0,1]=3 6259 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [0,2,0,0,0,0|0,0,1]=3 6260 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [0,2,0,0,0,0|0,0,1]=3 6261 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000691760_200025704644 [0,2,0,0,0,0|0,1,1]=4 6262 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000691760 [0,2,0,0,0,0|0,1,1]=4 6263 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [0,2,0,0,0,0|1,0,1]=4 6264 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [0,2,0,0,0,0|1,0,1]=4 6265 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [0,2,0,0,0,0|1,0,1]=4 6266 B12R1.4 CC(N)Cc1ccc(cc1)O[13CH3] 34a_100102634573_200025704644 [0,2,0,0,0,0|0,0,2]=4 6267 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [0,2,0,0,0,0|1,0,1]=4 6268 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [0,2,0,0,0,0|1,0,1]=4 6269 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [0,2,0,0,0,0|1,0,1]=4 6270 B12R1.4 CN(C)Cc1ccc(cc1)CO 2230a_100102631434_100000067286 [0,2,0,0,0,0|1,0,1]=4 6271 B12R1.4 CN(C)Cc1ccc(cc1)CO 269982a_100102631434_100000067286 [0,2,0,0,0,0|1,0,1]=4 6272 B12R1.4 CN(C)Cc1ccc(cc1)CO 270004a_100102631434_100009832023 [0,2,0,0,0,0|1,0,1]=4 6273 B12R1.4 CNc1ccc(cc1)CC(=O)N 2230a_100000738315_200000210301 [0,2,0,0,0,0|2,0,0]=4 6274 B12R1.4 CNc1ccc(cc1)CC(=O)N 34a_100000738315_200000210301 [0,2,0,0,0,0|2,0,0]=4 6275 B12R1.4 COc1ccc(cc1)C=C(C)C 271570a_100102525489_100000171711 [0,2,0,0,0,0|0,0,2]=4 6276 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [0,2,0,0,0,0|0,0,1]=3 6277 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [0,2,0,0,0,0|0,0,1]=3 6278 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [0,2,0,0,0,0|0,0,1]=3 6279 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [0,2,0,0,0,0|1,0,0]=3 6280 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [0,2,0,0,0,0|0,0,1]=3 6281 B12R1.4 COc1ccc(cc1)CC(C)N 34a_100102634573_200000210301 [0,2,0,0,0,0|0,0,2]=4 6282 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100000184145_200000210301 [0,2,0,0,0,0|1,0,1]=4 6283 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100102631434_100000742318 [0,2,0,0,0,0|1,0,1]=4 6284 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100000184145_200000210301 [0,2,0,0,0,0|1,0,1]=4 6285 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100102631434_100000742318 [0,2,0,0,0,0|1,0,1]=4 6286 B12R1.4 COc1ccc(cc1)CN(C)C 270004a_100102631434_100000169835 [0,2,0,0,0,0|1,0,1]=4 6287 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 2230a_100000184145_200025704644 [0,2,0,0,0,0|1,0,1]=4 6288 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 269982a_100000184145_200025704644 [0,2,0,0,0,0|1,0,1]=4 6289 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [0,2,0,0,0,0|1,0,1]=4 6290 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [0,2,0,0,0,0|1,0,1]=4 6291 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [0,2,0,0,0,0|1,0,1]=4 6292 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [0,2,0,0,0,0|1,0,1]=4 6293 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [0,2,0,0,0,0|1,0,1]=4 6294 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [0,2,0,0,0,0|1,0,1]=4 6295 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100000070787_100020631284 [0,2,0,0,0,0|1,0,1]=4 6296 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100012001117_200000210301 [0,2,0,0,0,0|1,0,1]=4 6297 B12R1.4 COc1ccc(cn1)CC(=O)[13CH3] 1458a_100012001117_200025704644 [0,2,0,0,0,0|1,0,1]=4 6298 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000070787_200000757186 [0,2,0,0,0,0|1,0,1]=4 6299 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000722272_200000210301 [0,2,0,0,0,0|1,0,1]=4 6300 B12R1.4 COc1ccc(nc1)CC(=O)[13CH3] 1458a_100000722272_200025704644 [0,2,0,0,0,0|1,0,1]=4 6301 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000070787_100000181263 [0,2,0,0,0,0|0,1,1]=4 6302 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000756958_200000210301 [0,2,0,0,0,0|0,1,1]=4 6303 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_100000691760_200000210301 [0,2,0,0,0,0|0,1,1]=4 6304 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_200000210301_100000691760 [0,2,0,0,0,0|0,1,1]=4 6305 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_100000162331_200000210301 [0,2,0,0,0,0|1,1,0]=4 6306 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_200000210301_100000162331 [0,2,0,0,0,0|1,1,0]=4 6307 B12R1.4 CSc1ccc(cc1)CC(=O)[13CH3] 1458a_100000756958_200025704644 [0,2,0,0,0,0|0,1,1]=4 6308 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200025704644 [0,2,0,0,0,0|1,0,1]=4 6309 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [0,2,0,0,0,0|0,0,1]=3 6310 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 2230a_100000738315_200025704644 [0,2,0,0,0,0|2,0,0]=4 6311 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 34a_100000738315_200025704644 [0,2,0,0,0,0|2,0,0]=4 6312 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [0,2,0,0,0,0|1,0,0]=3 6313 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_100000162331_200025704644 [0,2,0,0,0,0|1,1,0]=4 6314 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_200025704644_100000162331 [0,2,0,0,0,0|1,1,0]=4 6315 B12R1.19 CC(=Cc1ccc(c(c1)Br)O)C 271570a_100102525489_100012361655 [0,2,0,0,0,0|0,0,2]=4 6316 B12R1.19 CC(=Cc1ccc(c(c1)C)O)C 271570a_100102525489_100000186361 [0,2,0,0,0,0|0,0,2]=4 6317 B12R1.19 CC(=Cc1ccc(c(c1)Cl)O)C 271570a_100102525489_100012360047 [0,2,0,0,0,0|0,0,2]=4 6318 B12R1.19 CC(=Cc1ccc(c(c1)F)O)C 271570a_100102525489_100000185481 [0,2,0,0,0,0|0,0,2]=4 6319 B12R1.19 CC(=Cc1ccc(c(c1)N)O)C 271570a_100102525489_100000752626 [0,2,0,0,0,0|0,0,2]=4 6320 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C 271570a_100102525489_100009813601 [0,2,0,0,0,0|0,0,2]=4 6321 B12R1.19 CC(=O)Cc1cc(=O)c(co1)O 1458a_100000070787_100000010605 [0,2,0,0,0,0|1,0,1]=4 6322 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000070787_100012353900 [0,2,0,0,0,0|1,0,1]=4 6323 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000070787_100012232412 [0,2,0,0,0,0|1,0,1]=4 6324 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000709925_200000210301 [0,2,0,0,0,0|1,0,1]=4 6325 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000070787_100012353894 [0,2,0,0,0,0|1,0,1]=4 6326 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200000210301 [0,2,0,0,0,0|1,0,1]=4 6327 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000070787_100011206884 [0,2,0,0,0,0|1,0,1]=4 6328 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200000210301 [0,2,0,0,0,0|1,0,1]=4 6329 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [0,2,0,0,0,0|0,0,1]=3 6330 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000070787_100000727479 [0,2,0,0,0,0|1,0,1]=4 6331 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_200000210301 [0,2,0,0,0,0|1,0,1]=4 6332 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000070787_100000742320 [0,2,0,0,0,0|1,0,1]=4 6333 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_200000210301 [0,2,0,0,0,0|1,0,1]=4 6334 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000070787_100012184735 [0,2,0,0,0,0|1,0,1]=4 6335 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100000070787_100011216667 [0,2,0,0,0,0|1,0,1]=4 6336 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_200000210301 [0,2,0,0,0,0|1,0,1]=4 6337 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [0,2,0,0,0,0|0,0,1]=3 6338 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000070787_100012353895 [0,2,0,0,0,0|1,0,1]=4 6339 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200000210301 [0,2,0,0,0,0|1,0,1]=4 6340 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000070787_100011823929 [0,2,0,0,0,0|1,0,1]=4 6341 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000070787_100000184707 [0,2,0,0,0,0|1,0,1]=4 6342 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200000210301 [0,2,0,0,0,0|1,0,1]=4 6343 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000070787_100000717365 [0,2,0,0,0,0|1,0,1]=4 6344 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200000210301 [0,2,0,0,0,0|1,0,1]=4 6345 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000070787_100012349665 [0,2,0,0,0,0|1,0,1]=4 6346 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [0,2,0,0,0,0|0,0,1]=3 6347 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000070787_100000767054 [0,2,0,0,0,0|1,0,1]=4 6348 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200000210301 [0,2,0,0,0,0|1,0,1]=4 6349 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100000070787_100011217369 [0,2,0,0,0,0|1,0,1]=4 6350 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100011217375_200000210301 [0,2,0,0,0,0|1,0,1]=4 6351 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000070787_100000716492 [0,2,0,0,0,0|1,0,1]=4 6352 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200000210301 [0,2,0,0,0,0|1,0,1]=4 6353 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000070787_100000757363 [0,2,0,0,0,0|1,0,1]=4 6354 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200000210301 [0,2,0,0,0,0|1,0,1]=4 6355 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100000070787_100010149604 [0,2,0,0,0,0|1,0,1]=4 6356 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200000210301 [0,2,0,0,0,0|1,0,1]=4 6357 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [0,2,0,0,0,0|0,0,1]=3 6358 B12R1.19 CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000070787_100010146616 [0,2,0,0,0,0|1,0,1]=4 6359 B12R1.19 CC(=O)Cc1ccc(c(c1)I)C 1458a_100000070787_100010206137 [0,2,0,0,0,0|1,0,1]=4 6360 B12R1.19 CC(=O)Cc1ccc(c(c1)I)F 1458a_100000070787_100010188208 [0,2,0,0,0,0|1,0,1]=4 6361 B12R1.19 CC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_200000210301 [0,2,0,0,0,0|1,0,1]=4 6362 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [0,2,0,0,0,0|0,0,1]=3 6363 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [0,2,0,0,0,0|0,0,1]=3 6364 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000070787 [0,2,0,0,0,0|1,0,1]=4 6365 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100103153847 [0,2,0,0,0,0|1,0,1]=4 6366 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [0,2,0,0,0,0|1,0,1]=4 6367 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [0,2,0,0,0,0|1,0,1]=4 6368 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [0,2,0,0,0,0|1,0,1]=4 6369 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [0,2,0,0,0,0|1,0,1]=4 6370 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000070787 [0,2,0,0,0,0|1,0,1]=4 6371 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000070787 [0,2,0,0,0,0|1,0,1]=4 6372 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 271570a_203496583355_100011219590 [0,2,0,0,0,0|1,0,1]=4 6373 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100103153847 [0,2,0,0,0,0|1,0,1]=4 6374 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [0,2,0,0,0,0|1,0,1]=4 6375 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [0,2,0,0,0,0|1,0,1]=4 6376 B12R1.19 Cc1cc(ccc1Br)CC(=O)[13CH3] 1458a_100012340274_200025704644 [0,2,0,0,0,0|1,0,1]=4 6377 B12R1.19 Cc1cc(ccc1F)CC(=O)[13CH3] 1458a_100011667458_200025704644 [0,2,0,0,0,0|1,0,1]=4 6378 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [0,2,0,0,0,0|0,0,1]=3 6379 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [0,2,0,0,0,0|2,0,0]=4 6380 B12R1.19 Cc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100000709925_200025704644 [0,2,0,0,0,0|1,0,1]=4 6381 B12R1.19 Cc1ccc(cc1C)CC(=O)[13CH3] 1458a_100000184070_200025704644 [0,2,0,0,0,0|1,0,1]=4 6382 B12R1.19 Cc1ccc(cc1F)CC(=O)[13CH3] 1458a_100011217375_200025704644 [0,2,0,0,0,0|1,0,1]=4 6383 B12R1.19 Cc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000082272_200025704644 [0,2,0,0,0,0|1,0,1]=4 6384 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200025704644 [0,2,0,0,0,0|1,0,1]=4 6385 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200025704644 [0,2,0,0,0,0|1,0,1]=4 6386 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [0,2,0,0,0,0|0,0,1]=3 6387 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200025704644 [0,2,0,0,0,0|1,0,1]=4 6388 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200025704644 [0,2,0,0,0,0|1,0,1]=4 6389 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200025704644 [0,2,0,0,0,0|1,0,1]=4 6390 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [0,2,0,0,0,0|0,0,1]=3 6391 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200025704644 [0,2,0,0,0,0|1,0,1]=4 6392 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200025704644 [0,2,0,0,0,0|1,0,1]=4 6393 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200025704644 [0,2,0,0,0,0|1,0,1]=4 6394 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200025704644 [0,2,0,0,0,0|1,0,1]=4 6395 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [0,2,0,0,0,0|0,0,1]=3 6396 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [0,2,0,0,0,0|0,0,1]=3 6397 B12R1.20 CC(=C(C)c1ccc(cc1)O)C 271570a_200000049429_100000185759 [0,2,0,0,0,0|0,0,2]=4 6398 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [0,2,0,0,0,0|1,0,1]=4 6399 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [0,2,0,0,0,0|1,0,1]=4 6400 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [0,2,0,0,0,0|1,0,1]=4 6401 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [0,2,0,0,0,0|1,0,1]=4 6402 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [0,2,0,0,0,0|1,0,1]=4 6403 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [0,2,0,0,0,0|1,0,1]=4 6404 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [0,2,0,0,0,0|1,0,1]=4 6405 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,2,0,0,0,0|0,0,1]=3 6406 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [0,2,0,0,0,0|1,0,1]=4 6407 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,2,0,0,0,0|1,0,1]=4 6408 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,2,0,0,0,0|1,0,1]=4 6409 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,2,0,0,0,0|0,0,1]=3 6410 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [0,2,0,0,0,0|1,0,1]=4 6411 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [0,2,0,0,0,0|1,0,1]=4 6412 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [0,2,0,0,0,0|1,0,1]=4 6413 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,2,0,0,0,0|1,0,1]=4 6414 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,2,0,0,0,0|1,0,1]=4 6415 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [0,2,0,0,0,0|1,0,1]=4 6416 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [0,2,0,0,0,0|1,0,1]=4 6417 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,2,0,0,0,0|0,0,1]=3 6418 B12R1.20 CC(C)[C@H](N)c1ccc(cc1)O 271570a_203496583355_100102422763 [0,2,0,0,0,0|0,0,2]=4 6419 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [0,2,0,0,0,0|1,0,1]=4 6420 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,2,0,0,0,0|1,0,1]=4 6421 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,2,0,0,0,0|1,0,1]=4 6422 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [0,2,0,0,0,0|1,0,1]=4 6423 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,2,0,0,0,0|1,0,1]=4 6424 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,2,0,0,0,0|1,0,1]=4 6425 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,2,0,0,0,0|0,0,1]=3 6426 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,2,0,0,0,0|1,0,1]=4 6427 B12R1.106 CC(F)(F)Cc1ccc(cc1)O 271570a_203496583355_100010238340 [0,2,0,0,0,0|0,0,2]=4 6428 B12R1.106 CS(=O)(=O)Cc1ccc(cc1)O 271570a_203496583355_100009814647 [0,2,0,0,0,0|1,0,1]=4 6429 B12R1.106 C[Si](C)(C)Cc1ccc(cc1)O 271570a_203496583355_100009813299 [0,2,0,0,0,0|0,1,1]=4 6430 B12R1.106 NS(=O)(=O)Cc1ccc(cc1)O 271570a_203496583355_100000764258 [0,2,0,0,0,0|2,0,0]=4 6431 B12R1.106 Oc1ccc(cc1)CC(F)(F)F 271570a_203496583355_100000723781 [0,2,0,0,0,0|1,0,1]=4 6432 B12R1.233 CC(=Cc1ccc(cc1Br)O)C 271570a_100102525489_100000701344 [0,2,0,0,0,0|0,0,2]=4 6433 B12R1.233 CC(=Cc1ccc(cc1C)O)C 271570a_100102525489_100000729255 [0,2,0,0,0,0|0,0,2]=4 6434 B12R1.233 CC(=Cc1ccc(cc1Cl)O)C 271570a_100102525489_100000047559 [0,2,0,0,0,0|0,0,2]=4 6435 B12R1.233 CC(=Cc1ccc(cc1F)O)C 271570a_100102525489_100000755031 [0,2,0,0,0,0|0,0,2]=4 6436 B12R1.233 CC(=Cc1ccc(cc1N)O)C 271570a_100102525489_100011999798 [0,2,0,0,0,0|0,0,2]=4 6437 B12R1.233 CC(=Cc1ccc(cc1O)O)C 271570a_100102525489_100009813921 [0,2,0,0,0,0|0,0,2]=4 6438 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100000070787_200012351560 [0,2,0,0,0,0|1,0,1]=4 6439 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200000210301 [0,2,0,0,0,0|1,0,1]=4 6440 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000070787_100000755608 [0,2,0,0,0,0|1,0,1]=4 6441 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200000210301 [0,2,0,0,0,0|1,0,1]=4 6442 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000070787_100000243222 [0,2,0,0,0,0|1,0,1]=4 6443 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200000210301 [0,2,0,0,0,0|1,0,1]=4 6444 B12R1.233 CC(=O)Cc1ccc(cc1Br)I 1458a_100000070787_100010146610 [0,2,0,0,0,0|1,0,1]=4 6445 B12R1.233 CC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200000210301 [0,2,0,0,0,0|0,0,1]=3 6446 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000070787_100000708836 [0,2,0,0,0,0|1,0,1]=4 6447 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_200000210301 [0,2,0,0,0,0|1,0,1]=4 6448 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [0,2,0,0,0,0|1,0,1]=4 6449 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [0,2,0,0,0,0|1,0,1]=4 6450 B12R1.233 CC(=O)Cc1ccc(cc1C)Cl 1458a_100000070787_100012361307 [0,2,0,0,0,0|1,0,1]=4 6451 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100000070787_100000700533 [0,2,0,0,0,0|1,0,1]=4 6452 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100011667441_200000210301 [0,2,0,0,0,0|1,0,1]=4 6453 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100000070787_100011740631 [0,2,0,0,0,0|1,0,1]=4 6454 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200000210301 [0,2,0,0,0,0|1,0,1]=4 6455 B12R1.233 CC(=O)Cc1ccc(cc1Cl)C 1458a_100000070787_100012349684 [0,2,0,0,0,0|1,0,1]=4 6456 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000070787_100000188473 [0,2,0,0,0,0|1,0,1]=4 6457 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200000210301 [0,2,0,0,0,0|1,0,1]=4 6458 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000070787_100011216360 [0,2,0,0,0,0|1,0,1]=4 6459 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200000210301 [0,2,0,0,0,0|1,0,1]=4 6460 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100000070787_100000211606 [0,2,0,0,0,0|1,0,1]=4 6461 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200000210301 [0,2,0,0,0,0|1,0,1]=4 6462 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000042674_200000210301 [0,2,0,0,0,0|1,0,1]=4 6463 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000070787_100012002367 [0,2,0,0,0,0|1,0,1]=4 6464 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100000070787_100000709361 [0,2,0,0,0,0|1,0,1]=4 6465 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200000210301 [0,2,0,0,0,0|1,0,1]=4 6466 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000070787_100000748237 [0,2,0,0,0,0|1,0,1]=4 6467 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000684719_200000210301 [0,2,0,0,0,0|1,0,1]=4 6468 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100000070787_100010244991 [0,2,0,0,0,0|1,0,1]=4 6469 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100010149628_200000210301 [0,2,0,0,0,0|1,0,1]=4 6470 B12R1.233 CC(=O)Cc1ccc(cc1F)O 1458a_100000090534_200000210301 [0,2,0,0,0,0|0,0,1]=3 6471 B12R1.233 CC(=O)Cc1ccc(cc1I)Br 1458a_100000070787_100010146615 [0,2,0,0,0,0|1,0,1]=4 6472 B12R1.233 CC(=O)Cc1ccc(cc1I)Cl 1458a_100000070787_100010254388 [0,2,0,0,0,0|1,0,1]=4 6473 B12R1.233 CC(=O)Cc1ccc(cc1I)F 1458a_100000070787_100012354799 [0,2,0,0,0,0|1,0,1]=4 6474 B12R1.233 CC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200000210301 [0,2,0,0,0,0|1,0,1]=4 6475 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000070787 [0,2,0,0,0,0|1,0,1]=4 6476 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100103153847 [0,2,0,0,0,0|1,0,1]=4 6477 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [0,2,0,0,0,0|1,0,1]=4 6478 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [0,2,0,0,0,0|1,0,1]=4 6479 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [0,2,0,0,0,0|1,0,1]=4 6480 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000070787 [0,2,0,0,0,0|1,0,1]=4 6481 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 271570a_203496583355_100011273303 [0,2,0,0,0,0|1,0,1]=4 6482 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100103153847 [0,2,0,0,0,0|1,0,1]=4 6483 B12R1.233 CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000070787 [0,2,0,0,0,0|1,0,1]=4 6484 B12R1.233 CC(=O)Nc1ccc(cc1F)O 271570a_203496583355_100000155584 [0,2,0,0,0,0|1,0,1]=4 6485 B12R1.233 CC(=O)Nc1ccc(cc1F)O 527a_100000759473_100103153847 [0,2,0,0,0,0|1,0,1]=4 6486 B12R1.233 CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000070787 [0,2,0,0,0,0|1,0,1]=4 6487 B12R1.233 CC(=O)Nc1ccc(cc1I)O 527a_100010084370_100103153847 [0,2,0,0,0,0|1,0,1]=4 6488 B12R1.233 CC(=O)Nc1ccc(cc1N)O 271570a_203496583355_100000749274 [0,2,0,0,0,0|1,0,1]=4 6489 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [0,2,0,0,0,0|1,0,1]=4 6490 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [0,2,0,0,0,0|1,0,1]=4 6491 B12R1.233 CC(=O)Oc1ccc(cc1F)O 271570a_203496583355_100009811628 [0,2,0,0,0,0|1,0,1]=4 6492 B12R1.233 CN(C)Cc1ccc(cc1F)O 271570a_203496583355_100000174744 [0,2,0,0,0,0|1,0,1]=4 6493 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])Br 1458a_100000697930_200025704644 [0,2,0,0,0,0|1,0,1]=4 6494 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])F 1458a_100011667441_200025704644 [0,2,0,0,0,0|1,0,1]=4 6495 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [0,2,0,0,0,0|1,0,1]=4 6496 B12R1.233 Cc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000042674_200025704644 [0,2,0,0,0,0|1,0,1]=4 6497 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200025704644 [0,2,0,0,0,0|1,0,1]=4 6498 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200025704644 [0,2,0,0,0,0|1,0,1]=4 6499 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200025704644 [0,2,0,0,0,0|1,0,1]=4 6500 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200025704644 [0,2,0,0,0,0|0,0,1]=3 6501 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200025704644 [0,2,0,0,0,0|1,0,1]=4 6502 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200025704644 [0,2,0,0,0,0|1,0,1]=4 6503 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200025704644 [0,2,0,0,0,0|1,0,1]=4 6504 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200025704644 [0,2,0,0,0,0|1,0,1]=4 6505 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200025704644 [0,2,0,0,0,0|1,0,1]=4 6506 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)F 1458a_100000684719_200025704644 [0,2,0,0,0,0|1,0,1]=4 6507 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)I 1458a_100010149628_200025704644 [0,2,0,0,0,0|1,0,1]=4 6508 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)O 1458a_100000090534_200025704644 [0,2,0,0,0,0|0,0,1]=3 6509 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200025704644 [0,2,0,0,0,0|1,0,1]=4 6510 B12R1.5 CC(CN)c1ccc(cc1)O[13CH3] 34a_200015188644_200025704644 [0,2,0,0,0,0|1,0,1]=4 6511 B12R1.5 CCC(C)c1ccc(cc1)OC 34a_100000211540_200000210301 [0,2,0,0,0,0|0,0,2]=4 6512 B12R1.5 CCC(C)c1ccc(cc1)OC 7a_100000211540_200000210301 [0,2,0,0,0,0|0,0,2]=4 6513 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 34a_100000211540_200025704644 [0,2,0,0,0,0|0,0,2]=4 6514 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 7a_100000211540_200025704644 [0,2,0,0,0,0|0,0,2]=4 6515 B12R1.5 CCC(N)c1ccc(cc1)OC 34a_100015187210_200000210301 [0,2,0,0,0,0|0,0,2]=4 6516 B12R1.5 CCC(N)c1ccc(cc1)O[13CH3] 34a_100015187210_200025704644 [0,2,0,0,0,0|0,0,2]=4 6517 B12R1.5 CNC(C)c1ccc(cc1)CO 269862a_106832991636_100000082505 [0,2,0,0,0,0|1,0,1]=4 6518 B12R1.5 CNC(C)c1ccc(cc1)OC 269862a_106832991636_100000169859 [0,2,0,0,0,0|1,0,1]=4 6519 B12R1.5 CN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_200000210301 [0,2,0,0,0,0|1,0,1]=4 6520 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 34a_200010658654_200025704644 [0,2,0,0,0,0|1,0,1]=4 6521 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 7a_200010658654_200025704644 [0,2,0,0,0,0|1,0,1]=4 6522 B12R1.5 COc1ccc(cc1)C(C)CN 34a_200015188644_200000210301 [0,2,0,0,0,0|1,0,1]=4 6523 B12R1.5 COc1ccc(cc1)C(C)OC 34a_100000742907_200000210301 [0,2,0,0,0,0|1,0,1]=4 6524 B12R1.5 COc1ccc(cc1)C(C)OC 34a_200010658654_200000210301 [0,2,0,0,0,0|1,0,1]=4 6525 B12R1.5 COc1ccc(cc1)C(C)OC 7a_100000742907_200000210301 [0,2,0,0,0,0|1,0,1]=4 6526 B12R1.5 COc1ccc(cc1)C(C)OC 7a_200010658654_200000210301 [0,2,0,0,0,0|1,0,1]=4 6527 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 34a_100000742907_200025704644 [0,2,0,0,0,0|1,0,1]=4 6528 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 7a_100000742907_200025704644 [0,2,0,0,0,0|1,0,1]=4 6529 B12R1.5 COc1ccc(cc1)C(O)CN 34a_100000067596_200000210301 [0,2,0,0,0,0|1,0,1]=4 6530 B12R1.5 COc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100011830352_200025704644 [0,2,0,0,0,0|1,0,1]=4 6531 B12R1.5 [13CH3]Oc1ccc(cc1)C(O)CN 34a_100000067596_200025704644 [0,2,0,0,0,0|1,0,1]=4 6532 B12R1.9 CC(C)(C#N)c1ccc(cc1)O 271570a_203496583355_100000740055 [0,2,0,0,0,0|1,0,1]=4 6533 B12R1.9 CC(C)(C=O)c1ccc(cc1)O 271570a_203496583355_100010228009 [0,2,0,0,0,0|1,0,0]=3 6534 B12R1.9 CCC(F)(F)c1ccc(cc1)O 271570a_203496583355_100010208532 [0,2,0,0,0,0|0,0,2]=4 6535 B12R1.12 CCC(NC)c1ccc(cc1)O 271570a_203496583355_100000231127 [0,2,0,0,0,0|0,0,2]=4 6536 B12R1.12 CCC(NC)c1ccc(cc1)O 34a_100015187210_200000210301 [0,2,0,0,0,0|0,0,2]=4 6537 B12R1.12 CCC(N[13CH3])c1ccc(cc1)O 34a_100015187210_200025704644 [0,2,0,0,0,0|0,0,2]=4 6538 B12R1.12 COC(OC)c1ccc(cc1)O 271570a_203496583355_100009813454 [0,2,0,0,0,0|1,0,1]=4 6539 B12R1.367 CNC(C)c1ccc(c(c1)Br)O 269862a_106832991636_100011772453 [0,2,0,0,0,0|1,0,1]=4 6540 B12R1.367 CNC(C)c1ccc(c(c1)C)O 269862a_106832991636_100000188726 [0,2,0,0,0,0|1,0,1]=4 6541 B12R1.367 CNC(C)c1ccc(c(c1)Cl)O 269862a_106832991636_100000188625 [0,2,0,0,0,0|1,0,1]=4 6542 B12R1.367 CNC(C)c1ccc(c(c1)F)O 269862a_106832991636_100000751691 [0,2,0,0,0,0|1,0,1]=4 6543 B12R1.1703 Cc1cc(ccc1[C@H](N)CO)O 271570a_203496583355_100138412551 [0,2,0,0,0,0|1,0,1]=4 6544 B12R1.112 C=C=Cc1ccc(cc1C#N)O 271570a_100015277604_100009818209 [0,2,0,0,0,0|0,0,2]=4 6545 B12R1.112 C=C=Cc1ccc(cc1C=O)O 271570a_100015277604_100000690577 [0,2,0,0,0,0|0,0,2]=4 6546 B12R1.112 C=C=Cc1ccc(cc1CO)O 271570a_100015277604_100012351483 [0,2,0,0,0,0|0,0,2]=4 6547 B12R1.112 C=C=Cc1ccc(cc1OC)O 271570a_100015277604_100011827694 [0,2,0,0,0,0|0,0,2]=4 6548 B12R1.112 CC=Cc1ccc(cc1C#N)O 271570a_100016259895_100009818209 [0,2,0,0,0,0|0,0,2]=4 6549 B12R1.112 CC=Cc1ccc(cc1C=O)O 271570a_100016259895_100000690577 [0,2,0,0,0,0|0,0,2]=4 6550 B12R1.112 CC=Cc1ccc(cc1CO)O 271570a_100016259895_100012351483 [0,2,0,0,0,0|0,0,2]=4 6551 B12R1.112 CC=Cc1ccc(cc1OC)O 271570a_100016259895_100011827694 [0,2,0,0,0,0|0,0,2]=4 6552 B12R1.112 COc1cc(ccc1CC#N)O 271570a_203496583355_100010245117 [0,2,0,0,0,0|1,0,1]=4 6553 B12R1.112 N#CCc1ccc(cc1C#N)O 271570a_203496583355_100012357537 [0,2,0,0,0,0|1,0,1]=4 6554 B12R1.114 C=C=Cc1ccc(cc1Br)OC 271570a_100015277604_100012349170 [0,2,0,0,0,0|0,0,2]=4 6555 B12R1.114 C=C=Cc1ccc(cc1C)CO 271570a_100015277604_100000718852 [0,2,0,0,0,0|0,0,2]=4 6556 B12R1.114 C=C=Cc1ccc(cc1C)OC 271570a_100015277604_100000759875 [0,2,0,0,0,0|0,0,2]=4 6557 B12R1.114 C=C=Cc1ccc(cc1Cl)CO 271570a_100015277604_100000718186 [0,2,0,0,0,0|0,0,2]=4 6558 B12R1.114 C=C=Cc1ccc(cc1F)CO 271570a_100015277604_100011533735 [0,2,0,0,0,0|0,0,2]=4 6559 B12R1.114 C=C=Cc1ccc(cc1F)OC 271570a_100015277604_100000753793 [0,2,0,0,0,0|0,0,2]=4 6560 B12R1.114 C=C=Cc1ccc(cc1N)CO 271570a_100015277604_100012347568 [0,2,0,0,0,0|0,0,2]=4 6561 B12R1.114 C=C=Cc1ccc(cc1N)OC 271570a_100015277604_100000748021 [0,2,0,0,0,0|0,0,2]=4 6562 B12R1.114 C=C=Cc1ccc(cc1O)CO 271570a_100015277604_100000049605 [0,2,0,0,0,0|0,0,2]=4 6563 B12R1.114 C=C=Cc1ccc(cc1O)OC 271570a_100015277604_100000719091 [0,2,0,0,0,0|0,0,2]=4 6564 B12R1.114 CC=Cc1ccc(cc1Br)OC 271570a_100016259895_100012349170 [0,2,0,0,0,0|0,0,2]=4 6565 B12R1.114 CC=Cc1ccc(cc1C)CO 271570a_100016259895_100000718852 [0,2,0,0,0,0|0,0,2]=4 6566 B12R1.114 CC=Cc1ccc(cc1C)OC 271570a_100016259895_100000759875 [0,2,0,0,0,0|0,0,2]=4 6567 B12R1.114 CC=Cc1ccc(cc1Cl)CO 271570a_100016259895_100000718186 [0,2,0,0,0,0|0,0,2]=4 6568 B12R1.114 CC=Cc1ccc(cc1F)CO 271570a_100016259895_100011533735 [0,2,0,0,0,0|0,0,2]=4 6569 B12R1.114 CC=Cc1ccc(cc1F)OC 271570a_100016259895_100000753793 [0,2,0,0,0,0|0,0,2]=4 6570 B12R1.114 CC=Cc1ccc(cc1N)CO 271570a_100016259895_100012347568 [0,2,0,0,0,0|0,0,2]=4 6571 B12R1.114 CC=Cc1ccc(cc1N)OC 271570a_100016259895_100000748021 [0,2,0,0,0,0|0,0,2]=4 6572 B12R1.114 CC=Cc1ccc(cc1O)CO 271570a_100016259895_100000049605 [0,2,0,0,0,0|0,0,2]=4 6573 B12R1.114 CC=Cc1ccc(cc1O)OC 271570a_100016259895_100000719091 [0,2,0,0,0,0|0,0,2]=4 6574 B12R1.114 CNCc1ccc(cc1Br)CO 26a_100102657272_100011191544 [0,2,0,0,0,0|1,0,1]=4 6575 B12R1.114 CNCc1ccc(cc1Br)OC 207a_100102657272_100000723261 [0,2,0,0,0,0|1,0,1]=4 6576 B12R1.114 CNCc1ccc(cc1Br)OC 2230a_106832991635_100011982828 [0,2,0,0,0,0|1,0,1]=4 6577 B12R1.114 CNCc1ccc(cc1Br)OC 26a_100102657272_100000685887 [0,2,0,0,0,0|1,0,1]=4 6578 B12R1.114 CNCc1ccc(cc1Br)OC 270004a_106832991635_100000723261 [0,2,0,0,0,0|1,0,1]=4 6579 B12R1.114 CNCc1ccc(cc1Br)OC 34a_100102657272_100011982828 [0,2,0,0,0,0|1,0,1]=4 6580 B12R1.114 CNCc1ccc(cc1Br)OC 7a_106832991635_100011982828 [0,2,0,0,0,0|1,0,1]=4 6581 B12R1.114 CNCc1ccc(cc1C)CO 207a_100102657272_100015695768 [0,2,0,0,0,0|1,0,1]=4 6582 B12R1.114 CNCc1ccc(cc1C)CO 270004a_106832991635_100015695768 [0,2,0,0,0,0|1,0,1]=4 6583 B12R1.114 CNCc1ccc(cc1C)OC 207a_100102657272_100011214997 [0,2,0,0,0,0|1,0,1]=4 6584 B12R1.114 CNCc1ccc(cc1C)OC 270004a_106832991635_100011214997 [0,2,0,0,0,0|1,0,1]=4 6585 B12R1.114 CNCc1ccc(cc1Cl)OC 207a_100102657272_100000235372 [0,2,0,0,0,0|1,0,1]=4 6586 B12R1.114 CNCc1ccc(cc1Cl)OC 2230a_106832991635_200011830453 [0,2,0,0,0,0|1,0,1]=4 6587 B12R1.114 CNCc1ccc(cc1Cl)OC 26a_100102657272_100000038596 [0,2,0,0,0,0|1,0,1]=4 6588 B12R1.114 CNCc1ccc(cc1Cl)OC 270004a_106832991635_100000235372 [0,2,0,0,0,0|1,0,1]=4 6589 B12R1.114 CNCc1ccc(cc1Cl)OC 34a_100102657272_200011830453 [0,2,0,0,0,0|1,0,1]=4 6590 B12R1.114 CNCc1ccc(cc1Cl)OC 34a_100138410423_200000210301 [0,2,0,0,0,0|1,0,1]=4 6591 B12R1.114 CNCc1ccc(cc1Cl)OC 7a_106832991635_200011830453 [0,2,0,0,0,0|1,0,1]=4 6592 B12R1.114 CNCc1ccc(cc1F)OC 207a_100102657272_100011216087 [0,2,0,0,0,0|1,0,1]=4 6593 B12R1.114 CNCc1ccc(cc1F)OC 2230a_106832991635_100011260761 [0,2,0,0,0,0|1,0,1]=4 6594 B12R1.114 CNCc1ccc(cc1F)OC 26a_100102657272_100000036999 [0,2,0,0,0,0|1,0,1]=4 6595 B12R1.114 CNCc1ccc(cc1F)OC 270004a_106832991635_100011216087 [0,2,0,0,0,0|1,0,1]=4 6596 B12R1.114 CNCc1ccc(cc1F)OC 34a_100000687396_200000210301 [0,2,0,0,0,0|1,0,1]=4 6597 B12R1.114 CNCc1ccc(cc1F)OC 34a_100102657272_100011260761 [0,2,0,0,0,0|1,0,1]=4 6598 B12R1.114 CNCc1ccc(cc1F)OC 7a_106832991635_100011260761 [0,2,0,0,0,0|1,0,1]=4 6599 B12R1.114 CNCc1ccc(cc1I)OC 207a_100102657272_100010159643 [0,2,0,0,0,0|1,0,1]=4 6600 B12R1.114 CNCc1ccc(cc1I)OC 270004a_106832991635_100010159643 [0,2,0,0,0,0|1,0,1]=4 6601 B12R1.114 COCc1ccc(cc1Br)OC 34a_100011982768_200000210301 [0,2,0,0,0,0|1,0,1]=4 6602 B12R1.114 COCc1ccc(cc1Br)OC 34a_100138415774_100011982828 [0,2,0,0,0,0|1,0,1]=4 6603 B12R1.114 COCc1ccc(cc1Br)OC 7a_100011982768_200000210301 [0,2,0,0,0,0|1,0,1]=4 6604 B12R1.114 COCc1ccc(cc1Cl)OC 34a_100011982767_200000210301 [0,2,0,0,0,0|1,0,1]=4 6605 B12R1.114 COCc1ccc(cc1Cl)OC 34a_100138415774_200011830453 [0,2,0,0,0,0|1,0,1]=4 6606 B12R1.114 COCc1ccc(cc1Cl)OC 7a_100011982767_200000210301 [0,2,0,0,0,0|1,0,1]=4 6607 B12R1.114 COCc1ccc(cc1F)OC 34a_100011830421_200000210301 [0,2,0,0,0,0|1,0,1]=4 6608 B12R1.114 COCc1ccc(cc1F)OC 34a_100138415774_100011260761 [0,2,0,0,0,0|1,0,1]=4 6609 B12R1.114 COCc1ccc(cc1F)OC 7a_100011830421_200000210301 [0,2,0,0,0,0|1,0,1]=4 6610 B12R1.114 COCc1ccc(cc1N)OC 34a_100011998734_200000210301 [0,2,0,0,0,0|1,0,1]=4 6611 B12R1.114 COc1ccc(c(c1)Br)CO[13CH3] 34a_100011982768_200025704644 [0,2,0,0,0,0|1,0,1]=4 6612 B12R1.114 COc1ccc(c(c1)Br)CO[13CH3] 7a_100011982768_200025704644 [0,2,0,0,0,0|1,0,1]=4 6613 B12R1.114 COc1ccc(c(c1)Br)CSC 62a_100011982828_200000210301 [0,2,0,0,0,0|1,0,1]=4 6614 B12R1.114 COc1ccc(c(c1)Br)CSC 62a_200000210301_100011982828 [0,2,0,0,0,0|1,0,1]=4 6615 B12R1.114 COc1ccc(c(c1)Br)CS[13CH3] 62a_100011982828_200025704644 [0,2,0,0,0,0|1,0,1]=4 6616 B12R1.114 COc1ccc(c(c1)Br)CS[13CH3] 62a_200025704644_100011982828 [0,2,0,0,0,0|1,0,1]=4 6617 B12R1.114 COc1ccc(c(c1)Cl)CN[13CH3] 34a_100138410423_200025704644 [0,2,0,0,0,0|1,0,1]=4 6618 B12R1.114 COc1ccc(c(c1)Cl)CO[13CH3] 34a_100011982767_200025704644 [0,2,0,0,0,0|1,0,1]=4 6619 B12R1.114 COc1ccc(c(c1)Cl)CO[13CH3] 7a_100011982767_200025704644 [0,2,0,0,0,0|1,0,1]=4 6620 B12R1.114 COc1ccc(c(c1)Cl)CSC 62a_200000210301_200011830453 [0,2,0,0,0,0|1,0,1]=4 6621 B12R1.114 COc1ccc(c(c1)Cl)CSC 62a_200011830453_200000210301 [0,2,0,0,0,0|1,0,1]=4 6622 B12R1.114 COc1ccc(c(c1)Cl)CS[13CH3] 62a_200011830453_200025704644 [0,2,0,0,0,0|1,0,1]=4 6623 B12R1.114 COc1ccc(c(c1)Cl)CS[13CH3] 62a_200025704644_200011830453 [0,2,0,0,0,0|1,0,1]=4 6624 B12R1.114 COc1ccc(c(c1)F)CN[13CH3] 34a_100000687396_200025704644 [0,2,0,0,0,0|1,0,1]=4 6625 B12R1.114 COc1ccc(c(c1)F)CO[13CH3] 34a_100011830421_200025704644 [0,2,0,0,0,0|1,0,1]=4 6626 B12R1.114 COc1ccc(c(c1)F)CO[13CH3] 7a_100011830421_200025704644 [0,2,0,0,0,0|1,0,1]=4 6627 B12R1.114 COc1ccc(c(c1)F)CSC 62a_100011260761_200000210301 [0,2,0,0,0,0|1,0,1]=4 6628 B12R1.114 COc1ccc(c(c1)F)CSC 62a_200000210301_100011260761 [0,2,0,0,0,0|1,0,1]=4 6629 B12R1.114 COc1ccc(c(c1)F)CS[13CH3] 62a_100011260761_200025704644 [0,2,0,0,0,0|1,0,1]=4 6630 B12R1.114 COc1ccc(c(c1)F)CS[13CH3] 62a_200025704644_100011260761 [0,2,0,0,0,0|1,0,1]=4 6631 B12R1.114 COc1ccc(c(c1)N)CO[13CH3] 34a_100011998734_200025704644 [0,2,0,0,0,0|1,0,1]=4 6632 B12R1.114 COc1ccc(c(c1)O)CC#N 271570a_203496583355_100010146818 [0,2,0,0,0,0|1,0,1]=4 6633 B12R1.544 C=C=Cc1ccc(c(c1C)C)O 271570a_100015277604_100012353674 [0,2,0,0,0,0|0,0,2]=4 6634 B12R1.544 C=C=Cc1ccc(c(c1C)N)O 271570a_100015277604_100013039247 [0,2,0,0,0,0|0,0,2]=4 6635 B12R1.544 C=C=Cc1ccc(c(c1F)C)O 271570a_100015277604_100010390934 [0,2,0,0,0,0|0,0,2]=4 6636 B12R1.544 C=C=Cc1ccc(c(c1F)F)O 271570a_100015277604_100011830415 [0,2,0,0,0,0|0,0,2]=4 6637 B12R1.544 CC=Cc1ccc(c(c1C)C)O 271570a_100016259895_100012353674 [0,2,0,0,0,0|0,0,2]=4 6638 B12R1.544 CC=Cc1ccc(c(c1C)N)O 271570a_100016259895_100013039247 [0,2,0,0,0,0|0,0,2]=4 6639 B12R1.544 CC=Cc1ccc(c(c1F)C)O 271570a_100016259895_100010390934 [0,2,0,0,0,0|0,0,2]=4 6640 B12R1.544 CC=Cc1ccc(c(c1F)F)O 271570a_100016259895_100011830415 [0,2,0,0,0,0|0,0,2]=4 6641 B12R1.544 N#CCc1ccc(c(c1F)F)O 271570a_203496583355_100011084204 [0,2,0,0,0,0|1,0,1]=4 6642 B12R1.1095 C=C=Cc1c(cc(cc1C)O)C 271570a_100015277604_100000243743 [0,2,0,0,0,0|0,0,2]=4 6643 B12R1.1095 C=C=Cc1c(cc(cc1F)O)F 271570a_100015277604_100010219129 [0,2,0,0,0,0|0,0,2]=4 6644 B12R1.1095 C=C=Cc1c(cc(cc1O)O)O 271570a_100015277604_200010341185 [0,2,0,0,0,0|0,0,2]=4 6645 B12R1.1095 CC=Cc1c(cc(cc1C)O)C 271570a_100016259895_100000243743 [0,2,0,0,0,0|0,0,2]=4 6646 B12R1.1095 CC=Cc1c(cc(cc1F)O)F 271570a_100016259895_100010219129 [0,2,0,0,0,0|0,0,2]=4 6647 B12R1.1095 CC=Cc1c(cc(cc1O)O)O 271570a_100016259895_200010341185 [0,2,0,0,0,0|0,0,2]=4 6648 B12R1.1095 CNCc1c(cc(cc1C)O)C 207a_100102657272_100011827661 [0,2,0,0,0,0|1,0,1]=4 6649 B12R1.1095 CNCc1c(cc(cc1F)O)F 207a_100102657272_100000061967 [0,2,0,0,0,0|1,0,1]=4 6650 B12R1.1095 COCc1c(cc(cc1F)O)F 271570a_203496583355_202126162168 [0,2,0,0,0,0|1,0,1]=4 6651 B12R1.1095 N#CCc1c(cc(cc1F)O)F 271570a_203496583355_100009813612 [0,2,0,0,0,0|1,0,1]=4 6652 B12R1.1123 C=C=Cc1cc(c(cc1C)O)C 271570a_100015277604_100000698207 [0,2,0,0,0,0|0,0,2]=4 6653 B12R1.1123 C=C=Cc1cc(c(cc1C)O)F 271570a_100015277604_100012355673 [0,2,0,0,0,0|0,0,2]=4 6654 B12R1.1123 C=C=Cc1cc(c(cc1C)O)N 271570a_100015277604_200010235796 [0,2,0,0,0,0|0,0,2]=4 6655 B12R1.1123 C=C=Cc1cc(c(cc1Cl)O)N 271570a_100015277604_100011011175 [0,2,0,0,0,0|0,0,2]=4 6656 B12R1.1123 C=C=Cc1cc(c(cc1F)O)F 271570a_100015277604_100011830439 [0,2,0,0,0,0|0,0,2]=4 6657 B12R1.1123 C=C=Cc1cc(c(cc1F)O)N 271570a_100015277604_100012359894 [0,2,0,0,0,0|0,0,2]=4 6658 B12R1.1123 CC=Cc1cc(c(cc1C)O)C 271570a_100016259895_100000698207 [0,2,0,0,0,0|0,0,2]=4 6659 B12R1.1123 CC=Cc1cc(c(cc1C)O)F 271570a_100016259895_100012355673 [0,2,0,0,0,0|0,0,2]=4 6660 B12R1.1123 CC=Cc1cc(c(cc1C)O)N 271570a_100016259895_200010235796 [0,2,0,0,0,0|0,0,2]=4 6661 B12R1.1123 CC=Cc1cc(c(cc1Cl)O)N 271570a_100016259895_100011011175 [0,2,0,0,0,0|0,0,2]=4 6662 B12R1.1123 CC=Cc1cc(c(cc1F)O)F 271570a_100016259895_100011830439 [0,2,0,0,0,0|0,0,2]=4 6663 B12R1.1123 CC=Cc1cc(c(cc1F)O)N 271570a_100016259895_100012359894 [0,2,0,0,0,0|0,0,2]=4 6664 B12R1.113 C=C(C)c1ccc(cc1)CC=O 271570a_100000694244_100011361690 [0,2,0,0,0,0|2,0,0]=4 6665 B12R1.113 C=C=Cc1ccc(cc1)B(O)O 271570a_100015277604_100000754493 [0,2,0,0,0,0|0,0,2]=4 6666 B12R1.113 C=C=Cc1ccc(cc1)C(C)O 271570a_100015277604_100000745893 [0,2,0,0,0,0|0,0,2]=4 6667 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 2230a_200000048501_200025704644 [0,2,0,0,0,0|1,0,1]=4 6668 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 34a_200000048501_200025704644 [0,2,0,0,0,0|1,0,1]=4 6669 B12R1.113 CC=Cc1ccc(cc1)B(O)O 271570a_100016259895_100000754493 [0,2,0,0,0,0|0,0,2]=4 6670 B12R1.113 CC=Cc1ccc(cc1)C(C)O 271570a_100016259895_100000745893 [0,2,0,0,0,0|0,0,2]=4 6671 B12R1.113 CNCc1ccc(cc1)B(O)O 2230a_106832991635_100009813762 [0,2,0,0,0,0|1,0,1]=4 6672 B12R1.113 CNCc1ccc(cc1)B(O)O 34a_100102657272_100009813762 [0,2,0,0,0,0|1,0,1]=4 6673 B12R1.113 CNCc1ccc(cc1)B(O)O 7a_106832991635_100009813762 [0,2,0,0,0,0|1,0,1]=4 6674 B12R1.113 CNCc1ccc(cc1)C(=O)O 269956a_100000181780_200000210301 [0,2,0,0,0,0|1,0,1]=4 6675 B12R1.113 CNCc1ccc(cc1)C(C)O 2230a_200000048501_200000210301 [0,2,0,0,0,0|1,0,1]=4 6676 B12R1.113 CNCc1ccc(cc1)C(C)O 26a_100102657272_100000754508 [0,2,0,0,0,0|1,0,1]=4 6677 B12R1.113 CNCc1ccc(cc1)C(C)O 34a_200000048501_200000210301 [0,2,0,0,0,0|1,0,1]=4 6678 B12R1.113 COCc1ccc(cc1)B(O)O 34a_100138415774_100009813762 [0,2,0,0,0,0|1,0,1]=4 6679 B12R1.113 CSCc1ccc(cc1)B(O)O 62a_100009813762_200000210301 [0,2,0,0,0,0|1,0,1]=4 6680 B12R1.113 CSCc1ccc(cc1)B(O)O 62a_200000210301_100009813762 [0,2,0,0,0,0|1,0,1]=4 6681 B12R1.113 [13CH3]NCc1ccc(cc1)C(=O)O 269956a_100000181780_200025704644 [0,2,0,0,0,0|1,0,1]=4 6682 B12R1.113 [13CH3]SCc1ccc(cc1)B(O)O 62a_100009813762_200025704644 [0,2,0,0,0,0|1,0,1]=4 6683 B12R1.113 [13CH3]SCc1ccc(cc1)B(O)O 62a_200025704644_100009813762 [0,2,0,0,0,0|1,0,1]=4 6684 B12R1.116 C=C=Cc1ccc(cc1)CC=O 271570a_100015277604_100011361690 [0,2,0,0,0,0|2,0,0]=4 6685 B12R1.116 C=C=Cc1ccc(cc1)CCO 271570a_100015277604_100000766406 [0,2,0,0,0,0|0,0,2]=4 6686 B12R1.116 C=C=Cc1ccc(cc1)COC 271570a_100015277604_100011493685 [0,2,0,0,0,0|0,0,2]=4 6687 B12R1.116 C=C=Cc1ccc(cc1)OCC 271570a_100015277604_100000169946 [0,2,0,0,0,0|0,0,2]=4 6688 B12R1.116 C=CCc1ccc(cc1)CNC 26a_100102657272_100000078792 [0,2,0,0,0,0|1,0,0]=3 6689 B12R1.116 C=CCc1ccc(cc1)OCC 34a_100000078792_100000210202 [0,2,0,0,0,0|0,0,0]=2 6690 B12R1.116 C=CCc1ccc(cc1)OCC 7a_100000078792_100000210202 [0,2,0,0,0,0|0,0,0]=2 6691 B12R1.116 C=CCc1ccc(cc1)OCF 34a_100000078792_100015361967 [0,2,0,0,0,0|0,0,0]=2 6692 B12R1.116 C=CCc1ccc(cc1)OCF 7a_100000078792_100015361967 [0,2,0,0,0,0|0,0,0]=2 6693 B12R1.116 C=COc1ccc(cc1)SCC 62a_100000210202_100000704263 [0,2,0,0,0,0|1,1,0]=4 6694 B12R1.116 C=COc1ccc(cc1)SCC 62a_100000704263_100000210202 [0,2,0,0,0,0|1,1,0]=4 6695 B12R1.116 C=COc1ccc(cc1)SCF 62a_100000704263_100015361967 [0,2,0,0,0,0|1,1,0]=4 6696 B12R1.116 C=COc1ccc(cc1)SCF 62a_100015361967_100000704263 [0,2,0,0,0,0|1,1,0]=4 6697 B12R1.116 CC=Cc1ccc(cc1)CC=O 271570a_100016259895_100011361690 [0,2,0,0,0,0|2,0,0]=4 6698 B12R1.116 CC=Cc1ccc(cc1)CCO 271570a_100016259895_100000766406 [0,2,0,0,0,0|0,0,2]=4 6699 B12R1.116 CC=Cc1ccc(cc1)COC 271570a_100016259895_100011493685 [0,2,0,0,0,0|0,0,2]=4 6700 B12R1.116 CC=Cc1ccc(cc1)OCC 271570a_100016259895_100000169946 [0,2,0,0,0,0|0,0,2]=4 6701 B12R1.116 CCCc1ccc(cc1)COC 34a_100138415774_100011982809 [0,2,0,0,0,0|0,0,2]=4 6702 B12R1.116 CCCc1ccc(cc1)OCC 34a_100000749406_100000210202 [0,2,0,0,0,0|0,0,2]=4 6703 B12R1.116 CCCc1ccc(cc1)OCC 7a_100000749406_100000210202 [0,2,0,0,0,0|0,0,2]=4 6704 B12R1.116 CCCc1ccc(cc1)OCF 34a_100000749406_100015361967 [0,2,0,0,0,0|0,0,2]=4 6705 B12R1.116 CCCc1ccc(cc1)OCF 7a_100000749406_100015361967 [0,2,0,0,0,0|0,0,2]=4 6706 B12R1.116 CCOc1ccc(cc1)CC#N 34a_100000198970_100000210202 [0,2,0,0,0,0|1,0,1]=4 6707 B12R1.116 CCOc1ccc(cc1)CC#N 7a_100000198970_100000210202 [0,2,0,0,0,0|1,0,1]=4 6708 B12R1.116 CCOc1ccc(cc1)CCBr 34a_100009816426_100000210202 [0,2,0,0,0,0|1,0,1]=4 6709 B12R1.116 CCOc1ccc(cc1)CCBr 7a_100009816426_100000210202 [0,2,0,0,0,0|1,0,1]=4 6710 B12R1.116 CCOc1ccc(cc1)CCN 34a_100000743037_100000210202 [0,2,0,0,0,0|1,0,1]=4 6711 B12R1.116 CCOc1ccc(cc1)CCO 34a_100011215338_100000210202 [0,2,0,0,0,0|1,0,1]=4 6712 B12R1.116 CCOc1ccc(cc1)CCO 7a_100011215338_100000210202 [0,2,0,0,0,0|1,0,1]=4 6713 B12R1.116 CCOc1ccc(cc1)CNC 207a_100102657272_100000169836 [0,2,0,0,0,0|1,0,1]=4 6714 B12R1.116 CCOc1ccc(cc1)CNC 2230a_100000185588_200000210301 [0,2,0,0,0,0|1,0,1]=4 6715 B12R1.116 CCOc1ccc(cc1)CNC 270004a_106832991635_100000169836 [0,2,0,0,0,0|1,0,1]=4 6716 B12R1.116 CCOc1ccc(cc1)CNC 34a_100000185588_200000210301 [0,2,0,0,0,0|1,0,1]=4 6717 B12R1.116 CCOc1ccc(cc1)CNC 34a_100000207500_100000210202 [0,2,0,0,0,0|1,0,1]=4 6718 B12R1.116 CCOc1ccc(cc1)CN[13CH3] 2230a_100000185588_200025704644 [0,2,0,0,0,0|1,0,1]=4 6719 B12R1.116 CCOc1ccc(cc1)CN[13CH3] 34a_100000185588_200025704644 [0,2,0,0,0,0|1,0,1]=4 6720 B12R1.116 CCOc1ccc(cc1)COC 34a_100000173027_200000210301 [0,2,0,0,0,0|1,0,1]=4 6721 B12R1.116 CCOc1ccc(cc1)COC 34a_200011995677_100000210202 [0,2,0,0,0,0|1,0,1]=4 6722 B12R1.116 CCOc1ccc(cc1)COC 7a_100000173027_200000210301 [0,2,0,0,0,0|1,0,1]=4 6723 B12R1.116 CCOc1ccc(cc1)COC 7a_200011995677_100000210202 [0,2,0,0,0,0|1,0,1]=4 6724 B12R1.116 CCOc1ccc(cc1)CO[13CH3] 34a_100000173027_200025704644 [0,2,0,0,0,0|1,0,1]=4 6725 B12R1.116 CCOc1ccc(cc1)CO[13CH3] 7a_100000173027_200025704644 [0,2,0,0,0,0|1,0,1]=4 6726 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100000210202_100011361690 [0,2,0,0,0,0|1,1,0]=4 6727 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100011361690_100000210202 [0,2,0,0,0,0|1,1,0]=4 6728 B12R1.116 CNCc1ccc(cc1)CCO 26a_100102657272_100011215338 [0,2,0,0,0,0|1,0,1]=4 6729 B12R1.116 CNCc1ccc(cc1)COC 2230a_100000738208_200000210301 [0,2,0,0,0,0|1,0,1]=4 6730 B12R1.116 CNCc1ccc(cc1)COC 26a_100102657272_200011995677 [0,2,0,0,0,0|1,0,1]=4 6731 B12R1.116 CNCc1ccc(cc1)COC 34a_100000738208_200000210301 [0,2,0,0,0,0|1,0,1]=4 6732 B12R1.116 CNCc1ccc(cc1)OCF 34a_100000207500_100015361967 [0,2,0,0,0,0|1,0,1]=4 6733 B12R1.116 COCc1ccc(cc1)CC#N 7a_100000695229_200000210301 [0,2,0,0,0,0|1,0,1]=4 6734 B12R1.116 COCc1ccc(cc1)CN[13CH3] 2230a_100000738208_200025704644 [0,2,0,0,0,0|1,0,1]=4 6735 B12R1.116 COCc1ccc(cc1)CN[13CH3] 34a_100000738208_200025704644 [0,2,0,0,0,0|1,0,1]=4 6736 B12R1.116 COCc1ccc(cc1)OCF 34a_200011995677_100015361967 [0,2,0,0,0,0|1,0,1]=4 6737 B12R1.116 COCc1ccc(cc1)OCF 7a_200011995677_100015361967 [0,2,0,0,0,0|1,0,1]=4 6738 B12R1.116 FCOc1ccc(cc1)CCBr 34a_100009816426_100015361967 [0,2,0,0,0,0|1,0,1]=4 6739 B12R1.116 FCOc1ccc(cc1)CCBr 7a_100009816426_100015361967 [0,2,0,0,0,0|1,0,1]=4 6740 B12R1.116 N#CCc1ccc(cc1)OCF 34a_100000198970_100015361967 [0,2,0,0,0,0|1,0,1]=4 6741 B12R1.116 N#CCc1ccc(cc1)OCF 7a_100000198970_100015361967 [0,2,0,0,0,0|1,0,1]=4 6742 B12R1.116 NCCc1ccc(cc1)OCF 34a_100000743037_100015361967 [0,2,0,0,0,0|1,0,1]=4 6743 B12R1.116 O=CCc1ccc(cc1)SCF 62a_100011361690_100015361967 [0,2,0,0,0,0|1,1,0]=4 6744 B12R1.116 O=CCc1ccc(cc1)SCF 62a_100015361967_100011361690 [0,2,0,0,0,0|1,1,0]=4 6745 B12R1.116 OCCc1ccc(cc1)OCF 34a_100011215338_100015361967 [0,2,0,0,0,0|1,0,1]=4 6746 B12R1.116 OCCc1ccc(cc1)OCF 7a_100011215338_100015361967 [0,2,0,0,0,0|1,0,1]=4 6747 B12R1.116 [13CH3]OCc1ccc(cc1)CC#N 7a_100000695229_200025704644 [0,2,0,0,0,0|1,0,1]=4 6748 B12R1.288 C=C=Cc1ccc(c(c1)Br)CO 271570a_100015277604_100010240206 [0,2,0,0,0,0|0,0,2]=4 6749 B12R1.288 C=C=Cc1ccc(c(c1)Br)OC 271570a_100015277604_100011249507 [0,2,0,0,0,0|0,0,2]=4 6750 B12R1.288 C=C=Cc1ccc(c(c1)C)CO 271570a_100015277604_100000748258 [0,2,0,0,0,0|0,0,2]=4 6751 B12R1.288 C=C=Cc1ccc(c(c1)C)OC 271570a_100015277604_100011219705 [0,2,0,0,0,0|0,0,2]=4 6752 B12R1.288 C=C=Cc1ccc(c(c1)Cl)OC 271570a_100015277604_100012355395 [0,2,0,0,0,0|0,0,2]=4 6753 B12R1.288 C=C=Cc1ccc(c(c1)F)CO 271570a_100015277604_100011191541 [0,2,0,0,0,0|0,0,2]=4 6754 B12R1.288 C=C=Cc1ccc(c(c1)F)OC 271570a_100015277604_100000185480 [0,2,0,0,0,0|0,0,2]=4 6755 B12R1.288 C=C=Cc1ccc(c(c1)N)CO 271570a_100015277604_100000718831 [0,2,0,0,0,0|0,0,2]=4 6756 B12R1.288 C=C=Cc1ccc(c(c1)N)OC 271570a_100015277604_100000743470 [0,2,0,0,0,0|0,0,2]=4 6757 B12R1.288 C=C=Cc1ccc(c(c1)O)CO 271570a_100015277604_100000071718 [0,2,0,0,0,0|0,0,2]=4 6758 B12R1.288 C=C=Cc1ccc(c(c1)O)OC 271570a_100015277604_100009816560 [0,2,0,0,0,0|0,0,2]=4 6759 B12R1.288 CC=Cc1ccc(c(c1)Br)CO 271570a_100016259895_100010240206 [0,2,0,0,0,0|0,0,2]=4 6760 B12R1.288 CC=Cc1ccc(c(c1)Br)OC 271570a_100016259895_100011249507 [0,2,0,0,0,0|0,0,2]=4 6761 B12R1.288 CC=Cc1ccc(c(c1)C)CO 271570a_100016259895_100000748258 [0,2,0,0,0,0|0,0,2]=4 6762 B12R1.288 CC=Cc1ccc(c(c1)C)OC 271570a_100016259895_100011219705 [0,2,0,0,0,0|0,0,2]=4 6763 B12R1.288 CC=Cc1ccc(c(c1)Cl)OC 271570a_100016259895_100012355395 [0,2,0,0,0,0|0,0,2]=4 6764 B12R1.288 CC=Cc1ccc(c(c1)F)CO 271570a_100016259895_100011191541 [0,2,0,0,0,0|0,0,2]=4 6765 B12R1.288 CC=Cc1ccc(c(c1)F)OC 271570a_100016259895_100000185480 [0,2,0,0,0,0|0,0,2]=4 6766 B12R1.288 CC=Cc1ccc(c(c1)N)CO 271570a_100016259895_100000718831 [0,2,0,0,0,0|0,0,2]=4 6767 B12R1.288 CC=Cc1ccc(c(c1)N)OC 271570a_100016259895_100000743470 [0,2,0,0,0,0|0,0,2]=4 6768 B12R1.288 CC=Cc1ccc(c(c1)O)CO 271570a_100016259895_100000071718 [0,2,0,0,0,0|0,0,2]=4 6769 B12R1.288 CC=Cc1ccc(c(c1)O)OC 271570a_100016259895_100009816560 [0,2,0,0,0,0|0,0,2]=4 6770 B12R1.288 CNCc1ccc(c(c1)Br)CO 26a_100102657272_100010146404 [0,2,0,0,0,0|1,0,1]=4 6771 B12R1.288 CNCc1ccc(c(c1)Br)OC 207a_100102657272_100000173361 [0,2,0,0,0,0|1,0,1]=4 6772 B12R1.288 CNCc1ccc(c(c1)Br)OC 2230a_106832991635_200011397701 [0,2,0,0,0,0|1,0,1]=4 6773 B12R1.288 CNCc1ccc(c(c1)Br)OC 26a_100102657272_100010234764 [0,2,0,0,0,0|1,0,1]=4 6774 B12R1.288 CNCc1ccc(c(c1)Br)OC 270004a_106832991635_100000173361 [0,2,0,0,0,0|1,0,1]=4 6775 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100102657272_200011397701 [0,2,0,0,0,0|1,0,1]=4 6776 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100159240714_200000210301 [0,2,0,0,0,0|1,0,1]=4 6777 B12R1.288 CNCc1ccc(c(c1)Br)OC 7a_106832991635_200011397701 [0,2,0,0,0,0|1,0,1]=4 6778 B12R1.288 CNCc1ccc(c(c1)C)OC 207a_100102657272_100000239718 [0,2,0,0,0,0|1,0,1]=4 6779 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_100102679029_200000210301 [0,2,0,0,0,0|1,0,1]=4 6780 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_106832991635_200011290836 [0,2,0,0,0,0|1,0,1]=4 6781 B12R1.288 CNCc1ccc(c(c1)C)OC 270004a_106832991635_100000239718 [0,2,0,0,0,0|1,0,1]=4 6782 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102657272_200011290836 [0,2,0,0,0,0|1,0,1]=4 6783 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102679029_200000210301 [0,2,0,0,0,0|1,0,1]=4 6784 B12R1.288 CNCc1ccc(c(c1)C)OC 7a_106832991635_200011290836 [0,2,0,0,0,0|1,0,1]=4 6785 B12R1.288 CNCc1ccc(c(c1)Cl)CO 26a_100102657272_200000075811 [0,2,0,0,0,0|1,0,1]=4 6786 B12R1.288 CNCc1ccc(c(c1)Cl)OC 207a_100102657272_100000186747 [0,2,0,0,0,0|1,0,1]=4 6787 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_100000008799_200000210301 [0,2,0,0,0,0|1,0,1]=4 6788 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_106832991635_100000693707 [0,2,0,0,0,0|1,0,1]=4 6789 B12R1.288 CNCc1ccc(c(c1)Cl)OC 26a_100102657272_200009861682 [0,2,0,0,0,0|1,0,1]=4 6790 B12R1.288 CNCc1ccc(c(c1)Cl)OC 270004a_106832991635_100000186747 [0,2,0,0,0,0|1,0,1]=4 6791 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100000008799_200000210301 [0,2,0,0,0,0|1,0,1]=4 6792 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100102657272_100000693707 [0,2,0,0,0,0|1,0,1]=4 6793 B12R1.288 CNCc1ccc(c(c1)Cl)OC 7a_106832991635_100000693707 [0,2,0,0,0,0|1,0,1]=4 6794 B12R1.288 CNCc1ccc(c(c1)F)OC 207a_100102657272_100000204617 [0,2,0,0,0,0|1,0,1]=4 6795 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_100000737316_200000210301 [0,2,0,0,0,0|1,0,1]=4 6796 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_106832991635_100000189595 [0,2,0,0,0,0|1,0,1]=4 6797 B12R1.288 CNCc1ccc(c(c1)F)OC 270004a_106832991635_100000204617 [0,2,0,0,0,0|1,0,1]=4 6798 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100000737316_200000210301 [0,2,0,0,0,0|1,0,1]=4 6799 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100102657272_100000189595 [0,2,0,0,0,0|1,0,1]=4 6800 B12R1.288 CNCc1ccc(c(c1)F)OC 7a_106832991635_100000189595 [0,2,0,0,0,0|1,0,1]=4 6801 B12R1.288 CNCc1ccc(c(c1)I)OC 207a_100102657272_100009827998 [0,2,0,0,0,0|1,0,1]=4 6802 B12R1.288 CNCc1ccc(c(c1)I)OC 270004a_106832991635_100009827998 [0,2,0,0,0,0|1,0,1]=4 6803 B12R1.288 CNCc1ccc(c(c1)O)OC 34a_100000740000_200000210301 [0,2,0,0,0,0|1,0,1]=4 6804 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100000246451_200000210301 [0,2,0,0,0,0|1,0,1]=4 6805 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100138415774_200011397701 [0,2,0,0,0,0|1,0,1]=4 6806 B12R1.288 COCc1ccc(c(c1)Br)OC 7a_100000246451_200000210301 [0,2,0,0,0,0|1,0,1]=4 6807 B12R1.288 COCc1ccc(c(c1)C)OC 34a_100138415774_200011290836 [0,2,0,0,0,0|1,0,1]=4 6808 B12R1.288 COCc1ccc(c(c1)C)OC 34a_200011290855_200000210301 [0,2,0,0,0,0|1,0,1]=4 6809 B12R1.288 COCc1ccc(c(c1)C)OC 7a_200011290855_200000210301 [0,2,0,0,0,0|1,0,1]=4 6810 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100000694469_200000210301 [0,2,0,0,0,0|1,0,1]=4 6811 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100138415774_100000693707 [0,2,0,0,0,0|1,0,1]=4 6812 B12R1.288 COCc1ccc(c(c1)Cl)OC 7a_100000694469_200000210301 [0,2,0,0,0,0|1,0,1]=4 6813 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100000246395_200000210301 [0,2,0,0,0,0|1,0,1]=4 6814 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100138415774_100000189595 [0,2,0,0,0,0|1,0,1]=4 6815 B12R1.288 COCc1ccc(c(c1)F)OC 7a_100000246395_200000210301 [0,2,0,0,0,0|1,0,1]=4 6816 B12R1.288 COCc1ccc(c(c1)I)OC 34a_200000013966_200000210301 [0,2,0,0,0,0|1,0,1]=4 6817 B12R1.288 COCc1ccc(c(c1)I)OC 7a_200000013966_200000210301 [0,2,0,0,0,0|1,0,1]=4 6818 B12R1.288 COCc1ccc(c(c1)N)OC 34a_100011269841_200000210301 [0,2,0,0,0,0|1,0,1]=4 6819 B12R1.288 COc1ccc(cc1Br)CN[13CH3] 34a_100159240714_200025704644 [0,2,0,0,0,0|1,0,1]=4 6820 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 34a_100000246451_200025704644 [0,2,0,0,0,0|1,0,1]=4 6821 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 7a_100000246451_200025704644 [0,2,0,0,0,0|1,0,1]=4 6822 B12R1.288 COc1ccc(cc1Br)CSC 62a_200000210301_200011397701 [0,2,0,0,0,0|1,0,1]=4 6823 B12R1.288 COc1ccc(cc1Br)CSC 62a_200011397701_200000210301 [0,2,0,0,0,0|1,0,1]=4 6824 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200011397701_200025704644 [0,2,0,0,0,0|1,0,1]=4 6825 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200025704644_200011397701 [0,2,0,0,0,0|1,0,1]=4 6826 B12R1.288 COc1ccc(cc1C)CN[13CH3] 2230a_100102679029_200025704644 [0,2,0,0,0,0|1,0,1]=4 6827 B12R1.288 COc1ccc(cc1C)CN[13CH3] 34a_100102679029_200025704644 [0,2,0,0,0,0|1,0,1]=4 6828 B12R1.288 COc1ccc(cc1C)CO[13CH3] 34a_200011290855_200025704644 [0,2,0,0,0,0|1,0,1]=4 6829 B12R1.288 COc1ccc(cc1C)CO[13CH3] 7a_200011290855_200025704644 [0,2,0,0,0,0|1,0,1]=4 6830 B12R1.288 COc1ccc(cc1C)CSC 62a_200000210301_200011290836 [0,2,0,0,0,0|1,0,1]=4 6831 B12R1.288 COc1ccc(cc1C)CSC 62a_200011290836_200000210301 [0,2,0,0,0,0|1,0,1]=4 6832 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200011290836_200025704644 [0,2,0,0,0,0|1,0,1]=4 6833 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200025704644_200011290836 [0,2,0,0,0,0|1,0,1]=4 6834 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 2230a_100000008799_200025704644 [0,2,0,0,0,0|1,0,1]=4 6835 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 34a_100000008799_200025704644 [0,2,0,0,0,0|1,0,1]=4 6836 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 34a_100000694469_200025704644 [0,2,0,0,0,0|1,0,1]=4 6837 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 7a_100000694469_200025704644 [0,2,0,0,0,0|1,0,1]=4 6838 B12R1.288 COc1ccc(cc1Cl)CSC 62a_100000693707_200000210301 [0,2,0,0,0,0|1,0,1]=4 6839 B12R1.288 COc1ccc(cc1Cl)CSC 62a_200000210301_100000693707 [0,2,0,0,0,0|1,0,1]=4 6840 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_100000693707_200025704644 [0,2,0,0,0,0|1,0,1]=4 6841 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_200025704644_100000693707 [0,2,0,0,0,0|1,0,1]=4 6842 B12R1.288 COc1ccc(cc1F)CN[13CH3] 2230a_100000737316_200025704644 [0,2,0,0,0,0|1,0,1]=4 6843 B12R1.288 COc1ccc(cc1F)CN[13CH3] 34a_100000737316_200025704644 [0,2,0,0,0,0|1,0,1]=4 6844 B12R1.288 COc1ccc(cc1F)CO[13CH3] 34a_100000246395_200025704644 [0,2,0,0,0,0|1,0,1]=4 6845 B12R1.288 COc1ccc(cc1F)CO[13CH3] 7a_100000246395_200025704644 [0,2,0,0,0,0|1,0,1]=4 6846 B12R1.288 COc1ccc(cc1F)CSC 62a_100000189595_200000210301 [0,2,0,0,0,0|1,0,1]=4 6847 B12R1.288 COc1ccc(cc1F)CSC 62a_200000210301_100000189595 [0,2,0,0,0,0|1,0,1]=4 6848 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_100000189595_200025704644 [0,2,0,0,0,0|1,0,1]=4 6849 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_200025704644_100000189595 [0,2,0,0,0,0|1,0,1]=4 6850 B12R1.288 COc1ccc(cc1I)CO[13CH3] 34a_200000013966_200025704644 [0,2,0,0,0,0|1,0,1]=4 6851 B12R1.288 COc1ccc(cc1I)CO[13CH3] 7a_200000013966_200025704644 [0,2,0,0,0,0|1,0,1]=4 6852 B12R1.288 COc1ccc(cc1N)CO[13CH3] 34a_100011269841_200025704644 [0,2,0,0,0,0|1,0,1]=4 6853 B12R1.288 COc1ccc(cc1O)CC#N 271570a_203496583355_100011215974 [0,2,0,0,0,0|1,0,1]=4 6854 B12R1.288 COc1ccc(cc1O)CCN 271570a_203496583355_103549771065 [0,2,0,0,0,0|1,0,1]=4 6855 B12R1.288 COc1ccc(cc1O)CCO 271570a_203496583355_100011962876 [0,2,0,0,0,0|1,0,1]=4 6856 B12R1.288 COc1ccc(cc1O)CN[13CH3] 34a_100000740000_200025704644 [0,2,0,0,0,0|1,0,1]=4 6857 B12R1.44 C=C=Cc1cc(c(c(c1)Br)O)C 271570a_100015277604_100010982682 [0,2,0,0,0,0|0,0,2]=4 6858 B12R1.44 C=C=Cc1cc(c(c(c1)C)O)C 271570a_100015277604_100000187306 [0,2,0,0,0,0|0,0,2]=4 6859 B12R1.44 C=C=Cc1cc(c(c(c1)Cl)O)C 271570a_100015277604_200015900153 [0,2,0,0,0,0|0,0,2]=4 6860 B12R1.44 C=C=Cc1cc(c(c(c1)Cl)O)Cl 271570a_100015277604_100012339652 [0,2,0,0,0,0|0,0,2]=4 6861 B12R1.44 C=C=Cc1cc(c(c(c1)F)O)F 271570a_100015277604_100011216917 [0,2,0,0,0,0|0,0,2]=4 6862 B12R1.44 C=C=Cc1cc(c(c(c1)F)O)N 271570a_100015277604_100011217383 [0,2,0,0,0,0|0,0,2]=4 6863 B12R1.44 C=C=Cc1cc(c(c(c1)N)O)C 271570a_100015277604_100011825904 [0,2,0,0,0,0|0,0,2]=4 6864 B12R1.44 CC=Cc1cc(c(c(c1)Br)O)C 271570a_100016259895_100010982682 [0,2,0,0,0,0|0,0,2]=4 6865 B12R1.44 CC=Cc1cc(c(c(c1)C)O)C 271570a_100016259895_100000187306 [0,2,0,0,0,0|0,0,2]=4 6866 B12R1.44 CC=Cc1cc(c(c(c1)Cl)O)C 271570a_100016259895_200015900153 [0,2,0,0,0,0|0,0,2]=4 6867 B12R1.44 CC=Cc1cc(c(c(c1)Cl)O)Cl 271570a_100016259895_100012339652 [0,2,0,0,0,0|0,0,2]=4 6868 B12R1.44 CC=Cc1cc(c(c(c1)F)O)F 271570a_100016259895_100011216917 [0,2,0,0,0,0|0,0,2]=4 6869 B12R1.44 CC=Cc1cc(c(c(c1)F)O)N 271570a_100016259895_100011217383 [0,2,0,0,0,0|0,0,2]=4 6870 B12R1.44 CC=Cc1cc(c(c(c1)N)O)C 271570a_100016259895_100011825904 [0,2,0,0,0,0|0,0,2]=4 6871 B12R1.286 C=C=Cc1ccc(c(c1)C#N)O 271570a_100015277604_100000687585 [0,2,0,0,0,0|0,0,2]=4 6872 B12R1.286 C=C=Cc1ccc(c(c1)C=O)O 271570a_100015277604_100000186750 [0,2,0,0,0,0|0,0,2]=4 6873 B12R1.286 C=C=Cc1ccc(c(c1)CC)O 271570a_100015277604_100012338938 [0,2,0,0,0,0|0,0,2]=4 6874 B12R1.286 C=C=Cc1ccc(c(c1)CN)O 271570a_100015277604_100000730032 [0,2,0,0,0,0|0,0,2]=4 6875 B12R1.286 C=C=Cc1ccc(c(c1)CO)O 271570a_100015277604_100000184703 [0,2,0,0,0,0|0,0,2]=4 6876 B12R1.286 C=C=Cc1ccc(c(c1)OC)O 271570a_100015277604_100000694246 [0,2,0,0,0,0|0,0,2]=4 6877 B12R1.286 CC=Cc1ccc(c(c1)C#N)O 271570a_100016259895_100000687585 [0,2,0,0,0,0|0,0,2]=4 6878 B12R1.286 CC=Cc1ccc(c(c1)C=O)O 271570a_100016259895_100000186750 [0,2,0,0,0,0|0,0,2]=4 6879 B12R1.286 CC=Cc1ccc(c(c1)CC)O 271570a_100016259895_100012338938 [0,2,0,0,0,0|0,0,2]=4 6880 B12R1.286 CC=Cc1ccc(c(c1)CN)O 271570a_100016259895_100000730032 [0,2,0,0,0,0|0,0,2]=4 6881 B12R1.286 CC=Cc1ccc(c(c1)CO)O 271570a_100016259895_100000184703 [0,2,0,0,0,0|0,0,2]=4 6882 B12R1.286 CC=Cc1ccc(c(c1)OC)O 271570a_100016259895_100000694246 [0,2,0,0,0,0|0,0,2]=4 6883 B12R1.286 CNCc1ccc(c(c1)C=O)O 7a_106832991635_100000008128 [0,2,0,0,0,0|1,0,1]=4 6884 B12R1.286 CNCc1ccc(c(c1)OC)O 34a_100000185554_200000210301 [0,2,0,0,0,0|1,0,1]=4 6885 B12R1.286 COc1cc(ccc1O)CC#N 271570a_203496583355_100010176002 [0,2,0,0,0,0|1,0,1]=4 6886 B12R1.286 COc1cc(ccc1O)CN[13CH3] 34a_100000185554_200025704644 [0,2,0,0,0,0|1,0,1]=4 6887 B12R1.286 CSCc1ccc(c(c1)C=O)O 62a_200000210301_100000008128 [0,2,0,0,0,0|1,0,1]=4 6888 B12R1.286 [13CH3]SCc1ccc(c(c1)C=O)O 62a_200025704644_100000008128 [0,2,0,0,0,0|1,0,1]=4 6889 B10R1.172 C=Cc1cc(ccn1)C=O 271570a_100011290941_100011290808 [0,0,1,1,0,0|1,0,1]=4 6890 B10R1.172 C=Cc1cc(ccn1)CO 271570a_100011290941_100009814636 [0,0,1,1,0,0|1,0,1]=4 6891 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [0,0,1,1,0,0|0,0,2]=4 6892 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [0,0,1,1,0,0|0,0,2]=4 6893 B10R1.2 C=Cc1cccc(c1Br)O 271570a_100011290941_100010187914 [0,0,1,1,0,0|1,0,1]=4 6894 B10R1.2 C=Cc1cccc(c1C)O 271570a_100011290941_100012002258 [0,0,1,1,0,0|0,0,2]=4 6895 B10R1.2 C=Cc1cccc(c1Cl)O 271570a_100011290941_100000049636 [0,0,1,1,0,0|1,0,1]=4 6896 B10R1.2 C=Cc1cccc(c1F)O 271570a_100011290941_100009817021 [0,0,1,1,0,0|1,0,1]=4 6897 B10R1.2 C=Cc1cccc(c1N)O 271570a_100011290941_100011934926 [0,0,1,1,0,0|1,0,1]=4 6898 B10R1.2 C=Cc1cccc(c1O)O 271570a_100011290941_100009815950 [0,0,1,1,0,0|1,0,1]=4 6899 B10R1.30 C=Cc1cc(ccc1Br)O 271570a_100011290941_100012339312 [0,0,1,1,0,0|1,0,1]=4 6900 B10R1.30 C=Cc1cc(ccc1C)O 271570a_100011290941_100011380479 [0,0,1,1,0,0|0,0,2]=4 6901 B10R1.30 C=Cc1cc(ccc1Cl)O 271570a_100011290941_100000049588 [0,0,1,1,0,0|1,0,1]=4 6902 B10R1.30 C=Cc1cc(ccc1F)O 271570a_100011290941_100000693481 [0,0,1,1,0,0|1,0,1]=4 6903 B10R1.30 C=Cc1cc(ccc1N)O 271570a_100011290941_100012001276 [0,0,1,1,0,0|1,0,1]=4 6904 B10R1.30 C=Cc1cc(ccc1O)O 271570a_100011290941_100009813629 [0,0,1,1,0,0|1,0,1]=4 6905 B10R2.31 Oc1ccc2c(c1)CC2 271570a_203496583355_100009818592 [1,0,0,1,0,0|0,0,1]=3 6906 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [1,0,0,1,0,0|0,0,2]=4 6907 B10R2.2 Oc1cc2sccc2s1 271570a_203496583355_200010191111 [0,0,0,1,1,0|2,0,0]=4 6908 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [0,1,0,1,0,0|1,0,1]=4 6909 B12R2.24 Oc1cc2nccnc2cn1 271570a_203496583355_100010370699 [0,1,0,1,0,0|2,0,0]=4 6910 B12R2.24 Oc1ccc2c(c1)CCCC2 271570a_203496583355_100011221367 [0,1,0,1,0,0|0,0,2]=4 6911 B12R2.24 Oc1ccc2c(c1)CCCN2 271570a_203496583355_100016994925 [0,1,0,1,0,0|0,0,2]=4 6912 B12R2.24 Oc1ccc2c(c1)CCCO2 271570a_203496583355_100011393166 [0,1,0,1,0,0|0,0,2]=4 6913 B12R2.24 Oc1ccc2c(c1)CCNC2 271570a_203496583355_100000686056 [0,1,0,1,0,0|0,0,2]=4 6914 B12R2.24 Oc1ccc2c(c1)CNCC2 271570a_203496583355_100015189961 [0,1,0,1,0,0|0,0,2]=4 6915 B12R2.24 Oc1ccc2c(c1)COCC2 271570a_203496583355_100010128096 [0,1,0,1,0,0|0,0,2]=4 6916 B12R2.24 Oc1ccc2c(c1)NCCC2 271570a_203496583355_100010196366 [0,1,0,1,0,0|0,0,2]=4 6917 B12R2.24 Oc1ccc2c(c1)NCCO2 271570a_203496583355_100000708519 [0,1,0,1,0,0|1,0,1]=4 6918 B12R2.24 Oc1ccc2c(c1)NCCS2 271570a_203496583355_100013243616 [0,1,0,1,0,0|1,0,1]=4 6919 B12R2.24 Oc1ccc2c(c1)OCCC2 271570a_203496583355_100010700467 [0,1,0,1,0,0|0,0,2]=4 6920 B12R2.24 Oc1ccc2c(c1)OCCN2 271570a_203496583355_100012355470 [0,1,0,1,0,0|1,0,1]=4 6921 B12R2.24 Oc1ccc2c(c1)OCCO2 271570a_203496583355_100000184379 [0,1,0,1,0,0|1,0,1]=4 6922 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [0,1,0,1,0,0|0,0,1]=3 6923 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [0,1,0,1,0,0|1,0,1]=4 6924 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [0,1,0,1,0,0|0,0,1]=3 6925 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [0,1,0,1,0,0|1,0,1]=4 6926 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [0,1,0,1,0,0|0,0,1]=3 6927 B12R2.24 Oc1ccc2ccncc2n1 271570a_203496583355_100000020162 [0,1,0,1,0,0|1,0,1]=4 6928 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [0,1,0,1,0,0|0,0,1]=3 6929 B12R2.24 Oc1ccc2cncnc2c1 271570a_203496583355_100010185614 [0,1,0,1,0,0|1,0,1]=4 6930 B12R2.24 Oc1ccc2cnncc2c1 271570a_203496583355_100010198781 [0,1,0,1,0,0|1,0,1]=4 6931 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [0,1,0,1,0,0|0,0,1]=3 6932 B12R2.24 Oc1ccc2ncccc2n1 271570a_203496583355_100000073381 [0,1,0,1,0,0|1,0,1]=4 6933 B12R2.24 Oc1ccc2nccnc2c1 271570a_203496583355_100011219451 [0,1,0,1,0,0|1,0,0]=3 6934 B12R2.24 Oc1ccc2nccnc2n1 271570a_203496583355_100012351543 [0,1,0,1,0,0|2,0,0]=4 6935 B12R2.24 Oc1ccc2ncncc2c1 271570a_203496583355_100009989443 [0,1,0,1,0,0|1,0,0]=3 6936 B12R2.24 Oc1ccc2nnccc2c1 271570a_203496583355_100010209549 [0,1,0,1,0,0|1,0,0]=3 6937 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [0,1,0,1,0,0|1,0,1]=4 6938 B12R2.24 Oc1cnc2cccnc2c1 271570a_203496583355_100010246316 [0,1,0,1,0,0|1,0,1]=4 6939 B12R2.24 Oc1cnc2nccnc2c1 271570a_203496583355_100000753224 [0,1,0,1,0,0|2,0,0]=4 6940 B12R2.79 NC1CC1c2ccc(cc2)O 271570a_203496583355_100000755575 [0,1,0,1,0,0|0,0,2]=4 6941 B12R2.132 Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009816687 [0,1,0,1,0,0|1,0,0]=3 6942 B12R2.132 Cc1c[nH]c2c1cc(cn2)O 271570a_203496583355_100010202333 [0,1,0,1,0,0|2,0,0]=4 6943 B12R2.132 Cc1cnc2n1cc(cc2)O 271570a_203496583355_100012353388 [0,1,0,1,0,0|2,0,0]=4 6944 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [0,1,0,1,0,0|1,0,0]=3 6945 B12R2.132 Cc1csc2c1cc(cc2)O 271570a_203496583355_100009814196 [0,1,0,1,0,0|1,0,0]=3 6946 B12R2.132 Cc1n[nH]c2c1cc(cc2)O 271570a_203496583355_100102524909 [0,1,0,1,0,0|1,0,1]=4 6947 B12R2.132 Cc1noc2c1cc(cc2)O 271570a_203496583355_100010196875 [0,1,0,1,0,0|1,0,1]=4 6948 B12R2.132 Cn1ccc2c1cc(cc2)O 271570a_203496583355_100011934912 [0,1,0,1,0,0|0,0,2]=4 6949 B12R2.132 Cn1cnc2c1cc(cc2)O 271570a_203496583355_100000702186 [0,1,0,1,0,0|1,0,1]=4 6950 B12R2.132 NC1CCc2c1cc(cc2)O 271570a_203496583355_100011435097 [0,1,0,1,0,0|0,0,2]=4 6951 B12R2.132 Nc1c[nH]c2c1cc(cn2)O 271570a_203496583355_100010174843 [0,1,0,1,0,0|2,0,0]=4 6952 B12R2.132 Nc1ccc2scc(c2c1)O 271570a_203496583355_100011178648 [0,1,0,1,0,0|2,0,0]=4 6953 B12R2.132 Nc1n[nH]c2c1cc(cc2)O 271570a_203496583355_100011934329 [0,1,0,1,0,0|2,0,0]=4 6954 B12R2.132 Nc1noc2c1cc(cc2)O 271570a_203496583355_100012356444 [0,1,0,1,0,0|2,0,0]=4 6955 B12R2.132 Nc1nsc2c1cc(cc2)O 271570a_203496583355_100010244976 [0,1,0,1,0,0|2,0,0]=4 6956 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,1,0,1,0,0|0,0,1]=3 6957 B12R2.132 O=C1CCc2c1cc(cn2)O 271570a_203496583355_100010174022 [0,1,0,1,0,0|1,0,1]=4 6958 B12R2.132 O=C1CCc2c1nc(cc2)O 271570a_203496583355_100000701527 [0,1,0,1,0,0|1,0,1]=4 6959 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,1,0,1,0,0|1,0,0]=3 6960 B12R2.132 O=C1NCc2c1cc(cc2)O 271570a_203496583355_100010171230 [0,1,0,1,0,0|1,0,0]=3 6961 B12R2.132 O=C1OCc2c1cc(cc2)O 271570a_203496583355_100000693025 [0,1,0,1,0,0|1,0,0]=3 6962 B12R2.132 O=c1[nH][nH]c2c1cc(cc2)O 271570a_203496583355_100012353726 [0,1,0,1,0,0|2,0,0]=4 6963 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [0,1,0,1,0,0|2,0,0]=4 6964 B12R2.132 Oc1ccc2[nH]nc(c2c1)Br 271570a_203496583355_200012353728 [0,1,0,1,0,0|2,0,0]=4 6965 B12R2.132 Oc1ccc2c(c1)C(CC2)O 271570a_203496583355_100011836024 [0,1,0,1,0,0|0,0,2]=4 6966 B12R2.132 Oc1ccc2ncc(n2c1)Br 271570a_203496583355_100010184845 [0,1,0,1,0,0|2,0,0]=4 6967 B12R2.132 Oc1ccc2ncc(n2c1)F 271570a_203496583355_100025711191 [0,1,0,1,0,0|2,0,0]=4 6968 B12R2.294 Oc1ccc(cc1)NC2CC2 34a_100000185829_100000211595 [0,1,0,1,0,0|0,0,2]=4 6969 B12R2.294 Oc1ccc(cc1)OC2CC2 271570a_203496583355_100000704264 [0,1,0,1,0,0|0,0,2]=4 6970 B12R2.2302 Oc1ccc(cc1)C2CCC2 271570a_203496583355_200010114027 [0,1,0,1,0,0|0,0,2]=4 6971 B12R2.2302 Oc1ccc(cc1)C2COC2 271570a_203496583355_100010732642 [0,1,0,1,0,0|0,0,2]=4 6972 B12R2.606 CN1Cc2ccc(cc2C1)O 2230a_100015195982_200000210301 [0,1,0,1,0,0|1,0,1]=4 6973 B12R2.606 CN1Cc2ccc(cc2C1)O 269982a_100015195982_200000210301 [0,1,0,1,0,0|1,0,1]=4 6974 B12R2.606 CN1Cc2ccc(cc2C1)O 34a_100015195982_200000210301 [0,1,0,1,0,0|1,0,1]=4 6975 B12R2.606 Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100011214893 [0,1,0,1,0,0|1,0,0]=3 6976 B12R2.606 Cc1cc2cc(ccc2s1)O 271570a_203496583355_100000695401 [0,1,0,1,0,0|1,0,0]=3 6977 B12R2.606 Cc1cc2cc(cnc2[nH]1)O 271570a_203496583355_100010202332 [0,1,0,1,0,0|2,0,0]=4 6978 B12R2.606 Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010196937 [0,1,0,1,0,0|0,0,2]=4 6979 B12R2.606 Cc1cn2cc(ccc2n1)O 271570a_203496583355_100000194050 [0,1,0,1,0,0|2,0,0]=4 6980 B12R2.606 Cc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100011264012 [0,1,0,1,0,0|1,0,1]=4 6981 B12R2.606 Cc1nc2cc(ccc2o1)O 271570a_203496583355_100009816932 [0,1,0,1,0,0|1,0,1]=4 6982 B12R2.606 Cc1nc2cc(ccc2s1)O 271570a_203496583355_100009813953 [0,1,0,1,0,0|1,0,1]=4 6983 B12R2.606 Cc1nc2ccc(cc2o1)O 271570a_203496583355_100010171164 [0,1,0,1,0,0|1,0,1]=4 6984 B12R2.606 Cc1nc2ccc(cc2s1)O 271570a_203496583355_100009813144 [0,1,0,1,0,0|1,0,1]=4 6985 B12R2.606 Cn1cc2cc(ccc2n1)O 271570a_203496583355_100009817163 [0,1,0,1,0,0|2,0,0]=4 6986 B12R2.606 NC1Cc2ccc(cc2C1)O 271570a_203496583355_100015193702 [0,1,0,1,0,0|0,0,2]=4 6987 B12R2.606 Nc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100000764686 [0,1,0,1,0,0|2,0,0]=4 6988 B12R2.606 Nc1nc2cc(ccc2o1)O 271570a_203496583355_100000737949 [0,1,0,1,0,0|2,0,0]=4 6989 B12R2.606 Nc1nc2cc(ccc2s1)O 271570a_203496583355_100011934045 [0,1,0,1,0,0|2,0,0]=4 6990 B12R2.606 Nc1nc2ccc(cc2o1)O 271570a_203496583355_100010000678 [0,1,0,1,0,0|2,0,0]=4 6991 B12R2.606 Nc1nc2ccc(cc2s1)O 271570a_203496583355_100102524914 [0,1,0,1,0,0|2,0,0]=4 6992 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [0,1,0,1,0,0|1,0,1]=4 6993 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [0,1,0,1,0,0|0,0,1]=3 6994 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [0,1,0,1,0,0|1,0,0]=3 6995 B12R2.606 O=C1Cc2ccc(nc2N1)O 271570a_203496583355_100000104062 [0,1,0,1,0,0|2,0,0]=4 6996 B12R2.606 O=C1Cc2cnc(cc2N1)O 271570a_203496583355_100000089690 [0,1,0,1,0,0|2,0,0]=4 6997 B12R2.606 O=C1Cc2ncc(cc2N1)O 271570a_203496583355_100010168558 [0,1,0,1,0,0|2,0,0]=4 6998 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [0,1,0,1,0,0|2,0,0]=4 6999 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [0,1,0,1,0,0|2,0,0]=4 7000 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [0,1,0,1,0,0|2,0,0]=4 7001 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [0,1,0,1,0,0|2,0,0]=4 7002 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [0,1,0,1,0,0|2,0,0]=4 7003 B12R2.606 Oc1cc2cc(ccc2[nH]1)Br 271570a_203496583355_100011012855 [0,1,0,1,0,0|2,0,0]=4 7004 B12R2.606 Oc1cc2cc(ccc2s1)Br 271570a_203496583355_200010198765 [0,1,0,1,0,0|2,0,0]=4 7005 B12R2.606 Oc1ccc2c(c1)CC(C2)O 271570a_203496583355_100010161096 [0,1,0,1,0,0|0,0,2]=4 7006 B12R2.606 Oc1ccc2nc(sc2c1)Cl 271570a_203496583355_100010163703 [0,1,0,1,0,0|2,0,0]=4 7007 B12R2.606 Oc1ccc2nc(sc2c1)O 271570a_203496583355_100010063415 [0,1,0,1,0,0|2,0,0]=4 7008 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)O 2230a_100015195982_200025704644 [0,1,0,1,0,0|1,0,1]=4 7009 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)O 269982a_100015195982_200025704644 [0,1,0,1,0,0|1,0,1]=4 7010 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)O 34a_100015195982_200025704644 [0,1,0,1,0,0|1,0,1]=4 7011 B12R2.290 NC1(CC1)c2ccc(cc2)O 271570a_203496583355_100000742681 [0,1,0,1,0,0|0,0,2]=4 7012 B12R2.612 Cc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100010209589 [0,1,0,1,0,0|1,0,1]=4 7013 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [0,1,0,1,0,0|1,0,1]=4 7014 B12R2.612 Cn1ccc2c1ccc(c2)O 271570a_203496583355_100011202928 [0,1,0,1,0,0|1,0,0]=3 7015 B12R2.612 Cn1ccc2c1ncc(c2)O 271570a_203496583355_100010191616 [0,1,0,1,0,0|2,0,0]=4 7016 B12R2.612 Cn1cnc2c1ccc(c2)O 271570a_203496583355_100000718706 [0,1,0,1,0,0|2,0,0]=4 7017 B12R2.612 Cn1ncc2c1ccc(c2)O 271570a_203496583355_100009817176 [0,1,0,1,0,0|2,0,0]=4 7018 B12R2.612 NC1CCc2c1ccc(c2)O 271570a_203496583355_100000744021 [0,1,0,1,0,0|0,0,2]=4 7019 B12R2.612 NC1COc2c1ccc(c2)O 271570a_203496583355_100020628175 [0,1,0,1,0,0|1,0,1]=4 7020 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [0,1,0,1,0,0|0,0,1]=3 7021 B12R2.612 Oc1ccc2c(c1)CCC2O 271570a_203496583355_100000747877 [0,1,0,1,0,0|0,0,2]=4 7022 B12R2.246 Cc1cc(c2occc2c1)O 271570a_203496583355_100012361857 [0,1,0,1,0,0|2,0,0]=4 7023 B12R2.246 Cc1cc(cc2c1[nH]cc2)O 271570a_203496583355_100009817142 [0,1,0,1,0,0|1,0,0]=3 7024 B12R2.246 Cc1cc(cc2c1[nH]nc2)O 271570a_203496583355_100009812868 [0,1,0,1,0,0|2,0,0]=4 7025 B12R2.246 Cc1cc(cc2c1nc[nH]2)O 271570a_203496583355_100000239325 [0,1,0,1,0,0|2,0,0]=4 7026 B12R2.246 Cc1cc(cc2c1occ2)O 271570a_203496583355_100012361858 [0,1,0,1,0,0|1,0,0]=3 7027 B12R2.246 Cc1cc(cn2c1ncc2)O 271570a_203496583355_100000701042 [0,1,0,1,0,0|2,0,0]=4 7028 B12R2.246 Nc1cc(cc2c1[nH]cc2)O 271570a_203496583355_100009813507 [0,1,0,1,0,0|1,0,0]=3 7029 B12R2.246 Nc1cc(cc2c1[nH]nc2)O 271570a_203496583355_100010171008 [0,1,0,1,0,0|2,0,0]=4 7030 B12R2.246 Nc1cc(cc2c1cc[nH]2)O 271570a_203496583355_106744500199 [0,1,0,1,0,0|1,0,1]=4 7031 B12R2.246 Nc1cc(cn2c1ncc2)O 271570a_203496583355_100009816852 [0,1,0,1,0,0|2,0,0]=4 7032 B12R2.246 Oc1cc(c2[nH]ccc2c1)F 271570a_203496583355_100010138380 [0,1,0,1,0,0|1,0,0]=3 7033 B12R2.246 Oc1cc(c2[nH]ncc2c1)Cl 271570a_203496583355_200010212562 [0,1,0,1,0,0|2,0,0]=4 7034 B12R2.246 Oc1cc(c2[nH]ncc2c1)F 271570a_203496583355_100010143415 [0,1,0,1,0,0|2,0,0]=4 7035 B12R2.246 Oc1cc(c2[nH]ncc2c1)O 271570a_203496583355_100015619115 [0,1,0,1,0,0|2,0,0]=4 7036 B12R2.246 Oc1cc(c2cc[nH]c2c1)Br 271570a_203496583355_100009814775 [0,1,0,1,0,0|1,0,1]=4 7037 B12R2.246 Oc1cc(c2cc[nH]c2c1)F 271570a_203496583355_100010186028 [0,1,0,1,0,0|1,0,1]=4 7038 B12R2.246 Oc1cc(c2nccn2c1)F 271570a_203496583355_100010174814 [0,1,0,1,0,0|2,0,0]=4 7039 B12R2.246 Oc1cc(c2nccn2c1)O 271570a_203496583355_100010074634 [0,1,0,1,0,0|2,0,0]=4 7040 B12R2.246 Oc1cc(c2occc2c1)F 271570a_203496583355_100012355474 [0,1,0,1,0,0|1,0,0]=3 7041 B12R2.246 Oc1cc(c2occc2c1)O 271570a_203496583355_200010248604 [0,1,0,1,0,0|1,0,0]=3 7042 B12R2.246 Oc1cc(cc2c1[nH]cc2)F 271570a_203496583355_100010138379 [0,1,0,1,0,0|2,0,0]=4 7043 B12R2.246 Oc1cc(cc2c1occ2)F 271570a_203496583355_100011935139 [0,1,0,1,0,0|2,0,0]=4 7044 B12R2.1317 Cc1cc(ccc1C2CC2)O 271570a_100011220607_100000729255 [0,1,0,1,0,0|0,0,2]=4 7045 B12R2.1317 Nc1cc(ccc1C2CC2)O 271570a_100011220607_100011999798 [0,1,0,1,0,0|0,0,2]=4 7046 B12R2.1317 Oc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100000701344 [0,1,0,1,0,0|0,0,2]=4 7047 B12R2.1317 Oc1ccc(c(c1)Cl)C2CC2 271570a_100011220607_100000047559 [0,1,0,1,0,0|0,0,2]=4 7048 B12R2.1317 Oc1ccc(c(c1)F)C2CC2 271570a_100011220607_100000755031 [0,1,0,1,0,0|0,0,2]=4 7049 B12R2.1317 Oc1ccc(c(c1)O)C2CC2 271570a_100011220607_100009813921 [0,1,0,1,0,0|0,0,2]=4 7050 B12R2.9 COc1ccc(cc1)C2CC2 271570a_100011220607_100000171711 [0,1,0,1,0,0|0,0,2]=4 7051 B12R2.9 COc1ccc(cc1)C2CC2 34a_100011997980_200000210301 [0,1,0,1,0,0|0,0,2]=4 7052 B12R2.9 COc1ccc(cc1)C2CC2 7a_100011997980_200000210301 [0,1,0,1,0,0|0,0,2]=4 7053 B12R2.9 OCc1ccc(cc1)C2CC2 271570a_100011220607_100000690907 [0,1,0,1,0,0|0,0,2]=4 7054 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 34a_100011997980_200025704644 [0,1,0,1,0,0|0,0,2]=4 7055 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 7a_100011997980_200025704644 [0,1,0,1,0,0|0,0,2]=4 7056 B12R2.44 C=Cc1ccc2[nH]ccc2c1 271570a_100011290941_100000211741 [0,1,0,1,0,0|2,0,0]=4 7057 B12R2.44 C=Cc1ccc2c(c1)C=CC2 271570a_100011290941_100009814306 [0,1,0,1,0,0|1,0,0]=3 7058 B12R2.44 C=Cc1ccc2occc2c1 271570a_100011290941_100012343831 [0,1,0,1,0,0|2,0,0]=4 7059 B12R2.44 C=Cc1ccc2sccc2c1 271570a_100011290941_100009814439 [0,1,0,1,0,0|2,0,0]=4 7060 B12R2.44 CNc1ccc2occc2c1 34a_106430523501_200000210301 [0,1,0,1,0,0|2,0,0]=4 7061 B12R2.44 CNc1ccc2sccc2c1 34a_100000681076_200000210301 [0,1,0,1,0,0|2,0,0]=4 7062 B12R2.44 COc1ccc2[nH]ccc2c1 34a_100000756620_200000210301 [0,1,0,1,0,0|1,0,0]=3 7063 B12R2.44 COc1ccc2c(c1)CCC2 34a_100000209987_200000210301 [0,1,0,1,0,0|0,0,2]=4 7064 B12R2.44 COc1ccc2c(c1)CCC2 7a_100000209987_200000210301 [0,1,0,1,0,0|0,0,2]=4 7065 B12R2.44 COc1ccc2c(c1)CNC2 34a_100015195982_200000210301 [0,1,0,1,0,0|1,0,1]=4 7066 B12R2.44 COc1ccc2c(c1)NCC2 34a_100020636427_200000210301 [0,1,0,1,0,0|1,0,1]=4 7067 B12R2.44 COc1ccc2cc[nH]c2c1 34a_100000036713_200000210301 [0,1,0,1,0,0|1,0,1]=4 7068 B12R2.44 COc1ccc2ccoc2c1 34a_100000089557_200000210301 [0,1,0,1,0,0|1,0,1]=4 7069 B12R2.44 COc1ccc2ccoc2c1 7a_100000089557_200000210301 [0,1,0,1,0,0|1,0,1]=4 7070 B12R2.44 COc1ccc2ncsc2c1 34a_100011995850_200000210301 [0,1,0,1,0,0|2,0,0]=4 7071 B12R2.44 COc1ccc2ncsc2c1 7a_100011995850_200000210301 [0,1,0,1,0,0|2,0,0]=4 7072 B12R2.44 COc1ccc2occc2c1 34a_100000070125_200000210301 [0,1,0,1,0,0|1,0,0]=3 7073 B12R2.44 COc1ccc2occc2c1 7a_100000070125_200000210301 [0,1,0,1,0,0|1,0,0]=3 7074 B12R2.44 COc1ccc2sccc2c1 34a_100012180905_200000210301 [0,1,0,1,0,0|1,0,0]=3 7075 B12R2.44 COc1ccc2sccc2c1 7a_100012180905_200000210301 [0,1,0,1,0,0|1,0,0]=3 7076 B12R2.44 COc1ccc2scnc2c1 34a_200009850626_200000210301 [0,1,0,1,0,0|2,0,0]=4 7077 B12R2.44 COc1ccc2scnc2c1 7a_200009850626_200000210301 [0,1,0,1,0,0|2,0,0]=4 7078 B12R2.44 COc1cnc2[nH]ccc2c1 34a_100000087691_200000210301 [0,1,0,1,0,0|2,0,0]=4 7079 B12R2.44 CSc1ccc2[nH]ccc2c1 62a_200000210301_100000035808 [0,1,0,1,0,0|1,1,0]=4 7080 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_100009814306_200000210301 [0,1,0,1,0,0|0,1,0]=3 7081 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_200000210301_100009814306 [0,1,0,1,0,0|0,1,0]=3 7082 B12R2.44 CSc1ccc2occc2c1 62a_200000210301_100000691453 [0,1,0,1,0,0|1,1,0]=4 7083 B12R2.44 CSc1ccc2sccc2c1 62a_200000210301_100009814439 [0,1,0,1,0,0|1,1,0]=4 7084 B12R2.44 [13CH3]Nc1ccc2occc2c1 34a_106430523501_200025704644 [0,1,0,1,0,0|2,0,0]=4 7085 B12R2.44 [13CH3]Nc1ccc2sccc2c1 34a_100000681076_200025704644 [0,1,0,1,0,0|2,0,0]=4 7086 B12R2.44 [13CH3]Oc1ccc2[nH]ccc2c1 34a_100000756620_200025704644 [0,1,0,1,0,0|1,0,0]=3 7087 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 34a_100000209987_200025704644 [0,1,0,1,0,0|0,0,2]=4 7088 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 7a_100000209987_200025704644 [0,1,0,1,0,0|0,0,2]=4 7089 B12R2.44 [13CH3]Oc1ccc2c(c1)CNC2 34a_100015195982_200025704644 [0,1,0,1,0,0|1,0,1]=4 7090 B12R2.44 [13CH3]Oc1ccc2c(c1)NCC2 34a_100020636427_200025704644 [0,1,0,1,0,0|1,0,1]=4 7091 B12R2.44 [13CH3]Oc1ccc2cc[nH]c2c1 34a_100000036713_200025704644 [0,1,0,1,0,0|1,0,1]=4 7092 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 34a_100000089557_200025704644 [0,1,0,1,0,0|1,0,1]=4 7093 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 7a_100000089557_200025704644 [0,1,0,1,0,0|1,0,1]=4 7094 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 34a_100011995850_200025704644 [0,1,0,1,0,0|2,0,0]=4 7095 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 7a_100011995850_200025704644 [0,1,0,1,0,0|2,0,0]=4 7096 B12R2.44 [13CH3]Oc1ccc2occc2c1 34a_100000070125_200025704644 [0,1,0,1,0,0|1,0,0]=3 7097 B12R2.44 [13CH3]Oc1ccc2occc2c1 7a_100000070125_200025704644 [0,1,0,1,0,0|1,0,0]=3 7098 B12R2.44 [13CH3]Oc1ccc2sccc2c1 34a_100012180905_200025704644 [0,1,0,1,0,0|1,0,0]=3 7099 B12R2.44 [13CH3]Oc1ccc2sccc2c1 7a_100012180905_200025704644 [0,1,0,1,0,0|1,0,0]=3 7100 B12R2.44 [13CH3]Oc1ccc2scnc2c1 34a_200009850626_200025704644 [0,1,0,1,0,0|2,0,0]=4 7101 B12R2.44 [13CH3]Oc1ccc2scnc2c1 7a_200009850626_200025704644 [0,1,0,1,0,0|2,0,0]=4 7102 B12R2.44 [13CH3]Oc1cnc2[nH]ccc2c1 34a_100000087691_200025704644 [0,1,0,1,0,0|2,0,0]=4 7103 B12R2.44 [13CH3]Sc1ccc2[nH]ccc2c1 62a_200025704644_100000035808 [0,1,0,1,0,0|1,1,0]=4 7104 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_100009814306_200025704644 [0,1,0,1,0,0|0,1,0]=3 7105 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_200025704644_100009814306 [0,1,0,1,0,0|0,1,0]=3 7106 B12R2.44 [13CH3]Sc1ccc2occc2c1 62a_200025704644_100000691453 [0,1,0,1,0,0|1,1,0]=4 7107 B12R2.44 [13CH3]Sc1ccc2sccc2c1 62a_200025704644_100009814439 [0,1,0,1,0,0|1,1,0]=4 7108 B12R2.82 Cc1c(ccc2c1[nH]cc2)O 271570a_203496583355_100009816929 [0,1,0,1,0,0|1,0,1]=4 7109 B12R2.82 Cc1c(ccc2c1cc[nH]2)O 271570a_203496583355_100010731972 [0,1,0,1,0,0|1,0,0]=3 7110 B12R2.82 Cc1c(ccc2c1cn[nH]2)O 271570a_203496583355_100009817094 [0,1,0,1,0,0|2,0,0]=4 7111 B12R2.82 Cc1c(ccc2c1nc[nH]2)O 271570a_203496583355_100010009745 [0,1,0,1,0,0|2,0,0]=4 7112 B12R2.82 Cc1c(ccc2n1ccn2)O 271570a_203496583355_100012569086 [0,1,0,1,0,0|2,0,0]=4 7113 B12R2.82 Cc1c(cnc2c1cc[nH]2)O 271570a_203496583355_100010254266 [0,1,0,1,0,0|2,0,0]=4 7114 B12R2.82 Cc1ccc2[nH]ccc2c1O 271570a_203496583355_100010248896 [0,1,0,1,0,0|2,0,0]=4 7115 B12R2.82 Nc1c(ccc2c1CCC2)O 271570a_203496583355_202495424074 [0,1,0,1,0,0|0,0,2]=4 7116 B12R2.82 Nc1c(ccc2c1cn[nH]2)O 271570a_203496583355_100020965837 [0,1,0,1,0,0|2,0,0]=4 7117 B12R2.82 Nc1c(ccc2c1scn2)O 271570a_203496583355_100010998030 [0,1,0,1,0,0|2,0,0]=4 7118 B12R2.82 Nc1c(cnc2c1cc[nH]2)O 271570a_203496583355_100010168494 [0,1,0,1,0,0|2,0,0]=4 7119 B12R2.82 Oc1c(ccc2c1cc[nH]2)F 271570a_203496583355_100102525403 [0,1,0,1,0,0|2,0,0]=4 7120 B12R2.82 Oc1ccc2[nH]ccc2c1F 271570a_203496583355_100000700836 [0,1,0,1,0,0|1,0,0]=3 7121 B12R2.82 Oc1ccc2[nH]ncc2c1F 271570a_203496583355_100010232219 [0,1,0,1,0,0|2,0,0]=4 7122 B12R2.82 Oc1ccc2c(c1O)CCC2 271570a_203496583355_100010662108 [0,1,0,1,0,0|0,0,2]=4 7123 B12R2.82 Oc1cnc2[nH]ccc2c1Cl 271570a_203496583355_100010219237 [0,1,0,1,0,0|2,0,0]=4 7124 B12R2.82 Oc1cnc2[nH]ccc2c1F 271570a_203496583355_100011012301 [0,1,0,1,0,0|2,0,0]=4 7125 B12R2.100 Cc1cc2[nH]ccc2cc1O 271570a_203496583355_100010199648 [0,1,0,1,0,0|1,0,0]=3 7126 B12R2.100 Cc1cc2[nH]ncc2cc1O 271570a_203496583355_100009816927 [0,1,0,1,0,0|2,0,0]=4 7127 B12R2.100 Cc1cc2cc[nH]c2cc1O 271570a_203496583355_100010199660 [0,1,0,1,0,0|1,0,1]=4 7128 B12R2.100 Cc1cc2ccsc2cc1O 271570a_203496583355_100010762285 [0,1,0,1,0,0|1,0,1]=4 7129 B12R2.100 Cc1cc2nc[nH]c2cc1O 271570a_203496583355_200010107306 [0,1,0,1,0,0|2,0,0]=4 7130 B12R2.100 Cc1cc2nccn2cc1O 271570a_203496583355_100020606757 [0,1,0,1,0,0|2,0,0]=4 7131 B12R2.100 Cc1nc2[nH]ccc2cc1O 271570a_203496583355_100010212563 [0,1,0,1,0,0|2,0,0]=4 7132 B12R2.100 Nc1cc2[nH]ccc2cc1O 271570a_203496583355_100010212544 [0,1,0,1,0,0|1,0,0]=3 7133 B12R2.100 Nc1cc2[nH]cnc2cc1O 271570a_203496583355_200010336578 [0,1,0,1,0,0|2,0,0]=4 7134 B12R2.100 Nc1nc2[nH]ccc2cc1O 271570a_203496583355_100010168486 [0,1,0,1,0,0|2,0,0]=4 7135 B12R2.100 Oc1cc2[nH]ccc2cc1Br 271570a_203496583355_100000703010 [0,1,0,1,0,0|1,0,1]=4 7136 B12R2.100 Oc1cc2[nH]ccc2cc1F 271570a_203496583355_100009817181 [0,1,0,1,0,0|1,0,1]=4 7137 B12R2.100 Oc1cc2c(cc1O)CCC2 271570a_203496583355_200010659162 [0,1,0,1,0,0|0,0,2]=4 7138 B12R2.100 Oc1cc2cc[nH]c2cc1F 271570a_203496583355_100000731065 [0,1,0,1,0,0|1,0,0]=3 7139 B12R2.100 Oc1cc2cc[nH]c2nc1F 271570a_203496583355_100010202306 [0,1,0,1,0,0|2,0,0]=4 7140 B12R2.100 Oc1cc2cn[nH]c2cc1Cl 271570a_203496583355_100102525311 [0,1,0,1,0,0|2,0,0]=4 7141 B12R2.100 Oc1cc2cn[nH]c2cc1F 271570a_203496583355_100010143413 [0,1,0,1,0,0|2,0,0]=4 7142 B12R2.100 Oc1cc2cn[nH]c2cc1O 271570a_203496583355_100010079831 [0,1,0,1,0,0|2,0,0]=4 7143 B12R2.100 Oc1cc2cn[nH]c2cc1O 271570a_203496583355_100010080172 [0,1,0,1,0,0|2,0,0]=4 7144 B12R2.100 Oc1cc2nc[nH]c2cc1F 271570a_203496583355_100012361300 [0,1,0,1,0,0|2,0,0]=4 7145 B12R2.291 Cc1cc(ccc1O)C2CC2 271570a_100011220607_100000186361 [0,1,0,1,0,0|0,0,2]=4 7146 B12R2.291 Nc1cc(ccc1O)C2CC2 271570a_100011220607_100000752626 [0,1,0,1,0,0|0,0,2]=4 7147 B12R2.291 Oc1ccc(cc1Br)C2CC2 271570a_100011220607_100012361655 [0,1,0,1,0,0|0,0,2]=4 7148 B12R2.291 Oc1ccc(cc1Cl)C2CC2 271570a_100011220607_100012360047 [0,1,0,1,0,0|0,0,2]=4 7149 B12R2.291 Oc1ccc(cc1F)C2CC2 271570a_100011220607_100000185481 [0,1,0,1,0,0|0,0,2]=4 7150 B12R2.291 Oc1ccc(cc1F)C2CC2 271570a_203496583355_100010281179 [0,1,0,1,0,0|0,0,2]=4 7151 B12R2.291 Oc1ccc(cc1O)C2CC2 271570a_100011220607_100009813601 [0,1,0,1,0,0|0,0,2]=4 7152 B12R2.291 Oc1ccc(cc1O)C2CC2 271570a_203496583355_100135415898 [0,1,0,1,0,0|0,0,2]=4 7153 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [1,0,0,0,1,0|2,0,0]=4 7154 B8R1.1 C=Cc1ccc(s1)Br 271570a_100011290941_100010197418 [1,0,0,0,1,0|2,0,0]=4 7155 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [1,0,0,0,1,0|2,0,0]=4 7156 B8R1.1 C=Cc1csc(c1)C 271570a_100011290941_100000759034 [1,0,0,0,1,0|2,0,0]=4 7157 B8R1.1 C=Cn1cc(cn1)O 271570a_203496583355_100009816630 [1,0,0,0,1,0|2,0,0]=4 7158 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [1,0,0,0,1,0|1,0,1]=4 7159 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [1,0,0,0,1,0|1,0,1]=4 7160 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [1,0,0,0,1,0|2,0,0]=4 7161 B8R1.1 NCc1ccc(s1)O 271570a_203496583355_100000737305 [1,0,0,0,1,0|2,0,0]=4 7162 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [1,0,0,0,1,0|2,0,0]=4 7163 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [1,0,0,0,1,0|2,0,0]=4 7164 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [1,0,0,0,1,0|2,0,0]=4 7165 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [1,0,0,0,1,0|2,0,0]=4 7166 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [1,0,0,0,1,0|2,0,0]=4 7167 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [1,0,0,0,1,0|2,0,0]=4 7168 B8R1.1 OCc1cc(cs1)O 271570a_203496583355_100000238369 [1,0,0,0,1,0|2,0,0]=4 7169 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [1,0,0,0,1,0|2,0,0]=4 7170 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [1,0,0,0,1,0|2,0,0]=4