0 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.20 CC(=Cc1ccc(cn1)O)C 271570a_100102525489_100000685995 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,0,0,0,0,0|1,0,0]=1 18 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,0,0,0,0,0|1,0,0]=1 19 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.20 CC(=O)Cc1ccc(nn1)Cl 1458a_100000070787_100016992710 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.20 CC(=O)Cc1cnc(cn1)C 1458a_100000070787_100000752025 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.20 CC(=O)Cc1ncc(cn1)Br 1458a_100000070787_100010064664 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.20 CC(=O)Cc1ncc(cn1)C 1458a_100000070787_100000685645 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [0,0,0,0,0,0|2,0,1]=3 38 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,0,0,0,0,0|3,0,0]=3 55 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,0,0,0,0,0|3,0,0]=3 58 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,0,0,0,0,0|2,0,0]=2 59 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,0,0,0,0,0|2,0,0]=2 60 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [0,0,0,0,0,0|3,0,0]=3 61 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [0,0,0,0,0,0|3,0,0]=3 62 B11R1.20 CC(=O)Nc1ccc(nn1)O 271570a_203496583355_100011804224 [0,0,0,0,0,0|4,0,0]=4 63 B11R1.20 CC(=O)Nc1ncc(cn1)O 271570a_203496583355_100010141023 [0,0,0,0,0,0|4,0,0]=4 64 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,0,0,0,0,0|2,0,0]=2 65 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,0,0,0,0,0|2,0,0]=2 66 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [0,0,0,0,0,0|2,1,0]=3 67 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [0,0,0,0,0,0|2,0,1]=3 68 B11R1.20 CC(C)Nc1ccc(cc1)O 271570a_203496583355_100000219625 [0,0,0,0,0,0|3,0,1]=4 69 B11R1.20 CC(C)Nc1ccc(cc1)O 34a_100000185829_100000210206 [0,0,0,0,0,0|3,0,1]=4 70 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [0,0,0,0,0,0|3,0,1]=4 71 B11R1.20 CC(C)Sc1ccc(cc1)O 271570a_203496583355_100009811894 [0,0,0,0,0,0|3,0,1]=4 72 B11R1.20 CC(C)Sc1ccc(cc1)O 62a_100000210206_100000185759 [0,0,0,0,0,0|3,0,1]=4 73 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100000180866_200000210301 [0,0,0,0,0,0|4,0,0]=4 74 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100102631434_100011217064 [0,0,0,0,0,0|4,0,0]=4 75 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100000180866_200000210301 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100102631434_100011217064 [0,0,0,0,0,0|4,0,0]=4 77 B11R1.20 CN(C)Cc1ccc(cc1)Br 270004a_100102631434_100000186029 [0,0,0,0,0,0|4,0,0]=4 78 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_200000210301 [0,0,0,0,0,0|4,0,0]=4 79 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100102631434_100000694040 [0,0,0,0,0,0|4,0,0]=4 80 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_200000210301 [0,0,0,0,0,0|4,0,0]=4 81 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100102631434_100000187161 [0,0,0,0,0,0|4,0,0]=4 82 B11R1.20 CN(C)Cc1ccc(cc1)Cl 270004a_100102631434_100000189385 [0,0,0,0,0,0|4,0,0]=4 83 B11R1.20 CN(C)Cc1ccc(cc1)Cl 34a_100000184517_200000210301 [0,0,0,0,0,0|4,0,0]=4 84 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100000184576_200000210301 [0,0,0,0,0,0|4,0,0]=4 85 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100102631434_100000198546 [0,0,0,0,0,0|4,0,0]=4 86 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100000184576_200000210301 [0,0,0,0,0,0|4,0,0]=4 87 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100102631434_100000198546 [0,0,0,0,0,0|4,0,0]=4 88 B11R1.20 CN(C)Cc1ccc(cc1)F 270004a_100102631434_100000210084 [0,0,0,0,0,0|4,0,0]=4 89 B11R1.20 CN(C)Cc1ccc(cc1)F 34a_100000184576_200000210301 [0,0,0,0,0,0|4,0,0]=4 90 B11R1.20 CN(C)Cc1ccc(cc1)I 2230a_100102631434_100000189116 [0,0,0,0,0,0|4,0,0]=4 91 B11R1.20 CN(C)Cc1ccc(cc1)I 269982a_100102631434_100000189116 [0,0,0,0,0,0|4,0,0]=4 92 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [0,0,0,0,0,0|3,0,0]=3 93 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [0,0,0,0,0,0|3,0,0]=3 94 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [0,0,0,0,0,0|3,0,0]=3 95 B11R1.20 CN(C)Cc1ccc(nc1)O 271570a_203496583355_106446545466 [0,0,0,0,0,0|4,0,0]=4 96 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 2230a_100000180866_200025704644 [0,0,0,0,0,0|4,0,0]=4 97 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 269982a_100000180866_200025704644 [0,0,0,0,0,0|4,0,0]=4 98 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 2230a_100000184517_200025704644 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 269982a_100000184517_200025704644 [0,0,0,0,0,0|4,0,0]=4 100 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 34a_100000184517_200025704644 [0,0,0,0,0,0|4,0,0]=4 101 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 2230a_100000184576_200025704644 [0,0,0,0,0,0|4,0,0]=4 102 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 269982a_100000184576_200025704644 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 34a_100000184576_200025704644 [0,0,0,0,0,0|4,0,0]=4 104 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,0,0,0,0,0|2,0,0]=2 107 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100000744650_200000210301 [0,0,0,0,0,0|4,0,0]=4 108 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000210814 [0,0,0,0,0,0|4,0,0]=4 109 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100000744650_200000210301 [0,0,0,0,0,0|4,0,0]=4 110 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000210814 [0,0,0,0,0,0|4,0,0]=4 111 B11R1.20 Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000211033 [0,0,0,0,0,0|4,0,0]=4 112 B11R1.20 Cc1ccc(cc1)CN(C)C 34a_100000744650_200000210301 [0,0,0,0,0,0|4,0,0]=4 113 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 2230a_100000744650_200025704644 [0,0,0,0,0,0|4,0,0]=4 114 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 269982a_100000744650_200025704644 [0,0,0,0,0,0|4,0,0]=4 115 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 34a_100000744650_200025704644 [0,0,0,0,0,0|4,0,0]=4 116 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [0,0,0,0,0,0|3,0,0]=3 117 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [0,0,0,0,0,0|3,0,0]=3 118 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,0,0,0,0,0|1,0,0]=1 119 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [0,0,0,0,0,0|2,0,0]=2 120 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [0,0,0,0,0,0|2,0,0]=2 121 B11R1.20 NC(=O)Cc1ccc(nn1)O 271570a_203496583355_100015841783 [0,0,0,0,0,0|3,0,0]=3 122 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,0,0,0,0,0|2,0,0]=2 123 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [0,0,0,0,0,0|2,0,1]=3 124 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [0,0,0,0,0,0|2,0,1]=3 125 B11R1.20 Oc1ccc(cc1)OC(F)F 271570a_203496583355_100000179047 [0,0,0,0,0,0|3,0,1]=4 126 B11R1.20 Oc1ccc(cc1)SC(F)F 271570a_203496583355_100000178776 [0,0,0,0,0,0|3,0,1]=4 127 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,0,0,0,0,0|2,0,0]=2 128 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,0,0,0,0,0|2,0,0]=2 129 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,0,0,0,0,0|2,0,0]=2 130 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,0,0,0,0,0|2,0,0]=2 131 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,0,0,0,0,0|1,0,0]=1 132 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [0,0,0,0,0,0|3,0,0]=3 133 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [0,0,0,0,0,0|3,0,0]=3 134 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [0,0,0,0,0,0|3,0,0]=3 135 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [0,0,0,0,0,0|3,0,0]=3 136 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [0,0,0,0,0,0|2,0,1]=3 137 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,0,0,0,0,0|1,0,1]=3 138 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [1,0,0,0,0,0|1,0,2]=4 139 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,0,0,0,0,0|2,0,1]=4 141 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,0,0,0,0,0|2,0,1]=4 142 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,0,0,0,0,0|2,0,1]=4 144 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,0,0,0,0,0|1,0,1]=3 145 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [1,0,0,0,0,0|2,0,1]=4 146 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,0,0,0,0,0|1,0,1]=3 147 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [1,0,0,0,0,0|2,0,1]=4 148 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [1,0,0,0,0,0|2,0,1]=4 149 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [1,0,0,0,0,0|2,0,1]=4 150 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [1,0,0,0,0,0|2,0,1]=4 151 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [1,0,0,0,0,0|2,0,1]=4 152 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,0,0,0,0,0|3,0,0]=4 156 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,0,0,0,0,0|3,0,0]=4 173 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,0,0,0,0,0|3,0,0]=4 176 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,0,0,0,0,0|3,0,0]=4 177 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,0,0,0,0,0|3,0,0]=4 179 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,0,0,0,0,0|2,0,0]=3 189 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,0,0,0,0,0|2,0,0]=3 190 B10R1.1 CNCc1ccc(nc1)O 207a_100102657272_100011361521 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.1 CNCc1ccc(nc1)O 2230a_100000757128_200000210301 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.1 CNCc1ccc(nc1)O 271570a_203496583355_100000026953 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,0,0,0,0,0|3,0,0]=4 194 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,0,0,0,0,0|2,0,0]=3 209 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,0,0,0,0,0|3,0,0]=4 211 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,0,0,0,0,0|3,0,0]=4 212 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,0,0,0,0,0|3,0,0]=4 213 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,0,0,0,0,0|3,0,0]=4 218 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.1 CSCc1ccc(nc1)O 271570a_203496583355_100000753673 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [1,0,0,0,0,0|1,0,1]=3 227 B10R1.1 N#CCc1ccc(cn1)O 271570a_203496583355_100011824422 [1,0,0,0,0,0|2,0,1]=4 228 B10R1.1 N#CCc1ccc(nc1)O 271570a_203496583355_100000703598 [1,0,0,0,0,0|2,0,1]=4 229 B10R1.1 N#CNc1ccc(cc1)O 271570a_203496583355_100011685341 [1,0,0,0,0,0|2,0,1]=4 230 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,0,0,0,0,0|1,0,1]=3 231 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,0,0,0,0,0|2,0,0]=3 232 B10R1.1 NNCc1ccc(nc1)O 271570a_203496583355_106726394036 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,0,0,0,0,0|0,0,0]=1 234 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,0,0,0,0,0|0,0,1]=2 235 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [1,0,0,0,0,0|1,0,1]=3 236 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [1,0,0,0,0,0|1,0,1]=3 237 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,0,0,0,0,0|1,0,1]=3 238 B10R1.1 Oc1ccc(cc1)NCF 34a_100000185829_100015361967 [1,0,0,0,0,0|2,0,1]=4 239 B10R1.1 Oc1ccc(cc1)SCF 62a_100015361967_100000185759 [1,0,0,0,0,0|2,0,1]=4 240 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,0,0,0,0,0|2,0,0]=3 249 B10R1.1 [13CH3]NCc1ccc(nc1)O 2230a_100000757128_200025704644 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,0,0,0,0,0|3,0,0]=4 255 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,0,0,0,0,0|3,0,0]=4 256 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,0,0,0,0,0|3,0,0]=4 258 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,0,0,0,0,0|3,0,0]=4 259 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,0,0,0,0,0|3,0,0]=4 261 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,0,0,0,0,0|3,0,0]=4 262 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,0,0,0,0,0|3,0,0]=4 263 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,0,0,0,0,0|3,0,0]=4 265 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,0,0,0,0,0|3,0,0]=4 266 B10R1.1 [N-]=[N+]=Nc1ccc(cc1)O 271570a_203496583355_100000735661 [1,0,0,0,0,0|3,0,0]=4 267 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,0,0,0,0,0|2,0,1]=4 268 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,0,0,0,0,0|2,0,0]=3 269 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,0,0|1,0,0]=2 270 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,0,0,0,0,0|2,0,0]=3 271 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,0,0,0,0,0|2,0,0]=3 272 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,0,0,0,0,0|2,0,0]=3 273 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,0,0,0,0,0|2,0,0]=3 274 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [1,0,0,0,0,0|3,0,0]=4 275 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,0,0,0,0,0|2,0,0]=3 276 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [1,0,0,0,0,0|3,0,0]=4 277 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [1,0,0,0,0,0|3,0,0]=4 278 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [1,0,0,0,0,0|3,0,0]=4 279 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [1,0,0,0,0,0|3,0,0]=4 280 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,0,0|2,0,0]=3 281 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,0,0|2,0,0]=3 282 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,0,0|2,0,0]=3 283 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,0,0|2,0,0]=3 284 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,0,0,0,0,0|3,0,0]=4 285 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,0,0,0,0,0|3,0,0]=4 286 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,0,0,0,0,0|3,0,0]=4 288 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,0,0,0,0,0|3,0,0]=4 289 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,0,0,0,0,0|3,0,0]=4 290 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,0,0,0,0,0|3,0,0]=4 291 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,0,0,0,0,0|2,0,0]=3 292 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,0,0,0,0,0|2,0,0]=3 293 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,0,0,0,0,0|2,0,0]=3 294 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [1,0,0,0,0,0|3,0,0]=4 295 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000140223 [0,1,0,0,0,0|2,0,0]=3 296 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_200009884166_200000210301 [0,1,0,0,0,0|2,0,0]=3 297 B12R1.4 C#Cc1ccc(cc1)CC(=O)[13CH3] 1458a_200009884166_200025704644 [0,1,0,0,0,0|2,0,0]=3 298 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 11a_100011215031_100015343762 [0,1,0,0,0,0|3,0,0]=4 299 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 1626a_100011215031_100015343762 [0,1,0,0,0,0|3,0,0]=4 300 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 22a_100011215031_100000070787 [0,1,0,0,0,0|3,0,0]=4 301 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 527a_100011215031_100103153847 [0,1,0,0,0,0|3,0,0]=4 302 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000034074 [0,1,0,0,0,0|2,0,0]=3 303 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 271570a_100011290941_100000691760 [0,1,0,0,0,0|2,0,0]=3 304 B12R1.4 C=Cc1ccc(cc1)CC(=O)N 271570a_100011290941_100000162331 [0,1,0,0,0,0|2,0,0]=3 305 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 11a_100011218248_100015343762 [0,1,0,0,0,0|3,0,0]=4 306 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 1626a_100011218248_100015343762 [0,1,0,0,0,0|3,0,0]=4 307 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 22a_100011218248_100000070787 [0,1,0,0,0,0|3,0,0]=4 308 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 271570a_100011290941_100000155215 [0,1,0,0,0,0|3,0,0]=4 309 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 527a_100011218248_100103153847 [0,1,0,0,0,0|3,0,0]=4 310 B12R1.4 C=Cc1ccc(cc1)NC(=O)N 271570a_100011290941_100000198584 [0,1,0,0,0,0|3,0,0]=4 311 B12R1.4 C=Cc1ccc(cc1)OC(=O)C 271570a_100011290941_100000002173 [0,1,0,0,0,0|3,0,0]=4 312 B12R1.4 C=Cc1ccc(cc1)SC(=O)C 271570a_100011290941_200009995050 [0,1,0,0,0,0|3,0,0]=4 313 B12R1.4 C=Cc1ccc(cn1)CC(=O)N 271570a_100011290941_200000071513 [0,1,0,0,0,0|3,0,0]=4 314 B12R1.4 C=Cc1ccc(nc1)CC(=O)N 271570a_100011290941_200010888337 [0,1,0,0,0,0|3,0,0]=4 315 B12R1.4 CC(=Cc1ccc(cc1)CO)C 271570a_100102525489_100000690907 [0,1,0,0,0,0|2,0,1]=4 316 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000070787_100000184898 [0,1,0,0,0,0|2,0,0]=3 317 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200000210301 [0,1,0,0,0,0|2,0,0]=3 318 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [0,1,0,0,0,0|1,0,1]=3 319 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [0,1,0,0,0,0|1,0,0]=2 320 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [0,1,0,0,0,0|1,0,0]=2 321 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [0,1,0,0,0,0|1,0,0]=2 322 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [0,1,0,0,0,0|1,0,0]=2 323 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000691760_200025704644 [0,1,0,0,0,0|1,1,0]=3 324 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000691760 [0,1,0,0,0,0|1,1,0]=3 325 B12R1.4 CC(=O)Cc1ccc(cn1)C#N 1458a_100000070787_100000693164 [0,1,0,0,0,0|3,0,0]=4 326 B12R1.4 CC(=O)Cc1ccc(nc1)C#N 1458a_100000070787_100009816919 [0,1,0,0,0,0|3,0,0]=4 327 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100015343762 [0,1,0,0,0,0|3,0,0]=4 328 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100015343762 [0,1,0,0,0,0|3,0,0]=4 329 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [0,1,0,0,0,0|2,0,0]=3 330 B12R1.4 CC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000184111_200025704644 [0,1,0,0,0,0|3,0,0]=4 331 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [0,1,0,0,0,0|2,0,0]=3 332 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [0,1,0,0,0,0|2,0,0]=3 333 B12R1.4 CC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000155215 [0,1,0,0,0,0|2,1,0]=4 334 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 34a_200000094647_200025704644 [0,1,0,0,0,0|3,0,0]=4 335 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 7a_200000094647_200025704644 [0,1,0,0,0,0|3,0,0]=4 336 B12R1.4 CC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000002173 [0,1,0,0,0,0|2,1,0]=4 337 B12R1.4 CC(=O)Sc1ccc(cc1)S[13CH3] 62a_200009995050_200025704644 [0,1,0,0,0,0|2,1,0]=4 338 B12R1.4 CC(N)Cc1ccc(cc1)O[13CH3] 34a_100102634573_200025704644 [0,1,0,0,0,0|2,0,1]=4 339 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [0,1,0,0,0,0|2,0,0]=3 340 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [0,1,0,0,0,0|2,0,0]=3 341 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [0,1,0,0,0,0|2,0,0]=3 342 B12R1.4 CCc1ccc(cc1)NC(=O)C 11a_100000211069_100015343762 [0,1,0,0,0,0|3,0,0]=4 343 B12R1.4 CCc1ccc(cc1)NC(=O)C 1626a_100000211069_100015343762 [0,1,0,0,0,0|3,0,0]=4 344 B12R1.4 CCc1ccc(cc1)NC(=O)C 22a_100000211069_100000070787 [0,1,0,0,0,0|3,0,0]=4 345 B12R1.4 CCc1ccc(cc1)NC(=O)C 527a_100000211069_100103153847 [0,1,0,0,0,0|3,0,0]=4 346 B12R1.4 CN(C)Cc1ccc(cc1)CO 2230a_100102631434_100000067286 [0,1,0,0,0,0|3,0,0]=4 347 B12R1.4 CN(C)Cc1ccc(cc1)CO 269982a_100102631434_100000067286 [0,1,0,0,0,0|3,0,0]=4 348 B12R1.4 CN(C)Cc1ccc(cc1)CO 270004a_100102631434_100009832023 [0,1,0,0,0,0|3,0,0]=4 349 B12R1.4 CNc1ccc(cc1)CC(=O)N 2230a_100000738315_200000210301 [0,1,0,0,0,0|2,0,0]=3 350 B12R1.4 CNc1ccc(cc1)CC(=O)N 34a_100000738315_200000210301 [0,1,0,0,0,0|2,0,0]=3 351 B12R1.4 CNc1ccc(cc1)NC(=O)C 34a_100000184111_200000210301 [0,1,0,0,0,0|3,0,0]=4 352 B12R1.4 COc1ccc(cc1)C=C(C)C 271570a_100102525489_100000171711 [0,1,0,0,0,0|2,0,1]=4 353 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [0,1,0,0,0,0|1,0,0]=2 354 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [0,1,0,0,0,0|1,0,0]=2 355 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [0,1,0,0,0,0|1,0,0]=2 356 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [0,1,0,0,0,0|1,0,0]=2 357 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [0,1,0,0,0,0|1,0,0]=2 358 B12R1.4 COc1ccc(cc1)CC(C)N 34a_100102634573_200000210301 [0,1,0,0,0,0|2,0,1]=4 359 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100000184145_200000210301 [0,1,0,0,0,0|3,0,0]=4 360 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100102631434_100000742318 [0,1,0,0,0,0|3,0,0]=4 361 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100000184145_200000210301 [0,1,0,0,0,0|3,0,0]=4 362 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100102631434_100000742318 [0,1,0,0,0,0|3,0,0]=4 363 B12R1.4 COc1ccc(cc1)CN(C)C 270004a_100102631434_100000169835 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 2230a_100000184145_200025704644 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 269982a_100000184145_200025704644 [0,1,0,0,0,0|3,0,0]=4 366 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [0,1,0,0,0,0|2,0,0]=3 367 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [0,1,0,0,0,0|2,0,0]=3 368 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [0,1,0,0,0,0|2,0,0]=3 369 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [0,1,0,0,0,0|2,0,0]=3 370 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [0,1,0,0,0,0|2,0,0]=3 371 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [0,1,0,0,0,0|2,0,0]=3 372 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100000070787_100020631284 [0,1,0,0,0,0|2,0,0]=3 373 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100012001117_200000210301 [0,1,0,0,0,0|2,0,0]=3 374 B12R1.4 COc1ccc(cn1)CC(=O)[13CH3] 1458a_100012001117_200025704644 [0,1,0,0,0,0|2,0,0]=3 375 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000070787_200000757186 [0,1,0,0,0,0|2,0,0]=3 376 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000722272_200000210301 [0,1,0,0,0,0|2,0,0]=3 377 B12R1.4 COc1ccc(nc1)CC(=O)[13CH3] 1458a_100000722272_200025704644 [0,1,0,0,0,0|2,0,0]=3 378 B12R1.4 COc1ccc(nc1)NC(=O)C 34a_200000094647_200000210301 [0,1,0,0,0,0|3,0,0]=4 379 B12R1.4 COc1ccc(nc1)NC(=O)C 7a_200000094647_200000210301 [0,1,0,0,0,0|3,0,0]=4 380 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000070787_100000181263 [0,1,0,0,0,0|1,1,0]=3 381 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000756958_200000210301 [0,1,0,0,0,0|1,1,0]=3 382 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_100000691760_200000210301 [0,1,0,0,0,0|1,1,0]=3 383 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_200000210301_100000691760 [0,1,0,0,0,0|1,1,0]=3 384 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_100000162331_200000210301 [0,1,0,0,0,0|1,1,0]=3 385 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_200000210301_100000162331 [0,1,0,0,0,0|1,1,0]=3 386 B12R1.4 CSc1ccc(cc1)CC(=O)[13CH3] 1458a_100000756958_200025704644 [0,1,0,0,0,0|1,1,0]=3 387 B12R1.4 CSc1ccc(cc1)NC(=O)C 11a_100000212337_100015343762 [0,1,0,0,0,0|2,1,0]=4 388 B12R1.4 CSc1ccc(cc1)NC(=O)C 22a_100000212337_100000070787 [0,1,0,0,0,0|2,1,0]=4 389 B12R1.4 CSc1ccc(cc1)NC(=O)C 527a_100000212337_100103153847 [0,1,0,0,0,0|2,1,0]=4 390 B12R1.4 CSc1ccc(cc1)NC(=O)C 62a_200000210301_100000155215 [0,1,0,0,0,0|2,1,0]=4 391 B12R1.4 CSc1ccc(cc1)NC(=O)N 62a_200000210301_100000198584 [0,1,0,0,0,0|2,1,0]=4 392 B12R1.4 CSc1ccc(cc1)OC(=O)C 62a_200000210301_100000002173 [0,1,0,0,0,0|2,1,0]=4 393 B12R1.4 CSc1ccc(cc1)SC(=O)C 62a_200009995050_200000210301 [0,1,0,0,0,0|2,1,0]=4 394 B12R1.4 CSc1ccc(cn1)CC(=O)N 62a_200000071513_200000210301 [0,1,0,0,0,0|2,1,0]=4 395 B12R1.4 CSc1ccc(cn1)CC(=O)N 62a_200000210301_200000071513 [0,1,0,0,0,0|2,1,0]=4 396 B12R1.4 CSc1ccc(nc1)CC(=O)N 62a_200000210301_200010888337 [0,1,0,0,0,0|2,1,0]=4 397 B12R1.4 CSc1ccc(nc1)CC(=O)N 62a_200010888337_200000210301 [0,1,0,0,0,0|2,1,0]=4 398 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200025704644 [0,1,0,0,0,0|2,0,0]=3 399 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [0,1,0,0,0,0|1,0,0]=2 400 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 2230a_100000738315_200025704644 [0,1,0,0,0,0|2,0,0]=3 401 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 34a_100000738315_200025704644 [0,1,0,0,0,0|2,0,0]=3 402 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [0,1,0,0,0,0|1,0,0]=2 403 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_100000162331_200025704644 [0,1,0,0,0,0|1,1,0]=3 404 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_200025704644_100000162331 [0,1,0,0,0,0|1,1,0]=3 405 B12R1.4 [13CH3]Sc1ccc(cc1)NC(=O)N 62a_200025704644_100000198584 [0,1,0,0,0,0|2,1,0]=4 406 B12R1.4 [13CH3]Sc1ccc(cn1)CC(=O)N 62a_200000071513_200025704644 [0,1,0,0,0,0|2,1,0]=4 407 B12R1.4 [13CH3]Sc1ccc(cn1)CC(=O)N 62a_200025704644_200000071513 [0,1,0,0,0,0|2,1,0]=4 408 B12R1.4 [13CH3]Sc1ccc(nc1)CC(=O)N 62a_200010888337_200025704644 [0,1,0,0,0,0|2,1,0]=4 409 B12R1.4 [13CH3]Sc1ccc(nc1)CC(=O)N 62a_200025704644_200010888337 [0,1,0,0,0,0|2,1,0]=4 410 B12R1.19 CC(=Cc1ccc(c(c1)Br)O)C 271570a_100102525489_100012361655 [0,1,0,0,0,0|2,0,1]=4 411 B12R1.19 CC(=Cc1ccc(c(c1)C)O)C 271570a_100102525489_100000186361 [0,1,0,0,0,0|2,0,1]=4 412 B12R1.19 CC(=Cc1ccc(c(c1)Cl)O)C 271570a_100102525489_100012360047 [0,1,0,0,0,0|2,0,1]=4 413 B12R1.19 CC(=Cc1ccc(c(c1)F)O)C 271570a_100102525489_100000185481 [0,1,0,0,0,0|2,0,1]=4 414 B12R1.19 CC(=Cc1ccc(c(c1)N)O)C 271570a_100102525489_100000752626 [0,1,0,0,0,0|2,0,1]=4 415 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C 271570a_100102525489_100009813601 [0,1,0,0,0,0|2,0,1]=4 416 B12R1.19 CC(=O)Cc1cc(=O)c(co1)O 1458a_100000070787_100000010605 [0,1,0,0,0,0|2,0,0]=3 417 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000070787_100012353900 [0,1,0,0,0,0|2,0,0]=3 418 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000070787_100012232412 [0,1,0,0,0,0|2,0,0]=3 419 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000709925_200000210301 [0,1,0,0,0,0|2,0,0]=3 420 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000070787_100012353894 [0,1,0,0,0,0|2,0,0]=3 421 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200000210301 [0,1,0,0,0,0|2,0,0]=3 422 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000070787_100011206884 [0,1,0,0,0,0|2,0,0]=3 423 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200000210301 [0,1,0,0,0,0|2,0,0]=3 424 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [0,1,0,0,0,0|1,0,0]=2 425 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000070787_100000727479 [0,1,0,0,0,0|2,0,0]=3 426 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_200000210301 [0,1,0,0,0,0|2,0,0]=3 427 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000070787_100000742320 [0,1,0,0,0,0|2,0,0]=3 428 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_200000210301 [0,1,0,0,0,0|2,0,0]=3 429 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000070787_100012184735 [0,1,0,0,0,0|2,0,0]=3 430 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100000070787_100011216667 [0,1,0,0,0,0|2,0,0]=3 431 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_200000210301 [0,1,0,0,0,0|2,0,0]=3 432 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [0,1,0,0,0,0|1,0,0]=2 433 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000070787_100012353895 [0,1,0,0,0,0|2,0,0]=3 434 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200000210301 [0,1,0,0,0,0|2,0,0]=3 435 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000070787_100011823929 [0,1,0,0,0,0|2,0,0]=3 436 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000070787_100000184707 [0,1,0,0,0,0|2,0,0]=3 437 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200000210301 [0,1,0,0,0,0|2,0,0]=3 438 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000070787_100000717365 [0,1,0,0,0,0|2,0,0]=3 439 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200000210301 [0,1,0,0,0,0|2,0,0]=3 440 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000070787_100012349665 [0,1,0,0,0,0|2,0,0]=3 441 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [0,1,0,0,0,0|1,0,0]=2 442 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000070787_100000767054 [0,1,0,0,0,0|2,0,0]=3 443 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200000210301 [0,1,0,0,0,0|2,0,0]=3 444 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100000070787_100011217369 [0,1,0,0,0,0|2,0,0]=3 445 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100011217375_200000210301 [0,1,0,0,0,0|2,0,0]=3 446 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000070787_100000716492 [0,1,0,0,0,0|2,0,0]=3 447 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200000210301 [0,1,0,0,0,0|2,0,0]=3 448 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000070787_100000757363 [0,1,0,0,0,0|2,0,0]=3 449 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200000210301 [0,1,0,0,0,0|2,0,0]=3 450 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100000070787_100010149604 [0,1,0,0,0,0|2,0,0]=3 451 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200000210301 [0,1,0,0,0,0|2,0,0]=3 452 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [0,1,0,0,0,0|1,0,0]=2 453 B12R1.19 CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000070787_100010146616 [0,1,0,0,0,0|2,0,0]=3 454 B12R1.19 CC(=O)Cc1ccc(c(c1)I)C 1458a_100000070787_100010206137 [0,1,0,0,0,0|2,0,0]=3 455 B12R1.19 CC(=O)Cc1ccc(c(c1)I)F 1458a_100000070787_100010188208 [0,1,0,0,0,0|2,0,0]=3 456 B12R1.19 CC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_200000210301 [0,1,0,0,0,0|2,0,0]=3 457 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [0,1,0,0,0,0|1,0,0]=2 458 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [0,1,0,0,0,0|1,0,0]=2 459 B12R1.19 CC(=O)Cc1cnc(c(c1)Br)F 1458a_100000070787_200010066439 [0,1,0,0,0,0|3,0,0]=4 460 B12R1.19 CC(=O)Cc1cnc(c(c1)Cl)Cl 1458a_100000070787_100009843750 [0,1,0,0,0,0|3,0,0]=4 461 B12R1.19 CC(=O)Cc1cnc(c(c1)I)Cl 1458a_100000070787_100011072623 [0,1,0,0,0,0|3,0,0]=4 462 B12R1.19 CC(=O)Nc1cc(c(cn1)O)C 271570a_203496583355_100011934553 [0,1,0,0,0,0|3,0,0]=4 463 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 11a_100011306057_100015343762 [0,1,0,0,0,0|3,0,0]=4 464 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 1626a_100011306057_100015343762 [0,1,0,0,0,0|3,0,0]=4 465 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 22a_100011306057_100000070787 [0,1,0,0,0,0|3,0,0]=4 466 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 527a_100011306057_100103153847 [0,1,0,0,0,0|3,0,0]=4 467 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 11a_100000736455_100015343762 [0,1,0,0,0,0|3,0,0]=4 468 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 1626a_100000736455_100015343762 [0,1,0,0,0,0|3,0,0]=4 469 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 22a_100000736455_100000070787 [0,1,0,0,0,0|3,0,0]=4 470 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 527a_100000736455_100103153847 [0,1,0,0,0,0|3,0,0]=4 471 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 11a_100000686031_100015343762 [0,1,0,0,0,0|3,0,0]=4 472 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 1626a_100000686031_100015343762 [0,1,0,0,0,0|3,0,0]=4 473 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 22a_100000686031_100000070787 [0,1,0,0,0,0|3,0,0]=4 474 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 527a_100000686031_100103153847 [0,1,0,0,0,0|3,0,0]=4 475 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 11a_100000760356_100015343762 [0,1,0,0,0,0|3,0,0]=4 476 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 1626a_100000760356_100015343762 [0,1,0,0,0,0|3,0,0]=4 477 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 22a_100000760356_100000070787 [0,1,0,0,0,0|3,0,0]=4 478 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 527a_100000760356_100103153847 [0,1,0,0,0,0|3,0,0]=4 479 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 11a_100000750458_100015343762 [0,1,0,0,0,0|3,0,0]=4 480 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 1626a_100000750458_100015343762 [0,1,0,0,0,0|3,0,0]=4 481 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 22a_100000750458_100000070787 [0,1,0,0,0,0|3,0,0]=4 482 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 527a_100000750458_100103153847 [0,1,0,0,0,0|3,0,0]=4 483 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000070787 [0,1,0,0,0,0|2,0,0]=3 484 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100103153847 [0,1,0,0,0,0|2,0,0]=3 485 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 11a_100000210723_100015343762 [0,1,0,0,0,0|3,0,0]=4 486 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 1626a_100000210723_100015343762 [0,1,0,0,0,0|3,0,0]=4 487 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 22a_100000210723_100000070787 [0,1,0,0,0,0|3,0,0]=4 488 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 527a_100000210723_100103153847 [0,1,0,0,0,0|3,0,0]=4 489 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 11a_100000724040_100015343762 [0,1,0,0,0,0|3,0,0]=4 490 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 1626a_100000724040_100015343762 [0,1,0,0,0,0|3,0,0]=4 491 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 22a_100000724040_100000070787 [0,1,0,0,0,0|3,0,0]=4 492 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 527a_100000724040_100103153847 [0,1,0,0,0,0|3,0,0]=4 493 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 11a_100000187808_100015343762 [0,1,0,0,0,0|3,0,0]=4 494 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 1626a_100000187808_100015343762 [0,1,0,0,0,0|3,0,0]=4 495 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 22a_100000187808_100000070787 [0,1,0,0,0,0|3,0,0]=4 496 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 527a_100000187808_100103153847 [0,1,0,0,0,0|3,0,0]=4 497 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 11a_100000750164_100015343762 [0,1,0,0,0,0|3,0,0]=4 498 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 1626a_100000750164_100015343762 [0,1,0,0,0,0|3,0,0]=4 499 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 22a_100000750164_100000070787 [0,1,0,0,0,0|3,0,0]=4 500 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 527a_100000750164_100103153847 [0,1,0,0,0,0|3,0,0]=4 501 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 11a_100000198070_100015343762 [0,1,0,0,0,0|3,0,0]=4 502 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 1626a_100000198070_100015343762 [0,1,0,0,0,0|3,0,0]=4 503 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 22a_100000198070_100000070787 [0,1,0,0,0,0|3,0,0]=4 504 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 527a_100000198070_100103153847 [0,1,0,0,0,0|3,0,0]=4 505 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [0,1,0,0,0,0|2,0,0]=3 506 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [0,1,0,0,0,0|2,0,0]=3 507 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [0,1,0,0,0,0|2,0,0]=3 508 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [0,1,0,0,0,0|2,0,0]=3 509 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 11a_100000687081_100015343762 [0,1,0,0,0,0|3,0,0]=4 510 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 1626a_100000687081_100015343762 [0,1,0,0,0,0|3,0,0]=4 511 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 22a_100000687081_100000070787 [0,1,0,0,0,0|3,0,0]=4 512 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 527a_100000687081_100103153847 [0,1,0,0,0,0|3,0,0]=4 513 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 11a_100000188892_100015343762 [0,1,0,0,0,0|3,0,0]=4 514 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 1626a_100000188892_100015343762 [0,1,0,0,0,0|3,0,0]=4 515 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 22a_100000188892_100000070787 [0,1,0,0,0,0|3,0,0]=4 516 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 527a_100000188892_100103153847 [0,1,0,0,0,0|3,0,0]=4 517 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 11a_100000184108_100015343762 [0,1,0,0,0,0|3,0,0]=4 518 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 1626a_100000184108_100015343762 [0,1,0,0,0,0|3,0,0]=4 519 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100000070787 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 527a_100000184108_100103153847 [0,1,0,0,0,0|3,0,0]=4 521 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 11a_100000211060_100015343762 [0,1,0,0,0,0|3,0,0]=4 522 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 1626a_100000211060_100015343762 [0,1,0,0,0,0|3,0,0]=4 523 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 22a_100000211060_100000070787 [0,1,0,0,0,0|3,0,0]=4 524 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 527a_100000211060_100103153847 [0,1,0,0,0,0|3,0,0]=4 525 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 11a_100000761885_100015343762 [0,1,0,0,0,0|3,0,0]=4 526 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 1626a_100000761885_100015343762 [0,1,0,0,0,0|3,0,0]=4 527 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 22a_100000761885_100000070787 [0,1,0,0,0,0|3,0,0]=4 528 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000070787 [0,1,0,0,0,0|2,0,0]=3 529 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 11a_100000759894_100015343762 [0,1,0,0,0,0|3,0,0]=4 530 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 1626a_100000759894_100015343762 [0,1,0,0,0,0|3,0,0]=4 531 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 22a_100000759894_100000070787 [0,1,0,0,0,0|3,0,0]=4 532 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 527a_100000759894_100103153847 [0,1,0,0,0,0|3,0,0]=4 533 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 11a_100000210958_100015343762 [0,1,0,0,0,0|3,0,0]=4 534 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 1626a_100000210958_100015343762 [0,1,0,0,0,0|3,0,0]=4 535 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 22a_100000210958_100000070787 [0,1,0,0,0,0|3,0,0]=4 536 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 527a_100000210958_100103153847 [0,1,0,0,0,0|3,0,0]=4 537 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 11a_100000739366_100015343762 [0,1,0,0,0,0|3,0,0]=4 538 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 1626a_100000739366_100015343762 [0,1,0,0,0,0|3,0,0]=4 539 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 22a_100000739366_100000070787 [0,1,0,0,0,0|3,0,0]=4 540 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 11a_100000210724_100015343762 [0,1,0,0,0,0|3,0,0]=4 541 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 1626a_100000210724_100015343762 [0,1,0,0,0,0|3,0,0]=4 542 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 22a_100000210724_100000070787 [0,1,0,0,0,0|3,0,0]=4 543 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 11a_100011356925_100015343762 [0,1,0,0,0,0|3,0,0]=4 544 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 1626a_100011356925_100015343762 [0,1,0,0,0,0|3,0,0]=4 545 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 22a_100011356925_100000070787 [0,1,0,0,0,0|3,0,0]=4 546 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000070787 [0,1,0,0,0,0|2,0,0]=3 547 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 271570a_203496583355_100011219590 [0,1,0,0,0,0|2,0,0]=3 548 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100103153847 [0,1,0,0,0,0|2,0,0]=3 549 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 11a_100000750459_100015343762 [0,1,0,0,0,0|3,0,0]=4 550 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 1626a_100000750459_100015343762 [0,1,0,0,0,0|3,0,0]=4 551 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 22a_100000750459_100000070787 [0,1,0,0,0,0|3,0,0]=4 552 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 527a_100000750459_100103153847 [0,1,0,0,0,0|3,0,0]=4 553 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 11a_100000184131_100015343762 [0,1,0,0,0,0|3,0,0]=4 554 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 1626a_100000184131_100015343762 [0,1,0,0,0,0|3,0,0]=4 555 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 22a_100000184131_100000070787 [0,1,0,0,0,0|3,0,0]=4 556 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 527a_100000184131_100103153847 [0,1,0,0,0,0|3,0,0]=4 557 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 11a_100012360549_100015343762 [0,1,0,0,0,0|3,0,0]=4 558 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 1626a_100012360549_100015343762 [0,1,0,0,0,0|3,0,0]=4 559 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 22a_100012360549_100000070787 [0,1,0,0,0,0|3,0,0]=4 560 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 527a_100012360549_100103153847 [0,1,0,0,0,0|3,0,0]=4 561 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 11a_114828291077_100015343762 [0,1,0,0,0,0|3,0,0]=4 562 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 1626a_114828291077_100015343762 [0,1,0,0,0,0|3,0,0]=4 563 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 22a_114828291077_100000070787 [0,1,0,0,0,0|3,0,0]=4 564 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 527a_114828291077_100103153847 [0,1,0,0,0,0|3,0,0]=4 565 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100015343762 [0,1,0,0,0,0|3,0,0]=4 566 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000070787 [0,1,0,0,0,0|3,0,0]=4 567 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 271570a_203496583355_100011221169 [0,1,0,0,0,0|3,0,0]=4 568 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100103153847 [0,1,0,0,0,0|3,0,0]=4 569 B12R1.19 CC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000070787 [0,1,0,0,0,0|3,0,0]=4 570 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000070787 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 271570a_203496583355_100012348134 [0,1,0,0,0,0|3,0,0]=4 572 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100103153847 [0,1,0,0,0,0|3,0,0]=4 573 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [0,1,0,0,0,0|2,0,0]=3 574 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [0,1,0,0,0,0|2,0,0]=3 575 B12R1.19 CC(=O)Nc1ccc(c(n1)C)O 271570a_203496583355_100000187074 [0,1,0,0,0,0|3,0,0]=4 576 B12R1.19 CC(=O)Nc1ccc(c(n1)F)O 271570a_203496583355_100000050017 [0,1,0,0,0,0|3,0,0]=4 577 B12R1.19 CC(=O)Oc1ccc(c(c1)O)C 271570a_203496583355_200025702335 [0,1,0,0,0,0|3,0,0]=4 578 B12R1.19 Cc1cc(ccc1Br)CC(=O)[13CH3] 1458a_100012340274_200025704644 [0,1,0,0,0,0|2,0,0]=3 579 B12R1.19 Cc1cc(ccc1F)CC(=O)[13CH3] 1458a_100011667458_200025704644 [0,1,0,0,0,0|2,0,0]=3 580 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [0,1,0,0,0,0|1,0,0]=2 581 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [0,1,0,0,0,0|2,0,0]=3 582 B12R1.19 Cc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100000709925_200025704644 [0,1,0,0,0,0|2,0,0]=3 583 B12R1.19 Cc1ccc(cc1C)CC(=O)[13CH3] 1458a_100000184070_200025704644 [0,1,0,0,0,0|2,0,0]=3 584 B12R1.19 Cc1ccc(cc1F)CC(=O)[13CH3] 1458a_100011217375_200025704644 [0,1,0,0,0,0|2,0,0]=3 585 B12R1.19 Cc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000082272_200025704644 [0,1,0,0,0,0|2,0,0]=3 586 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200025704644 [0,1,0,0,0,0|2,0,0]=3 587 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200025704644 [0,1,0,0,0,0|2,0,0]=3 588 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [0,1,0,0,0,0|1,0,0]=2 589 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200025704644 [0,1,0,0,0,0|2,0,0]=3 590 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200025704644 [0,1,0,0,0,0|2,0,0]=3 591 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200025704644 [0,1,0,0,0,0|2,0,0]=3 592 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [0,1,0,0,0,0|1,0,0]=2 593 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200025704644 [0,1,0,0,0,0|2,0,0]=3 594 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200025704644 [0,1,0,0,0,0|2,0,0]=3 595 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200025704644 [0,1,0,0,0,0|2,0,0]=3 596 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200025704644 [0,1,0,0,0,0|2,0,0]=3 597 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [0,1,0,0,0,0|1,0,0]=2 598 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [0,1,0,0,0,0|1,0,0]=2 599 B12R1.20 CC(=C(C)c1ccc(cc1)O)C 271570a_200000049429_100000185759 [0,1,0,0,0,0|2,0,1]=4 600 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [0,1,0,0,0,0|2,0,0]=3 601 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [0,1,0,0,0,0|2,0,0]=3 602 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [0,1,0,0,0,0|2,0,0]=3 603 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [0,1,0,0,0,0|2,0,0]=3 604 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [0,1,0,0,0,0|2,0,0]=3 605 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [0,1,0,0,0,0|2,0,0]=3 606 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [0,1,0,0,0,0|2,0,0]=3 607 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,1,0,0,0,0|1,0,0]=2 608 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [0,1,0,0,0,0|2,0,0]=3 609 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,1,0,0,0,0|2,0,0]=3 610 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,1,0,0,0,0|2,0,0]=3 611 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,1,0,0,0,0|1,0,0]=2 612 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100015343762 [0,1,0,0,0,0|3,0,0]=4 613 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100015343762 [0,1,0,0,0,0|3,0,0]=4 614 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000070787 [0,1,0,0,0,0|3,0,0]=4 615 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 11a_100000219977_100015343762 [0,1,0,0,0,0|3,0,0]=4 616 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100015343762 [0,1,0,0,0,0|3,0,0]=4 617 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000070787 [0,1,0,0,0,0|3,0,0]=4 618 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100015343762 [0,1,0,0,0,0|3,0,0]=4 619 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100015343762 [0,1,0,0,0,0|3,0,0]=4 620 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000070787 [0,1,0,0,0,0|3,0,0]=4 621 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 11a_100000219829_100015343762 [0,1,0,0,0,0|3,0,0]=4 622 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100015343762 [0,1,0,0,0,0|3,0,0]=4 623 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000070787 [0,1,0,0,0,0|3,0,0]=4 624 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 11a_100000743151_100015343762 [0,1,0,0,0,0|3,0,0]=4 625 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100015343762 [0,1,0,0,0,0|3,0,0]=4 626 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000070787 [0,1,0,0,0,0|3,0,0]=4 627 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [0,1,0,0,0,0|2,0,0]=3 628 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [0,1,0,0,0,0|2,0,0]=3 629 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [0,1,0,0,0,0|2,0,0]=3 630 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,1,0,0,0,0|2,0,0]=3 631 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,1,0,0,0,0|2,0,0]=3 632 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [0,1,0,0,0,0|2,0,0]=3 633 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [0,1,0,0,0,0|2,0,0]=3 634 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,1,0,0,0,0|1,0,0]=2 635 B12R1.20 CC(C)[C@H](N)c1ccc(cc1)O 271570a_203496583355_100102422763 [0,1,0,0,0,0|2,0,1]=4 636 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [0,1,0,0,0,0|2,0,0]=3 637 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,1,0,0,0,0|2,0,0]=3 638 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,1,0,0,0,0|1,0,1]=3 639 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [0,1,0,0,0,0|2,0,0]=3 640 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,1,0,0,0,0|2,0,0]=3 641 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,1,0,0,0,0|2,0,0]=3 642 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,1,0,0,0,0|1,0,0]=2 643 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,1,0,0,0,0|2,0,0]=3 644 B12R1.49 C#CC(=O)Cc1ccc(cc1)Br 1458a_100000211873_100000189115 [0,1,0,0,0,0|2,0,0]=3 645 B12R1.49 C#CC(=O)Cc1ccc(cc1)C 1458a_100000211873_100000210814 [0,1,0,0,0,0|2,0,0]=3 646 B12R1.49 C#CC(=O)Cc1ccc(cc1)Cl 1458a_100000211873_100000694040 [0,1,0,0,0,0|2,0,0]=3 647 B12R1.49 C#CC(=O)Cc1ccc(cc1)F 1458a_100000211873_100000198546 [0,1,0,0,0,0|2,0,0]=3 648 B12R1.49 C#CC(=O)Cc1ccc(cc1)I 1458a_100000211873_100000189116 [0,1,0,0,0,0|2,0,0]=3 649 B12R1.49 C#CC(=O)Cc1ccc(cn1)Br 1458a_100000211873_100000702658 [0,1,0,0,0,0|3,0,0]=4 650 B12R1.49 C#CC(=O)Cc1ccc(cn1)C 1458a_100000211873_100000691093 [0,1,0,0,0,0|3,0,0]=4 651 B12R1.49 C#CC(=O)Cc1ccc(cn1)Cl 1458a_100000211873_100012066911 [0,1,0,0,0,0|3,0,0]=4 652 B12R1.49 C#CC(=O)Cc1ccc(cn1)F 1458a_100000211873_100000703193 [0,1,0,0,0,0|3,0,0]=4 653 B12R1.49 C#CC(=O)Cc1ccc(nc1)Br 1458a_100000211873_100009831999 [0,1,0,0,0,0|3,0,0]=4 654 B12R1.49 C#CC(=O)Cc1ccc(nc1)C 1458a_100000211873_100016987292 [0,1,0,0,0,0|3,0,0]=4 655 B12R1.49 C#CC(=O)Cc1ccc(nc1)Cl 1458a_100000211873_100000735431 [0,1,0,0,0,0|3,0,0]=4 656 B12R1.49 C#CC(=O)Cc1ccc(nc1)F 1458a_100000211873_100009820150 [0,1,0,0,0,0|3,0,0]=4 657 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,1,0,0,0,0|2,0,0]=3 658 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,1,0,0,0,0|2,0,0]=3 659 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,1,0,0,0,0|2,0,0]=3 660 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,1,0,0,0,0|2,0,0]=3 661 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,1,0,0,0,0|2,0,0]=3 662 B12R1.49 C=CC(=O)Cc1ccc(cn1)Br 1458a_100000185746_100000702658 [0,1,0,0,0,0|3,0,0]=4 663 B12R1.49 C=CC(=O)Cc1ccc(cn1)C 1458a_100000185746_100000691093 [0,1,0,0,0,0|3,0,0]=4 664 B12R1.49 C=CC(=O)Cc1ccc(cn1)Cl 1458a_100000185746_100012066911 [0,1,0,0,0,0|3,0,0]=4 665 B12R1.49 C=CC(=O)Cc1ccc(cn1)F 1458a_100000185746_100000703193 [0,1,0,0,0,0|3,0,0]=4 666 B12R1.49 C=CC(=O)Cc1ccc(nc1)Br 1458a_100000185746_100009831999 [0,1,0,0,0,0|3,0,0]=4 667 B12R1.49 C=CC(=O)Cc1ccc(nc1)C 1458a_100000185746_100016987292 [0,1,0,0,0,0|3,0,0]=4 668 B12R1.49 C=CC(=O)Cc1ccc(nc1)Cl 1458a_100000185746_100000735431 [0,1,0,0,0,0|3,0,0]=4 669 B12R1.49 C=CC(=O)Cc1ccc(nc1)F 1458a_100000185746_100009820150 [0,1,0,0,0,0|3,0,0]=4 670 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [0,1,0,0,0,0|3,0,0]=4 671 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [0,1,0,0,0,0|3,0,0]=4 672 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [0,1,0,0,0,0|3,0,0]=4 673 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [0,1,0,0,0,0|3,0,0]=4 674 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [0,1,0,0,0,0|3,0,0]=4 675 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [0,1,0,0,0,0|3,0,0]=4 676 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [0,1,0,0,0,0|3,0,0]=4 677 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [0,1,0,0,0,0|3,0,0]=4 678 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [0,1,0,0,0,0|3,0,0]=4 679 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [0,1,0,0,0,0|3,0,0]=4 680 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,1,0,0,0,0|2,0,0]=3 681 B12R1.49 CC(CO)Nc1ccc(cc1)O 34a_100000185829_100012180447 [0,1,0,0,0,0|2,0,1]=4 682 B12R1.49 CC(CO)Sc1ccc(cc1)O 62a_100012180447_100000185759 [0,1,0,0,0,0|2,0,1]=4 683 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 34a_100011351027_200025704644 [0,1,0,0,0,0|2,0,1]=4 684 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 7a_100011351027_200025704644 [0,1,0,0,0,0|2,0,1]=4 685 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 2230a_100102634573_200025704644 [0,1,0,0,0,0|2,0,1]=4 686 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 34a_100102634573_200025704644 [0,1,0,0,0,0|2,0,1]=4 687 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [0,1,0,0,0,0|2,0,0]=3 688 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [0,1,0,0,0,0|2,0,0]=3 689 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [0,1,0,0,0,0|2,0,0]=3 690 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [0,1,0,0,0,0|2,0,0]=3 691 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [0,1,0,0,0,0|2,0,0]=3 692 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [0,1,0,0,0,0|2,0,0]=3 693 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [0,1,0,0,0,0|2,0,0]=3 694 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [0,1,0,0,0,0|2,0,0]=3 695 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [0,1,0,0,0,0|2,0,0]=3 696 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [0,1,0,0,0,0|2,0,0]=3 697 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [0,1,0,0,0,0|1,0,0]=2 698 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100000210414_100000702658 [0,1,0,0,0,0|3,0,0]=4 699 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000210202 [0,1,0,0,0,0|3,0,0]=4 700 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100000210414_100000691093 [0,1,0,0,0,0|3,0,0]=4 701 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000210202 [0,1,0,0,0,0|3,0,0]=4 702 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000210414_100012066911 [0,1,0,0,0,0|3,0,0]=4 703 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000210202 [0,1,0,0,0,0|3,0,0]=4 704 B12R1.49 CCC(=O)Cc1ccc(cn1)F 1458a_100000210414_100000703193 [0,1,0,0,0,0|3,0,0]=4 705 B12R1.49 CCC(=O)Cc1ccc(nc1)Br 1458a_100000210414_100009831999 [0,1,0,0,0,0|3,0,0]=4 706 B12R1.49 CCC(=O)Cc1ccc(nc1)Br 1458a_100010067268_100000210202 [0,1,0,0,0,0|3,0,0]=4 707 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000210414_100016987292 [0,1,0,0,0,0|3,0,0]=4 708 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000740413_100000210202 [0,1,0,0,0,0|3,0,0]=4 709 B12R1.49 CCC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100000210202 [0,1,0,0,0,0|3,0,0]=4 710 B12R1.49 CCC(=O)Cc1ccc(nc1)Cl 1458a_100000210414_100000735431 [0,1,0,0,0,0|3,0,0]=4 711 B12R1.49 CCC(=O)Cc1ccc(nc1)F 1458a_100000210414_100009820150 [0,1,0,0,0,0|3,0,0]=4 712 B12R1.49 CCC(=O)Cn1ccc(=O)cc1 1458a_200000238563_100000210202 [0,1,0,0,0,0|2,0,1]=4 713 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210414 [0,1,0,0,0,0|3,0,0]=4 714 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210414 [0,1,0,0,0,0|3,0,0]=4 715 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210414 [0,1,0,0,0,0|3,0,0]=4 716 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210414 [0,1,0,0,0,0|3,0,0]=4 717 B12R1.49 CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210414 [0,1,0,0,0,0|3,0,0]=4 718 B12R1.49 CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210414 [0,1,0,0,0,0|3,0,0]=4 719 B12R1.49 CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210414 [0,1,0,0,0,0|3,0,0]=4 720 B12R1.49 CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210414 [0,1,0,0,0,0|3,0,0]=4 721 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210414 [0,1,0,0,0,0|3,0,0]=4 722 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210414 [0,1,0,0,0,0|3,0,0]=4 723 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210414 [0,1,0,0,0,0|3,0,0]=4 724 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210414 [0,1,0,0,0,0|3,0,0]=4 725 B12R1.49 CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210414 [0,1,0,0,0,0|3,0,0]=4 726 B12R1.49 CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210414 [0,1,0,0,0,0|3,0,0]=4 727 B12R1.49 CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210414 [0,1,0,0,0,0|3,0,0]=4 728 B12R1.49 CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210414 [0,1,0,0,0,0|3,0,0]=4 729 B12R1.49 CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210414 [0,1,0,0,0,0|3,0,0]=4 730 B12R1.49 CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210414 [0,1,0,0,0,0|3,0,0]=4 731 B12R1.49 CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210414 [0,1,0,0,0,0|3,0,0]=4 732 B12R1.49 CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210414 [0,1,0,0,0,0|3,0,0]=4 733 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [0,1,0,0,0,0|2,0,0]=3 734 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [0,1,0,0,0,0|2,0,0]=3 735 B12R1.49 CCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210202 [0,1,0,0,0,0|3,0,0]=4 736 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000204670 [0,1,0,0,0,0|3,0,0]=4 737 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000748449_200000210301 [0,1,0,0,0,0|3,0,0]=4 738 B12R1.49 CCN([13CH3])Cc1ccc(cc1)O 269982a_100000748449_200025704644 [0,1,0,0,0,0|3,0,0]=4 739 B12R1.49 CN(CF)Cc1ccc(cc1)O 269982a_100000207500_100015361967 [0,1,0,0,0,0|3,0,0]=4 740 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [0,1,0,0,0,0|2,0,0]=3 741 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [0,1,0,0,0,0|2,0,0]=3 742 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [0,1,0,0,0,0|2,0,0]=3 743 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [0,1,0,0,0,0|2,0,0]=3 744 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [0,1,0,0,0,0|2,0,0]=3 745 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [0,1,0,0,0,0|2,0,0]=3 746 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [0,1,0,0,0,0|2,0,0]=3 747 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [0,1,0,0,0,0|2,0,0]=3 748 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [0,1,0,0,0,0|2,0,0]=3 749 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [0,1,0,0,0,0|2,0,0]=3 750 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [0,1,0,0,0,0|2,0,0]=3 751 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [0,1,0,0,0,0|2,0,0]=3 752 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [0,1,0,0,0,0|2,0,0]=3 753 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [0,1,0,0,0,0|2,0,0]=3 754 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [0,1,0,0,0,0|2,0,0]=3 755 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [0,1,0,0,0,0|2,0,0]=3 756 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [0,1,0,0,0,0|2,0,0]=3 757 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,1,0,0,0,0|1,0,0]=2 758 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,1,0,0,0,0|1,0,0]=2 759 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,1,0,0,0,0|1,0,0]=2 760 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,1,0,0,0,0|1,0,0]=2 761 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 11a_106832991635_100020629044 [0,1,0,0,0,0|3,0,0]=4 762 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 240690a_100102657272_100020629044 [0,1,0,0,0,0|3,0,0]=4 763 B12R1.49 CNC(=O)Cc1ccc(cn1)C 11a_106832991635_100025705728 [0,1,0,0,0,0|3,0,0]=4 764 B12R1.49 CNC(=O)Cc1ccc(cn1)C 1626a_100102657272_100025705728 [0,1,0,0,0,0|3,0,0]=4 765 B12R1.49 CNC(=O)Cc1ccc(cn1)C 240690a_100102657272_100025705728 [0,1,0,0,0,0|3,0,0]=4 766 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 11a_106832991635_100000728320 [0,1,0,0,0,0|3,0,0]=4 767 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 1626a_100102657272_100000728320 [0,1,0,0,0,0|3,0,0]=4 768 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 240690a_100102657272_100000728320 [0,1,0,0,0,0|3,0,0]=4 769 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 527a_100102657272_100000728320 [0,1,0,0,0,0|3,0,0]=4 770 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 11a_106832991635_100010067268 [0,1,0,0,0,0|3,0,0]=4 771 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 240690a_100102657272_100010067268 [0,1,0,0,0,0|3,0,0]=4 772 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 527a_100102657272_100010067268 [0,1,0,0,0,0|3,0,0]=4 773 B12R1.49 CNC(=O)Cc1ccc(nc1)C 11a_106832991635_100000740413 [0,1,0,0,0,0|3,0,0]=4 774 B12R1.49 CNC(=O)Cc1ccc(nc1)C 1626a_100102657272_100000740413 [0,1,0,0,0,0|3,0,0]=4 775 B12R1.49 CNC(=O)Cc1ccc(nc1)C 240690a_100102657272_100000740413 [0,1,0,0,0,0|3,0,0]=4 776 B12R1.49 CNC(=O)Cc1ccc(nc1)C 527a_100102657272_100000740413 [0,1,0,0,0,0|3,0,0]=4 777 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 11a_106832991635_100000061944 [0,1,0,0,0,0|3,0,0]=4 778 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 1626a_100102657272_100000061944 [0,1,0,0,0,0|3,0,0]=4 779 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 240690a_100102657272_100000061944 [0,1,0,0,0,0|3,0,0]=4 780 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 527a_100102657272_100000061944 [0,1,0,0,0,0|3,0,0]=4 781 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 11a_106832991635_200000238563 [0,1,0,0,0,0|2,0,1]=4 782 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 1626a_100102657272_200000238563 [0,1,0,0,0,0|2,0,1]=4 783 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 240690a_100102657272_200000238563 [0,1,0,0,0,0|2,0,1]=4 784 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 527a_100102657272_200000238563 [0,1,0,0,0,0|2,0,1]=4 785 B12R1.49 CNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100102657272 [0,1,0,0,0,0|3,0,0]=4 786 B12R1.49 CNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100102657272 [0,1,0,0,0,0|3,0,0]=4 787 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100102657272 [0,1,0,0,0,0|3,0,0]=4 788 B12R1.49 CNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100102657272 [0,1,0,0,0,0|3,0,0]=4 789 B12R1.49 CNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100102657272 [0,1,0,0,0,0|3,0,0]=4 790 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [0,1,0,0,0,0|2,0,0]=3 791 B12R1.49 CNC(C)Cc1ccc(cc1)O 2230a_100102634573_200000210301 [0,1,0,0,0,0|2,0,1]=4 792 B12R1.49 CNC(C)Cc1ccc(cc1)O 270004a_106832991635_100011218180 [0,1,0,0,0,0|2,0,1]=4 793 B12R1.49 CNC(C)Cc1ccc(cc1)O 34a_100102634573_200000210301 [0,1,0,0,0,0|2,0,1]=4 794 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [0,1,0,0,0,0|0,0,0]=1 795 B12R1.49 COC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012362609 [0,1,0,0,0,0|1,0,0]=2 796 B12R1.49 COC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071674 [0,1,0,0,0,0|1,0,0]=2 797 B12R1.49 COC(=O)Cc1ncc(cn1)O 271570a_203496583355_100010080487 [0,1,0,0,0,0|2,0,0]=3 798 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [0,1,0,0,0,0|1,0,0]=2 799 B12R1.49 COC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000188976 [0,1,0,0,0,0|2,0,0]=3 800 B12R1.49 COC(C)Cc1ccc(cc1)F 34a_100011351027_200000210301 [0,1,0,0,0,0|2,0,1]=4 801 B12R1.49 COC(C)Cc1ccc(cc1)F 7a_100011351027_200000210301 [0,1,0,0,0,0|2,0,1]=4 802 B12R1.49 COC(C)Sc1ccc(cc1)O 62a_100009879195_100000185759 [0,1,0,0,0,0|2,0,1]=4 803 B12R1.49 C[C@H](CO)Sc1ccc(cc1)O 62a_100016084084_100000185759 [0,1,0,0,0,0|2,0,1]=4 804 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [0,1,0,0,0,0|2,0,0]=3 805 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,1,0,0,0,0|1,0,0]=2 806 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,1,0,0,0,0|2,0,0]=3 807 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,1,0,0,0,0|2,0,0]=3 808 B12R1.49 Cc1ccc(cn1)CC(=O)CF 1458a_100000740413_100015361967 [0,1,0,0,0,0|3,0,0]=4 809 B12R1.49 Cc1ccc(cn1)CC(=O)CO 1458a_100000210174_100016987292 [0,1,0,0,0,0|2,0,0]=3 810 B12R1.49 Cc1ccc(nc1)CC(=O)CF 1458a_100025705728_100015361967 [0,1,0,0,0,0|3,0,0]=4 811 B12R1.49 Cc1ccc(nc1)CC(=O)CO 1458a_100000210174_100000691093 [0,1,0,0,0,0|2,0,0]=3 812 B12R1.49 Cc1cnc(cn1)CC(=O)CO 1458a_100000210174_100000752025 [0,1,0,0,0,0|3,0,0]=4 813 B12R1.49 Cc1cnc(nc1)CC(=O)CO 1458a_100000210174_100000685645 [0,1,0,0,0,0|3,0,0]=4 814 B12R1.49 O=C(CF)Cc1ccc(cc1)Br 1458a_100000198978_100015361967 [0,1,0,0,0,0|2,0,0]=3 815 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [0,1,0,0,0,0|2,0,0]=3 816 B12R1.49 O=C(CF)Cc1ccc(cc1)F 1458a_100000210951_100015361967 [0,1,0,0,0,0|2,0,0]=3 817 B12R1.49 O=C(CF)Cc1ccc(cc1)I 1458a_100000688869_100015361967 [0,1,0,0,0,0|2,0,0]=3 818 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [0,1,0,0,0,0|1,0,0]=2 819 B12R1.49 O=C(CF)Cc1ccc(cn1)Br 1458a_100020629044_100015361967 [0,1,0,0,0,0|3,0,0]=4 820 B12R1.49 O=C(CF)Cc1ccc(cn1)Cl 1458a_100000728320_100015361967 [0,1,0,0,0,0|3,0,0]=4 821 B12R1.49 O=C(CF)Cc1ccc(nc1)Br 1458a_100010067268_100015361967 [0,1,0,0,0,0|3,0,0]=4 822 B12R1.49 O=C(CF)Cc1ccc(nc1)Cl 1458a_100000061944_100015361967 [0,1,0,0,0,0|3,0,0]=4 823 B12R1.49 O=C(CF)Cn1ccc(=O)cc1 1458a_200000238563_100015361967 [0,1,0,0,0,0|2,0,1]=4 824 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,1,0,0,0,0|1,0,0]=2 825 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,1,0,0,0,0|1,0,0]=2 826 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,1,0,0,0,0|1,0,0]=2 827 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,1,0,0,0,0|1,0,0]=2 828 B12R1.49 O=C(CO)Cc1ccc(cn1)Br 1458a_100000210174_100000702658 [0,1,0,0,0,0|2,0,0]=3 829 B12R1.49 O=C(CO)Cc1ccc(cn1)Cl 1458a_100000210174_100012066911 [0,1,0,0,0,0|2,0,0]=3 830 B12R1.49 O=C(CO)Cc1ccc(cn1)F 1458a_100000210174_100000703193 [0,1,0,0,0,0|2,0,0]=3 831 B12R1.49 O=C(CO)Cc1ccc(nc1)Br 1458a_100000210174_100009831999 [0,1,0,0,0,0|2,0,0]=3 832 B12R1.49 O=C(CO)Cc1ccc(nc1)Cl 1458a_100000210174_100000735431 [0,1,0,0,0,0|2,0,0]=3 833 B12R1.49 O=C(CO)Cc1ccc(nc1)F 1458a_100000210174_100009820150 [0,1,0,0,0,0|2,0,0]=3 834 B12R1.49 O=C(CO)Cc1ccc(nn1)Cl 1458a_100000210174_100016992710 [0,1,0,0,0,0|3,0,0]=4 835 B12R1.49 O=C(CO)Cc1ncc(cn1)Br 1458a_100000210174_100010064664 [0,1,0,0,0,0|3,0,0]=4 836 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,1,0,0,0,0|2,0,0]=3 837 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,1,0,0,0,0|2,0,0]=3 838 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,1,0,0,0,0|2,0,0]=3 839 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,1,0,0,0,0|2,0,0]=3 840 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,1,0,0,0,0|2,0,0]=3 841 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,1,0,0,0,0|2,0,0]=3 842 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,1,0,0,0,0|2,0,0]=3 843 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,1,0,0,0,0|2,0,0]=3 844 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,1,0,0,0,0|1,0,0]=2 845 B12R1.106 CC(F)(F)Cc1ccc(cc1)O 271570a_203496583355_100010238340 [0,1,0,0,0,0|2,0,1]=4 846 B12R1.106 CS(=O)(=O)Cc1ccc(cc1)O 271570a_203496583355_100009814647 [0,1,0,0,0,0|1,0,1]=3 847 B12R1.106 CS(=O)(=O)Cc1ccc(nc1)O 271570a_203496583355_200000061366 [0,1,0,0,0,0|2,0,1]=4 848 B12R1.106 CS(=O)(=O)Nc1ccc(cc1)O 271570a_203496583355_200000165602 [0,1,0,0,0,0|2,0,1]=4 849 B12R1.106 C[Si](C)(C)Cc1ccc(cc1)O 271570a_203496583355_100009813299 [0,1,0,0,0,0|2,1,0]=4 850 B12R1.106 NS(=O)(=O)Cc1ccc(cc1)O 271570a_203496583355_100000764258 [0,1,0,0,0,0|1,0,1]=3 851 B12R1.106 Oc1ccc(cc1)CC(F)(F)F 271570a_203496583355_100000723781 [0,1,0,0,0,0|2,0,1]=4 852 B12R1.233 CC(=Cc1ccc(cc1Br)O)C 271570a_100102525489_100000701344 [0,1,0,0,0,0|2,0,1]=4 853 B12R1.233 CC(=Cc1ccc(cc1C)O)C 271570a_100102525489_100000729255 [0,1,0,0,0,0|2,0,1]=4 854 B12R1.233 CC(=Cc1ccc(cc1Cl)O)C 271570a_100102525489_100000047559 [0,1,0,0,0,0|2,0,1]=4 855 B12R1.233 CC(=Cc1ccc(cc1F)O)C 271570a_100102525489_100000755031 [0,1,0,0,0,0|2,0,1]=4 856 B12R1.233 CC(=Cc1ccc(cc1N)O)C 271570a_100102525489_100011999798 [0,1,0,0,0,0|2,0,1]=4 857 B12R1.233 CC(=Cc1ccc(cc1O)O)C 271570a_100102525489_100009813921 [0,1,0,0,0,0|2,0,1]=4 858 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100000070787_200012351560 [0,1,0,0,0,0|2,0,0]=3 859 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200000210301 [0,1,0,0,0,0|2,0,0]=3 860 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000070787_100000755608 [0,1,0,0,0,0|2,0,0]=3 861 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200000210301 [0,1,0,0,0,0|2,0,0]=3 862 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000070787_100000243222 [0,1,0,0,0,0|2,0,0]=3 863 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200000210301 [0,1,0,0,0,0|2,0,0]=3 864 B12R1.233 CC(=O)Cc1ccc(cc1Br)I 1458a_100000070787_100010146610 [0,1,0,0,0,0|2,0,0]=3 865 B12R1.233 CC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200000210301 [0,1,0,0,0,0|1,0,0]=2 866 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000070787_100000708836 [0,1,0,0,0,0|2,0,0]=3 867 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_200000210301 [0,1,0,0,0,0|2,0,0]=3 868 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [0,1,0,0,0,0|2,0,0]=3 869 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [0,1,0,0,0,0|2,0,0]=3 870 B12R1.233 CC(=O)Cc1ccc(cc1C)Cl 1458a_100000070787_100012361307 [0,1,0,0,0,0|2,0,0]=3 871 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100000070787_100000700533 [0,1,0,0,0,0|2,0,0]=3 872 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100011667441_200000210301 [0,1,0,0,0,0|2,0,0]=3 873 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100000070787_100011740631 [0,1,0,0,0,0|2,0,0]=3 874 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200000210301 [0,1,0,0,0,0|2,0,0]=3 875 B12R1.233 CC(=O)Cc1ccc(cc1Cl)C 1458a_100000070787_100012349684 [0,1,0,0,0,0|2,0,0]=3 876 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000070787_100000188473 [0,1,0,0,0,0|2,0,0]=3 877 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200000210301 [0,1,0,0,0,0|2,0,0]=3 878 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000070787_100011216360 [0,1,0,0,0,0|2,0,0]=3 879 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200000210301 [0,1,0,0,0,0|2,0,0]=3 880 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100000070787_100000211606 [0,1,0,0,0,0|2,0,0]=3 881 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200000210301 [0,1,0,0,0,0|2,0,0]=3 882 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000042674_200000210301 [0,1,0,0,0,0|2,0,0]=3 883 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000070787_100012002367 [0,1,0,0,0,0|2,0,0]=3 884 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100000070787_100000709361 [0,1,0,0,0,0|2,0,0]=3 885 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200000210301 [0,1,0,0,0,0|2,0,0]=3 886 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000070787_100000748237 [0,1,0,0,0,0|2,0,0]=3 887 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000684719_200000210301 [0,1,0,0,0,0|2,0,0]=3 888 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100000070787_100010244991 [0,1,0,0,0,0|2,0,0]=3 889 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100010149628_200000210301 [0,1,0,0,0,0|2,0,0]=3 890 B12R1.233 CC(=O)Cc1ccc(cc1F)O 1458a_100000090534_200000210301 [0,1,0,0,0,0|1,0,0]=2 891 B12R1.233 CC(=O)Cc1ccc(cc1I)Br 1458a_100000070787_100010146615 [0,1,0,0,0,0|2,0,0]=3 892 B12R1.233 CC(=O)Cc1ccc(cc1I)Cl 1458a_100000070787_100010254388 [0,1,0,0,0,0|2,0,0]=3 893 B12R1.233 CC(=O)Cc1ccc(cc1I)F 1458a_100000070787_100012354799 [0,1,0,0,0,0|2,0,0]=3 894 B12R1.233 CC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200000210301 [0,1,0,0,0,0|2,0,0]=3 895 B12R1.233 CC(=O)Cc1ccc(nc1Br)C 1458a_100000070787_200010064658 [0,1,0,0,0,0|3,0,0]=4 896 B12R1.233 CC(=O)Cc1ccc(nc1Cl)Cl 1458a_100000070787_100000722033 [0,1,0,0,0,0|3,0,0]=4 897 B12R1.233 CC(=O)Cc1ccc(nc1Cl)Cl 1458a_200010067290_200000210301 [0,1,0,0,0,0|3,0,0]=4 898 B12R1.233 CC(=O)Cc1cnc(cc1C)F 1458a_100000070787_100010382440 [0,1,0,0,0,0|3,0,0]=4 899 B12R1.233 CC(=O)Cc1cnc(cc1Cl)Cl 1458a_100000070787_100011997056 [0,1,0,0,0,0|3,0,0]=4 900 B12R1.233 CC(=O)Cc1ncc(cc1Br)Cl 1458a_200012351915_200000210301 [0,1,0,0,0,0|3,0,0]=4 901 B12R1.233 CC(=O)Cc1ncc(cc1C)C 1458a_100000070787_100016990036 [0,1,0,0,0,0|3,0,0]=4 902 B12R1.233 CC(=O)Cc1ncc(cc1F)Br 1458a_100012351917_200000210301 [0,1,0,0,0,0|3,0,0]=4 903 B12R1.233 CC(=O)Cc1ncc(cc1F)Cl 1458a_100000070787_200009879301 [0,1,0,0,0,0|3,0,0]=4 904 B12R1.233 CC(=O)Cn1ccc(cc1=O)C 1458a_100000721392_200000210301 [0,1,0,0,0,0|3,0,0]=4 905 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br 11a_100000211012_100015343762 [0,1,0,0,0,0|3,0,0]=4 906 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br 1626a_100000211012_100015343762 [0,1,0,0,0,0|3,0,0]=4 907 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 11a_100000210942_100015343762 [0,1,0,0,0,0|3,0,0]=4 908 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 1626a_100000210942_100015343762 [0,1,0,0,0,0|3,0,0]=4 909 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 11a_100000752454_100015343762 [0,1,0,0,0,0|3,0,0]=4 910 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 1626a_100000752454_100015343762 [0,1,0,0,0,0|3,0,0]=4 911 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 11a_100000738039_100015343762 [0,1,0,0,0,0|3,0,0]=4 912 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 1626a_100000738039_100015343762 [0,1,0,0,0,0|3,0,0]=4 913 B12R1.233 CC(=O)Nc1ccc(cc1Br)I 11a_100000750455_100015343762 [0,1,0,0,0,0|3,0,0]=4 914 B12R1.233 CC(=O)Nc1ccc(cc1Br)I 1626a_100000750455_100015343762 [0,1,0,0,0,0|3,0,0]=4 915 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000070787 [0,1,0,0,0,0|2,0,0]=3 916 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100103153847 [0,1,0,0,0,0|2,0,0]=3 917 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 11a_100000211769_100015343762 [0,1,0,0,0,0|3,0,0]=4 918 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100015343762 [0,1,0,0,0,0|3,0,0]=4 919 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000070787 [0,1,0,0,0,0|3,0,0]=4 920 B12R1.233 CC(=O)Nc1ccc(cc1C)C 11a_100000736561_100015343762 [0,1,0,0,0,0|3,0,0]=4 921 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100015343762 [0,1,0,0,0,0|3,0,0]=4 922 B12R1.233 CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000070787 [0,1,0,0,0,0|3,0,0]=4 923 B12R1.233 CC(=O)Nc1ccc(cc1C)C 527a_100000736561_100103153847 [0,1,0,0,0,0|3,0,0]=4 924 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 11a_100000210418_100015343762 [0,1,0,0,0,0|3,0,0]=4 925 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100015343762 [0,1,0,0,0,0|3,0,0]=4 926 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000070787 [0,1,0,0,0,0|3,0,0]=4 927 B12R1.233 CC(=O)Nc1ccc(cc1C)F 11a_100000211637_100015343762 [0,1,0,0,0,0|3,0,0]=4 928 B12R1.233 CC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100015343762 [0,1,0,0,0,0|3,0,0]=4 929 B12R1.233 CC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000070787 [0,1,0,0,0,0|3,0,0]=4 930 B12R1.233 CC(=O)Nc1ccc(cc1C)F 527a_100000211637_100103153847 [0,1,0,0,0,0|3,0,0]=4 931 B12R1.233 CC(=O)Nc1ccc(cc1C)I 11a_100000184554_100015343762 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.233 CC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100015343762 [0,1,0,0,0,0|3,0,0]=4 933 B12R1.233 CC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000070787 [0,1,0,0,0,0|3,0,0]=4 934 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [0,1,0,0,0,0|2,0,0]=3 935 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [0,1,0,0,0,0|2,0,0]=3 936 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [0,1,0,0,0,0|2,0,0]=3 937 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 11a_100000211467_100015343762 [0,1,0,0,0,0|3,0,0]=4 938 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 1626a_100000211467_100015343762 [0,1,0,0,0,0|3,0,0]=4 939 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 11a_100000210522_100015343762 [0,1,0,0,0,0|3,0,0]=4 940 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 1626a_100000210522_100015343762 [0,1,0,0,0,0|3,0,0]=4 941 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 22a_100000210522_100000070787 [0,1,0,0,0,0|3,0,0]=4 942 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 11a_100000185861_100015343762 [0,1,0,0,0,0|3,0,0]=4 943 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 1626a_100000185861_100015343762 [0,1,0,0,0,0|3,0,0]=4 944 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000070787 [0,1,0,0,0,0|3,0,0]=4 945 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 11a_100000212003_100015343762 [0,1,0,0,0,0|3,0,0]=4 946 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 1626a_100000212003_100015343762 [0,1,0,0,0,0|3,0,0]=4 947 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 22a_100000212003_100000070787 [0,1,0,0,0,0|3,0,0]=4 948 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 11a_100011218065_100015343762 [0,1,0,0,0,0|3,0,0]=4 949 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 1626a_100011218065_100015343762 [0,1,0,0,0,0|3,0,0]=4 950 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 22a_100011218065_100000070787 [0,1,0,0,0,0|3,0,0]=4 951 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000070787 [0,1,0,0,0,0|2,0,0]=3 952 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 271570a_203496583355_100011273303 [0,1,0,0,0,0|2,0,0]=3 953 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100103153847 [0,1,0,0,0,0|2,0,0]=3 954 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 11a_100000210722_100015343762 [0,1,0,0,0,0|3,0,0]=4 955 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 1626a_100000210722_100015343762 [0,1,0,0,0,0|3,0,0]=4 956 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 22a_100000210722_100000070787 [0,1,0,0,0,0|3,0,0]=4 957 B12R1.233 CC(=O)Nc1ccc(cc1F)C 11a_100000211023_100015343762 [0,1,0,0,0,0|3,0,0]=4 958 B12R1.233 CC(=O)Nc1ccc(cc1F)C 1626a_100000211023_100015343762 [0,1,0,0,0,0|3,0,0]=4 959 B12R1.233 CC(=O)Nc1ccc(cc1F)C 22a_100000211023_100000070787 [0,1,0,0,0,0|3,0,0]=4 960 B12R1.233 CC(=O)Nc1ccc(cc1F)C 527a_100000211023_100103153847 [0,1,0,0,0,0|3,0,0]=4 961 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 11a_100000211020_100015343762 [0,1,0,0,0,0|3,0,0]=4 962 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 1626a_100000211020_100015343762 [0,1,0,0,0,0|3,0,0]=4 963 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 22a_100000211020_100000070787 [0,1,0,0,0,0|3,0,0]=4 964 B12R1.233 CC(=O)Nc1ccc(cc1F)F 11a_100000210720_100015343762 [0,1,0,0,0,0|3,0,0]=4 965 B12R1.233 CC(=O)Nc1ccc(cc1F)F 1626a_100000210720_100015343762 [0,1,0,0,0,0|3,0,0]=4 966 B12R1.233 CC(=O)Nc1ccc(cc1F)F 22a_100000210720_100000070787 [0,1,0,0,0,0|3,0,0]=4 967 B12R1.233 CC(=O)Nc1ccc(cc1F)I 11a_100011215594_100015343762 [0,1,0,0,0,0|3,0,0]=4 968 B12R1.233 CC(=O)Nc1ccc(cc1F)I 1626a_100011215594_100015343762 [0,1,0,0,0,0|3,0,0]=4 969 B12R1.233 CC(=O)Nc1ccc(cc1F)I 22a_100011215594_100000070787 [0,1,0,0,0,0|3,0,0]=4 970 B12R1.233 CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000070787 [0,1,0,0,0,0|2,0,0]=3 971 B12R1.233 CC(=O)Nc1ccc(cc1F)O 271570a_203496583355_100000155584 [0,1,0,0,0,0|2,0,0]=3 972 B12R1.233 CC(=O)Nc1ccc(cc1F)O 527a_100000759473_100103153847 [0,1,0,0,0,0|2,0,0]=3 973 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 11a_100000187925_100015343762 [0,1,0,0,0,0|3,0,0]=4 974 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 1626a_100000187925_100015343762 [0,1,0,0,0,0|3,0,0]=4 975 B12R1.233 CC(=O)Nc1ccc(cc1I)C 11a_100011356834_100015343762 [0,1,0,0,0,0|3,0,0]=4 976 B12R1.233 CC(=O)Nc1ccc(cc1I)C 1626a_100011356834_100015343762 [0,1,0,0,0,0|3,0,0]=4 977 B12R1.233 CC(=O)Nc1ccc(cc1I)Cl 11a_100000761889_100015343762 [0,1,0,0,0,0|3,0,0]=4 978 B12R1.233 CC(=O)Nc1ccc(cc1I)Cl 1626a_100000761889_100015343762 [0,1,0,0,0,0|3,0,0]=4 979 B12R1.233 CC(=O)Nc1ccc(cc1I)F 11a_100000760547_100015343762 [0,1,0,0,0,0|3,0,0]=4 980 B12R1.233 CC(=O)Nc1ccc(cc1I)F 1626a_100000760547_100015343762 [0,1,0,0,0,0|3,0,0]=4 981 B12R1.233 CC(=O)Nc1ccc(cc1I)F 22a_100000760547_100000070787 [0,1,0,0,0,0|3,0,0]=4 982 B12R1.233 CC(=O)Nc1ccc(cc1I)I 11a_100010002754_100015343762 [0,1,0,0,0,0|3,0,0]=4 983 B12R1.233 CC(=O)Nc1ccc(cc1I)I 1626a_100010002754_100015343762 [0,1,0,0,0,0|3,0,0]=4 984 B12R1.233 CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000070787 [0,1,0,0,0,0|2,0,0]=3 985 B12R1.233 CC(=O)Nc1ccc(cc1I)O 527a_100010084370_100103153847 [0,1,0,0,0,0|2,0,0]=3 986 B12R1.233 CC(=O)Nc1ccc(cc1N)O 271570a_203496583355_100000749274 [0,1,0,0,0,0|2,0,0]=3 987 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000070787 [0,1,0,0,0,0|3,0,0]=4 988 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 271570a_203496583355_100009813020 [0,1,0,0,0,0|3,0,0]=4 989 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 527a_100000739049_100103153847 [0,1,0,0,0,0|3,0,0]=4 990 B12R1.233 CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000070787 [0,1,0,0,0,0|3,0,0]=4 991 B12R1.233 CC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152032 [0,1,0,0,0,0|3,0,0]=4 992 B12R1.233 CC(=O)Nc1ccc(cc1O)C 527a_100000211527_100103153847 [0,1,0,0,0,0|3,0,0]=4 993 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000070787 [0,1,0,0,0,0|3,0,0]=4 994 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100103153847 [0,1,0,0,0,0|3,0,0]=4 995 B12R1.233 CC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000070787 [0,1,0,0,0,0|3,0,0]=4 996 B12R1.233 CC(=O)Nc1ccc(cc1O)F 271570a_203496583355_100011215554 [0,1,0,0,0,0|3,0,0]=4 997 B12R1.233 CC(=O)Nc1ccc(cc1O)F 527a_100000753323_100103153847 [0,1,0,0,0,0|3,0,0]=4 998 B12R1.233 CC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000070787 [0,1,0,0,0,0|3,0,0]=4 999 B12R1.233 CC(=O)Nc1ccc(cc1O)I 527a_100000057187_100103153847 [0,1,0,0,0,0|3,0,0]=4 1000 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [0,1,0,0,0,0|2,0,0]=3 1001 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [0,1,0,0,0,0|2,0,0]=3 1002 B12R1.233 CC(=O)Nc1ncc(cc1C)O 271570a_203496583355_200011934169 [0,1,0,0,0,0|3,0,0]=4 1003 B12R1.233 CC(=O)Oc1ccc(cc1F)O 271570a_203496583355_100009811628 [0,1,0,0,0,0|2,0,0]=3 1004 B12R1.233 CN(C)Cc1ccc(cc1F)O 271570a_203496583355_100000174744 [0,1,0,0,0,0|3,0,0]=4 1005 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])Br 1458a_100000697930_200025704644 [0,1,0,0,0,0|2,0,0]=3 1006 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])F 1458a_100011667441_200025704644 [0,1,0,0,0,0|2,0,0]=3 1007 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [0,1,0,0,0,0|2,0,0]=3 1008 B12R1.233 Cc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000042674_200025704644 [0,1,0,0,0,0|2,0,0]=3 1009 B12R1.233 Cc1ccn(c(=O)c1)CC(=O)[13CH3] 1458a_100000721392_200025704644 [0,1,0,0,0,0|3,0,0]=4 1010 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200025704644 [0,1,0,0,0,0|2,0,0]=3 1011 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200025704644 [0,1,0,0,0,0|2,0,0]=3 1012 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200025704644 [0,1,0,0,0,0|2,0,0]=3 1013 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200025704644 [0,1,0,0,0,0|1,0,0]=2 1014 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200025704644 [0,1,0,0,0,0|2,0,0]=3 1015 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200025704644 [0,1,0,0,0,0|2,0,0]=3 1016 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200025704644 [0,1,0,0,0,0|2,0,0]=3 1017 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200025704644 [0,1,0,0,0,0|2,0,0]=3 1018 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200025704644 [0,1,0,0,0,0|2,0,0]=3 1019 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)F 1458a_100000684719_200025704644 [0,1,0,0,0,0|2,0,0]=3 1020 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)I 1458a_100010149628_200025704644 [0,1,0,0,0,0|2,0,0]=3 1021 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)O 1458a_100000090534_200025704644 [0,1,0,0,0,0|1,0,0]=2 1022 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200025704644 [0,1,0,0,0,0|2,0,0]=3 1023 B12R1.233 [13CH3]C(=O)Cc1ccc(nc1Cl)Cl 1458a_200010067290_200025704644 [0,1,0,0,0,0|3,0,0]=4 1024 B12R1.233 [13CH3]C(=O)Cc1ncc(cc1Br)Cl 1458a_200012351915_200025704644 [0,1,0,0,0,0|3,0,0]=4 1025 B12R1.233 [13CH3]C(=O)Cc1ncc(cc1F)Br 1458a_100012351917_200025704644 [0,1,0,0,0,0|3,0,0]=4 1026 B12R2.79 NC1CC1c2ccc(cc2)O 271570a_203496583355_100000755575 [0,0,0,1,0,0|2,0,1]=4 1027 B12R2.606 CN1Cc2ccc(cc2C1)O 2230a_100015195982_200000210301 [0,0,0,1,0,0|3,0,0]=4 1028 B12R2.606 CN1Cc2ccc(cc2C1)O 269982a_100015195982_200000210301 [0,0,0,1,0,0|3,0,0]=4 1029 B12R2.606 CN1Cc2ccc(cc2C1)O 34a_100015195982_200000210301 [0,0,0,1,0,0|3,0,0]=4 1030 B12R2.606 Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100011214893 [0,0,0,1,0,0|3,0,0]=4 1031 B12R2.606 Cc1cc2cc(ccc2s1)O 271570a_203496583355_100000695401 [0,0,0,1,0,0|3,0,0]=4 1032 B12R2.606 Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010196937 [0,0,0,1,0,0|2,0,1]=4 1033 B12R2.606 Cc1ccc2nc(sc2c1)O 271570a_203496583355_100010186437 [0,0,0,1,0,0|2,1,0]=4 1034 B12R2.606 Cc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100011264012 [0,0,0,1,0,0|3,0,0]=4 1035 B12R2.606 Cc1nc2cc(ccc2o1)O 271570a_203496583355_100009816932 [0,0,0,1,0,0|3,0,0]=4 1036 B12R2.606 Cc1nc2cc(ccc2s1)O 271570a_203496583355_100009813953 [0,0,0,1,0,0|3,0,0]=4 1037 B12R2.606 Cc1nc2ccc(cc2o1)O 271570a_203496583355_100010171164 [0,0,0,1,0,0|2,0,0]=3 1038 B12R2.606 Cc1nc2ccc(cc2s1)O 271570a_203496583355_100009813144 [0,0,0,1,0,0|2,1,0]=4 1039 B12R2.606 Cc1nc2ncc(cc2o1)O 271570a_203496583355_100010235748 [0,0,0,1,0,0|3,0,0]=4 1040 B12R2.606 NC1Cc2ccc(cc2C1)O 271570a_203496583355_100015193702 [0,0,0,1,0,0|2,0,1]=4 1041 B12R2.606 Nc1ccc2nc(sc2c1)O 271570a_203496583355_100010253933 [0,0,0,1,0,0|2,1,0]=4 1042 B12R2.606 Nc1ccc2sc(nc2c1)O 271570a_203496583355_100010329861 [0,0,0,1,0,0|3,0,0]=4 1043 B12R2.606 Nc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100000764686 [0,0,0,1,0,0|3,0,0]=4 1044 B12R2.606 Nc1nc2cc(ccc2o1)O 271570a_203496583355_100000737949 [0,0,0,1,0,0|3,0,0]=4 1045 B12R2.606 Nc1nc2cc(ccc2s1)O 271570a_203496583355_100011934045 [0,0,0,1,0,0|3,0,0]=4 1046 B12R2.606 Nc1nc2ccc(cc2o1)O 271570a_203496583355_100010000678 [0,0,0,1,0,0|2,0,0]=3 1047 B12R2.606 Nc1nc2ccc(cc2s1)O 271570a_203496583355_100102524914 [0,0,0,1,0,0|2,1,0]=4 1048 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [0,0,0,1,0,0|2,0,0]=3 1049 B12R2.606 O=C1Cc2cc(cnc2N1)O 271570a_203496583355_100010177629 [0,0,0,1,0,0|3,0,0]=4 1050 B12R2.606 O=C1Cc2cc(ncc2N1)O 271570a_203496583355_100000104063 [0,0,0,1,0,0|3,0,0]=4 1051 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [0,0,0,1,0,0|1,0,0]=2 1052 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [0,0,0,1,0,0|1,0,0]=2 1053 B12R2.606 O=C1Cc2ccc(nc2N1)O 271570a_203496583355_100000104062 [0,0,0,1,0,0|2,0,0]=3 1054 B12R2.606 O=C1Cc2cnc(cc2N1)O 271570a_203496583355_100000089690 [0,0,0,1,0,0|2,0,0]=3 1055 B12R2.606 O=C1Cc2cnc(nc2N1)O 271570a_203496583355_100000086852 [0,0,0,1,0,0|3,0,0]=4 1056 B12R2.606 O=C1Cc2nc(ccc2N1)O 271570a_203496583355_100000087150 [0,0,0,1,0,0|3,0,0]=4 1057 B12R2.606 O=C1Cc2ncc(cc2N1)O 271570a_203496583355_100010168558 [0,0,0,1,0,0|2,0,0]=3 1058 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [0,0,0,1,0,0|2,0,0]=3 1059 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [0,0,0,1,0,0|2,0,0]=3 1060 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [0,0,0,1,0,0|2,0,0]=3 1061 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [0,0,0,1,0,0|1,0,0]=2 1062 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [0,0,0,1,0,0|1,1,0]=3 1063 B12R2.606 O=c1[nH]c2ccc(nc2[nH]1)O 271570a_203496583355_100000084209 [0,0,0,1,0,0|3,0,0]=4 1064 B12R2.606 O=c1[nH]c2ncc(cc2o1)O 271570a_203496583355_100000721845 [0,0,0,1,0,0|2,0,0]=3 1065 B12R2.606 Oc1cc2[nH]c(nc2cn1)O 271570a_203496583355_100010516660 [0,0,0,1,0,0|3,0,0]=4 1066 B12R2.606 Oc1cc2cc(ccc2[nH]1)Br 271570a_203496583355_100011012855 [0,0,0,1,0,0|3,0,0]=4 1067 B12R2.606 Oc1cc2cc(ccc2s1)Br 271570a_203496583355_200010198765 [0,0,0,1,0,0|3,0,0]=4 1068 B12R2.606 Oc1ccc2c(c1)CC(C2)O 271570a_203496583355_100010161096 [0,0,0,1,0,0|1,0,1]=3 1069 B12R2.606 Oc1ccc2nc(sc2c1)Cl 271570a_203496583355_100010163703 [0,0,0,1,0,0|2,1,0]=4 1070 B12R2.606 Oc1ccc2nc(sc2c1)O 271570a_203496583355_100010063415 [0,0,0,1,0,0|1,1,0]=3 1071 B12R2.606 Oc1cnc2[nH]c(nc2c1)O 271570a_203496583355_100000755142 [0,0,0,1,0,0|3,0,0]=4 1072 B12R2.606 Oc1nc2cc(ccc2s1)F 271570a_203496583355_200010206605 [0,0,0,1,0,0|3,0,0]=4 1073 B12R2.606 Oc1nc2ccc(cc2s1)F 271570a_203496583355_100000751617 [0,0,0,1,0,0|2,1,0]=4 1074 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)O 2230a_100015195982_200025704644 [0,0,0,1,0,0|3,0,0]=4 1075 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)O 269982a_100015195982_200025704644 [0,0,0,1,0,0|3,0,0]=4 1076 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)O 34a_100015195982_200025704644 [0,0,0,1,0,0|3,0,0]=4 1077 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [0,0,0,0,1,0|3,0,0]=4 1078 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [0,0,0,0,1,0|3,0,0]=4 1079 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [0,0,0,0,1,0|3,0,0]=4 1080 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [0,0,0,0,1,0|3,0,0]=4 1081 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [0,0,0,0,1,0|3,0,0]=4 1082 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [0,0,0,0,1,0|2,0,0]=3 1083 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [0,0,0,0,1,0|2,0,0]=3 1084 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [0,0,0,0,1,0|3,0,0]=4 1085 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,0,0,0,1,0|2,0,0]=3 1086 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,0,0,0,1,0|2,0,0]=3 1087 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,0,0,0,1,0|2,0,0]=3 1088 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,0,0,0,1,0|2,0,0]=3 1089 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,0,0,0,1,0|2,0,0]=3 1090 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,0,0,0,1,0|1,0,0]=2 1091 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,0,0,0,1,0|1,0,0]=2 1092 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,0,0,0,1,0|2,0,0]=3 1093 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,0,0,0,1,0|2,0,0]=3 1094 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [0,0,0,0,1,0|3,0,0]=4 1095 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [0,0,0,0,1,0|3,0,0]=4 1096 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [0,0,0,0,1,0|3,0,0]=4 1097 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [0,0,0,0,1,0|2,0,1]=4 1098 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [0,0,0,0,1,0|1,0,1]=3 1099 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [0,0,0,0,1,0|2,0,1]=4 1100 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [0,0,0,0,1,0|2,0,1]=4 1101 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [0,0,0,0,1,0|3,0,0]=4 1102 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [0,0,0,0,1,0|3,0,0]=4 1103 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [0,0,0,0,1,0|3,0,0]=4 1104 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [0,0,0,0,1,0|3,0,0]=4 1105 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [0,0,0,0,1,0|3,0,0]=4 1106 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [0,0,0,0,1,0|2,0,0]=3 1107 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [0,0,0,0,1,0|2,0,1]=4 1108 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [0,0,0,0,1,0|2,0,1]=4 1109 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,0,0,0,1,0|2,0,0]=3 1110 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,0,0,0,1,0|1,0,0]=2 1111 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,0,0,0,1,0|2,0,0]=3 1112 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,0,0,0,1,0|2,0,0]=3 1113 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [0,0,0,0,1,0|3,0,0]=4 1114 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [0,0,0,0,1,0|3,0,0]=4 1115 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [0,0,0,0,1,0|3,0,0]=4 1116 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [0,0,0,0,1,0|1,0,1]=3 1117 B10R1.13 OB(O)c1ccc(cn1)O 271570a_203496583355_200010198023 [0,0,0,0,1,0|2,0,1]=4 1118 B10R1.13 OB(O)c1ccc(nc1)O 271570a_203496583355_100000688115 [0,0,0,0,1,0|2,0,1]=4 1119 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [0,0,0,0,1,0|2,0,1]=4 1120 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,0,0,0,1,0|2,0,0]=3 1121 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,0,0,0,1,0|2,0,0]=3 1122 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,0,0,0,1,0|2,0,0]=3 1123 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,0,0,0,1,0|2,0,0]=3 1124 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,0,0,0,1,0|1,0,0]=2 1125 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100000070787_100000746031 [0,0,0,0,1,0|3,0,0]=4 1126 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100011542370_200000210301 [0,0,0,0,1,0|3,0,0]=4 1127 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000070787_100000708592 [0,0,0,0,1,0|3,0,0]=4 1128 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000238643_200000210301 [0,0,0,0,1,0|3,0,0]=4 1129 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000070787_100000185097 [0,0,0,0,1,0|3,0,0]=4 1130 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_200000210301 [0,0,0,0,1,0|3,0,0]=4 1131 B10R1.54 CC(=O)Cn1cc(cn1)O 271570a_203496583355_100000763327 [0,0,0,0,1,0|3,0,0]=4 1132 B10R1.54 CC(=O)Nc1ccc(s1)O 271570a_203496583355_100010002808 [0,0,0,0,1,0|3,0,0]=4 1133 B10R1.54 [13CH3]C(=O)Cc1cc(cs1)Br 1458a_100011542370_200025704644 [0,0,0,0,1,0|3,0,0]=4 1134 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Br 1458a_100000238643_200025704644 [0,0,0,0,1,0|3,0,0]=4 1135 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Cl 1458a_100000238644_200025704644 [0,0,0,0,1,0|3,0,0]=4 1136 B12R1.21 C=C(C)CNc1ccc(cc1)Br 2230a_100000210018_100000748629 [0,0,0,0,0,1|3,0,0]=4 1137 B12R1.21 C=C(C)CNc1ccc(cc1)Br 34a_100000210018_100000748629 [0,0,0,0,0,1|3,0,0]=4 1138 B12R1.21 C=C(C)CNc1ccc(cc1)C 34a_100000124888_100000748629 [0,0,0,0,0,1|3,0,0]=4 1139 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748629 [0,0,0,0,0,1|3,0,0]=4 1140 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748629 [0,0,0,0,0,1|3,0,0]=4 1141 B12R1.21 C=C(C)CNc1ccc(cc1)F 34a_100000185862_100000748629 [0,0,0,0,0,1|3,0,0]=4 1142 B12R1.21 C=C(C)CNc1ccc(cc1)I 34a_100000185761_100000748629 [0,0,0,0,0,1|3,0,0]=4 1143 B12R1.21 C=C(C)CNc1ccc(cc1)O 34a_100000185829_100000748629 [0,0,0,0,0,1|2,0,0]=3 1144 B12R1.21 C=C(C)COc1ccc(cc1)Br 34a_100000185759_100000748629 [0,0,0,0,0,1|3,0,0]=4 1145 B12R1.21 C=C(C)COc1ccc(cc1)Br 7a_100000185759_100000748629 [0,0,0,0,0,1|3,0,0]=4 1146 B12R1.21 C=C(C)COc1ccc(cc1)C 34a_100000210336_100000748629 [0,0,0,0,0,1|3,0,0]=4 1147 B12R1.21 C=C(C)COc1ccc(cc1)C 7a_100000210336_100000748629 [0,0,0,0,0,1|3,0,0]=4 1148 B12R1.21 C=C(C)COc1ccc(cc1)Cl 34a_100000210216_100000748629 [0,0,0,0,0,1|3,0,0]=4 1149 B12R1.21 C=C(C)COc1ccc(cc1)Cl 7a_100000210216_100000748629 [0,0,0,0,0,1|3,0,0]=4 1150 B12R1.21 C=C(C)COc1ccc(cc1)F 34a_100000210339_100000748629 [0,0,0,0,0,1|3,0,0]=4 1151 B12R1.21 C=C(C)COc1ccc(cc1)I 34a_100000212066_100000748629 [0,0,0,0,0,1|3,0,0]=4 1152 B12R1.21 C=C(C)COc1ccc(cc1)I 7a_100000212066_100000748629 [0,0,0,0,0,1|3,0,0]=4 1153 B12R1.21 C=C(C)COc1ccc(cc1)N 34a_100000185829_100000748629 [0,0,0,0,0,1|3,0,0]=4 1154 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000748629_100000752885 [0,0,0,0,0,1|3,0,0]=4 1155 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000752885_100000211660 [0,0,0,0,0,1|3,0,0]=4 1156 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000186775_100000211660 [0,0,0,0,0,1|3,0,0]=4 1157 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000748629_100000186775 [0,0,0,0,0,1|3,0,0]=4 1158 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000748629_100000755918 [0,0,0,0,0,1|3,0,0]=4 1159 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000755918_100000211660 [0,0,0,0,0,1|3,0,0]=4 1160 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000211213_100000211660 [0,0,0,0,0,1|3,0,0]=4 1161 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000748629_100000211213 [0,0,0,0,0,1|3,0,0]=4 1162 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000185761_100000211660 [0,0,0,0,0,1|3,0,0]=4 1163 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000748629_100000185761 [0,0,0,0,0,1|3,0,0]=4 1164 B12R1.21 C=C(C)CSc1ccc(cc1)O 62a_100000748629_100000185759 [0,0,0,0,0,1|2,0,0]=3 1165 B12R1.21 C=C(C)CSc1ccc(cn1)O 62a_100000685995_100000211660 [0,0,0,0,0,1|3,0,0]=4 1166 B12R1.21 C=C(C)CSc1ccc(cn1)O 62a_100000748629_100000744096 [0,0,0,0,0,1|3,0,0]=4 1167 B12R1.21 C=C(F)CNc1ccc(cc1)Br 2230a_100000210018_100009893438 [0,0,0,0,0,1|3,0,0]=4 1168 B12R1.21 C=C(F)CNc1ccc(cc1)Br 34a_100000210018_100009893438 [0,0,0,0,0,1|3,0,0]=4 1169 B12R1.21 C=C(F)CNc1ccc(cc1)C 34a_100000124888_100009893438 [0,0,0,0,0,1|3,0,0]=4 1170 B12R1.21 C=C(F)CNc1ccc(cc1)Cl 2230a_100000210052_100009893438 [0,0,0,0,0,1|3,0,0]=4 1171 B12R1.21 C=C(F)CNc1ccc(cc1)Cl 34a_100000210052_100009893438 [0,0,0,0,0,1|3,0,0]=4 1172 B12R1.21 C=C(F)CNc1ccc(cc1)F 34a_100000185862_100009893438 [0,0,0,0,0,1|3,0,0]=4 1173 B12R1.21 C=C(F)CNc1ccc(cc1)I 34a_100000185761_100009893438 [0,0,0,0,0,1|3,0,0]=4 1174 B12R1.21 C=C(F)CNc1ccc(cc1)O 34a_100000185829_100009893438 [0,0,0,0,0,1|2,0,0]=3 1175 B12R1.21 C=C(F)COc1ccc(cc1)Br 34a_100000185759_100009893438 [0,0,0,0,0,1|3,0,0]=4 1176 B12R1.21 C=C(F)COc1ccc(cc1)Br 7a_100000185759_100000042424 [0,0,0,0,0,1|3,0,0]=4 1177 B12R1.21 C=C(F)COc1ccc(cc1)C 34a_100000210336_100009893438 [0,0,0,0,0,1|3,0,0]=4 1178 B12R1.21 C=C(F)COc1ccc(cc1)C 7a_100000210336_100000042424 [0,0,0,0,0,1|3,0,0]=4 1179 B12R1.21 C=C(F)COc1ccc(cc1)Cl 34a_100000210216_100009893438 [0,0,0,0,0,1|3,0,0]=4 1180 B12R1.21 C=C(F)COc1ccc(cc1)Cl 7a_100000210216_100000042424 [0,0,0,0,0,1|3,0,0]=4 1181 B12R1.21 C=C(F)COc1ccc(cc1)F 34a_100000210339_100009893438 [0,0,0,0,0,1|3,0,0]=4 1182 B12R1.21 C=C(F)COc1ccc(cc1)I 34a_100000212066_100009893438 [0,0,0,0,0,1|3,0,0]=4 1183 B12R1.21 C=C(F)COc1ccc(cc1)I 7a_100000212066_100000042424 [0,0,0,0,0,1|3,0,0]=4 1184 B12R1.21 C=C(F)COc1ccc(cc1)N 34a_100000185829_100009893438 [0,0,0,0,0,1|3,0,0]=4 1185 B12R1.21 C=C(F)CSc1ccc(cc1)Br 62a_100000042424_100000752885 [0,0,0,0,0,1|3,0,0]=4 1186 B12R1.21 C=C(F)CSc1ccc(cc1)Br 62a_100000752885_100000042424 [0,0,0,0,0,1|3,0,0]=4 1187 B12R1.21 C=C(F)CSc1ccc(cc1)C 62a_100000042424_100000186775 [0,0,0,0,0,1|3,0,0]=4 1188 B12R1.21 C=C(F)CSc1ccc(cc1)C 62a_100000186775_100000042424 [0,0,0,0,0,1|3,0,0]=4 1189 B12R1.21 C=C(F)CSc1ccc(cc1)Cl 62a_100000042424_100000755918 [0,0,0,0,0,1|3,0,0]=4 1190 B12R1.21 C=C(F)CSc1ccc(cc1)Cl 62a_100000755918_100000042424 [0,0,0,0,0,1|3,0,0]=4 1191 B12R1.21 C=C(F)CSc1ccc(cc1)F 62a_100000042424_100000211213 [0,0,0,0,0,1|3,0,0]=4 1192 B12R1.21 C=C(F)CSc1ccc(cc1)F 62a_100000211213_100000042424 [0,0,0,0,0,1|3,0,0]=4 1193 B12R1.21 C=C(F)CSc1ccc(cc1)N 62a_100000042424_100000185761 [0,0,0,0,0,1|3,0,0]=4 1194 B12R1.21 C=C(F)CSc1ccc(cc1)N 62a_100000185761_100000042424 [0,0,0,0,0,1|3,0,0]=4 1195 B12R1.21 C=C(F)CSc1ccc(cc1)O 62a_100000042424_100000185759 [0,0,0,0,0,1|2,0,0]=3 1196 B12R1.21 C=C(F)CSc1ccc(cn1)O 62a_100000042424_100000744096 [0,0,0,0,0,1|3,0,0]=4 1197 B12R1.21 C=C(F)CSc1ccc(cn1)O 62a_100000685995_100000042424 [0,0,0,0,0,1|3,0,0]=4 1198 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [0,0,0,0,0,1|1,0,1]=3 1199 B12R1.21 CC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200000210301 [0,0,0,0,0,1|2,0,1]=4 1200 B12R1.21 CC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200000210301 [0,0,0,0,0,1|2,0,1]=4 1201 B12R1.21 CC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200000210301 [0,0,0,0,0,1|2,0,1]=4 1202 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [0,0,0,0,0,1|2,0,1]=4 1203 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [0,0,0,0,0,1|2,0,1]=4 1204 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [0,0,0,0,0,1|2,0,1]=4 1205 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [0,0,0,0,0,1|2,0,1]=4 1206 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [0,0,0,0,0,1|2,0,1]=4 1207 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,0,0,0,0,1|2,0,0]=3 1208 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,0,0,0,0,1|2,0,0]=3 1209 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,0,0,0,0,1|2,0,0]=3 1210 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,0,0,0,0,1|2,0,0]=3 1211 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,0,0,0,0,1|2,0,0]=3 1212 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,0,0,0,0,1|2,0,0]=3 1213 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,0,0,0,0,1|2,0,0]=3 1214 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,0,0,0,0,1|2,0,0]=3 1215 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,0,0,0,0,1|2,0,0]=3 1216 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,0,0,0,0,1|1,0,0]=2 1217 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,0,0,0,0,1|1,0,0]=2 1218 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,0,0,0,0,1|1,0,0]=2 1219 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,0,0,0,0,1|2,0,0]=3 1220 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,0,0,0,0,1|2,0,0]=3 1221 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,0,0,0,0,1|2,0,0]=3 1222 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,0,0,0,0,1|2,0,0]=3 1223 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,0,0,0,0,1|2,0,0]=3 1224 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,0,0,0,0,1|1,0,0]=2 1225 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,0,0,0,0,1|2,0,0]=3 1226 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,0,0,0,0,1|2,0,0]=3 1227 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,0,0,0,0,1|2,0,0]=3 1228 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,0,0,0,0,1|2,0,0]=3 1229 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [0,0,0,0,0,1|2,0,0]=3 1230 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [0,0,0,0,0,1|2,0,0]=3 1231 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [0,0,0,0,0,1|2,0,0]=3 1232 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [0,0,0,0,0,1|2,0,0]=3 1233 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [0,0,0,0,0,1|2,0,0]=3 1234 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [0,0,0,0,0,1|2,0,0]=3 1235 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [0,0,0,0,0,1|2,0,0]=3 1236 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [0,0,0,0,0,1|2,0,0]=3 1237 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [0,0,0,0,0,1|2,0,0]=3 1238 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [0,0,0,0,0,1|2,0,0]=3 1239 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [0,0,0,0,0,1|2,0,0]=3 1240 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [0,0,0,0,0,1|2,0,0]=3 1241 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [0,0,0,0,0,1|2,0,0]=3 1242 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [0,0,0,0,0,1|2,0,0]=3 1243 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [0,0,0,0,0,1|2,0,0]=3 1244 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [0,0,0,0,0,1|2,0,0]=3 1245 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [0,0,0,0,0,1|2,0,0]=3 1246 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [0,0,0,0,0,1|2,0,0]=3 1247 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [0,0,0,0,0,1|2,0,0]=3 1248 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [0,0,0,0,0,1|2,0,0]=3 1249 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,0,0,0,0,1|1,0,0]=2 1250 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,0,0,0,0,1|1,0,0]=2 1251 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,0,0,0,0,1|1,0,0]=2 1252 B12R1.21 CC(=O)NCc1ccc(cn1)Br 11a_100015188789_100015343762 [0,0,0,0,0,1|3,0,0]=4 1253 B12R1.21 CC(=O)NCc1ccc(cn1)Br 1626a_100015188789_100015343762 [0,0,0,0,0,1|3,0,0]=4 1254 B12R1.21 CC(=O)NCc1ccc(cn1)Br 240690a_100015188789_100015343762 [0,0,0,0,0,1|3,0,0]=4 1255 B12R1.21 CC(=O)NCc1ccc(cn1)Br 527a_100015188789_100103153847 [0,0,0,0,0,1|3,0,0]=4 1256 B12R1.21 CC(=O)NCc1ccc(cn1)C 11a_100015187455_100015343762 [0,0,0,0,0,1|3,0,0]=4 1257 B12R1.21 CC(=O)NCc1ccc(cn1)C 1626a_100015187455_100015343762 [0,0,0,0,0,1|3,0,0]=4 1258 B12R1.21 CC(=O)NCc1ccc(cn1)C 240690a_100015187455_100015343762 [0,0,0,0,0,1|3,0,0]=4 1259 B12R1.21 CC(=O)NCc1ccc(cn1)C 527a_100015187455_100103153847 [0,0,0,0,0,1|3,0,0]=4 1260 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 11a_100000697193_100015343762 [0,0,0,0,0,1|3,0,0]=4 1261 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 1626a_100000697193_100015343762 [0,0,0,0,0,1|3,0,0]=4 1262 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 240690a_100000697193_100015343762 [0,0,0,0,0,1|3,0,0]=4 1263 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 527a_100000697193_100103153847 [0,0,0,0,0,1|3,0,0]=4 1264 B12R1.21 CC(=O)NCc1ccc(cn1)F 11a_100020620131_100015343762 [0,0,0,0,0,1|3,0,0]=4 1265 B12R1.21 CC(=O)NCc1ccc(cn1)F 1626a_100020620131_100015343762 [0,0,0,0,0,1|3,0,0]=4 1266 B12R1.21 CC(=O)NCc1ccc(cn1)F 240690a_100020620131_100015343762 [0,0,0,0,0,1|3,0,0]=4 1267 B12R1.21 CC(=O)NCc1ccc(cn1)F 527a_100020620131_100103153847 [0,0,0,0,0,1|3,0,0]=4 1268 B12R1.21 CC(=O)NCc1ccc(cn1)O 240690a_100020605196_100015343762 [0,0,0,0,0,1|2,0,0]=3 1269 B12R1.21 CC(=O)NCc1ccc(nc1)Br 11a_100009817727_100015343762 [0,0,0,0,0,1|3,0,0]=4 1270 B12R1.21 CC(=O)NCc1ccc(nc1)Br 240690a_100009817727_100015343762 [0,0,0,0,0,1|3,0,0]=4 1271 B12R1.21 CC(=O)NCc1ccc(nc1)Br 527a_100009817727_100103153847 [0,0,0,0,0,1|3,0,0]=4 1272 B12R1.21 CC(=O)NCc1ccc(nc1)C 11a_100000740942_100015343762 [0,0,0,0,0,1|3,0,0]=4 1273 B12R1.21 CC(=O)NCc1ccc(nc1)C 1626a_100000740942_100015343762 [0,0,0,0,0,1|3,0,0]=4 1274 B12R1.21 CC(=O)NCc1ccc(nc1)C 240690a_100000740942_100015343762 [0,0,0,0,0,1|3,0,0]=4 1275 B12R1.21 CC(=O)NCc1ccc(nc1)C 527a_100000740942_100103153847 [0,0,0,0,0,1|3,0,0]=4 1276 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 11a_100000735879_100015343762 [0,0,0,0,0,1|3,0,0]=4 1277 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 1626a_100000735879_100015343762 [0,0,0,0,0,1|3,0,0]=4 1278 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 240690a_100000735879_100015343762 [0,0,0,0,0,1|3,0,0]=4 1279 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 527a_100000735879_100103153847 [0,0,0,0,0,1|3,0,0]=4 1280 B12R1.21 CC(=O)NCc1ccc(nc1)F 11a_100000101913_100015343762 [0,0,0,0,0,1|3,0,0]=4 1281 B12R1.21 CC(=O)NCc1ccc(nc1)F 1626a_100000101913_100015343762 [0,0,0,0,0,1|3,0,0]=4 1282 B12R1.21 CC(=O)NCc1ccc(nc1)F 240690a_100000101913_100015343762 [0,0,0,0,0,1|3,0,0]=4 1283 B12R1.21 CC(=O)NCc1ccc(nc1)F 527a_100000101913_100103153847 [0,0,0,0,0,1|3,0,0]=4 1284 B12R1.21 CC(=O)NCc1ccc(nc1)O 11a_100000757128_100015343762 [0,0,0,0,0,1|2,0,0]=3 1285 B12R1.21 CC(=O)NCc1ccc(nc1)O 240690a_100000757128_100015343762 [0,0,0,0,0,1|2,0,0]=3 1286 B12R1.21 CC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000070787 [0,0,0,0,0,1|3,0,0]=4 1287 B12R1.21 CC(=O)NNc1ccc(cc1)C 22a_100000683527_100000070787 [0,0,0,0,0,1|3,0,0]=4 1288 B12R1.21 CC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000070787 [0,0,0,0,0,1|3,0,0]=4 1289 B12R1.21 CC(=O)NNc1ccc(cc1)F 22a_100000728448_100000070787 [0,0,0,0,0,1|3,0,0]=4 1290 B12R1.21 CC(=O)NNc1ccc(cc1)I 22a_100016988836_100000070787 [0,0,0,0,0,1|3,0,0]=4 1291 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [0,0,0,0,0,1|2,0,0]=3 1292 B12R1.21 CC(=O)NNc1ccc(cn1)O 271570a_203496583355_200010175596 [0,0,0,0,0,1|3,0,0]=4 1293 B12R1.21 CC(C)CNc1ccc(cc1)O 271570a_203496583355_200011231703 [0,0,0,0,0,1|2,0,1]=4 1294 B12R1.21 CC(C)CNc1ccc(cc1)O 34a_100000185829_100000210624 [0,0,0,0,0,1|2,0,1]=4 1295 B12R1.21 CC(C)COc1ccc(cc1)O 271570a_203496583355_200000169949 [0,0,0,0,0,1|2,0,1]=4 1296 B12R1.21 CC(C)CSc1ccc(cc1)O 62a_100000210624_100000185759 [0,0,0,0,0,1|2,0,1]=4 1297 B12R1.21 CC(C)NCc1ccc(cc1)O 271570a_203496583355_100000195760 [0,0,0,0,0,1|2,0,1]=4 1298 B12R1.21 CC(C)NCc1ccc(cc1)O 34a_100000185549_100000210206 [0,0,0,0,0,1|2,0,1]=4 1299 B12R1.21 CC(C)OCc1ccc(cc1)O 271570a_203496583355_100000758563 [0,0,0,0,0,1|2,0,1]=4 1300 B12R1.21 CC(C)SCc1ccc(cc1)O 271570a_203496583355_100000173087 [0,0,0,0,0,1|2,0,1]=4 1301 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [0,0,0,0,0,1|1,0,2]=4 1302 B12R1.21 CC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011218427 [0,0,0,0,0,1|2,0,1]=4 1303 B12R1.21 CC(O)CNc1ccc(cc1)Br 34a_100000210018_100011218427 [0,0,0,0,0,1|2,0,1]=4 1304 B12R1.21 CC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011218427 [0,0,0,0,0,1|2,0,1]=4 1305 B12R1.21 CC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011218427 [0,0,0,0,0,1|2,0,1]=4 1306 B12R1.21 CC(O)CNc1ccc(cc1)F 34a_100000185862_100011218427 [0,0,0,0,0,1|2,0,1]=4 1307 B12R1.21 CC(O)CNc1ccc(cc1)I 34a_100000185761_100011218427 [0,0,0,0,0,1|2,0,1]=4 1308 B12R1.21 CC(O)CNc1ccc(cc1)O 34a_100000185829_100011218427 [0,0,0,0,0,1|1,0,1]=3 1309 B12R1.21 CC(O)COc1ccc(cc1)Br 34a_100000185759_100011218427 [0,0,0,0,0,1|2,0,1]=4 1310 B12R1.21 CC(O)COc1ccc(cc1)Br 7a_100000185759_100011218427 [0,0,0,0,0,1|2,0,1]=4 1311 B12R1.21 CC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218427 [0,0,0,0,0,1|2,0,1]=4 1312 B12R1.21 CC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218427 [0,0,0,0,0,1|2,0,1]=4 1313 B12R1.21 CC(O)COc1ccc(cc1)F 34a_100000210339_100011218427 [0,0,0,0,0,1|2,0,1]=4 1314 B12R1.21 CC(O)COc1ccc(cc1)I 34a_100000212066_100011218427 [0,0,0,0,0,1|2,0,1]=4 1315 B12R1.21 CC(O)COc1ccc(cc1)I 7a_100000212066_100011218427 [0,0,0,0,0,1|2,0,1]=4 1316 B12R1.21 CC(O)COc1ccc(cc1)N 34a_100000185829_100011218427 [0,0,0,0,0,1|2,0,1]=4 1317 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100000752885_100011218427 [0,0,0,0,0,1|2,0,1]=4 1318 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100011218427_100000752885 [0,0,0,0,0,1|2,0,1]=4 1319 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011218427 [0,0,0,0,0,1|2,0,1]=4 1320 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100011218427_100000755918 [0,0,0,0,0,1|2,0,1]=4 1321 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100000211213_100011218427 [0,0,0,0,0,1|2,0,1]=4 1322 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100011218427_100000211213 [0,0,0,0,0,1|2,0,1]=4 1323 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100000185761_100011218427 [0,0,0,0,0,1|2,0,1]=4 1324 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100011218427_100000185761 [0,0,0,0,0,1|2,0,1]=4 1325 B12R1.21 CC(O)CSc1ccc(cc1)O 62a_100011218427_100000185759 [0,0,0,0,0,1|1,0,1]=3 1326 B12R1.21 CC(O)CSc1ccc(cn1)O 62a_100000685995_100011218427 [0,0,0,0,0,1|2,0,1]=4 1327 B12R1.21 CC(O)CSc1ccc(cn1)O 62a_100011218427_100000744096 [0,0,0,0,0,1|2,0,1]=4 1328 B12R1.21 CN(C)CCc1ccc(cc1)O 2230a_100016989440_200000210301 [0,0,0,0,0,1|3,0,0]=4 1329 B12R1.21 CN(C)CCc1ccc(cc1)O 2230a_100102631434_100009816426 [0,0,0,0,0,1|3,0,0]=4 1330 B12R1.21 CN(C)CCc1ccc(cc1)O 269982a_100016989440_200000210301 [0,0,0,0,0,1|3,0,0]=4 1331 B12R1.21 CN(C)CCc1ccc(cc1)O 269982a_100102631434_100009816426 [0,0,0,0,0,1|3,0,0]=4 1332 B12R1.21 CN(C)CCc1ccc(cc1)O 34a_100016989440_200000210301 [0,0,0,0,0,1|3,0,0]=4 1333 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 2230a_100016989440_200025704644 [0,0,0,0,0,1|3,0,0]=4 1334 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 269982a_100016989440_200025704644 [0,0,0,0,0,1|3,0,0]=4 1335 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 34a_100016989440_200025704644 [0,0,0,0,0,1|3,0,0]=4 1336 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 2230a_100000210018_100009817552 [0,0,0,0,0,1|2,0,1]=4 1337 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 34a_100000210018_100009817552 [0,0,0,0,0,1|2,0,1]=4 1338 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 2230a_100000210052_100009817552 [0,0,0,0,0,1|2,0,1]=4 1339 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 34a_100000210052_100009817552 [0,0,0,0,0,1|2,0,1]=4 1340 B12R1.21 C[C@@H](O)CNc1ccc(cc1)F 34a_100000185862_100009817552 [0,0,0,0,0,1|2,0,1]=4 1341 B12R1.21 C[C@@H](O)CNc1ccc(cc1)I 34a_100000185761_100009817552 [0,0,0,0,0,1|2,0,1]=4 1342 B12R1.21 C[C@@H](O)CNc1ccc(cc1)O 34a_100000185829_100009817552 [0,0,0,0,0,1|1,0,1]=3 1343 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 34a_100000185759_100009817552 [0,0,0,0,0,1|2,0,1]=4 1344 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 7a_100000185759_100009817552 [0,0,0,0,0,1|2,0,1]=4 1345 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009817552 [0,0,0,0,0,1|2,0,1]=4 1346 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009817552 [0,0,0,0,0,1|2,0,1]=4 1347 B12R1.21 C[C@@H](O)COc1ccc(cc1)F 34a_100000210339_100009817552 [0,0,0,0,0,1|2,0,1]=4 1348 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 34a_100000212066_100009817552 [0,0,0,0,0,1|2,0,1]=4 1349 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 7a_100000212066_100009817552 [0,0,0,0,0,1|2,0,1]=4 1350 B12R1.21 C[C@@H](O)COc1ccc(cc1)N 34a_100000185829_100009817552 [0,0,0,0,0,1|2,0,1]=4 1351 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100000752885_100009817552 [0,0,0,0,0,1|2,0,1]=4 1352 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100009817552_100000752885 [0,0,0,0,0,1|2,0,1]=4 1353 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100000755918_100009817552 [0,0,0,0,0,1|2,0,1]=4 1354 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100009817552_100000755918 [0,0,0,0,0,1|2,0,1]=4 1355 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100000211213_100009817552 [0,0,0,0,0,1|2,0,1]=4 1356 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100009817552_100000211213 [0,0,0,0,0,1|2,0,1]=4 1357 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100000185761_100009817552 [0,0,0,0,0,1|2,0,1]=4 1358 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100009817552_100000185761 [0,0,0,0,0,1|2,0,1]=4 1359 B12R1.21 C[C@@H](O)CSc1ccc(cc1)O 62a_100009817552_100000185759 [0,0,0,0,0,1|1,0,1]=3 1360 B12R1.21 C[C@@H](O)CSc1ccc(cn1)O 62a_100000685995_100009817552 [0,0,0,0,0,1|2,0,1]=4 1361 B12R1.21 C[C@@H](O)CSc1ccc(cn1)O 62a_100009817552_100000744096 [0,0,0,0,0,1|2,0,1]=4 1362 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [0,0,0,0,0,1|2,0,1]=4 1363 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,0,0,0,0,1|2,0,0]=3 1364 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [0,0,0,0,0,1|2,0,0]=3 1365 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [0,0,0,0,0,1|1,0,1]=3 1366 B12R1.21 Cc1ccc(cc1)NCC(C)O 34a_100000124888_100011218427 [0,0,0,0,0,1|2,0,1]=4 1367 B12R1.21 Cc1ccc(cc1)NC[C@@H](C)O 34a_100000124888_100009817552 [0,0,0,0,0,1|2,0,1]=4 1368 B12R1.21 Cc1ccc(cc1)NC[N+](=O)[O-] 34a_100000124888_100000761209 [0,0,0,0,0,1|2,0,1]=4 1369 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,0,0,0,0,1|2,0,0]=3 1370 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,0,0,0,0,1|2,0,0]=3 1371 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,0,0,0,0,1|2,0,0]=3 1372 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,0,0,0,0,1|1,0,1]=3 1373 B12R1.21 Cc1ccc(cc1)OCC(C)O 34a_100000210336_100011218427 [0,0,0,0,0,1|2,0,1]=4 1374 B12R1.21 Cc1ccc(cc1)OCC(C)O 7a_100000210336_100011218427 [0,0,0,0,0,1|2,0,1]=4 1375 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 34a_100000210336_100009817552 [0,0,0,0,0,1|2,0,1]=4 1376 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 7a_100000210336_100009817552 [0,0,0,0,0,1|2,0,1]=4 1377 B12R1.21 Cc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210336_100000761209 [0,0,0,0,0,1|2,0,1]=4 1378 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [0,0,0,0,0,1|2,0,0]=3 1379 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [0,0,0,0,0,1|2,0,0]=3 1380 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,0,0,0,0,1|2,0,0]=3 1381 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,0,0,0,0,1|1,0,1]=3 1382 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,0,0,0,0,1|1,0,1]=3 1383 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100000186775_100011218427 [0,0,0,0,0,1|2,0,1]=4 1384 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100011218427_100000186775 [0,0,0,0,0,1|2,0,1]=4 1385 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100000186775_100009817552 [0,0,0,0,0,1|2,0,1]=4 1386 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000186775 [0,0,0,0,0,1|2,0,1]=4 1387 B12R1.21 Cc1ccc(cc1)SC[N+](=O)[O-] 62a_100000186775_100000761209 [0,0,0,0,0,1|2,0,1]=4 1388 B12R1.21 Cc1ccc(cn1)OCC(=O)N 34a_100000745506_100000187820 [0,0,0,0,0,1|3,0,0]=4 1389 B12R1.21 Cc1ccc(cn1)OCC(=O)N 7a_100000745506_100000187820 [0,0,0,0,0,1|3,0,0]=4 1390 B12R1.21 Cc1ccc(cn1)OCC(=O)[O-] 34a_100000745506_100020667443 [0,0,0,0,0,1|2,0,1]=4 1391 B12R1.21 Cc1ccc(cn1)SCC(=O)N 62a_100000747473_100000751577 [0,0,0,0,0,1|3,0,0]=4 1392 B12R1.21 Cc1ccc(cn1)SCC(=O)N 62a_100000751577_100000747473 [0,0,0,0,0,1|3,0,0]=4 1393 B12R1.21 Cc1ccc(cn1)SCC(=O)[O-] 62a_100000751577_100020667443 [0,0,0,0,0,1|2,0,1]=4 1394 B12R1.21 Cc1ccc(cn1)SCC(=O)[O-] 62a_100020667443_100000751577 [0,0,0,0,0,1|2,0,1]=4 1395 B12R1.21 Cc1ccc(nc1)OCC(=O)N 34a_100000759353_100000187820 [0,0,0,0,0,1|3,0,0]=4 1396 B12R1.21 Cc1ccc(nc1)OCC(=O)[O-] 34a_100000759353_100020667443 [0,0,0,0,0,1|2,0,1]=4 1397 B12R1.21 Cc1ccc(nc1)SCC(=O)N 62a_100000747473_100000754016 [0,0,0,0,0,1|3,0,0]=4 1398 B12R1.21 Cc1ccc(nc1)SCC(=O)N 62a_100011192072_100000747473 [0,0,0,0,0,1|3,0,0]=4 1399 B12R1.21 Cc1ccc(nc1)SCC(=O)[O-] 62a_100011192072_100020667443 [0,0,0,0,0,1|2,0,1]=4 1400 B12R1.21 Cc1ccc(nc1)SCC(=O)[O-] 62a_100020667443_100000754016 [0,0,0,0,0,1|2,0,1]=4 1401 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,0,0,0,0,1|1,0,0]=2 1402 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [0,0,0,0,0,1|2,0,0]=3 1403 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [0,0,0,0,0,1|2,0,0]=3 1404 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [0,0,0,0,0,1|2,0,0]=3 1405 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [0,0,0,0,0,1|2,0,0]=3 1406 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [0,0,0,0,0,1|2,0,0]=3 1407 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [0,0,0,0,0,1|2,0,0]=3 1408 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,0,0,0,0,1|1,0,0]=2 1409 B12R1.21 NC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000187820 [0,0,0,0,0,1|2,0,1]=4 1410 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,0,0,0,0,1|2,0,0]=3 1411 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,0,0,0,0,1|2,0,0]=3 1412 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,0,0,0,0,1|2,0,0]=3 1413 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,0,0,0,0,1|2,0,0]=3 1414 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,0,0,0,0,1|2,0,0]=3 1415 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,0,0,0,0,1|2,0,0]=3 1416 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,0,0,0,0,1|2,0,0]=3 1417 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,0,0,0,0,1|2,0,0]=3 1418 B12R1.21 NC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000187820 [0,0,0,0,0,1|3,0,0]=4 1419 B12R1.21 NC(=O)COc1ccc(cn1)F 34a_100000742473_100000187820 [0,0,0,0,0,1|3,0,0]=4 1420 B12R1.21 NC(=O)COc1ccc(cn1)N 34a_100000729260_100000187820 [0,0,0,0,0,1|3,0,0]=4 1421 B12R1.21 NC(=O)COc1ccc(nc1)Br 34a_100000685995_100000187820 [0,0,0,0,0,1|3,0,0]=4 1422 B12R1.21 NC(=O)COc1ccc(nc1)Br 7a_100000685995_100000187820 [0,0,0,0,0,1|3,0,0]=4 1423 B12R1.21 NC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000187820 [0,0,0,0,0,1|3,0,0]=4 1424 B12R1.21 NC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000187820 [0,0,0,0,0,1|3,0,0]=4 1425 B12R1.21 NC(=O)COc1ccc(nc1)F 34a_100000688820_100000187820 [0,0,0,0,0,1|3,0,0]=4 1426 B12R1.21 NC(=O)COc1ccc(nc1)F 7a_100000688820_100000187820 [0,0,0,0,0,1|3,0,0]=4 1427 B12R1.21 NC(=O)COc1ccc(nc1)I 34a_100000687607_100000187820 [0,0,0,0,0,1|3,0,0]=4 1428 B12R1.21 NC(=O)COc1ccc(nc1)I 7a_100000687607_100000187820 [0,0,0,0,0,1|3,0,0]=4 1429 B12R1.21 NC(=O)COc1ccc(nc1)N 34a_100015188713_100000187820 [0,0,0,0,0,1|3,0,0]=4 1430 B12R1.21 NC(=O)COc1ccc(nc1)N 7a_100015188713_100000187820 [0,0,0,0,0,1|3,0,0]=4 1431 B12R1.21 NC(=O)CSc1cc[n+](cc1)[O-] 62a_100000747473_100000039755 [0,0,0,0,0,1|2,0,1]=4 1432 B12R1.21 NC(=O)CSc1ccc(=O)[nH]c1 62a_100000212171_100000747473 [0,0,0,0,0,1|2,0,1]=4 1433 B12R1.21 NC(=O)CSc1ccc(=O)[nH]c1 62a_100000747473_100000212171 [0,0,0,0,0,1|2,0,1]=4 1434 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [0,0,0,0,0,1|2,0,0]=3 1435 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [0,0,0,0,0,1|2,0,0]=3 1436 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,0,0,0,0,1|2,0,0]=3 1437 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,0,0,0,0,1|2,0,0]=3 1438 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [0,0,0,0,0,1|2,0,0]=3 1439 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [0,0,0,0,0,1|2,0,0]=3 1440 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [0,0,0,0,0,1|2,0,0]=3 1441 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [0,0,0,0,0,1|2,0,0]=3 1442 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,0,0,0,0,1|1,0,0]=2 1443 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,0,0,0,0,1|1,0,0]=2 1444 B12R1.21 NC(=O)CSc1ccc(cn1)Br 62a_100000686858_100000747473 [0,0,0,0,0,1|3,0,0]=4 1445 B12R1.21 NC(=O)CSc1ccc(cn1)Br 62a_100000747473_100000686858 [0,0,0,0,0,1|3,0,0]=4 1446 B12R1.21 NC(=O)CSc1ccc(cn1)Cl 62a_100000747473_100011356976 [0,0,0,0,0,1|3,0,0]=4 1447 B12R1.21 NC(=O)CSc1ccc(cn1)Cl 62a_100011356976_100000747473 [0,0,0,0,0,1|3,0,0]=4 1448 B12R1.21 NC(=O)CSc1ccc(cn1)F 62a_100000744514_100000747473 [0,0,0,0,0,1|3,0,0]=4 1449 B12R1.21 NC(=O)CSc1ccc(cn1)F 62a_100000747473_100000744514 [0,0,0,0,0,1|3,0,0]=4 1450 B12R1.21 NC(=O)CSc1ccc(cn1)N 62a_100000737798_100000747473 [0,0,0,0,0,1|3,0,0]=4 1451 B12R1.21 NC(=O)CSc1ccc(cn1)N 62a_100000747473_100000737798 [0,0,0,0,0,1|3,0,0]=4 1452 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000685995_100000747473 [0,0,0,0,0,1|2,0,0]=3 1453 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000747473_100000744096 [0,0,0,0,0,1|2,0,0]=3 1454 B12R1.21 NC(=O)CSc1ccc(nc1)Br 62a_100000747473_100009814638 [0,0,0,0,0,1|3,0,0]=4 1455 B12R1.21 NC(=O)CSc1ccc(nc1)Br 62a_100009814638_100000747473 [0,0,0,0,0,1|3,0,0]=4 1456 B12R1.21 NC(=O)CSc1ccc(nc1)Cl 62a_100000034144_100000747473 [0,0,0,0,0,1|3,0,0]=4 1457 B12R1.21 NC(=O)CSc1ccc(nc1)Cl 62a_100000747473_100000034144 [0,0,0,0,0,1|3,0,0]=4 1458 B12R1.21 NC(=O)CSc1ccc(nc1)F 62a_100000042367_100000747473 [0,0,0,0,0,1|3,0,0]=4 1459 B12R1.21 NC(=O)CSc1ccc(nc1)F 62a_100000747473_100000042367 [0,0,0,0,0,1|3,0,0]=4 1460 B12R1.21 NC(=O)CSc1ccc(nc1)N 62a_100000187370_100000747473 [0,0,0,0,0,1|3,0,0]=4 1461 B12R1.21 NC(=O)CSc1ccc(nc1)N 62a_100000747473_100000187370 [0,0,0,0,0,1|3,0,0]=4 1462 B12R1.21 NC(=O)CSc1cnc(cn1)O 62a_100000747473_100015839800 [0,0,0,0,0,1|3,0,0]=4 1463 B12R1.21 NC(=O)CSc1cnc(cn1)O 62a_100011934580_100000747473 [0,0,0,0,0,1|3,0,0]=4 1464 B12R1.21 NC(=O)CSc1ncc(cn1)O 62a_100000730009_100000747473 [0,0,0,0,0,1|3,0,0]=4 1465 B12R1.21 NC(=O)CSc1ncc(cn1)O 62a_100000747473_100000092845 [0,0,0,0,0,1|3,0,0]=4 1466 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,0,0,0,0,1|1,0,1]=3 1467 B12R1.21 Nc1ccc(cc1)OC[N+](=O)[O-] 34a_100000185829_100000761209 [0,0,0,0,0,1|2,0,1]=4 1468 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,0,0,0,0,1|1,0,1]=3 1469 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,0,0,0,0,1|1,0,1]=3 1470 B12R1.21 Nc1ccc(cc1)SC[N+](=O)[O-] 62a_100000185761_100000761209 [0,0,0,0,0,1|2,0,1]=4 1471 B12R1.21 Nc1ccc(cn1)OCC(=O)[O-] 34a_100015188713_100020667443 [0,0,0,0,0,1|2,0,1]=4 1472 B12R1.21 Nc1ccc(cn1)SCC(=O)[O-] 62a_100000187370_100020667443 [0,0,0,0,0,1|2,0,1]=4 1473 B12R1.21 Nc1ccc(cn1)SCC(=O)[O-] 62a_100020667443_100000187370 [0,0,0,0,0,1|2,0,1]=4 1474 B12R1.21 Nc1ccc(nc1)OCC(=O)[O-] 34a_100000729260_100020667443 [0,0,0,0,0,1|2,0,1]=4 1475 B12R1.21 Nc1ccc(nc1)SCC(=O)[O-] 62a_100000737798_100020667443 [0,0,0,0,0,1|2,0,1]=4 1476 B12R1.21 Nc1ccc(nc1)SCC(=O)[O-] 62a_100020667443_100000737798 [0,0,0,0,0,1|2,0,1]=4 1477 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [0,0,0,0,0,1|1,0,1]=3 1478 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,0,0,0,0,1|1,0,1]=3 1479 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [0,0,0,0,0,1|1,0,1]=3 1480 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [0,0,0,0,0,1|1,0,1]=3 1481 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,0,0,0,0,1|0,0,1]=2 1482 B12R1.21 O=C([O-])COc1ccc(=O)[nH]c1 34a_100000075641_100020667443 [0,0,0,0,0,1|1,0,2]=4 1483 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,0,0,0,0,1|1,0,1]=3 1484 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,0,0,0,0,1|1,0,1]=3 1485 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,0,0,0,0,1|1,0,1]=3 1486 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,0,0,0,0,1|1,0,1]=3 1487 B12R1.21 O=C([O-])COc1ccc(cn1)Cl 34a_100011215309_100020667443 [0,0,0,0,0,1|2,0,1]=4 1488 B12R1.21 O=C([O-])COc1ccc(cn1)F 34a_100000742473_100020667443 [0,0,0,0,0,1|2,0,1]=4 1489 B12R1.21 O=C([O-])COc1ccc(nc1)Br 34a_100000685995_100020667443 [0,0,0,0,0,1|2,0,1]=4 1490 B12R1.21 O=C([O-])COc1ccc(nc1)Cl 34a_100000744096_100020667443 [0,0,0,0,0,1|2,0,1]=4 1491 B12R1.21 O=C([O-])COc1ccc(nc1)F 34a_100000688820_100020667443 [0,0,0,0,0,1|2,0,1]=4 1492 B12R1.21 O=C([O-])COc1ccc(nc1)I 34a_100000687607_100020667443 [0,0,0,0,0,1|2,0,1]=4 1493 B12R1.21 O=C([O-])CSc1cc[n+](cc1)[O-] 62a_100020667443_100000039755 [0,0,0,0,0,1|1,0,2]=4 1494 B12R1.21 O=C([O-])CSc1ccc(=O)[nH]c1 62a_100000212171_100020667443 [0,0,0,0,0,1|1,0,2]=4 1495 B12R1.21 O=C([O-])CSc1ccc(=O)[nH]c1 62a_100020667443_100000212171 [0,0,0,0,0,1|1,0,2]=4 1496 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,0,0,0,0,1|1,0,1]=3 1497 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,0,0,0,0,1|1,0,1]=3 1498 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,0,0,0,0,1|1,0,1]=3 1499 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,0,0,0,0,1|1,0,1]=3 1500 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,0,0,0,0,1|1,0,1]=3 1501 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,0,0,0,0,1|1,0,1]=3 1502 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,0,0,0,0,1|0,0,1]=2 1503 B12R1.21 O=C([O-])CSc1ccc(cn1)Br 62a_100000686858_100020667443 [0,0,0,0,0,1|2,0,1]=4 1504 B12R1.21 O=C([O-])CSc1ccc(cn1)Br 62a_100020667443_100000686858 [0,0,0,0,0,1|2,0,1]=4 1505 B12R1.21 O=C([O-])CSc1ccc(cn1)Cl 62a_100011356976_100020667443 [0,0,0,0,0,1|2,0,1]=4 1506 B12R1.21 O=C([O-])CSc1ccc(cn1)Cl 62a_100020667443_100011356976 [0,0,0,0,0,1|2,0,1]=4 1507 B12R1.21 O=C([O-])CSc1ccc(cn1)F 62a_100000744514_100020667443 [0,0,0,0,0,1|2,0,1]=4 1508 B12R1.21 O=C([O-])CSc1ccc(cn1)F 62a_100020667443_100000744514 [0,0,0,0,0,1|2,0,1]=4 1509 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100000685995_100020667443 [0,0,0,0,0,1|1,0,1]=3 1510 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100020667443_100000744096 [0,0,0,0,0,1|1,0,1]=3 1511 B12R1.21 O=C([O-])CSc1ccc(nc1)Br 62a_100009814638_100020667443 [0,0,0,0,0,1|2,0,1]=4 1512 B12R1.21 O=C([O-])CSc1ccc(nc1)Br 62a_100020667443_100009814638 [0,0,0,0,0,1|2,0,1]=4 1513 B12R1.21 O=C([O-])CSc1ccc(nc1)Cl 62a_100000034144_100020667443 [0,0,0,0,0,1|2,0,1]=4 1514 B12R1.21 O=C([O-])CSc1ccc(nc1)Cl 62a_100020667443_100000034144 [0,0,0,0,0,1|2,0,1]=4 1515 B12R1.21 O=C([O-])CSc1ccc(nc1)F 62a_100000042367_100020667443 [0,0,0,0,0,1|2,0,1]=4 1516 B12R1.21 O=C([O-])CSc1ccc(nc1)F 62a_100020667443_100000042367 [0,0,0,0,0,1|2,0,1]=4 1517 B12R1.21 O=C([O-])CSc1cnc(cn1)O 62a_100011934580_100020667443 [0,0,0,0,0,1|2,0,1]=4 1518 B12R1.21 O=C([O-])CSc1cnc(cn1)O 62a_100020667443_100015839800 [0,0,0,0,0,1|2,0,1]=4 1519 B12R1.21 O=C([O-])CSc1ncc(cn1)O 62a_100000730009_100020667443 [0,0,0,0,0,1|2,0,1]=4 1520 B12R1.21 O=C([O-])CSc1ncc(cn1)O 62a_100020667443_100000092845 [0,0,0,0,0,1|2,0,1]=4 1521 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)Br 34a_100000210018_100000761209 [0,0,0,0,0,1|2,0,1]=4 1522 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)Cl 34a_100000210052_100000761209 [0,0,0,0,0,1|2,0,1]=4 1523 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)F 34a_100000185862_100000761209 [0,0,0,0,0,1|2,0,1]=4 1524 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)I 34a_100000185761_100000761209 [0,0,0,0,0,1|2,0,1]=4 1525 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)O 34a_100000185829_100000761209 [0,0,0,0,0,1|1,0,1]=3 1526 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Br 34a_100000185759_100000761209 [0,0,0,0,0,1|2,0,1]=4 1527 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Cl 34a_100000210216_100000761209 [0,0,0,0,0,1|2,0,1]=4 1528 B12R1.21 O=[N+]([O-])COc1ccc(cc1)F 34a_100000210339_100000761209 [0,0,0,0,0,1|2,0,1]=4 1529 B12R1.21 O=[N+]([O-])COc1ccc(cc1)I 34a_100000212066_100000761209 [0,0,0,0,0,1|2,0,1]=4 1530 B12R1.21 O=[N+]([O-])CSc1ccc(cc1)Br 62a_100000752885_100000761209 [0,0,0,0,0,1|2,0,1]=4 1531 B12R1.21 O=[N+]([O-])CSc1ccc(cc1)Cl 62a_100000755918_100000761209 [0,0,0,0,0,1|2,0,1]=4 1532 B12R1.21 O=[N+]([O-])CSc1ccc(cc1)F 62a_100000211213_100000761209 [0,0,0,0,0,1|2,0,1]=4 1533 B12R1.21 O=[N+]([O-])CSc1ccc(cn1)O 62a_100000685995_100000761209 [0,0,0,0,0,1|2,0,1]=4 1534 B12R1.21 Oc1ccc(cc1)NCC(F)F 34a_100000185829_100011934356 [0,0,0,0,0,1|2,0,1]=4 1535 B12R1.21 Oc1ccc(cc1)SCC(F)F 62a_100011934356_100000185759 [0,0,0,0,0,1|2,0,1]=4 1536 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200025704644 [0,0,0,0,0,1|2,0,1]=4 1537 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200025704644 [0,0,0,0,0,1|2,0,1]=4 1538 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200025704644 [0,0,0,0,0,1|2,0,1]=4 1539 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [0,0,0,0,0,1|2,0,1]=4 1540 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [0,0,0,0,0,1|2,0,1]=4 1541 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [0,0,0,0,0,1|2,0,1]=4 1542 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [0,0,0,0,0,1|2,0,1]=4 1543 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,0,0,0,0,1|2,0,0]=3 1544 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,0,0,0,0,1|2,0,0]=3 1545 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,0,0,0,0,1|2,0,0]=3 1546 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,0,0,0,0,1|2,0,0]=3 1547 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,0,0,0,0,1|1,0,0]=2 1548 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,0,0,0,0,1|2,0,0]=3 1549 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,0,0,0,0,1|2,0,0]=3 1550 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,0,0,0,0,1|2,0,0]=3 1551 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,0,0,0,0,1|2,0,0]=3 1552 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,0,0,0,0,1|1,0,0]=2 1553 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,0,0,0,0,1|2,0,0]=3 1554 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,0,0,0,0,1|2,0,0]=3 1555 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,0,0,0,0,1|2,0,0]=3 1556 B9R0.4 C=CC=CC(=O)CC(=O)N 1458a_100016291481_100000187820 [1,0,1,0,0,0|2,0,0]=4 1557 B9R0.4 C=CC=CC(=O)CC(=O)[O-] 1458a_100016291481_100020667443 [1,0,1,0,0,0|1,0,1]=4 1558 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [2,0,0,0,0,0|1,0,1]=4 1559 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [2,0,0,0,0,0|1,0,1]=4 1560 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [2,0,0,0,0,0|1,0,1]=4 1561 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [2,0,0,0,0,0|1,0,1]=4 1562 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [2,0,0,0,0,0|1,0,1]=4 1563 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,0,0,0,0,0|0,0,1]=3 1564 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [2,0,0,0,0,0|1,0,1]=4 1565 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,0,0,0,0,0|0,0,1]=3 1566 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [2,0,0,0,0,0|1,0,1]=4 1567 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [2,0,0,0,0,0|1,0,1]=4 1568 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,0,0,0,0,0|1,0,1]=4 1569 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,0,0,0,0,0|1,0,1]=4 1570 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,0,0,0,0,0|1,0,1]=4 1571 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,0,0,0,0,0|1,0,1]=4 1572 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,0,0,0,0,0|1,0,1]=4 1573 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [2,0,0,0,0,0|1,0,1]=4 1574 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [2,0,0,0,0,0|1,0,0]=3 1575 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [2,0,0,0,0,0|2,0,0]=4 1576 B9R1.1 NCc1ccc(nc1)O 271570a_203496583355_100009817727 [2,0,0,0,0,0|2,0,0]=4 1577 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [2,0,0,0,0,0|2,0,0]=4 1578 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,0,0,0,0,0|0,0,0]=2 1579 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [2,0,0,0,0,0|1,0,0]=3 1580 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [2,0,0,0,0,0|1,0,0]=3 1581 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [2,0,0,0,0,0|2,0,0]=4 1582 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [2,0,0,0,0,0|2,0,0]=4 1583 B9R1.1 O=Cc1cnc(nc1)O 271570a_203496583355_100000070856 [2,0,0,0,0,0|2,0,0]=4 1584 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,0,0,0,0,0|0,0,0]=2 1585 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [2,0,0,0,0,0|1,0,0]=3 1586 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [2,0,0,0,0,0|1,0,0]=3 1587 B9R1.1 OCc1cnc(cn1)O 271570a_203496583355_100012002382 [2,0,0,0,0,0|2,0,0]=4 1588 B9R1.1 OCc1cnc(nc1)O 271570a_203496583355_100009855073 [2,0,0,0,0,0|2,0,0]=4 1589 B9R1.1 OCc1ncc(cn1)O 271570a_203496583355_100009867226 [2,0,0,0,0,0|2,0,0]=4 1590 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [2,0,0,0,0,0|1,0,0]=3 1591 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,0,0,0,0,0|1,0,1]=4 1592 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,0,0,0,0,0|1,0,1]=4 1593 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|1,0,1]=4 1594 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|2,0,0]=4 1595 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|2,0,0]=4 1596 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|2,0,0]=4 1597 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|2,0,0]=4 1598 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|2,0,0]=4 1599 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|2,0,0]=4 1600 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|2,0,0]=4 1601 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 1602 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|2,0,0]=4 1603 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 1604 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|2,0,0]=4 1605 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|2,0,0]=4 1606 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|2,0,0]=4 1607 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|2,0,0]=4 1608 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 1609 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 1610 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|2,0,0]=4 1611 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|2,0,0]=4 1612 B11R1.1 C#CCNc1ccc(cc1)O 34a_100000185829_100000184674 [1,1,0,0,0,0|1,0,1]=4 1613 B11R1.1 C#CCSc1ccc(cc1)O 62a_100000038162_100000185759 [1,1,0,0,0,0|1,0,1]=4 1614 B11R1.1 C=CCNc1ccc(cc1)Br 2230a_100000210018_100000210623 [1,1,0,0,0,0|2,0,0]=4 1615 B11R1.1 C=CCNc1ccc(cc1)Br 34a_100000210018_100015514636 [1,1,0,0,0,0|2,0,0]=4 1616 B11R1.1 C=CCNc1ccc(cc1)C 34a_100000124888_100015514636 [1,1,0,0,0,0|2,0,0]=4 1617 B11R1.1 C=CCNc1ccc(cc1)Cl 2230a_100000210052_100000210623 [1,1,0,0,0,0|2,0,0]=4 1618 B11R1.1 C=CCNc1ccc(cc1)Cl 34a_100000210052_100015514636 [1,1,0,0,0,0|2,0,0]=4 1619 B11R1.1 C=CCNc1ccc(cc1)F 34a_100000185862_100015514636 [1,1,0,0,0,0|2,0,0]=4 1620 B11R1.1 C=CCNc1ccc(cc1)I 34a_100000185761_100015514636 [1,1,0,0,0,0|2,0,0]=4 1621 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [1,1,0,0,0,0|1,0,0]=3 1622 B11R1.1 C=CCOc1ccc(cc1)Br 34a_100000185759_100015514636 [1,1,0,0,0,0|2,0,0]=4 1623 B11R1.1 C=CCOc1ccc(cc1)Br 7a_100000185759_100015514636 [1,1,0,0,0,0|2,0,0]=4 1624 B11R1.1 C=CCOc1ccc(cc1)C 34a_100000210336_100015514636 [1,1,0,0,0,0|2,0,0]=4 1625 B11R1.1 C=CCOc1ccc(cc1)C 7a_100000210336_100015514636 [1,1,0,0,0,0|2,0,0]=4 1626 B11R1.1 C=CCOc1ccc(cc1)Cl 34a_100000210216_100015514636 [1,1,0,0,0,0|2,0,0]=4 1627 B11R1.1 C=CCOc1ccc(cc1)Cl 7a_100000210216_100015514636 [1,1,0,0,0,0|2,0,0]=4 1628 B11R1.1 C=CCOc1ccc(cc1)F 34a_100000210339_100015514636 [1,1,0,0,0,0|2,0,0]=4 1629 B11R1.1 C=CCOc1ccc(cc1)I 34a_100000212066_100015514636 [1,1,0,0,0,0|2,0,0]=4 1630 B11R1.1 C=CCOc1ccc(cc1)I 7a_100000212066_100015514636 [1,1,0,0,0,0|2,0,0]=4 1631 B11R1.1 C=CCOc1ccc(cc1)N 34a_100000185829_100015514636 [1,1,0,0,0,0|2,0,0]=4 1632 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [1,1,0,0,0,0|1,0,0]=3 1633 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000210623_100000752885 [1,1,0,0,0,0|2,0,0]=4 1634 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000752885_100000210623 [1,1,0,0,0,0|2,0,0]=4 1635 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000186775_100000210623 [1,1,0,0,0,0|2,0,0]=4 1636 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000210623_100000186775 [1,1,0,0,0,0|2,0,0]=4 1637 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000210623_100000755918 [1,1,0,0,0,0|2,0,0]=4 1638 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000755918_100000210623 [1,1,0,0,0,0|2,0,0]=4 1639 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000210623_100000211213 [1,1,0,0,0,0|2,0,0]=4 1640 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000211213_100000210623 [1,1,0,0,0,0|2,0,0]=4 1641 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000185761_100000210623 [1,1,0,0,0,0|2,0,0]=4 1642 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000210623_100000185761 [1,1,0,0,0,0|2,0,0]=4 1643 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [1,1,0,0,0,0|1,0,0]=3 1644 B11R1.1 C=CCSc1ccc(cn1)O 62a_100000210623_100000744096 [1,1,0,0,0,0|2,0,0]=4 1645 B11R1.1 C=CCSc1ccc(cn1)O 62a_100000685995_100000210623 [1,1,0,0,0,0|2,0,0]=4 1646 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [1,1,0,0,0,0|1,0,1]=4 1647 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [1,1,0,0,0,0|1,0,1]=4 1648 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [1,1,0,0,0,0|1,0,1]=4 1649 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [1,1,0,0,0,0|1,0,1]=4 1650 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [1,1,0,0,0,0|1,0,1]=4 1651 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [1,1,0,0,0,0|1,0,1]=4 1652 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [1,1,0,0,0,0|1,0,1]=4 1653 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [1,1,0,0,0,0|1,0,1]=4 1654 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [1,1,0,0,0,0|1,0,1]=4 1655 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [1,1,0,0,0,0|1,0,1]=4 1656 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [1,1,0,0,0,0|1,0,1]=4 1657 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [1,1,0,0,0,0|1,0,1]=4 1658 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [1,1,0,0,0,0|1,0,1]=4 1659 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [1,1,0,0,0,0|0,0,1]=3 1660 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [1,1,0,0,0,0|1,0,1]=4 1661 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [1,1,0,0,0,0|1,0,1]=4 1662 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [1,1,0,0,0,0|1,0,1]=4 1663 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [1,1,0,0,0,0|1,0,1]=4 1664 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [1,1,0,0,0,0|1,0,1]=4 1665 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [1,1,0,0,0,0|1,0,1]=4 1666 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [1,1,0,0,0,0|1,0,1]=4 1667 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [1,1,0,0,0,0|1,0,1]=4 1668 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [1,1,0,0,0,0|1,0,1]=4 1669 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [1,1,0,0,0,0|1,0,1]=4 1670 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [1,1,0,0,0,0|1,0,1]=4 1671 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [1,1,0,0,0,0|1,0,1]=4 1672 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [1,1,0,0,0,0|1,0,1]=4 1673 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [1,1,0,0,0,0|1,0,1]=4 1674 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [1,1,0,0,0,0|1,0,1]=4 1675 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [1,1,0,0,0,0|0,0,1]=3 1676 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [1,1,0,0,0,0|1,0,1]=4 1677 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [1,1,0,0,0,0|1,0,1]=4 1678 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [1,1,0,0,0,0|0,1,1]=4 1679 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [1,1,0,0,0,0|0,1,1]=4 1680 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [1,1,0,0,0,0|2,0,0]=4 1681 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [1,1,0,0,0,0|2,0,0]=4 1682 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [1,1,0,0,0,0|1,0,1]=4 1683 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [1,1,0,0,0,0|1,0,1]=4 1684 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [1,1,0,0,0,0|1,0,0]=3 1685 B11R1.1 Cc1ccc(cc1)NCCO 34a_100000124888_100000211926 [1,1,0,0,0,0|1,0,1]=4 1686 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [1,1,0,0,0,0|1,0,0]=3 1687 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [1,1,0,0,0,0|1,0,0]=3 1688 B11R1.1 Cc1ccc(cc1)OCCO 34a_100000210336_100000211926 [1,1,0,0,0,0|1,0,1]=4 1689 B11R1.1 Cc1ccc(cc1)OCCO 7a_100000210336_100000211926 [1,1,0,0,0,0|1,0,1]=4 1690 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [1,1,0,0,0,0|1,0,0]=3 1691 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [1,1,0,0,0,0|1,0,0]=3 1692 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000186775_100000211926 [1,1,0,0,0,0|1,0,1]=4 1693 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000211926_100000186775 [1,1,0,0,0,0|1,0,1]=4 1694 B11R1.1 Cc1ccc(cn1)OCC=O 34a_100000745506_200009817547 [1,1,0,0,0,0|2,0,0]=4 1695 B11R1.1 Cc1ccc(cn1)OCC=O 7a_100000745506_200015260668 [1,1,0,0,0,0|2,0,0]=4 1696 B11R1.1 Cc1ccc(cn1)SCC=O 62a_100000751577_200015260668 [1,1,0,0,0,0|2,0,0]=4 1697 B11R1.1 Cc1ccc(cn1)SCC=O 62a_200015260668_100000751577 [1,1,0,0,0,0|2,0,0]=4 1698 B11R1.1 Cc1ccc(nc1)OCC=O 34a_100000759353_200009817547 [1,1,0,0,0,0|2,0,0]=4 1699 B11R1.1 Cc1ccc(nc1)SCC=O 62a_100011192072_200015260668 [1,1,0,0,0,0|2,0,0]=4 1700 B11R1.1 Cc1ccc(nc1)SCC=O 62a_200015260668_100000754016 [1,1,0,0,0,0|2,0,0]=4 1701 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [1,1,0,0,0,0|1,0,1]=4 1702 B11R1.1 N#CCOc1ccc(cc1)O 271570a_203496583355_200000169425 [1,1,0,0,0,0|1,0,1]=4 1703 B11R1.1 N#CCSc1ccc(cc1)O 62a_100011215382_100000185759 [1,1,0,0,0,0|1,0,1]=4 1704 B11R1.1 N#CSCc1ccc(cc1)O 271570a_203496583355_200010141448 [1,1,0,0,0,0|1,0,1]=4 1705 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [1,1,0,0,0,0|1,0,1]=4 1706 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [1,1,0,0,0,0|1,0,1]=4 1707 B11R1.1 NCCSc1ccc(cc1)O 271570a_203496583355_100000184645 [1,1,0,0,0,0|1,0,1]=4 1708 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [1,1,0,0,0,0|1,0,0]=3 1709 B11R1.1 Nc1ccc(cc1)OCCO 34a_100000185829_100000211926 [1,1,0,0,0,0|1,0,1]=4 1710 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [1,1,0,0,0,0|1,0,0]=3 1711 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [1,1,0,0,0,0|1,0,0]=3 1712 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000185761_100000211926 [1,1,0,0,0,0|1,0,1]=4 1713 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000211926_100000185761 [1,1,0,0,0,0|1,0,1]=4 1714 B11R1.1 Nc1ccc(cn1)OCC=O 34a_100015188713_200009817547 [1,1,0,0,0,0|2,0,0]=4 1715 B11R1.1 Nc1ccc(cn1)OCC=O 7a_100015188713_200015260668 [1,1,0,0,0,0|2,0,0]=4 1716 B11R1.1 Nc1ccc(cn1)SCC=O 62a_100000187370_200015260668 [1,1,0,0,0,0|2,0,0]=4 1717 B11R1.1 Nc1ccc(cn1)SCC=O 62a_200015260668_100000187370 [1,1,0,0,0,0|2,0,0]=4 1718 B11R1.1 Nc1ccc(nc1)OCC=O 34a_100000729260_200009817547 [1,1,0,0,0,0|2,0,0]=4 1719 B11R1.1 Nc1ccc(nc1)SCC=O 62a_100000737798_200015260668 [1,1,0,0,0,0|2,0,0]=4 1720 B11R1.1 Nc1ccc(nc1)SCC=O 62a_200015260668_100000737798 [1,1,0,0,0,0|2,0,0]=4 1721 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,1,0,0,0,0|0,0,0]=2 1722 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [1,1,0,0,0,0|1,0,0]=3 1723 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [1,1,0,0,0,0|1,0,0]=3 1724 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [1,1,0,0,0,0|1,0,0]=3 1725 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [1,1,0,0,0,0|1,0,0]=3 1726 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [1,1,0,0,0,0|1,0,0]=3 1727 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [1,1,0,0,0,0|1,0,0]=3 1728 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [1,1,0,0,0,0|0,0,0]=2 1729 B11R1.1 O=CCOc1ccc(=O)[nH]c1 34a_100000075641_200009817547 [1,1,0,0,0,0|1,0,1]=4 1730 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [1,1,0,0,0,0|1,0,0]=3 1731 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [1,1,0,0,0,0|1,0,0]=3 1732 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [1,1,0,0,0,0|1,0,0]=3 1733 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [1,1,0,0,0,0|1,0,0]=3 1734 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [1,1,0,0,0,0|1,0,0]=3 1735 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [1,1,0,0,0,0|1,0,0]=3 1736 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [1,1,0,0,0,0|1,0,0]=3 1737 B11R1.1 O=CCOc1ccc(cn1)Cl 34a_100011215309_200009817547 [1,1,0,0,0,0|2,0,0]=4 1738 B11R1.1 O=CCOc1ccc(cn1)F 34a_100000742473_200009817547 [1,1,0,0,0,0|2,0,0]=4 1739 B11R1.1 O=CCOc1ccc(nc1)Br 34a_100000685995_200009817547 [1,1,0,0,0,0|2,0,0]=4 1740 B11R1.1 O=CCOc1ccc(nc1)Br 7a_100000685995_200015260668 [1,1,0,0,0,0|2,0,0]=4 1741 B11R1.1 O=CCOc1ccc(nc1)Cl 34a_100000744096_200009817547 [1,1,0,0,0,0|2,0,0]=4 1742 B11R1.1 O=CCOc1ccc(nc1)Cl 7a_100000744096_200015260668 [1,1,0,0,0,0|2,0,0]=4 1743 B11R1.1 O=CCOc1ccc(nc1)F 34a_100000688820_200009817547 [1,1,0,0,0,0|2,0,0]=4 1744 B11R1.1 O=CCOc1ccc(nc1)F 7a_100000688820_200015260668 [1,1,0,0,0,0|2,0,0]=4 1745 B11R1.1 O=CCOc1ccc(nc1)I 34a_100000687607_200009817547 [1,1,0,0,0,0|2,0,0]=4 1746 B11R1.1 O=CCOc1ccc(nc1)I 7a_100000687607_200015260668 [1,1,0,0,0,0|2,0,0]=4 1747 B11R1.1 O=CCSc1cc[n+](cc1)[O-] 62a_200015260668_100000039755 [1,1,0,0,0,0|1,0,1]=4 1748 B11R1.1 O=CCSc1ccc(=O)[nH]c1 62a_100000212171_200015260668 [1,1,0,0,0,0|1,0,1]=4 1749 B11R1.1 O=CCSc1ccc(=O)[nH]c1 62a_200015260668_100000212171 [1,1,0,0,0,0|1,0,1]=4 1750 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [1,1,0,0,0,0|1,0,0]=3 1751 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [1,1,0,0,0,0|1,0,0]=3 1752 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [1,1,0,0,0,0|1,0,0]=3 1753 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [1,1,0,0,0,0|1,0,0]=3 1754 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [1,1,0,0,0,0|1,0,0]=3 1755 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [1,1,0,0,0,0|1,0,0]=3 1756 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [1,1,0,0,0,0|0,0,0]=2 1757 B11R1.1 O=CCSc1ccc(cn1)Br 62a_100000686858_200015260668 [1,1,0,0,0,0|2,0,0]=4 1758 B11R1.1 O=CCSc1ccc(cn1)Br 62a_200015260668_100000686858 [1,1,0,0,0,0|2,0,0]=4 1759 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_100011356976_200015260668 [1,1,0,0,0,0|2,0,0]=4 1760 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_200015260668_100011356976 [1,1,0,0,0,0|2,0,0]=4 1761 B11R1.1 O=CCSc1ccc(cn1)F 62a_100000744514_200015260668 [1,1,0,0,0,0|2,0,0]=4 1762 B11R1.1 O=CCSc1ccc(cn1)F 62a_200015260668_100000744514 [1,1,0,0,0,0|2,0,0]=4 1763 B11R1.1 O=CCSc1ccc(cn1)O 62a_100000685995_200015260668 [1,1,0,0,0,0|1,0,0]=3 1764 B11R1.1 O=CCSc1ccc(cn1)O 62a_200015260668_100000744096 [1,1,0,0,0,0|1,0,0]=3 1765 B11R1.1 O=CCSc1ccc(nc1)Br 62a_100009814638_200015260668 [1,1,0,0,0,0|2,0,0]=4 1766 B11R1.1 O=CCSc1ccc(nc1)Br 62a_200015260668_100009814638 [1,1,0,0,0,0|2,0,0]=4 1767 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_100000034144_200015260668 [1,1,0,0,0,0|2,0,0]=4 1768 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_200015260668_100000034144 [1,1,0,0,0,0|2,0,0]=4 1769 B11R1.1 O=CCSc1ccc(nc1)F 62a_100000042367_200015260668 [1,1,0,0,0,0|2,0,0]=4 1770 B11R1.1 O=CCSc1ccc(nc1)F 62a_200015260668_100000042367 [1,1,0,0,0,0|2,0,0]=4 1771 B11R1.1 O=CCSc1cnc(cn1)O 62a_100011934580_200015260668 [1,1,0,0,0,0|2,0,0]=4 1772 B11R1.1 O=CCSc1cnc(cn1)O 62a_200015260668_100015839800 [1,1,0,0,0,0|2,0,0]=4 1773 B11R1.1 O=CCSc1ncc(cn1)O 62a_100000730009_200015260668 [1,1,0,0,0,0|2,0,0]=4 1774 B11R1.1 O=CCSc1ncc(cn1)O 62a_200015260668_100000092845 [1,1,0,0,0,0|2,0,0]=4 1775 B11R1.1 OCC#Cc1ccc(cc1)O 271570a_203496583355_100009814260 [1,1,0,0,0,0|0,0,2]=4 1776 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [1,1,0,0,0,0|0,0,1]=3 1777 B11R1.1 OCCNc1ccc(cc1)Br 2230a_100000210018_100000211926 [1,1,0,0,0,0|1,0,1]=4 1778 B11R1.1 OCCNc1ccc(cc1)Br 34a_100000210018_100000211926 [1,1,0,0,0,0|1,0,1]=4 1779 B11R1.1 OCCNc1ccc(cc1)Cl 2230a_100000210052_100000211926 [1,1,0,0,0,0|1,0,1]=4 1780 B11R1.1 OCCNc1ccc(cc1)Cl 34a_100000210052_100000211926 [1,1,0,0,0,0|1,0,1]=4 1781 B11R1.1 OCCNc1ccc(cc1)F 34a_100000185862_100000211926 [1,1,0,0,0,0|1,0,1]=4 1782 B11R1.1 OCCNc1ccc(cc1)I 34a_100000185761_100000211926 [1,1,0,0,0,0|1,0,1]=4 1783 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [1,1,0,0,0,0|0,0,1]=3 1784 B11R1.1 OCCOc1ccc(cc1)Br 34a_100000185759_100000211926 [1,1,0,0,0,0|1,0,1]=4 1785 B11R1.1 OCCOc1ccc(cc1)Br 7a_100000185759_100000211926 [1,1,0,0,0,0|1,0,1]=4 1786 B11R1.1 OCCOc1ccc(cc1)Cl 34a_100000210216_100000211926 [1,1,0,0,0,0|1,0,1]=4 1787 B11R1.1 OCCOc1ccc(cc1)Cl 7a_100000210216_100000211926 [1,1,0,0,0,0|1,0,1]=4 1788 B11R1.1 OCCOc1ccc(cc1)F 34a_100000210339_100000211926 [1,1,0,0,0,0|1,0,1]=4 1789 B11R1.1 OCCOc1ccc(cc1)I 34a_100000212066_100000211926 [1,1,0,0,0,0|1,0,1]=4 1790 B11R1.1 OCCOc1ccc(cc1)I 7a_100000212066_100000211926 [1,1,0,0,0,0|1,0,1]=4 1791 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [1,1,0,0,0,0|0,0,1]=3 1792 B11R1.1 OCCOc1ccc(nc1)O 271570a_203496583355_200013150534 [1,1,0,0,0,0|1,0,1]=4 1793 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000211926_100000752885 [1,1,0,0,0,0|1,0,1]=4 1794 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000752885_100000211926 [1,1,0,0,0,0|1,0,1]=4 1795 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000211926_100000755918 [1,1,0,0,0,0|1,0,1]=4 1796 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000755918_100000211926 [1,1,0,0,0,0|1,0,1]=4 1797 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211213_100000211926 [1,1,0,0,0,0|1,0,1]=4 1798 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211926_100000211213 [1,1,0,0,0,0|1,0,1]=4 1799 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [1,1,0,0,0,0|0,0,1]=3 1800 B11R1.1 OCCSc1ccc(cn1)O 62a_100000211926_100000744096 [1,1,0,0,0,0|1,0,1]=4 1801 B11R1.1 OCCSc1ccc(cn1)O 62a_100000685995_100000211926 [1,1,0,0,0,0|1,0,1]=4 1802 B11R1.1 Oc1ccc(cc1)CNCF 34a_100000185549_100015361967 [1,1,0,0,0,0|1,0,1]=4 1803 B11R1.1 Oc1ccc(cc1)NCCF 34a_100000185829_100011217306 [1,1,0,0,0,0|1,0,1]=4 1804 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [1,1,0,0,0,0|1,0,1]=4 1805 B11R1.1 Oc1ccc(cc1)SCCF 62a_100011217306_100000185759 [1,1,0,0,0,0|1,0,1]=4 1806 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [1,1,0,0,0,0|1,0,1]=4 1807 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [1,1,0,0,0,0|1,0,1]=4 1808 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [1,1,0,0,0,0|1,0,1]=4 1809 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [1,1,0,0,0,0|1,0,1]=4 1810 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [1,1,0,0,0,0|1,0,1]=4 1811 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [1,1,0,0,0,0|1,0,1]=4 1812 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [1,1,0,0,0,0|1,0,1]=4 1813 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [1,1,0,0,0,0|1,0,1]=4 1814 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [1,1,0,0,0,0|1,0,1]=4 1815 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [1,1,0,0,0,0|1,0,1]=4 1816 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [1,1,0,0,0,0|0,1,1]=4 1817 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [1,1,0,0,0,0|0,1,1]=4 1818 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [1,1,0,0,0,0|1,0,1]=4 1819 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [1,1,0,0,0,0|1,0,1]=4 1820 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [1,1,0,0,0,0|1,0,1]=4 1821 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [1,1,0,0,0,0|1,0,1]=4 1822 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [1,1,0,0,0,0|2,0,0]=4 1823 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [1,1,0,0,0,0|2,0,0]=4 1824 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [1,1,0,0,0,0|2,0,0]=4 1825 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [1,1,0,0,0,0|2,0,0]=4 1826 B11R1.22 N#CC(N)c1ccc(cc1)O 271570a_203496583355_106722365845 [1,1,0,0,0,0|1,0,1]=4 1827 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [1,1,0,0,0,0|0,0,1]=3 1828 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [1,1,0,0,0,0|1,0,1]=4 1829 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,1,0,0,0,0|0,0,2]=4 1830 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [1,1,0,0,0,0|0,0,1]=3 1831 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [1,1,0,0,0,0|0,0,1]=3 1832 B11R1.81 CC=Cc1ccc(cc1Br)O 271570a_100016259895_100000701344 [1,1,0,0,0,0|1,0,1]=4 1833 B11R1.81 CC=Cc1ccc(cc1C)O 271570a_100016259895_100000729255 [1,1,0,0,0,0|1,0,1]=4 1834 B11R1.81 CC=Cc1ccc(cc1Cl)O 271570a_100016259895_100000047559 [1,1,0,0,0,0|1,0,1]=4 1835 B11R1.81 CC=Cc1ccc(cc1F)O 271570a_100016259895_100000755031 [1,1,0,0,0,0|1,0,1]=4 1836 B11R1.81 CC=Cc1ccc(cc1N)O 271570a_100016259895_100011999798 [1,1,0,0,0,0|1,0,1]=4 1837 B11R1.81 CC=Cc1ccc(cc1O)O 271570a_100016259895_100009813921 [1,1,0,0,0,0|1,0,1]=4 1838 B11R1.81 CNCc1ccc(cc1Cl)O 34a_200161156549_200000210301 [1,1,0,0,0,0|2,0,0]=4 1839 B11R1.81 COCc1ccc(cc1N)O 271570a_203496583355_100013084866 [1,1,0,0,0,0|2,0,0]=4 1840 B11R1.81 Cc1cc(ccc1CC#N)O 271570a_203496583355_100000697864 [1,1,0,0,0,0|1,0,1]=4 1841 B11R1.81 N#CCc1ccc(cc1F)O 271570a_203496583355_100011295474 [1,1,0,0,0,0|1,0,1]=4 1842 B11R1.81 OCCc1ccc(cc1F)O 271570a_203496583355_100011962869 [1,1,0,0,0,0|0,0,1]=3 1843 B11R1.81 [13CH3]NCc1ccc(cc1Cl)O 34a_200161156549_200025704644 [1,1,0,0,0,0|2,0,0]=4 1844 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [1,1,0,0,0,0|1,0,0]=3 1845 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [1,1,0,0,0,0|1,0,0]=3 1846 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [1,1,0,0,0,0|1,0,0]=3 1847 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [1,1,0,0,0,0|1,0,0]=3 1848 B11R1.83 C=Cc1ccc(cc1)CC=O 271570a_100011290941_100011361690 [1,1,0,0,0,0|1,0,0]=3 1849 B11R1.83 C=Cc1ccc(cc1)CCO 271570a_100011290941_100000766406 [1,1,0,0,0,0|1,0,1]=4 1850 B11R1.83 CC=Cc1ccc(cc1)CO 271570a_100016259895_100000690907 [1,1,0,0,0,0|1,0,1]=4 1851 B11R1.83 CC=Cc1ccc(cc1)OC 271570a_100016259895_100000171711 [1,1,0,0,0,0|1,0,1]=4 1852 B11R1.83 CCCc1ccc(cc1)OC 34a_100000749406_200000210301 [1,1,0,0,0,0|1,0,1]=4 1853 B11R1.83 CCCc1ccc(cc1)OC 7a_100000749406_200000210301 [1,1,0,0,0,0|1,0,1]=4 1854 B11R1.83 CCCc1ccc(cc1)O[13CH3] 34a_100000749406_200025704644 [1,1,0,0,0,0|1,0,1]=4 1855 B11R1.83 CCCc1ccc(cc1)O[13CH3] 7a_100000749406_200025704644 [1,1,0,0,0,0|1,0,1]=4 1856 B11R1.83 CNCc1ccc(cc1)CO 207a_100102657272_100009832023 [1,1,0,0,0,0|2,0,0]=4 1857 B11R1.83 CNCc1ccc(cc1)CO 2230a_100015189231_200000210301 [1,1,0,0,0,0|2,0,0]=4 1858 B11R1.83 CNCc1ccc(cc1)CO 2230a_106832991635_100000067286 [1,1,0,0,0,0|2,0,0]=4 1859 B11R1.83 CNCc1ccc(cc1)CO 26a_100102657272_100000211755 [1,1,0,0,0,0|2,0,0]=4 1860 B11R1.83 CNCc1ccc(cc1)CO 270004a_106832991635_100009832023 [1,1,0,0,0,0|2,0,0]=4 1861 B11R1.83 CNCc1ccc(cc1)CO 34a_100015189231_200000210301 [1,1,0,0,0,0|2,0,0]=4 1862 B11R1.83 CNCc1ccc(cc1)CO 34a_100102657272_100000067286 [1,1,0,0,0,0|2,0,0]=4 1863 B11R1.83 CNCc1ccc(cc1)CO 7a_106832991635_100000067286 [1,1,0,0,0,0|2,0,0]=4 1864 B11R1.83 CNCc1ccc(cc1)OC 207a_100102657272_100000169835 [1,1,0,0,0,0|2,0,0]=4 1865 B11R1.83 CNCc1ccc(cc1)OC 2230a_106832991635_100000742318 [1,1,0,0,0,0|2,0,0]=4 1866 B11R1.83 CNCc1ccc(cc1)OC 26a_100102657272_100000210503 [1,1,0,0,0,0|2,0,0]=4 1867 B11R1.83 CNCc1ccc(cc1)OC 270004a_106832991635_100000169835 [1,1,0,0,0,0|2,0,0]=4 1868 B11R1.83 CNCc1ccc(cc1)OC 34a_100000185587_200000210301 [1,1,0,0,0,0|2,0,0]=4 1869 B11R1.83 CNCc1ccc(cc1)OC 34a_100000207500_200000210301 [1,1,0,0,0,0|2,0,0]=4 1870 B11R1.83 CNCc1ccc(cc1)OC 34a_100102657272_100000742318 [1,1,0,0,0,0|2,0,0]=4 1871 B11R1.83 CNCc1ccc(cc1)OC 7a_106832991635_100000742318 [1,1,0,0,0,0|2,0,0]=4 1872 B11R1.83 CNCc1ccc(cc1)O[13CH3] 34a_100000207500_200025704644 [1,1,0,0,0,0|2,0,0]=4 1873 B11R1.83 CNc1ccc(cc1)CCO 2230a_100011204434_200000210301 [1,1,0,0,0,0|1,0,1]=4 1874 B11R1.83 CNc1ccc(cc1)CCO 34a_100011204434_200000210301 [1,1,0,0,0,0|1,0,1]=4 1875 B11R1.83 COCc1ccc(cc1)CO 34a_100138415774_100000067286 [1,1,0,0,0,0|2,0,0]=4 1876 B11R1.83 COCc1ccc(cc1)OC 34a_100000173359_200000210301 [1,1,0,0,0,0|2,0,0]=4 1877 B11R1.83 COCc1ccc(cc1)OC 34a_100138415774_100000742318 [1,1,0,0,0,0|2,0,0]=4 1878 B11R1.83 COCc1ccc(cc1)OC 34a_200011995677_200000210301 [1,1,0,0,0,0|2,0,0]=4 1879 B11R1.83 COCc1ccc(cc1)OC 7a_200011995677_200000210301 [1,1,0,0,0,0|2,0,0]=4 1880 B11R1.83 COCc1ccc(cc1)O[13CH3] 34a_200011995677_200025704644 [1,1,0,0,0,0|2,0,0]=4 1881 B11R1.83 COCc1ccc(cc1)O[13CH3] 7a_200011995677_200025704644 [1,1,0,0,0,0|2,0,0]=4 1882 B11R1.83 COc1ccc(cc1)CC#N 34a_100000198970_200000210301 [1,1,0,0,0,0|1,0,1]=4 1883 B11R1.83 COc1ccc(cc1)CC#N 7a_100000198970_200000210301 [1,1,0,0,0,0|1,0,1]=4 1884 B11R1.83 COc1ccc(cc1)CCBr 34a_100009816426_200000210301 [1,1,0,0,0,0|1,0,1]=4 1885 B11R1.83 COc1ccc(cc1)CCBr 7a_100009816426_200000210301 [1,1,0,0,0,0|1,0,1]=4 1886 B11R1.83 COc1ccc(cc1)CCN 34a_100000743037_200000210301 [1,1,0,0,0,0|1,0,1]=4 1887 B11R1.83 COc1ccc(cc1)CCO 34a_100011215338_200000210301 [1,1,0,0,0,0|0,0,1]=3 1888 B11R1.83 COc1ccc(cc1)CCO 7a_100011215338_200000210301 [1,1,0,0,0,0|0,0,1]=3 1889 B11R1.83 COc1ccc(cc1)CN[13CH3] 34a_100000185587_200025704644 [1,1,0,0,0,0|2,0,0]=4 1890 B11R1.83 COc1ccc(cc1)CO[13CH3] 34a_100000173359_200025704644 [1,1,0,0,0,0|2,0,0]=4 1891 B11R1.83 COc1ccc(cc1)CSC 62a_200000210301_100000742318 [1,1,0,0,0,0|2,0,0]=4 1892 B11R1.83 COc1ccc(cc1)CS[13CH3] 62a_200025704644_100000742318 [1,1,0,0,0,0|2,0,0]=4 1893 B11R1.83 CSCc1ccc(cc1)CO 62a_100000067286_200000210301 [1,1,0,0,0,0|2,0,0]=4 1894 B11R1.83 CSCc1ccc(cc1)CO 62a_200000210301_100000067286 [1,1,0,0,0,0|2,0,0]=4 1895 B11R1.83 CSc1ccc(cc1)CC=O 62a_100011361690_200000210301 [1,1,0,0,0,0|0,1,0]=3 1896 B11R1.83 CSc1ccc(cc1)CC=O 62a_200000210301_100011361690 [1,1,0,0,0,0|0,1,0]=3 1897 B11R1.83 CSc1ccc(cc1)CCO 62a_100000766406_200000210301 [1,1,0,0,0,0|0,1,1]=4 1898 B11R1.83 CSc1ccc(cc1)CCO 62a_200000210301_100000766406 [1,1,0,0,0,0|0,1,1]=4 1899 B11R1.83 [13CH3]NCc1ccc(cc1)CO 2230a_100015189231_200025704644 [1,1,0,0,0,0|2,0,0]=4 1900 B11R1.83 [13CH3]NCc1ccc(cc1)CO 34a_100015189231_200025704644 [1,1,0,0,0,0|2,0,0]=4 1901 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 2230a_100011204434_200025704644 [1,1,0,0,0,0|1,0,1]=4 1902 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 34a_100011204434_200025704644 [1,1,0,0,0,0|1,0,1]=4 1903 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 34a_100000198970_200025704644 [1,1,0,0,0,0|1,0,1]=4 1904 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 7a_100000198970_200025704644 [1,1,0,0,0,0|1,0,1]=4 1905 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 34a_100009816426_200025704644 [1,1,0,0,0,0|1,0,1]=4 1906 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 7a_100009816426_200025704644 [1,1,0,0,0,0|1,0,1]=4 1907 B11R1.83 [13CH3]Oc1ccc(cc1)CCN 34a_100000743037_200025704644 [1,1,0,0,0,0|1,0,1]=4 1908 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 34a_100011215338_200025704644 [1,1,0,0,0,0|0,0,1]=3 1909 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 7a_100011215338_200025704644 [1,1,0,0,0,0|0,0,1]=3 1910 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_100000067286_200025704644 [1,1,0,0,0,0|2,0,0]=4 1911 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_200025704644_100000067286 [1,1,0,0,0,0|2,0,0]=4 1912 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_100011361690_200025704644 [1,1,0,0,0,0|0,1,0]=3 1913 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_200025704644_100011361690 [1,1,0,0,0,0|0,1,0]=3 1914 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_100000766406_200025704644 [1,1,0,0,0,0|0,1,1]=4 1915 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_200025704644_100000766406 [1,1,0,0,0,0|0,1,1]=4 1916 B11R1.192 CC=Cc1ccc(c(c1)Br)O 271570a_100016259895_100012361655 [1,1,0,0,0,0|1,0,1]=4 1917 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [1,1,0,0,0,0|1,0,1]=4 1918 B11R1.192 CC=Cc1ccc(c(c1)Cl)O 271570a_100016259895_100012360047 [1,1,0,0,0,0|1,0,1]=4 1919 B11R1.192 CC=Cc1ccc(c(c1)F)O 271570a_100016259895_100000185481 [1,1,0,0,0,0|1,0,1]=4 1920 B11R1.192 CC=Cc1ccc(c(c1)N)O 271570a_100016259895_100000752626 [1,1,0,0,0,0|1,0,1]=4 1921 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [1,1,0,0,0,0|1,0,1]=4 1922 B11R1.192 CCCc1ccc(c(c1)F)O 271570a_203496583355_200010686677 [1,1,0,0,0,0|1,0,1]=4 1923 B11R1.192 CNCc1ccc(c(c1)F)O 34a_100000758358_200000210301 [1,1,0,0,0,0|2,0,0]=4 1924 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [1,1,0,0,0,0|2,0,0]=4 1925 B11R1.192 COCc1ccc(c(c1)F)O 271570a_203496583355_100010177442 [1,1,0,0,0,0|2,0,0]=4 1926 B11R1.192 COCc1ccc(c(c1)N)O 271570a_203496583355_200013033220 [1,1,0,0,0,0|2,0,0]=4 1927 B11R1.192 Cc1cc(ccc1O)CC#N 271570a_203496583355_100000726167 [1,1,0,0,0,0|1,0,1]=4 1928 B11R1.192 N#CCc1ccc(c(c1)F)O 271570a_203496583355_100000691973 [1,1,0,0,0,0|1,0,1]=4 1929 B11R1.192 OCCc1ccc(c(c1)F)O 271570a_203496583355_100012921202 [1,1,0,0,0,0|0,0,1]=3 1930 B11R1.192 [13CH3]NCc1ccc(c(c1)F)O 34a_100000758358_200025704644 [1,1,0,0,0,0|2,0,0]=4 1931 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [1,1,0,0,0,0|2,0,0]=4 1932 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [1,1,0,0,0,0|1,0,1]=4 1933 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [1,1,0,0,0,0|1,0,1]=4 1934 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,1,0,0,0,0|1,0,0]=3 1935 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [1,1,0,0,0,0|2,0,0]=4 1936 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,1,0,0,0,0|1,0,0]=3 1937 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [1,1,0,0,0,0|2,0,0]=4 1938 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [1,1,0,0,0,0|2,0,0]=4 1939 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [1,1,0,0,0,0|2,0,0]=4 1940 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,1,0,0,0,0|1,0,0]=3 1941 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,1,0,0,0,0|1,0,0]=3 1942 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [1,1,0,0,0,0|2,0,0]=4 1943 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,1,0,0,0,0|1,0,0]=3 1944 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,1,0,0,0,0|1,0,0]=3 1945 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,1,0,0,0,0|1,0,0]=3 1946 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [1,1,0,0,0,0|1,0,0]=3 1947 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [1,1,0,0,0,0|2,0,0]=4 1948 B11R1.40 C#CC(=O)Cc1cccnc1 1458a_100000211873_100000733263 [1,1,0,0,0,0|2,0,0]=4 1949 B11R1.40 C#CC(=O)Cc1ccncc1 1458a_100000211873_100000705612 [1,1,0,0,0,0|2,0,0]=4 1950 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,1,0,0,0,0|1,0,0]=3 1951 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [1,1,0,0,0,0|2,0,0]=4 1952 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [1,1,0,0,0,0|2,0,0]=4 1953 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [1,1,0,0,0,0|2,0,0]=4 1954 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,1,0,0,0,0|2,0,0]=4 1955 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,1,0,0,0,0|2,0,0]=4 1956 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [1,1,0,0,0,0|1,0,1]=4 1957 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [1,1,0,0,0,0|1,0,1]=4 1958 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [1,1,0,0,0,0|2,0,0]=4 1959 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [1,1,0,0,0,0|1,0,0]=3 1960 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [1,1,0,0,0,0|2,0,0]=4 1961 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [1,1,0,0,0,0|2,0,0]=4 1962 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [1,1,0,0,0,0|2,0,0]=4 1963 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [1,1,0,0,0,0|2,0,0]=4 1964 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [1,1,0,0,0,0|2,0,0]=4 1965 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [1,1,0,0,0,0|2,0,0]=4 1966 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [1,1,0,0,0,0|2,0,0]=4 1967 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [1,1,0,0,0,0|2,0,0]=4 1968 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [1,1,0,0,0,0|2,0,0]=4 1969 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [1,1,0,0,0,0|2,0,0]=4 1970 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [1,1,0,0,0,0|2,0,0]=4 1971 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [1,1,0,0,0,0|2,0,0]=4 1972 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [1,1,0,0,0,0|2,0,0]=4 1973 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [1,1,0,0,0,0|2,0,0]=4 1974 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [1,1,0,0,0,0|2,0,0]=4 1975 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [1,1,0,0,0,0|2,0,0]=4 1976 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [1,1,0,0,0,0|2,0,0]=4 1977 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [1,1,0,0,0,0|2,0,0]=4 1978 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [1,1,0,0,0,0|2,0,0]=4 1979 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [1,1,0,0,0,0|1,0,1]=4 1980 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [1,1,0,0,0,0|1,0,1]=4 1981 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [1,1,0,0,0,0|1,0,1]=4 1982 B11R1.40 O=C(CF)C[n+]1ccccc1 1458a_200000086051_100015361967 [1,1,0,0,0,0|2,0,0]=4 1983 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [1,1,0,0,0,0|2,0,0]=4 1984 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [1,1,0,0,0,0|2,0,0]=4 1985 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,1,0,0,0,0|0,0,0]=2 1986 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [1,1,0,0,0,0|1,0,0]=3 1987 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [1,1,0,0,0,0|1,0,0]=3 1988 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [1,1,0,0,0,0|2,0,0]=4 1989 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [1,1,0,0,0,0|1,0,0]=3 1990 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [1,1,0,0,0,0|2,0,0]=4 1991 B11R1.40 O=C(CO)Cc1cncnc1 1458a_100000210174_100015196519 [1,1,0,0,0,0|2,0,0]=4 1992 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [1,1,0,0,0,0|2,0,0]=4 1993 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,1,0,0,0,0|1,0,0]=3 1994 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,1,0,0,0,0|1,0,0]=3 1995 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [1,1,0,0,0,0|1,0,0]=3 1996 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [1,1,0,0,0,0|1,0,0]=3 1997 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [1,1,0,0,0,0|1,0,0]=3 1998 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [1,1,0,0,0,0|1,0,0]=3 1999 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [1,1,0,0,0,0|1,0,0]=3 2000 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [1,1,0,0,0,0|1,0,0]=3 2001 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [1,1,0,0,0,0|1,0,0]=3 2002 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [1,1,0,0,0,0|1,0,0]=3 2003 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [1,1,0,0,0,0|1,0,0]=3 2004 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [1,1,0,0,0,0|1,0,0]=3 2005 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [1,1,0,0,0,0|1,0,0]=3 2006 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [1,1,0,0,0,0|1,0,0]=3 2007 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [1,1,0,0,0,0|2,0,0]=4 2008 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [1,1,0,0,0,0|2,0,0]=4 2009 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [1,1,0,0,0,0|2,0,0]=4 2010 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [1,1,0,0,0,0|2,0,0]=4 2011 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [1,1,0,0,0,0|2,0,0]=4 2012 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [1,1,0,0,0,0|2,0,0]=4 2013 B11R1.86 CC(=O)Cc1ccncc1Cl 1458a_100000070787_100000763264 [1,1,0,0,0,0|2,0,0]=4 2014 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [1,1,0,0,0,0|2,0,0]=4 2015 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [1,1,0,0,0,0|2,0,0]=4 2016 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [1,1,0,0,0,0|2,0,0]=4 2017 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [1,1,0,0,0,0|2,0,0]=4 2018 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [1,1,0,0,0,0|2,0,0]=4 2019 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [1,1,0,0,0,0|2,0,0]=4 2020 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [1,1,0,0,0,0|2,0,0]=4 2021 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [1,1,0,0,0,0|2,0,0]=4 2022 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [1,1,0,0,0,0|2,0,0]=4 2023 B11R1.86 CC(=O)Cn1ccccc1=O 1458a_100000189665_200000210301 [1,1,0,0,0,0|2,0,0]=4 2024 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [1,1,0,0,0,0|2,0,0]=4 2025 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [1,1,0,0,0,0|2,0,0]=4 2026 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [1,1,0,0,0,0|2,0,0]=4 2027 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [1,1,0,0,0,0|2,0,0]=4 2028 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [1,1,0,0,0,0|2,0,0]=4 2029 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [1,1,0,0,0,0|2,0,0]=4 2030 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [1,1,0,0,0,0|2,0,0]=4 2031 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [1,1,0,0,0,0|2,0,0]=4 2032 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [1,1,0,0,0,0|2,0,0]=4 2033 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [1,1,0,0,0,0|2,0,0]=4 2034 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [1,1,0,0,0,0|2,0,0]=4 2035 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [1,1,0,0,0,0|2,0,0]=4 2036 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [1,1,0,0,0,0|2,0,0]=4 2037 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [1,1,0,0,0,0|2,0,0]=4 2038 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [1,1,0,0,0,0|2,0,0]=4 2039 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [1,1,0,0,0,0|2,0,0]=4 2040 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [1,1,0,0,0,0|2,0,0]=4 2041 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [1,1,0,0,0,0|2,0,0]=4 2042 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [1,1,0,0,0,0|2,0,0]=4 2043 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [1,1,0,0,0,0|2,0,0]=4 2044 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [1,1,0,0,0,0|1,0,0]=3 2045 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [1,1,0,0,0,0|2,0,0]=4 2046 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,1,0,0,0,0|1,0,0]=3 2047 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [1,1,0,0,0,0|2,0,0]=4 2048 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [1,1,0,0,0,0|1,0,0]=3 2049 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [1,1,0,0,0,0|1,0,0]=3 2050 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [1,1,0,0,0,0|1,0,0]=3 2051 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [1,1,0,0,0,0|1,0,0]=3 2052 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [1,1,0,0,0,0|1,0,0]=3 2053 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [1,1,0,0,0,0|2,0,0]=4 2054 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [1,1,0,0,0,0|2,0,0]=4 2055 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [1,1,0,0,0,0|2,0,0]=4 2056 B11R1.86 [13CH3]C(=O)Cn1ccccc1=O 1458a_100000189665_200025704644 [1,1,0,0,0,0|2,0,0]=4 2057 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [1,1,0,0,0,0|2,0,0]=4 2058 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [1,1,0,0,0,0|2,0,0]=4 2059 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [1,1,0,0,0,0|2,0,0]=4 2060 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [1,1,0,0,0,0|1,0,0]=3 2061 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [1,1,0,0,0,0|1,0,0]=3 2062 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [1,1,0,0,0,0|1,0,0]=3 2063 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [1,1,0,0,0,0|1,0,0]=3 2064 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [1,1,0,0,0,0|1,0,0]=3 2065 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [1,1,0,0,0,0|1,0,0]=3 2066 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [1,1,0,0,0,0|1,0,0]=3 2067 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [1,1,0,0,0,0|1,0,0]=3 2068 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [1,1,0,0,0,0|1,0,0]=3 2069 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [1,1,0,0,0,0|1,0,0]=3 2070 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [1,1,0,0,0,0|1,0,0]=3 2071 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [1,1,0,0,0,0|1,0,0]=3 2072 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [1,1,0,0,0,0|1,0,0]=3 2073 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [1,1,0,0,0,0|2,0,0]=4 2074 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [1,1,0,0,0,0|2,0,0]=4 2075 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [1,1,0,0,0,0|2,0,0]=4 2076 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [1,1,0,0,0,0|2,0,0]=4 2077 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [1,1,0,0,0,0|2,0,0]=4 2078 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [1,1,0,0,0,0|2,0,0]=4 2079 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [1,1,0,0,0,0|2,0,0]=4 2080 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [1,1,0,0,0,0|2,0,0]=4 2081 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100000070787_100010243470 [1,1,0,0,0,0|2,0,0]=4 2082 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_200000210301 [1,1,0,0,0,0|2,0,0]=4 2083 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [1,1,0,0,0,0|2,0,0]=4 2084 B11R1.157 CC(=O)Cc1ccnc(c1)Cl 1458a_100000070787_100000764220 [1,1,0,0,0,0|2,0,0]=4 2085 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [1,1,0,0,0,0|2,0,0]=4 2086 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [1,1,0,0,0,0|2,0,0]=4 2087 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [1,1,0,0,0,0|2,0,0]=4 2088 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [1,1,0,0,0,0|2,0,0]=4 2089 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [1,1,0,0,0,0|2,0,0]=4 2090 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [1,1,0,0,0,0|2,0,0]=4 2091 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [1,1,0,0,0,0|2,0,0]=4 2092 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [1,1,0,0,0,0|2,0,0]=4 2093 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [1,1,0,0,0,0|2,0,0]=4 2094 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [1,1,0,0,0,0|2,0,0]=4 2095 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [1,1,0,0,0,0|2,0,0]=4 2096 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [1,1,0,0,0,0|2,0,0]=4 2097 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [1,1,0,0,0,0|2,0,0]=4 2098 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [1,1,0,0,0,0|2,0,0]=4 2099 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [1,1,0,0,0,0|2,0,0]=4 2100 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [1,1,0,0,0,0|2,0,0]=4 2101 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [1,1,0,0,0,0|2,0,0]=4 2102 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [1,1,0,0,0,0|2,0,0]=4 2103 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [1,1,0,0,0,0|2,0,0]=4 2104 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [1,1,0,0,0,0|2,0,0]=4 2105 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [1,1,0,0,0,0|2,0,0]=4 2106 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [1,1,0,0,0,0|2,0,0]=4 2107 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [1,1,0,0,0,0|2,0,0]=4 2108 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [1,1,0,0,0,0|2,0,0]=4 2109 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [1,1,0,0,0,0|2,0,0]=4 2110 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [1,1,0,0,0,0|2,0,0]=4 2111 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [1,1,0,0,0,0|2,0,0]=4 2112 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [1,1,0,0,0,0|2,0,0]=4 2113 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [1,1,0,0,0,0|2,0,0]=4 2114 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [1,1,0,0,0,0|2,0,0]=4 2115 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [1,1,0,0,0,0|1,0,0]=3 2116 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [1,1,0,0,0,0|2,0,0]=4 2117 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,1,0,0,0,0|1,0,0]=3 2118 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [1,1,0,0,0,0|2,0,0]=4 2119 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [1,1,0,0,0,0|1,0,0]=3 2120 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [1,1,0,0,0,0|1,0,0]=3 2121 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [1,1,0,0,0,0|1,0,0]=3 2122 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [1,1,0,0,0,0|1,0,0]=3 2123 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [1,1,0,0,0,0|1,0,0]=3 2124 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [1,1,0,0,0,0|2,0,0]=4 2125 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [1,1,0,0,0,0|2,0,0]=4 2126 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [1,1,0,0,0,0|2,0,0]=4 2127 B11R1.157 [13CH3]C(=O)Cc1ccnc(c1)Br 1458a_100010126891_200025704644 [1,1,0,0,0,0|2,0,0]=4 2128 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [1,1,0,0,0,0|2,0,0]=4 2129 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [1,1,0,0,0,0|2,0,0]=4 2130 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [0,1,0,0,1,0|2,0,0]=4 2131 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [0,1,0,0,1,0|2,0,0]=4 2132 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [0,1,0,0,1,0|2,0,0]=4 2133 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [0,1,0,0,1,0|2,0,0]=4 2134 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [0,1,0,0,1,0|2,0,0]=4 2135 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [0,1,0,0,1,0|2,0,0]=4 2136 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [0,1,0,0,1,0|2,0,0]=4 2137 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [0,1,0,0,1,0|2,0,0]=4 2138 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [0,1,0,0,1,0|2,0,0]=4 2139 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [0,1,0,0,1,0|2,0,0]=4 2140 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [0,1,0,0,1,0|2,0,0]=4 2141 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [0,1,0,0,1,0|2,0,0]=4 2142 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [0,1,0,0,1,0|2,0,0]=4 2143 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [0,1,0,0,1,0|1,0,0]=3 2144 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [0,1,0,0,1,0|1,0,0]=3 2145 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [0,1,0,0,1,0|1,0,0]=3 2146 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [0,1,0,0,1,0|1,1,0]=4 2147 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [0,1,0,0,1,0|1,1,0]=4 2148 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [0,1,0,0,1,0|2,0,0]=4 2149 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [0,1,0,0,1,0|2,0,0]=4 2150 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [0,1,0,0,1,0|1,0,1]=4 2151 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [0,1,0,0,1,0|1,0,1]=4 2152 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [0,1,0,0,1,0|2,0,0]=4 2153 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [0,1,0,0,1,0|2,0,0]=4 2154 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [0,1,0,0,1,0|2,0,0]=4 2155 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [0,1,0,0,1,0|2,0,0]=4 2156 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [0,1,0,0,1,0|1,0,0]=3 2157 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [0,1,0,0,1,0|1,0,0]=3 2158 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [0,1,0,0,1,0|1,0,0]=3 2159 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [0,1,0,0,1,0|1,0,0]=3 2160 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [0,1,0,0,1,0|1,0,0]=3 2161 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [0,1,0,0,1,0|1,0,0]=3 2162 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [0,1,0,0,1,0|1,0,1]=4 2163 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [0,1,0,0,1,0|1,0,1]=4 2164 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [0,1,0,0,1,0|2,0,0]=4 2165 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [0,1,0,0,1,0|2,0,0]=4 2166 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [0,1,0,0,1,0|1,0,1]=4 2167 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [0,1,0,0,1,0|1,0,1]=4 2168 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [0,1,0,0,1,0|2,0,0]=4 2169 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [0,1,0,0,1,0|2,0,0]=4 2170 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [0,1,0,0,1,0|2,0,0]=4 2171 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [0,1,0,0,1,0|2,0,0]=4 2172 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [0,1,0,0,1,0|1,1,0]=4 2173 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [0,1,0,0,1,0|1,1,0]=4 2174 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [0,1,0,0,1,0|1,1,0]=4 2175 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [0,1,0,0,1,0|1,1,0]=4 2176 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [0,1,0,0,1,0|1,1,0]=4 2177 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [0,1,0,0,1,0|1,1,0]=4 2178 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [0,1,0,0,1,0|2,0,0]=4 2179 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [0,1,0,0,1,0|1,0,0]=3 2180 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [0,1,0,0,1,0|2,0,0]=4 2181 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [0,1,0,0,1,0|1,0,0]=3 2182 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [0,1,0,0,1,0|1,0,0]=3 2183 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [0,1,0,0,1,0|1,0,1]=4 2184 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [0,1,0,0,1,0|1,0,1]=4 2185 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [0,1,0,0,1,0|1,1,0]=4 2186 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [0,1,0,0,1,0|1,1,0]=4 2187 B11R1.19 CC(C)(O)c1ccc(cc1)O 271570a_203496583355_100000753367 [0,1,0,0,1,0|1,0,1]=4 2188 B11R1.19 CS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765142 [0,1,0,0,1,0|1,0,1]=4 2189 B11R1.19 NS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000701559 [0,1,0,0,1,0|1,0,1]=4 2190 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [0,1,0,0,1,0|2,0,0]=4 2191 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [0,1,0,0,1,0|2,0,0]=4 2192 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [0,1,0,0,1,0|2,0,0]=4 2193 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [0,1,0,0,1,0|2,0,0]=4 2194 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [0,1,0,0,1,0|2,0,0]=4 2195 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [0,1,0,0,1,0|2,0,0]=4 2196 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [0,1,0,0,1,0|2,0,0]=4 2197 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [0,1,0,0,1,0|2,0,0]=4 2198 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [0,1,0,0,1,0|2,0,0]=4 2199 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [0,1,0,0,1,0|2,0,0]=4 2200 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [0,1,0,0,1,0|2,0,0]=4 2201 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [0,1,0,0,1,0|2,0,0]=4 2202 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [0,1,0,0,1,0|1,0,0]=3 2203 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [0,1,0,0,1,0|1,0,0]=3 2204 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [0,1,0,0,1,0|2,0,0]=4 2205 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [0,1,0,0,1,0|2,0,0]=4 2206 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [0,1,0,0,1,0|2,0,0]=4 2207 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [0,1,0,0,1,0|2,0,0]=4 2208 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [0,1,0,0,1,0|2,0,0]=4 2209 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [0,1,0,0,1,0|1,0,0]=3 2210 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [0,1,0,0,1,0|1,0,0]=3 2211 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [0,1,0,0,1,0|2,0,0]=4 2212 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [0,1,0,0,1,0|2,0,0]=4 2213 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [0,1,0,0,1,0|2,0,0]=4 2214 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [0,1,0,0,1,0|2,0,0]=4 2215 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [0,1,0,0,1,0|2,0,0]=4 2216 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [0,1,0,0,1,0|1,0,0]=3 2217 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [0,1,0,0,1,0|2,0,0]=4 2218 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [0,1,0,0,1,0|2,0,0]=4 2219 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [0,1,0,0,1,0|2,0,0]=4 2220 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [0,1,0,0,1,0|2,0,0]=4 2221 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [0,1,0,0,1,0|2,0,0]=4 2222 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [0,1,0,0,1,0|1,0,0]=3 2223 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [0,1,0,0,1,0|1,0,0]=3 2224 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [0,1,0,0,1,0|2,0,0]=4 2225 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [0,1,0,0,1,0|2,0,0]=4 2226 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [0,1,0,0,1,0|2,0,0]=4 2227 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [0,1,0,0,1,0|2,0,0]=4 2228 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [0,1,0,0,1,0|2,0,0]=4 2229 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [0,1,0,0,1,0|1,0,0]=3 2230 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [0,1,0,0,1,0|1,0,0]=3 2231 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [0,1,0,0,1,0|2,0,0]=4 2232 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [0,1,0,0,1,0|2,0,0]=4 2233 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [0,1,0,0,1,0|2,0,0]=4 2234 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [0,1,0,0,1,0|2,0,0]=4 2235 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [0,1,0,0,1,0|2,0,0]=4 2236 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [0,1,0,0,1,0|2,0,0]=4 2237 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [0,1,0,0,1,0|2,0,0]=4 2238 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [0,1,0,0,1,0|2,0,0]=4 2239 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [0,1,0,0,1,0|2,0,0]=4 2240 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [0,1,0,0,1,0|1,0,0]=3 2241 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [0,1,0,0,1,0|1,0,0]=3 2242 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [0,1,0,0,1,0|2,0,0]=4 2243 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [0,1,0,0,1,0|2,0,0]=4 2244 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [0,1,0,0,1,0|2,0,0]=4 2245 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [0,1,0,0,1,0|2,0,0]=4 2246 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [0,1,0,0,1,0|2,0,0]=4 2247 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [0,1,0,0,1,0|1,0,1]=4 2248 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [0,1,0,0,1,0|1,0,0]=3 2249 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [0,1,0,0,1,0|1,0,0]=3 2250 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [0,1,0,0,1,0|2,0,0]=4 2251 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [0,1,0,0,1,0|2,0,0]=4 2252 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [0,1,0,0,1,0|2,0,0]=4 2253 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [0,1,0,0,1,0|2,0,0]=4 2254 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [0,1,0,0,1,0|2,0,0]=4 2255 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [0,1,0,0,1,0|2,0,0]=4 2256 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [0,1,0,0,1,0|2,0,0]=4 2257 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [0,1,0,0,1,0|1,0,0]=3 2258 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [0,1,0,0,1,0|1,0,0]=3 2259 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [0,1,0,0,1,0|2,0,0]=4 2260 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [0,1,0,0,1,0|1,0,0]=3 2261 B11R1.21 OB(O)c1ccc(c(c1)F)O 271570a_203496583355_100009813512 [0,1,0,0,1,0|1,0,1]=4 2262 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [0,1,0,0,1,0|2,0,0]=4 2263 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [0,1,0,0,1,0|2,0,0]=4 2264 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [0,1,0,0,1,0|2,0,0]=4 2265 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [0,1,0,0,1,0|2,0,0]=4 2266 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [0,1,0,0,1,0|1,0,0]=3 2267 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [0,1,0,0,1,0|2,0,0]=4 2268 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [0,1,0,0,1,0|2,0,0]=4 2269 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [0,1,0,0,1,0|2,0,0]=4 2270 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [0,1,0,0,1,0|2,0,0]=4 2271 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [0,1,0,0,1,0|1,0,0]=3 2272 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [0,1,0,0,1,0|2,0,0]=4 2273 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [0,1,0,0,1,0|2,0,0]=4 2274 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [0,1,0,0,1,0|2,0,0]=4 2275 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [0,1,0,0,1,0|2,0,0]=4 2276 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [0,1,0,0,1,0|1,0,0]=3 2277 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [0,1,0,0,1,0|2,0,0]=4 2278 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [0,1,0,0,1,0|2,0,0]=4 2279 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [0,1,0,0,1,0|2,0,0]=4 2280 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [0,1,0,0,1,0|2,0,0]=4 2281 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [0,1,0,0,1,0|1,0,0]=3 2282 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [0,1,0,0,1,0|2,0,0]=4 2283 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [0,1,0,0,1,0|2,0,0]=4 2284 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [0,1,0,0,1,0|2,0,0]=4 2285 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [0,1,0,0,1,0|2,0,0]=4 2286 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [0,1,0,0,1,0|1,0,0]=3 2287 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [0,1,0,0,1,0|2,0,0]=4 2288 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [0,1,0,0,1,0|2,0,0]=4 2289 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [0,1,0,0,1,0|2,0,0]=4 2290 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [0,1,0,0,1,0|2,0,0]=4 2291 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [0,1,0,0,1,0|2,0,0]=4 2292 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [0,1,0,0,1,0|2,0,0]=4 2293 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [0,1,0,0,1,0|2,0,0]=4 2294 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,1,0,0,1,0|2,0,0]=4 2295 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [0,1,0,0,1,0|2,0,0]=4 2296 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [0,1,0,0,1,0|2,0,0]=4 2297 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [0,1,0,0,1,0|2,0,0]=4 2298 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [0,1,0,0,1,0|1,0,0]=3 2299 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [0,1,0,0,1,0|2,0,0]=4 2300 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,1,0,0,1,0|2,0,0]=4 2301 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,1,0,0,1,0|2,0,0]=4 2302 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [0,1,0,0,1,0|2,0,0]=4 2303 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [0,1,0,0,1,0|2,0,0]=4 2304 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,1,0,0,1,0|1,0,0]=3 2305 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,1,0,0,1,0|1,0,0]=3 2306 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [0,1,0,0,1,0|2,0,0]=4 2307 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,1,0,0,1,0|2,0,0]=4 2308 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [0,1,0,0,1,0|2,0,0]=4 2309 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [0,1,0,0,1,0|2,0,0]=4 2310 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [0,1,0,0,1,0|2,0,0]=4 2311 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [0,1,0,0,1,0|1,0,0]=3 2312 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [0,1,0,0,1,0|2,0,0]=4 2313 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,1,0,0,1,0|2,0,0]=4 2314 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [0,1,0,0,1,0|2,0,0]=4 2315 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [0,1,0,0,1,0|2,0,0]=4 2316 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [0,1,0,0,1,0|2,0,0]=4 2317 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [0,1,0,0,1,0|1,0,0]=3 2318 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [0,1,0,0,1,0|1,0,0]=3 2319 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [0,1,0,0,1,0|2,0,0]=4 2320 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,1,0,0,1,0|2,0,0]=4 2321 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [0,1,0,0,1,0|2,0,0]=4 2322 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [0,1,0,0,1,0|2,0,0]=4 2323 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [0,1,0,0,1,0|1,0,0]=3 2324 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [0,1,0,0,1,0|2,0,0]=4 2325 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,1,0,0,1,0|2,0,0]=4 2326 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,1,0,0,1,0|2,0,0]=4 2327 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,1,0,0,1,0|2,0,0]=4 2328 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [0,1,0,0,1,0|2,0,0]=4 2329 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [0,1,0,0,1,0|2,0,0]=4 2330 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [0,1,0,0,1,0|2,0,0]=4 2331 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [0,1,0,0,1,0|1,0,0]=3 2332 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [0,1,0,0,1,0|1,0,0]=3 2333 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [0,1,0,0,1,0|1,0,0]=3 2334 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [0,1,0,0,1,0|2,0,0]=4 2335 B11R1.166 Cc1cc(ccc1B(O)O)O 271570a_203496583355_100010074995 [0,1,0,0,1,0|1,0,1]=4 2336 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [0,1,0,0,1,0|1,0,0]=3 2337 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [0,1,0,0,1,0|2,0,0]=4 2338 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,1,0,0,1,0|2,0,0]=4 2339 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [0,1,0,0,1,0|2,0,0]=4 2340 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [0,1,0,0,1,0|2,0,0]=4 2341 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,1,0,0,1,0|1,0,0]=3 2342 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [0,1,0,0,1,0|2,0,0]=4 2343 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,1,0,0,1,0|2,0,0]=4 2344 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,1,0,0,1,0|2,0,0]=4 2345 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,1,0,0,1,0|2,0,0]=4 2346 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,1,0,0,1,0|2,0,0]=4 2347 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,1,0,0,1,0|2,0,0]=4 2348 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,1,0,0,1,0|2,0,0]=4 2349 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [0,1,0,0,1,0|1,0,0]=3 2350 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [0,1,0,0,1,0|1,0,0]=3 2351 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [0,1,0,0,1,0|1,0,0]=3 2352 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [0,1,0,0,1,0|2,0,0]=4 2353 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [0,1,0,0,1,0|2,0,0]=4 2354 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [0,1,0,0,1,0|1,0,0]=3 2355 B11R1.166 NC(=O)c1ccc(nc1N)O 271570a_203496583355_100009875182 [0,1,0,0,1,0|2,0,0]=4 2356 B11R1.166 NC(=O)c1ncc(cc1F)O 271570a_203496583355_200010161073 [0,1,0,0,1,0|2,0,0]=4 2357 B11R1.166 NC(=O)c1ncc(cc1N)O 271570a_203496583355_100010235749 [0,1,0,0,1,0|2,0,0]=4 2358 B11R1.166 OB(O)c1ccc(cc1F)O 271570a_203496583355_100009813958 [0,1,0,0,1,0|1,0,1]=4 2359 B11R1.166 OB(O)c1ccc(cc1O)O 271570a_203496583355_100010158982 [0,1,0,0,1,0|1,0,1]=4 2360 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [0,1,0,0,1,0|2,0,0]=4 2361 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [0,1,0,0,1,0|2,0,0]=4 2362 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [0,1,0,0,1,0|2,0,0]=4 2363 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [0,1,0,0,1,0|2,0,0]=4 2364 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [0,1,0,0,1,0|1,0,0]=3 2365 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [0,1,0,0,1,0|2,0,0]=4 2366 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [0,1,0,0,1,0|2,0,0]=4 2367 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [0,1,0,0,1,0|2,0,0]=4 2368 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [0,1,0,0,1,0|2,0,0]=4 2369 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [0,1,0,0,1,0|1,0,0]=3 2370 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [0,1,0,0,1,0|2,0,0]=4 2371 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [0,1,0,0,1,0|2,0,0]=4 2372 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [0,1,0,0,1,0|2,0,0]=4 2373 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [0,1,0,0,1,0|2,0,0]=4 2374 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [0,1,0,0,1,0|1,0,0]=3 2375 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [0,1,0,0,1,0|2,0,0]=4 2376 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [0,1,0,0,1,0|2,0,0]=4 2377 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [0,1,0,0,1,0|2,0,0]=4 2378 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [0,1,0,0,1,0|2,0,0]=4 2379 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,1,0,0,1,0|2,0,0]=4 2380 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [0,1,0,0,1,0|2,0,0]=4 2381 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [0,1,0,0,1,0|2,0,0]=4 2382 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [0,1,0,0,1,0|1,0,0]=3 2383 B11R1.39 COC(=O)Cc1ccc(s1)O 271570a_203496583355_100012028946 [0,1,0,0,1,0|1,0,0]=3 2384 B11R1.39 COC(=O)Cc1csc(n1)O 271570a_203496583355_100010153560 [0,1,0,0,1,0|2,0,0]=4 2385 B11R1.39 COC(=O)Cn1cc(cn1)O 271570a_203496583355_100011398172 [0,1,0,0,1,0|2,0,0]=4 2386 B11R1.39 O=C(CO)Cc1cc(cs1)Br 1458a_100000210174_100000746031 [0,1,0,0,1,0|2,0,0]=4 2387 B11R1.39 O=C(CO)Cc1ccc(s1)Br 1458a_100000210174_100000708592 [0,1,0,0,1,0|2,0,0]=4 2388 B11R1.39 O=C(CO)Cc1ccc(s1)Cl 1458a_100000210174_100000185097 [0,1,0,0,1,0|2,0,0]=4 2389 B13R1.3 C#Cc1ccc(cc1)CNC(=O)C 11a_100015199678_100015343762 [0,1,0,0,0,1|2,0,0]=4 2390 B13R1.3 C#Cc1ccc(cc1)CNC(=O)C 1626a_100015199678_100015343762 [0,1,0,0,0,1|2,0,0]=4 2391 B13R1.3 C#Cc1ccc(cc1)CNC(=O)C 240690a_100015199678_100015343762 [0,1,0,0,0,1|2,0,0]=4 2392 B13R1.3 C#Cc1ccc(cc1)CNC(=O)C 527a_100015199678_100103153847 [0,1,0,0,0,1|2,0,0]=4 2393 B13R1.3 C#Cc1ccc(cc1)NCC(=O)N 34a_100011215031_100000187820 [0,1,0,0,0,1|2,0,0]=4 2394 B13R1.3 C#Cc1ccc(cc1)NCC(=O)[O-] 34a_100011215031_100020667443 [0,1,0,0,0,1|1,0,1]=4 2395 B13R1.3 C=C(C)CNc1ccc(cc1)CO 2230a_100011215238_100000748629 [0,1,0,0,0,1|2,0,0]=4 2396 B13R1.3 C=C(C)CNc1ccc(cc1)CO 34a_100011215238_100000748629 [0,1,0,0,0,1|2,0,0]=4 2397 B13R1.3 C=C(C)CNc1ccc(cc1)OC 34a_100000184247_100000748629 [0,1,0,0,0,1|2,0,0]=4 2398 B13R1.3 C=C(C)COc1ccc(cc1)CO 34a_100000211755_100000748629 [0,1,0,0,0,1|2,0,0]=4 2399 B13R1.3 C=C(C)COc1ccc(cc1)OC 34a_100000210503_100000748629 [0,1,0,0,0,1|2,0,0]=4 2400 B13R1.3 C=C(C)CSc1ccc(cc1)CO 62a_100000690907_100000211660 [0,1,0,0,0,1|2,0,0]=4 2401 B13R1.3 C=C(C)CSc1ccc(cc1)CO 62a_100000748629_100000690907 [0,1,0,0,0,1|2,0,0]=4 2402 B13R1.3 C=C(C)CSc1ccc(cc1)OC 62a_100000748629_100000171711 [0,1,0,0,0,1|2,0,0]=4 2403 B13R1.3 C=C(F)CNc1ccc(cc1)CO 2230a_100011215238_100009893438 [0,1,0,0,0,1|2,0,0]=4 2404 B13R1.3 C=C(F)CNc1ccc(cc1)CO 34a_100011215238_100009893438 [0,1,0,0,0,1|2,0,0]=4 2405 B13R1.3 C=C(F)CNc1ccc(cc1)OC 34a_100000184247_100009893438 [0,1,0,0,0,1|2,0,0]=4 2406 B13R1.3 C=C(F)COc1ccc(cc1)CO 34a_100000211755_100009893438 [0,1,0,0,0,1|2,0,0]=4 2407 B13R1.3 C=C(F)COc1ccc(cc1)OC 34a_100000210503_100009893438 [0,1,0,0,0,1|2,0,0]=4 2408 B13R1.3 C=C(F)CSc1ccc(cc1)CO 62a_100000042424_100000690907 [0,1,0,0,0,1|2,0,0]=4 2409 B13R1.3 C=C(F)CSc1ccc(cc1)CO 62a_100000690907_100000042424 [0,1,0,0,0,1|2,0,0]=4 2410 B13R1.3 C=C(F)CSc1ccc(cc1)OC 62a_100000042424_100000171711 [0,1,0,0,0,1|2,0,0]=4 2411 B13R1.3 C=Cc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000142037 [0,1,0,0,0,1|2,0,0]=4 2412 B13R1.3 C=Cc1ccc(cc1)CCC(=O)C 271570a_100011290941_100000723691 [0,1,0,0,0,1|2,0,0]=4 2413 B13R1.3 C=Cc1ccc(cc1)CCC(=O)N 271570a_100011290941_200010110666 [0,1,0,0,0,1|2,0,0]=4 2414 B13R1.3 C=Cc1ccc(cc1)CNC(=O)C 11a_200011934891_100015343762 [0,1,0,0,0,1|2,0,0]=4 2415 B13R1.3 C=Cc1ccc(cc1)CNC(=O)C 1626a_200011934891_100015343762 [0,1,0,0,0,1|2,0,0]=4 2416 B13R1.3 C=Cc1ccc(cc1)CNC(=O)C 240690a_200011934891_100015343762 [0,1,0,0,0,1|2,0,0]=4 2417 B13R1.3 C=Cc1ccc(cc1)CNC(=O)C 271570a_100011290941_200000685173 [0,1,0,0,0,1|2,0,0]=4 2418 B13R1.3 C=Cc1ccc(cc1)CNC(=O)C 527a_200011934891_100103153847 [0,1,0,0,0,1|2,0,0]=4 2419 B13R1.3 C=Cc1ccc(cc1)NCC(=O)N 34a_100011218248_100000187820 [0,1,0,0,0,1|2,0,0]=4 2420 B13R1.3 C=Cc1ccc(cc1)NCC(=O)[O-] 34a_100011218248_100020667443 [0,1,0,0,0,1|1,0,1]=4 2421 B13R1.3 C=Cc1ccc(cc1)OCC(=O)N 34a_100000189437_100000187820 [0,1,0,0,0,1|2,0,0]=4 2422 B13R1.3 C=Cc1ccc(cc1)OCC(=O)N 7a_100000189437_100000187820 [0,1,0,0,0,1|2,0,0]=4 2423 B13R1.3 C=Cc1ccc(cc1)OCC(=O)[O-] 34a_100000189437_100020667443 [0,1,0,0,0,1|1,0,1]=4 2424 B13R1.3 C=Cc1ccc(cc1)SCC(=O)N 271570a_100011290941_100000149456 [0,1,0,0,0,1|2,0,0]=4 2425 B13R1.3 C=Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000748128 [0,1,0,0,0,1|2,0,0]=4 2426 B13R1.3 C=Cc1ccc(cc1)SCC(=O)N 62a_100000748128_100000747473 [0,1,0,0,0,1|2,0,0]=4 2427 B13R1.3 C=Cc1ccc(cc1)SCC(=O)[O-] 62a_100000748128_100020667443 [0,1,0,0,0,1|1,0,1]=4 2428 B13R1.3 C=Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000748128 [0,1,0,0,0,1|1,0,1]=4 2429 B13R1.3 CC(=O)/C=C/c1ccc(cc1)O[13CH3] 34a_100000189429_200025704644 [0,1,0,0,0,1|1,0,1]=4 2430 B13R1.3 CC(=O)CCc1ccc(cc1)C#N 1458a_100000021948_200000210301 [0,1,0,0,0,1|2,0,0]=4 2431 B13R1.3 CC(=O)CCc1ccc(cc1)C#N 1458a_100000070787_100012161189 [0,1,0,0,0,1|2,0,0]=4 2432 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000198047_200025704644 [0,1,0,0,0,1|1,0,0]=3 2433 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000198047_200025704644 [0,1,0,0,0,1|1,0,0]=3 2434 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_100000723691_200025704644 [0,1,0,0,0,1|1,1,0]=4 2435 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_200025704644_100000723691 [0,1,0,0,0,1|1,1,0]=4 2436 B13R1.3 CC(=O)COc1ccc(cc1)C#N 1458a_100000182482_200000210301 [0,1,0,0,0,1|2,0,0]=4 2437 B13R1.3 CC(=O)COc1ccc(cc1)CO 1458a_100000730898_200000210301 [0,1,0,0,0,1|1,0,0]=3 2438 B13R1.3 CC(=O)NCc1ccc(cc1)C#N 11a_100015207190_100015343762 [0,1,0,0,0,1|2,0,0]=4 2439 B13R1.3 CC(=O)NCc1ccc(cc1)C#N 1626a_100015207190_100015343762 [0,1,0,0,0,1|2,0,0]=4 2440 B13R1.3 CC(=O)NCc1ccc(cc1)C#N 240690a_100015207190_100015343762 [0,1,0,0,0,1|2,0,0]=4 2441 B13R1.3 CC(=O)NCc1ccc(cc1)C#N 527a_100015207190_100103153847 [0,1,0,0,0,1|2,0,0]=4 2442 B13R1.3 CC(=O)NCc1ccc(cc1)CO 240690a_100015189231_100015343762 [0,1,0,0,0,1|1,0,0]=3 2443 B13R1.3 CC(=O)NCc1ccc(cc1)CO 527a_100015189231_100103153847 [0,1,0,0,0,1|1,0,0]=3 2444 B13R1.3 CC(=O)NCc1ccc(cc1)N[13CH3] 34a_100000755463_200025704644 [0,1,0,0,0,1|2,0,0]=4 2445 B13R1.3 CC(=O)NCc1ccc(cc1)S[13CH3] 62a_200000685173_200025704644 [0,1,0,0,0,1|1,1,0]=4 2446 B13R1.3 CC(=O)NCc1ccc(cc1)S[13CH3] 62a_200025704644_200000685173 [0,1,0,0,0,1|1,1,0]=4 2447 B13R1.3 CC(=O)NN=C1C=CC(=NO)C=C1 4a_100000189765_200000095120 [0,1,0,0,0,1|2,0,0]=4 2448 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 34a_100000189425_200025704644 [0,1,0,0,0,1|1,0,1]=4 2449 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 7a_100000189425_200025704644 [0,1,0,0,0,1|1,0,1]=4 2450 B13R1.3 CC(O)CNc1ccc(cc1)CO 2230a_100011215238_100011218427 [0,1,0,0,0,1|1,0,1]=4 2451 B13R1.3 CC(O)CNc1ccc(cc1)CO 34a_100011215238_100011218427 [0,1,0,0,0,1|1,0,1]=4 2452 B13R1.3 CC(O)COc1ccc(cc1)CO 34a_100000211755_100011218427 [0,1,0,0,0,1|1,0,1]=4 2453 B13R1.3 CC(O)CSc1ccc(cc1)CO 62a_100000690907_100011218427 [0,1,0,0,0,1|1,0,1]=4 2454 B13R1.3 CC(O)CSc1ccc(cc1)CO 62a_100011218427_100000690907 [0,1,0,0,0,1|1,0,1]=4 2455 B13R1.3 CCc1ccc(cc1)CCC(=O)C 1458a_100000195522_200000210301 [0,1,0,0,0,1|2,0,0]=4 2456 B13R1.3 CCc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000195522_200025704644 [0,1,0,0,0,1|2,0,0]=4 2457 B13R1.3 CCc1ccc(cc1)CNC(=O)C 11a_100000721222_100015343762 [0,1,0,0,0,1|2,0,0]=4 2458 B13R1.3 CCc1ccc(cc1)CNC(=O)C 1626a_100000721222_100015343762 [0,1,0,0,0,1|2,0,0]=4 2459 B13R1.3 CCc1ccc(cc1)CNC(=O)C 240690a_100000721222_100015343762 [0,1,0,0,0,1|2,0,0]=4 2460 B13R1.3 CCc1ccc(cc1)CNC(=O)C 527a_100000721222_100103153847 [0,1,0,0,0,1|2,0,0]=4 2461 B13R1.3 CCc1ccc(cc1)NCC(=O)N 2230a_100000211069_100000747473 [0,1,0,0,0,1|2,0,0]=4 2462 B13R1.3 CCc1ccc(cc1)NCC(=O)N 34a_100000211069_100000187820 [0,1,0,0,0,1|2,0,0]=4 2463 B13R1.3 CCc1ccc(cc1)NCC(=O)[O-] 34a_100000211069_100020667443 [0,1,0,0,0,1|1,0,1]=4 2464 B13R1.3 CCc1ccc(cc1)OCC(=O)C 1458a_100000182499_200000210301 [0,1,0,0,0,1|2,0,0]=4 2465 B13R1.3 CCc1ccc(cc1)OCC(=O)N 34a_100000211359_100000187820 [0,1,0,0,0,1|2,0,0]=4 2466 B13R1.3 CCc1ccc(cc1)OCC(=O)N 7a_100000211359_100000187820 [0,1,0,0,0,1|2,0,0]=4 2467 B13R1.3 CCc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182499_200025704644 [0,1,0,0,0,1|2,0,0]=4 2468 B13R1.3 CCc1ccc(cc1)OCC(=O)[O-] 34a_100000211359_100020667443 [0,1,0,0,0,1|1,0,1]=4 2469 B13R1.3 CCc1ccc(cc1)SCC(=O)N 62a_100000747473_100011215824 [0,1,0,0,0,1|2,0,0]=4 2470 B13R1.3 CCc1ccc(cc1)SCC(=O)N 62a_100011215824_100000747473 [0,1,0,0,0,1|2,0,0]=4 2471 B13R1.3 CCc1ccc(cc1)SCC(=O)[O-] 62a_100011215824_100020667443 [0,1,0,0,0,1|1,0,1]=4 2472 B13R1.3 CCc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100011215824 [0,1,0,0,0,1|1,0,1]=4 2473 B13R1.3 CNc1ccc(cc1)CNC(=O)C 34a_100000755463_200000210301 [0,1,0,0,0,1|2,0,0]=4 2474 B13R1.3 CNc1ccc(cc1)CNC(=O)N 34a_100000747042_200000210301 [0,1,0,0,0,1|2,0,0]=4 2475 B13R1.3 CNc1ccc(cc1)OCC(=O)N 2230a_100000238760_200000210301 [0,1,0,0,0,1|2,0,0]=4 2476 B13R1.3 CNc1ccc(cc1)OCC(=O)N 34a_100000182112_100000187820 [0,1,0,0,0,1|2,0,0]=4 2477 B13R1.3 CNc1ccc(cc1)OCC(=O)N 34a_100000238760_200000210301 [0,1,0,0,0,1|2,0,0]=4 2478 B13R1.3 CNc1ccc(cc1)OCC(=O)[O-] 34a_100000182112_100020667443 [0,1,0,0,0,1|1,0,1]=4 2479 B13R1.3 CNc1ccc(cc1)SCC(=O)N 62a_100000743151_100000747473 [0,1,0,0,0,1|2,0,0]=4 2480 B13R1.3 CNc1ccc(cc1)SCC(=O)N 62a_100000747473_100000743151 [0,1,0,0,0,1|2,0,0]=4 2481 B13R1.3 CNc1ccc(cc1)SCC(=O)[O-] 62a_100000743151_100020667443 [0,1,0,0,0,1|1,0,1]=4 2482 B13R1.3 CNc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000743151 [0,1,0,0,0,1|1,0,1]=4 2483 B13R1.3 COc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_200000210301 [0,1,0,0,0,1|1,0,1]=4 2484 B13R1.3 COc1ccc(cc1)C#CC(=O)C 1458a_100000185621_200000210301 [0,1,0,0,0,1|1,0,1]=4 2485 B13R1.3 COc1ccc(cc1)C#CC(=O)[13CH3] 1458a_100000185621_200025704644 [0,1,0,0,0,1|1,0,1]=4 2486 B13R1.3 COc1ccc(cc1)C=CC(=O)C 1458a_100000184205_200000210301 [0,1,0,0,0,1|1,0,1]=4 2487 B13R1.3 COc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000184205_200025704644 [0,1,0,0,0,1|1,0,1]=4 2488 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000184700 [0,1,0,0,0,1|1,0,0]=3 2489 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000211712_200000210301 [0,1,0,0,0,1|1,0,0]=3 2490 B13R1.3 COc1ccc(cc1)CCC(=O)C 34a_100000198047_200000210301 [0,1,0,0,0,1|1,0,0]=3 2491 B13R1.3 COc1ccc(cc1)CCC(=O)C 7a_100000198047_200000210301 [0,1,0,0,0,1|1,0,0]=3 2492 B13R1.3 COc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000211712_200025704644 [0,1,0,0,0,1|1,0,0]=3 2493 B13R1.3 COc1ccc(cc1)CCC(C)O 34a_100000189425_200000210301 [0,1,0,0,0,1|1,0,1]=4 2494 B13R1.3 COc1ccc(cc1)CCC(C)O 7a_100000189425_200000210301 [0,1,0,0,0,1|1,0,1]=4 2495 B13R1.3 COc1ccc(cc1)CNC(=O)C 11a_100000185587_100015343762 [0,1,0,0,0,1|1,0,0]=3 2496 B13R1.3 COc1ccc(cc1)CNC(=O)C 1626a_100000185587_100015343762 [0,1,0,0,0,1|1,0,0]=3 2497 B13R1.3 COc1ccc(cc1)CNC(=O)C 240690a_100000185587_100015343762 [0,1,0,0,0,1|1,0,0]=3 2498 B13R1.3 COc1ccc(cc1)CNC(=O)C 527a_100000185587_100103153847 [0,1,0,0,0,1|1,0,0]=3 2499 B13R1.3 COc1ccc(cc1)NCC(=O)N 34a_100000184247_100000187820 [0,1,0,0,0,1|1,0,0]=3 2500 B13R1.3 COc1ccc(cc1)NCC(=O)[O-] 34a_100000184247_100020667443 [0,1,0,0,0,1|0,0,1]=3 2501 B13R1.3 COc1ccc(cc1)NCC(C)O 34a_100000184247_100011218427 [0,1,0,0,0,1|1,0,1]=4 2502 B13R1.3 COc1ccc(cc1)NC[C@@H](C)O 34a_100000184247_100009817552 [0,1,0,0,0,1|1,0,1]=4 2503 B13R1.3 COc1ccc(cc1)NC[N+](=O)[O-] 34a_100000184247_100000761209 [0,1,0,0,0,1|1,0,1]=4 2504 B13R1.3 COc1ccc(cc1)NNC(=O)C 22a_100000005221_100000070787 [0,1,0,0,0,1|2,0,0]=4 2505 B13R1.3 COc1ccc(cc1)OCC(=O)C 1458a_100000186439_200000210301 [0,1,0,0,0,1|1,0,0]=3 2506 B13R1.3 COc1ccc(cc1)OCC(=O)N 34a_100000210503_100000187820 [0,1,0,0,0,1|1,0,0]=3 2507 B13R1.3 COc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000186439_200025704644 [0,1,0,0,0,1|1,0,0]=3 2508 B13R1.3 COc1ccc(cc1)OCC(=O)[O-] 34a_100000210503_100020667443 [0,1,0,0,0,1|0,0,1]=3 2509 B13R1.3 COc1ccc(cc1)OCC(C)O 34a_100000210503_100011218427 [0,1,0,0,0,1|1,0,1]=4 2510 B13R1.3 COc1ccc(cc1)OC[C@@H](C)O 34a_100000210503_100009817552 [0,1,0,0,0,1|1,0,1]=4 2511 B13R1.3 COc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210503_100000761209 [0,1,0,0,0,1|1,0,1]=4 2512 B13R1.3 COc1ccc(cc1)SCC(=O)C 1458a_100000182033_200000210301 [0,1,0,0,0,1|1,0,0]=3 2513 B13R1.3 COc1ccc(cc1)SCC(=O)N 62a_100000747473_100000171711 [0,1,0,0,0,1|1,0,0]=3 2514 B13R1.3 COc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000182033_200025704644 [0,1,0,0,0,1|1,0,0]=3 2515 B13R1.3 COc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000171711 [0,1,0,0,0,1|0,0,1]=3 2516 B13R1.3 COc1ccc(cc1)SCC(C)O 62a_100011218427_100000171711 [0,1,0,0,0,1|1,0,1]=4 2517 B13R1.3 COc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000171711 [0,1,0,0,0,1|1,0,1]=4 2518 B13R1.3 COc1ccc(cn1)CNC(=O)C 11a_100000241975_100015343762 [0,1,0,0,0,1|2,0,0]=4 2519 B13R1.3 COc1ccc(cn1)CNC(=O)C 1626a_100000241975_100015343762 [0,1,0,0,0,1|2,0,0]=4 2520 B13R1.3 COc1ccc(cn1)CNC(=O)C 240690a_100000241975_100015343762 [0,1,0,0,0,1|2,0,0]=4 2521 B13R1.3 COc1ccc(cn1)CNC(=O)C 527a_100000241975_100103153847 [0,1,0,0,0,1|2,0,0]=4 2522 B13R1.3 COc1ccc(cn1)OCC(=O)N 34a_100011934560_100000187820 [0,1,0,0,0,1|2,0,0]=4 2523 B13R1.3 COc1ccc(cn1)OCC(=O)[O-] 34a_100011934560_100020667443 [0,1,0,0,0,1|1,0,1]=4 2524 B13R1.3 COc1ccc(cn1)SCC(=O)N 62a_100000047065_100000747473 [0,1,0,0,0,1|2,0,0]=4 2525 B13R1.3 COc1ccc(cn1)SCC(=O)N 62a_100000747473_100000047065 [0,1,0,0,0,1|2,0,0]=4 2526 B13R1.3 COc1ccc(cn1)SCC(=O)[O-] 62a_100000047065_100020667443 [0,1,0,0,0,1|1,0,1]=4 2527 B13R1.3 COc1ccc(cn1)SCC(=O)[O-] 62a_100020667443_100000047065 [0,1,0,0,0,1|1,0,1]=4 2528 B13R1.3 COc1ccc(nc1)CNC(=O)C 11a_100000703904_100015343762 [0,1,0,0,0,1|2,0,0]=4 2529 B13R1.3 COc1ccc(nc1)CNC(=O)C 1626a_100000703904_100015343762 [0,1,0,0,0,1|2,0,0]=4 2530 B13R1.3 COc1ccc(nc1)CNC(=O)C 240690a_100000703904_100015343762 [0,1,0,0,0,1|2,0,0]=4 2531 B13R1.3 COc1ccc(nc1)CNC(=O)C 527a_100000703904_100103153847 [0,1,0,0,0,1|2,0,0]=4 2532 B13R1.3 COc1ccc(nc1)OCC(=O)N 34a_100012002028_100000187820 [0,1,0,0,0,1|2,0,0]=4 2533 B13R1.3 COc1ccc(nc1)OCC(=O)[O-] 34a_100012002028_100020667443 [0,1,0,0,0,1|1,0,1]=4 2534 B13R1.3 COc1ccc(nc1)SCC(=O)N 62a_100000747473_100000744180 [0,1,0,0,0,1|2,0,0]=4 2535 B13R1.3 COc1ccc(nc1)SCC(=O)N 62a_100000755202_100000747473 [0,1,0,0,0,1|2,0,0]=4 2536 B13R1.3 COc1ccc(nc1)SCC(=O)[O-] 62a_100000755202_100020667443 [0,1,0,0,0,1|1,0,1]=4 2537 B13R1.3 COc1ccc(nc1)SCC(=O)[O-] 62a_100020667443_100000744180 [0,1,0,0,0,1|1,0,1]=4 2538 B13R1.3 CSc1ccc(cc1)CCC(=O)C 1458a_100011252364_200000210301 [0,1,0,0,0,1|1,1,0]=4 2539 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_100000723691_200000210301 [0,1,0,0,0,1|1,1,0]=4 2540 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_200000210301_100000723691 [0,1,0,0,0,1|1,1,0]=4 2541 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200000210301_200010110666 [0,1,0,0,0,1|1,1,0]=4 2542 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200010110666_200000210301 [0,1,0,0,0,1|1,1,0]=4 2543 B13R1.3 CSc1ccc(cc1)CCC(=O)[13CH3] 1458a_100011252364_200025704644 [0,1,0,0,0,1|1,1,0]=4 2544 B13R1.3 CSc1ccc(cc1)CNC(=O)C 11a_100000174980_100015343762 [0,1,0,0,0,1|1,1,0]=4 2545 B13R1.3 CSc1ccc(cc1)CNC(=O)C 240690a_100000174980_100015343762 [0,1,0,0,0,1|1,1,0]=4 2546 B13R1.3 CSc1ccc(cc1)CNC(=O)C 527a_100000174980_100103153847 [0,1,0,0,0,1|1,1,0]=4 2547 B13R1.3 CSc1ccc(cc1)CNC(=O)C 62a_200000210301_200000685173 [0,1,0,0,0,1|1,1,0]=4 2548 B13R1.3 CSc1ccc(cc1)CNC(=O)C 62a_200000685173_200000210301 [0,1,0,0,0,1|1,1,0]=4 2549 B13R1.3 CSc1ccc(cc1)NCC(=O)N 34a_100000212337_100000187820 [0,1,0,0,0,1|1,1,0]=4 2550 B13R1.3 CSc1ccc(cc1)NCC(=O)[O-] 34a_100000212337_100020667443 [0,1,0,0,0,1|0,1,1]=4 2551 B13R1.3 CSc1ccc(cc1)OCC(=O)N 34a_100000211864_100000187820 [0,1,0,0,0,1|1,1,0]=4 2552 B13R1.3 CSc1ccc(cc1)OCC(=O)[O-] 34a_100000211864_100020667443 [0,1,0,0,0,1|0,1,1]=4 2553 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100000149456_200000210301 [0,1,0,0,0,1|1,1,0]=4 2554 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100000747473_100011263217 [0,1,0,0,0,1|1,1,0]=4 2555 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100011263217_100000747473 [0,1,0,0,0,1|1,1,0]=4 2556 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_200000210301_100000149456 [0,1,0,0,0,1|1,1,0]=4 2557 B13R1.3 CSc1ccc(cc1)SCC(=O)[O-] 62a_100011263217_100020667443 [0,1,0,0,0,1|0,1,1]=4 2558 B13R1.3 CSc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100011263217 [0,1,0,0,0,1|0,1,1]=4 2559 B13R1.3 C[C@@H](O)CNc1ccc(cc1)CO 2230a_100011215238_100009817552 [0,1,0,0,0,1|1,0,1]=4 2560 B13R1.3 C[C@@H](O)CNc1ccc(cc1)CO 34a_100011215238_100009817552 [0,1,0,0,0,1|1,0,1]=4 2561 B13R1.3 C[C@@H](O)COc1ccc(cc1)CO 34a_100000211755_100009817552 [0,1,0,0,0,1|1,0,1]=4 2562 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CO 62a_100000690907_100009817552 [0,1,0,0,0,1|1,0,1]=4 2563 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CO 62a_100009817552_100000690907 [0,1,0,0,0,1|1,0,1]=4 2564 B13R1.3 N#Cc1ccc(cc1)NCC(=O)N 34a_100000185469_100000187820 [0,1,0,0,0,1|2,0,0]=4 2565 B13R1.3 N#Cc1ccc(cc1)NCC(=O)[O-] 34a_100000185469_100020667443 [0,1,0,0,0,1|1,0,1]=4 2566 B13R1.3 N#Cc1ccc(cc1)OCC(=O)N 34a_100000210344_100000187820 [0,1,0,0,0,1|2,0,0]=4 2567 B13R1.3 N#Cc1ccc(cc1)OCC(=O)N 7a_100000210344_100000187820 [0,1,0,0,0,1|2,0,0]=4 2568 B13R1.3 N#Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210344_100020667443 [0,1,0,0,0,1|1,0,1]=4 2569 B13R1.3 N#Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000184291 [0,1,0,0,0,1|2,0,0]=4 2570 B13R1.3 N#Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000184291 [0,1,0,0,0,1|1,0,1]=4 2571 B13R1.3 NC(=O)CNc1ccc(cc1)CO 2230a_100011215238_100000747473 [0,1,0,0,0,1|1,0,0]=3 2572 B13R1.3 NC(=O)CNc1ccc(cc1)CO 34a_100011215238_100000187820 [0,1,0,0,0,1|1,0,0]=3 2573 B13R1.3 NC(=O)COc1ccc(cc1)CO 34a_100000211755_100000187820 [0,1,0,0,0,1|1,0,0]=3 2574 B13R1.3 NC(=O)COc1ccc(nc1)CO 34a_103436540053_100000187820 [0,1,0,0,0,1|2,0,0]=4 2575 B13R1.3 NC(=O)CSc1ccc(cc1)C=O 62a_100000188517_100000747473 [0,1,0,0,0,1|1,0,1]=4 2576 B13R1.3 NC(=O)CSc1ccc(cc1)C=O 62a_100000747473_100000188517 [0,1,0,0,0,1|1,0,1]=4 2577 B13R1.3 NC(=O)CSc1ccc(cc1)CF 62a_100000747473_100010268989 [0,1,0,0,0,1|2,0,0]=4 2578 B13R1.3 NC(=O)CSc1ccc(cc1)CF 62a_100010268989_100000747473 [0,1,0,0,0,1|2,0,0]=4 2579 B13R1.3 NC(=O)CSc1ccc(cc1)CO 62a_100000690907_100000747473 [0,1,0,0,0,1|1,0,0]=3 2580 B13R1.3 NC(=O)CSc1ccc(cc1)CO 62a_100000747473_100000690907 [0,1,0,0,0,1|1,0,0]=3 2581 B13R1.3 NC(=O)CSc1ccc(cn1)CO 62a_100000747473_100009816760 [0,1,0,0,0,1|2,0,0]=4 2582 B13R1.3 NC(=O)CSc1ccc(cn1)CO 62a_100009816760_100000747473 [0,1,0,0,0,1|2,0,0]=4 2583 B13R1.3 NC(=O)CSc1ccc(nc1)CO 62a_100000747473_100000754261 [0,1,0,0,0,1|2,0,0]=4 2584 B13R1.3 NC(=O)CSc1ccc(nc1)CO 62a_100000754261_100000747473 [0,1,0,0,0,1|2,0,0]=4 2585 B13R1.3 NCc1ccc(cc1)OCC(=O)N 34a_100000185549_100000187820 [0,1,0,0,0,1|2,0,0]=4 2586 B13R1.3 NCc1ccc(cc1)OCC(=O)[O-] 34a_100000185549_100020667443 [0,1,0,0,0,1|1,0,1]=4 2587 B13R1.3 NCc1ccc(cc1)SCC(=O)N 62a_100000747473_100016989417 [0,1,0,0,0,1|2,0,0]=4 2588 B13R1.3 NCc1ccc(cc1)SCC(=O)N 62a_100016989417_100000747473 [0,1,0,0,0,1|2,0,0]=4 2589 B13R1.3 NCc1ccc(cc1)SCC(=O)[O-] 62a_100016989417_100020667443 [0,1,0,0,0,1|1,0,1]=4 2590 B13R1.3 NCc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100016989417 [0,1,0,0,0,1|1,0,1]=4 2591 B13R1.3 NNc1ccc(cc1)SCC(=O)N 62a_100000747473_100016988836 [0,1,0,0,0,1|2,0,0]=4 2592 B13R1.3 NNc1ccc(cc1)SCC(=O)N 62a_100016988836_100000747473 [0,1,0,0,0,1|2,0,0]=4 2593 B13R1.3 NNc1ccc(cc1)SCC(=O)[O-] 62a_100016988836_100020667443 [0,1,0,0,0,1|1,0,1]=4 2594 B13R1.3 NNc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100016988836 [0,1,0,0,0,1|1,0,1]=4 2595 B13R1.3 O=C([O-])CNc1ccc(cc1)CO 34a_100011215238_100020667443 [0,1,0,0,0,1|0,0,1]=3 2596 B13R1.3 O=C([O-])COc1ccc(cc1)CO 34a_100000211755_100020667443 [0,1,0,0,0,1|0,0,1]=3 2597 B13R1.3 O=C([O-])COc1ccc(nc1)CO 34a_103436540053_100020667443 [0,1,0,0,0,1|1,0,1]=4 2598 B13R1.3 O=C([O-])CSc1ccc(cc1)CF 62a_100010268989_100020667443 [0,1,0,0,0,1|1,0,1]=4 2599 B13R1.3 O=C([O-])CSc1ccc(cc1)CF 62a_100020667443_100010268989 [0,1,0,0,0,1|1,0,1]=4 2600 B13R1.3 O=C([O-])CSc1ccc(cc1)CO 62a_100000690907_100020667443 [0,1,0,0,0,1|0,0,1]=3 2601 B13R1.3 O=C([O-])CSc1ccc(cc1)CO 62a_100020667443_100000690907 [0,1,0,0,0,1|0,0,1]=3 2602 B13R1.3 O=C([O-])CSc1ccc(cn1)CO 62a_100009816760_100020667443 [0,1,0,0,0,1|1,0,1]=4 2603 B13R1.3 O=C([O-])CSc1ccc(cn1)CO 62a_100020667443_100009816760 [0,1,0,0,0,1|1,0,1]=4 2604 B13R1.3 O=C([O-])CSc1ccc(nc1)CO 62a_100000754261_100020667443 [0,1,0,0,0,1|1,0,1]=4 2605 B13R1.3 O=C([O-])CSc1ccc(nc1)CO 62a_100020667443_100000754261 [0,1,0,0,0,1|1,0,1]=4 2606 B13R1.3 O=Cc1ccc(cc1)SCC(=O)[O-] 62a_100000188517_100020667443 [0,1,0,0,0,1|0,0,2]=4 2607 B13R1.3 O=Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000188517 [0,1,0,0,0,1|0,0,2]=4 2608 B13R1.3 O=[N+]([O-])CNc1ccc(cc1)CO 34a_100011215238_100000761209 [0,1,0,0,0,1|1,0,1]=4 2609 B13R1.3 O=[N+]([O-])COc1ccc(cc1)CO 34a_100000211755_100000761209 [0,1,0,0,0,1|1,0,1]=4 2610 B13R1.3 O=[N+]([O-])CSc1ccc(cc1)CO 62a_100000690907_100000761209 [0,1,0,0,0,1|1,0,1]=4 2611 B13R1.3 [13CH3]C(=O)CCc1ccc(cc1)C#N 1458a_100000021948_200025704644 [0,1,0,0,0,1|2,0,0]=4 2612 B13R1.3 [13CH3]C(=O)COc1ccc(cc1)C#N 1458a_100000182482_200025704644 [0,1,0,0,0,1|2,0,0]=4 2613 B13R1.3 [13CH3]C(=O)COc1ccc(cc1)CO 1458a_100000730898_200025704644 [0,1,0,0,0,1|1,0,0]=3 2614 B13R1.3 [13CH3]Nc1ccc(cc1)CNC(=O)N 34a_100000747042_200025704644 [0,1,0,0,0,1|2,0,0]=4 2615 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(=O)N 2230a_100000238760_200025704644 [0,1,0,0,0,1|2,0,0]=4 2616 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(=O)N 34a_100000238760_200025704644 [0,1,0,0,0,1|2,0,0]=4 2617 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200010110666_200025704644 [0,1,0,0,0,1|1,1,0]=4 2618 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200025704644_200010110666 [0,1,0,0,0,1|1,1,0]=4 2619 B13R1.3 [13CH3]Sc1ccc(cc1)SCC(=O)N 62a_100000149456_200025704644 [0,1,0,0,0,1|1,1,0]=4 2620 B13R1.3 [13CH3]Sc1ccc(cc1)SCC(=O)N 62a_200025704644_100000149456 [0,1,0,0,0,1|1,1,0]=4 2621 B13R1.14 C#CC(=O)CCc1ccc(cc1)Br 1458a_100000211873_100011740612 [0,1,0,0,0,1|2,0,0]=4 2622 B13R1.14 C#CC(=O)CCc1ccc(cc1)C 1458a_100000211873_100011713686 [0,1,0,0,0,1|2,0,0]=4 2623 B13R1.14 C#CC(=O)CCc1ccc(cc1)Cl 1458a_100000211873_100011713675 [0,1,0,0,0,1|2,0,0]=4 2624 B13R1.14 C#CC(=O)CCc1ccc(cc1)F 1458a_100000211873_100011217392 [0,1,0,0,0,1|2,0,0]=4 2625 B13R1.14 C#CC(=O)CCc1ccc(cc1)O 1458a_100000211873_100009816426 [0,1,0,0,0,1|1,0,0]=3 2626 B13R1.14 C=C(C#N)CNc1ccc(cc1)O 34a_100000185829_100000694840 [0,1,0,0,0,1|2,0,0]=4 2627 B13R1.14 C=CC(=O)CCc1ccc(cc1)Br 1458a_100000185746_100011740612 [0,1,0,0,0,1|2,0,0]=4 2628 B13R1.14 C=CC(=O)CCc1ccc(cc1)C 1458a_100000185746_100011713686 [0,1,0,0,0,1|2,0,0]=4 2629 B13R1.14 C=CC(=O)CCc1ccc(cc1)Cl 1458a_100000185746_100011713675 [0,1,0,0,0,1|2,0,0]=4 2630 B13R1.14 C=CC(=O)CCc1ccc(cc1)F 1458a_100000185746_100011217392 [0,1,0,0,0,1|2,0,0]=4 2631 B13R1.14 C=CC(=O)CCc1ccc(cc1)O 1458a_100000185746_100009816426 [0,1,0,0,0,1|1,0,0]=3 2632 B13R1.14 C=CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000185746 [0,1,0,0,0,1|2,0,0]=4 2633 B13R1.14 C=CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_200121576911 [0,1,0,0,0,1|2,0,0]=4 2634 B13R1.14 C=CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100000185746 [0,1,0,0,0,1|2,0,0]=4 2635 B13R1.14 C=CC(=O)NCc1ccc(cc1)C 240690a_100000174908_200121576911 [0,1,0,0,0,1|2,0,0]=4 2636 B13R1.14 C=CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000185746 [0,1,0,0,0,1|2,0,0]=4 2637 B13R1.14 C=CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_200121576911 [0,1,0,0,0,1|2,0,0]=4 2638 B13R1.14 C=CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100000185746 [0,1,0,0,0,1|2,0,0]=4 2639 B13R1.14 C=CC(=O)NCc1ccc(cc1)F 240690a_100000174882_200121576911 [0,1,0,0,0,1|2,0,0]=4 2640 B13R1.14 C=CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000185746 [0,1,0,0,0,1|2,0,0]=4 2641 B13R1.14 C=CC(=O)NCc1ccc(cc1)I 240690a_100016989417_200121576911 [0,1,0,0,0,1|2,0,0]=4 2642 B13R1.14 C=CC(=O)NCc1ccc(cc1)O 240690a_100000185549_200121576911 [0,1,0,0,0,1|1,0,0]=3 2643 B13R1.14 C=CC(=O)NCc1ccc(cn1)O 240690a_100020605196_200121576911 [0,1,0,0,0,1|2,0,0]=4 2644 B13R1.14 C=CC(=O)NCc1ccc(nc1)O 240690a_100000757128_200121576911 [0,1,0,0,0,1|2,0,0]=4 2645 B13R1.14 C=CC(O)CNc1ccc(cc1)O 34a_100000185829_100000730141 [0,1,0,0,0,1|1,0,1]=4 2646 B13R1.14 C=CC(O)CSc1ccc(cc1)O 62a_100000730141_100000185759 [0,1,0,0,0,1|1,0,1]=4 2647 B13R1.14 CC(CO)NCc1ccc(cc1)O 34a_100000185549_100012180447 [0,1,0,0,0,1|1,0,1]=4 2648 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000210414_100011740612 [0,1,0,0,0,1|2,0,0]=4 2649 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210202 [0,1,0,0,0,1|2,0,0]=4 2650 B13R1.14 CCC(=O)CCc1ccc(cc1)C 1458a_100000210414_100011713686 [0,1,0,0,0,1|2,0,0]=4 2651 B13R1.14 CCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100000210202 [0,1,0,0,0,1|2,0,0]=4 2652 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000210414_100011713675 [0,1,0,0,0,1|2,0,0]=4 2653 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210202 [0,1,0,0,0,1|2,0,0]=4 2654 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210202 [0,1,0,0,0,1|2,0,0]=4 2655 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000210414_100011217392 [0,1,0,0,0,1|2,0,0]=4 2656 B13R1.14 CCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210202 [0,1,0,0,0,1|2,0,0]=4 2657 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000210414_100009816426 [0,1,0,0,0,1|1,0,0]=3 2658 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210202 [0,1,0,0,0,1|1,0,0]=3 2659 B13R1.14 CCC(=O)COc1ccc(cc1)Br 1458a_100000182358_100000210202 [0,1,0,0,0,1|2,0,0]=4 2660 B13R1.14 CCC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747405 [0,1,0,0,0,1|2,0,0]=4 2661 B13R1.14 CCC(=O)COc1ccc(cc1)C 1458a_100000182360_100000210202 [0,1,0,0,0,1|2,0,0]=4 2662 B13R1.14 CCC(=O)COc1ccc(cc1)C 7a_100000210336_100000747405 [0,1,0,0,0,1|2,0,0]=4 2663 B13R1.14 CCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210202 [0,1,0,0,0,1|2,0,0]=4 2664 B13R1.14 CCC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747405 [0,1,0,0,0,1|2,0,0]=4 2665 B13R1.14 CCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000210202 [0,1,0,0,0,1|2,0,0]=4 2666 B13R1.14 CCC(=O)COc1ccc(cc1)I 1458a_100000184369_100000210202 [0,1,0,0,0,1|2,0,0]=4 2667 B13R1.14 CCC(=O)COc1ccc(cc1)I 7a_100000212066_100000747405 [0,1,0,0,0,1|2,0,0]=4 2668 B13R1.14 CCC(=O)COc1ccc(cc1)O 1458a_100000031633_100000210202 [0,1,0,0,0,1|1,0,0]=3 2669 B13R1.14 CCC(=O)CSc1ccc(cc1)Br 1458a_100000179496_100000210202 [0,1,0,0,0,1|2,0,0]=4 2670 B13R1.14 CCC(=O)CSc1ccc(cc1)Br 62a_100000747405_100000752885 [0,1,0,0,0,1|2,0,0]=4 2671 B13R1.14 CCC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747405 [0,1,0,0,0,1|2,0,0]=4 2672 B13R1.14 CCC(=O)CSc1ccc(cc1)C 1458a_100000179497_100000210202 [0,1,0,0,0,1|2,0,0]=4 2673 B13R1.14 CCC(=O)CSc1ccc(cc1)C 62a_100000186775_100000747405 [0,1,0,0,0,1|2,0,0]=4 2674 B13R1.14 CCC(=O)CSc1ccc(cc1)C 62a_100000747405_100000186775 [0,1,0,0,0,1|2,0,0]=4 2675 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_100000210202 [0,1,0,0,0,1|2,0,0]=4 2676 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 62a_100000747405_100000755918 [0,1,0,0,0,1|2,0,0]=4 2677 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747405 [0,1,0,0,0,1|2,0,0]=4 2678 B13R1.14 CCC(=O)CSc1ccc(cc1)F 1458a_100000691584_100000210202 [0,1,0,0,0,1|2,0,0]=4 2679 B13R1.14 CCC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747405 [0,1,0,0,0,1|2,0,0]=4 2680 B13R1.14 CCC(=O)CSc1ccc(cc1)F 62a_100000747405_100000211213 [0,1,0,0,0,1|2,0,0]=4 2681 B13R1.14 CCC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747405 [0,1,0,0,0,1|2,0,0]=4 2682 B13R1.14 CCC(=O)CSc1ccc(cc1)N 62a_100000747405_100000185761 [0,1,0,0,0,1|2,0,0]=4 2683 B13R1.14 CCC(=O)CSc1ccc(cc1)O 62a_100000747405_100000185759 [0,1,0,0,0,1|1,0,0]=3 2684 B13R1.14 CCC(=O)CSc1ccc(cn1)O 62a_100000685995_100000747405 [0,1,0,0,0,1|2,0,0]=4 2685 B13R1.14 CCC(=O)CSc1ccc(cn1)O 62a_100000747405_100000744096 [0,1,0,0,0,1|2,0,0]=4 2686 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 11a_100000174875_100000210414 [0,1,0,0,0,1|2,0,0]=4 2687 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000210414 [0,1,0,0,0,1|2,0,0]=4 2688 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100000210414 [0,1,0,0,0,1|2,0,0]=4 2689 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 527a_100000174875_100000210414 [0,1,0,0,0,1|2,0,0]=4 2690 B13R1.14 CCC(=O)NCc1ccc(cc1)C 11a_100000174908_100000210414 [0,1,0,0,0,1|2,0,0]=4 2691 B13R1.14 CCC(=O)NCc1ccc(cc1)C 1626a_100000174908_100000210414 [0,1,0,0,0,1|2,0,0]=4 2692 B13R1.14 CCC(=O)NCc1ccc(cc1)C 240690a_100000174908_100000210414 [0,1,0,0,0,1|2,0,0]=4 2693 B13R1.14 CCC(=O)NCc1ccc(cc1)C 527a_100000174908_100000210414 [0,1,0,0,0,1|2,0,0]=4 2694 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100000210414 [0,1,0,0,0,1|2,0,0]=4 2695 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000210414 [0,1,0,0,0,1|2,0,0]=4 2696 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100000210414 [0,1,0,0,0,1|2,0,0]=4 2697 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100000210414 [0,1,0,0,0,1|2,0,0]=4 2698 B13R1.14 CCC(=O)NCc1ccc(cc1)F 11a_100000174882_100000210414 [0,1,0,0,0,1|2,0,0]=4 2699 B13R1.14 CCC(=O)NCc1ccc(cc1)F 1626a_100000174882_100000210414 [0,1,0,0,0,1|2,0,0]=4 2700 B13R1.14 CCC(=O)NCc1ccc(cc1)F 240690a_100000174882_100000210414 [0,1,0,0,0,1|2,0,0]=4 2701 B13R1.14 CCC(=O)NCc1ccc(cc1)F 527a_100000174882_100000210414 [0,1,0,0,0,1|2,0,0]=4 2702 B13R1.14 CCC(=O)NCc1ccc(cc1)I 11a_100016989417_100000210414 [0,1,0,0,0,1|2,0,0]=4 2703 B13R1.14 CCC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000210414 [0,1,0,0,0,1|2,0,0]=4 2704 B13R1.14 CCC(=O)NCc1ccc(cc1)I 240690a_100016989417_100000210414 [0,1,0,0,0,1|2,0,0]=4 2705 B13R1.14 CCC(=O)NCc1ccc(cc1)I 527a_100016989417_100000210414 [0,1,0,0,0,1|2,0,0]=4 2706 B13R1.14 CCC(=O)NCc1ccc(cc1)O 240690a_100000185549_100000210414 [0,1,0,0,0,1|1,0,0]=3 2707 B13R1.14 CCC(=O)NCc1ccc(cc1)O 527a_100000185549_100000210414 [0,1,0,0,0,1|1,0,0]=3 2708 B13R1.14 CCC(=O)NCc1ccc(cn1)O 240690a_100020605196_100000210414 [0,1,0,0,0,1|2,0,0]=4 2709 B13R1.14 CCC(=O)NCc1ccc(nc1)O 11a_100000757128_100000210414 [0,1,0,0,0,1|2,0,0]=4 2710 B13R1.14 CCC(=O)NCc1ccc(nc1)O 240690a_100000757128_100000210414 [0,1,0,0,0,1|2,0,0]=4 2711 B13R1.14 CCC(O)CNc1ccc(cc1)O 34a_100000185829_100011218378 [0,1,0,0,0,1|1,0,1]=4 2712 B13R1.14 CCC(O)CSc1ccc(cc1)O 62a_100011218378_100000185759 [0,1,0,0,0,1|1,0,1]=4 2713 B13R1.14 CNC(=O)C=Cc1ccc(cc1)O 240690a_100102657272_100016269017 [0,1,0,0,0,1|1,0,1]=4 2714 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 11a_106832991635_100000217147 [0,1,0,0,0,1|2,0,0]=4 2715 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 1626a_100102657272_100000217147 [0,1,0,0,0,1|2,0,0]=4 2716 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 240690a_100102657272_100000217147 [0,1,0,0,0,1|2,0,0]=4 2717 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 527a_100102657272_100000217147 [0,1,0,0,0,1|2,0,0]=4 2718 B13R1.14 CNC(=O)CCc1ccc(cc1)C 11a_106832991635_100000234883 [0,1,0,0,0,1|2,0,0]=4 2719 B13R1.14 CNC(=O)CCc1ccc(cc1)C 1626a_100102657272_100000234883 [0,1,0,0,0,1|2,0,0]=4 2720 B13R1.14 CNC(=O)CCc1ccc(cc1)C 240690a_100102657272_100000234883 [0,1,0,0,0,1|2,0,0]=4 2721 B13R1.14 CNC(=O)CCc1ccc(cc1)C 527a_100102657272_100000234883 [0,1,0,0,0,1|2,0,0]=4 2722 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 11a_106832991635_100000235379 [0,1,0,0,0,1|2,0,0]=4 2723 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 1626a_100102657272_100000235379 [0,1,0,0,0,1|2,0,0]=4 2724 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 240690a_100102657272_100000235379 [0,1,0,0,0,1|2,0,0]=4 2725 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 527a_100102657272_100000235379 [0,1,0,0,0,1|2,0,0]=4 2726 B13R1.14 CNC(=O)CCc1ccc(cc1)F 11a_106832991635_100000198493 [0,1,0,0,0,1|2,0,0]=4 2727 B13R1.14 CNC(=O)CCc1ccc(cc1)F 1626a_100102657272_100000198493 [0,1,0,0,0,1|2,0,0]=4 2728 B13R1.14 CNC(=O)CCc1ccc(cc1)F 240690a_100102657272_100000198493 [0,1,0,0,0,1|2,0,0]=4 2729 B13R1.14 CNC(=O)CCc1ccc(cc1)F 527a_100102657272_100000198493 [0,1,0,0,0,1|2,0,0]=4 2730 B13R1.14 CNC(=O)CCc1ccc(cc1)I 11a_106832991635_100011217499 [0,1,0,0,0,1|2,0,0]=4 2731 B13R1.14 CNC(=O)CCc1ccc(cc1)I 1626a_100102657272_100011217499 [0,1,0,0,0,1|2,0,0]=4 2732 B13R1.14 CNC(=O)CCc1ccc(cc1)I 240690a_100102657272_100011217499 [0,1,0,0,0,1|2,0,0]=4 2733 B13R1.14 CNC(=O)CCc1ccc(cc1)I 527a_100102657272_100011217499 [0,1,0,0,0,1|2,0,0]=4 2734 B13R1.14 CNC(=O)CCc1ccc(cc1)O 240690a_100102657272_100000742835 [0,1,0,0,0,1|1,0,0]=3 2735 B13R1.14 CNC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010273138 [0,1,0,0,0,1|1,0,0]=3 2736 B13R1.14 CNC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000183359 [0,1,0,0,0,1|2,0,0]=4 2737 B13R1.14 CNC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000183359 [0,1,0,0,0,1|2,0,0]=4 2738 B13R1.14 CNC(=O)CNc1ccc(cc1)C 34a_100000124888_100000183359 [0,1,0,0,0,1|2,0,0]=4 2739 B13R1.14 CNC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000183359 [0,1,0,0,0,1|2,0,0]=4 2740 B13R1.14 CNC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000183359 [0,1,0,0,0,1|2,0,0]=4 2741 B13R1.14 CNC(=O)CNc1ccc(cc1)F 34a_100000185862_100000183359 [0,1,0,0,0,1|2,0,0]=4 2742 B13R1.14 CNC(=O)CNc1ccc(cc1)I 34a_100000185761_100000183359 [0,1,0,0,0,1|2,0,0]=4 2743 B13R1.14 CNC(=O)CNc1ccc(cc1)O 34a_100000185829_100000183359 [0,1,0,0,0,1|1,0,0]=3 2744 B13R1.14 CNC(=O)COc1ccc(cc1)Br 11a_106832991635_100000182358 [0,1,0,0,0,1|2,0,0]=4 2745 B13R1.14 CNC(=O)COc1ccc(cc1)Br 1626a_100102657272_100000182358 [0,1,0,0,0,1|2,0,0]=4 2746 B13R1.14 CNC(=O)COc1ccc(cc1)Br 240690a_100102657272_100000182358 [0,1,0,0,0,1|2,0,0]=4 2747 B13R1.14 CNC(=O)COc1ccc(cc1)Br 34a_100000185759_100000183359 [0,1,0,0,0,1|2,0,0]=4 2748 B13R1.14 CNC(=O)COc1ccc(cc1)Br 527a_100102657272_100000182358 [0,1,0,0,0,1|2,0,0]=4 2749 B13R1.14 CNC(=O)COc1ccc(cc1)Br 7a_100000185759_100000183359 [0,1,0,0,0,1|2,0,0]=4 2750 B13R1.14 CNC(=O)COc1ccc(cc1)C 11a_106832991635_100000182360 [0,1,0,0,0,1|2,0,0]=4 2751 B13R1.14 CNC(=O)COc1ccc(cc1)C 1626a_100102657272_100000182360 [0,1,0,0,0,1|2,0,0]=4 2752 B13R1.14 CNC(=O)COc1ccc(cc1)C 240690a_100102657272_100000182360 [0,1,0,0,0,1|2,0,0]=4 2753 B13R1.14 CNC(=O)COc1ccc(cc1)C 34a_100000210336_100000183359 [0,1,0,0,0,1|2,0,0]=4 2754 B13R1.14 CNC(=O)COc1ccc(cc1)C 527a_100102657272_100000182360 [0,1,0,0,0,1|2,0,0]=4 2755 B13R1.14 CNC(=O)COc1ccc(cc1)C 7a_100000210336_100000183359 [0,1,0,0,0,1|2,0,0]=4 2756 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 11a_106832991635_100016990877 [0,1,0,0,0,1|2,0,0]=4 2757 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 1626a_100102657272_100016990877 [0,1,0,0,0,1|2,0,0]=4 2758 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 240690a_100102657272_100016990877 [0,1,0,0,0,1|2,0,0]=4 2759 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000183359 [0,1,0,0,0,1|2,0,0]=4 2760 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 527a_100102657272_100016990877 [0,1,0,0,0,1|2,0,0]=4 2761 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000183359 [0,1,0,0,0,1|2,0,0]=4 2762 B13R1.14 CNC(=O)COc1ccc(cc1)F 11a_106832991635_100000184765 [0,1,0,0,0,1|2,0,0]=4 2763 B13R1.14 CNC(=O)COc1ccc(cc1)F 1626a_100102657272_100000184765 [0,1,0,0,0,1|2,0,0]=4 2764 B13R1.14 CNC(=O)COc1ccc(cc1)F 240690a_100102657272_100000184765 [0,1,0,0,0,1|2,0,0]=4 2765 B13R1.14 CNC(=O)COc1ccc(cc1)F 34a_100000210339_100000183359 [0,1,0,0,0,1|2,0,0]=4 2766 B13R1.14 CNC(=O)COc1ccc(cc1)F 527a_100102657272_100000184765 [0,1,0,0,0,1|2,0,0]=4 2767 B13R1.14 CNC(=O)COc1ccc(cc1)I 11a_106832991635_100000184369 [0,1,0,0,0,1|2,0,0]=4 2768 B13R1.14 CNC(=O)COc1ccc(cc1)I 1626a_100102657272_100000184369 [0,1,0,0,0,1|2,0,0]=4 2769 B13R1.14 CNC(=O)COc1ccc(cc1)I 240690a_100102657272_100000184369 [0,1,0,0,0,1|2,0,0]=4 2770 B13R1.14 CNC(=O)COc1ccc(cc1)I 34a_100000212066_100000183359 [0,1,0,0,0,1|2,0,0]=4 2771 B13R1.14 CNC(=O)COc1ccc(cc1)I 527a_100102657272_100000184369 [0,1,0,0,0,1|2,0,0]=4 2772 B13R1.14 CNC(=O)COc1ccc(cc1)I 7a_100000212066_100000183359 [0,1,0,0,0,1|2,0,0]=4 2773 B13R1.14 CNC(=O)COc1ccc(cc1)N 34a_100000185829_100000183359 [0,1,0,0,0,1|2,0,0]=4 2774 B13R1.14 CNC(=O)COc1ccc(cc1)O 240690a_100102657272_100000031633 [0,1,0,0,0,1|1,0,0]=3 2775 B13R1.14 CNC(=O)COc1ccc(cc1)O 271570a_203496583355_200000150405 [0,1,0,0,0,1|1,0,0]=3 2776 B13R1.14 CNC(=O)COc1ccc(cc1)O 527a_100102657272_100000031633 [0,1,0,0,0,1|1,0,0]=3 2777 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 11a_106832991635_100000179496 [0,1,0,0,0,1|2,0,0]=4 2778 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 1626a_100102657272_100000179496 [0,1,0,0,0,1|2,0,0]=4 2779 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 240690a_100102657272_100000179496 [0,1,0,0,0,1|2,0,0]=4 2780 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 527a_100102657272_100000179496 [0,1,0,0,0,1|2,0,0]=4 2781 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 62a_100000183359_100000752885 [0,1,0,0,0,1|2,0,0]=4 2782 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000183359 [0,1,0,0,0,1|2,0,0]=4 2783 B13R1.14 CNC(=O)CSc1ccc(cc1)C 11a_106832991635_100000179497 [0,1,0,0,0,1|2,0,0]=4 2784 B13R1.14 CNC(=O)CSc1ccc(cc1)C 1626a_100102657272_100000179497 [0,1,0,0,0,1|2,0,0]=4 2785 B13R1.14 CNC(=O)CSc1ccc(cc1)C 240690a_100102657272_100000179497 [0,1,0,0,0,1|2,0,0]=4 2786 B13R1.14 CNC(=O)CSc1ccc(cc1)C 527a_100102657272_100000179497 [0,1,0,0,0,1|2,0,0]=4 2787 B13R1.14 CNC(=O)CSc1ccc(cc1)C 62a_100000183359_100000186775 [0,1,0,0,0,1|2,0,0]=4 2788 B13R1.14 CNC(=O)CSc1ccc(cc1)C 62a_100000186775_100000183359 [0,1,0,0,0,1|2,0,0]=4 2789 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 11a_106832991635_100000178402 [0,1,0,0,0,1|2,0,0]=4 2790 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 1626a_100102657272_100000178402 [0,1,0,0,0,1|2,0,0]=4 2791 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 240690a_100102657272_100000178402 [0,1,0,0,0,1|2,0,0]=4 2792 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 527a_100102657272_100000178402 [0,1,0,0,0,1|2,0,0]=4 2793 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 62a_100000183359_100000755918 [0,1,0,0,0,1|2,0,0]=4 2794 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000183359 [0,1,0,0,0,1|2,0,0]=4 2795 B13R1.14 CNC(=O)CSc1ccc(cc1)F 11a_106832991635_100000691584 [0,1,0,0,0,1|2,0,0]=4 2796 B13R1.14 CNC(=O)CSc1ccc(cc1)F 1626a_100102657272_100000691584 [0,1,0,0,0,1|2,0,0]=4 2797 B13R1.14 CNC(=O)CSc1ccc(cc1)F 240690a_100102657272_100000691584 [0,1,0,0,0,1|2,0,0]=4 2798 B13R1.14 CNC(=O)CSc1ccc(cc1)F 527a_100102657272_100000691584 [0,1,0,0,0,1|2,0,0]=4 2799 B13R1.14 CNC(=O)CSc1ccc(cc1)F 62a_100000183359_100000211213 [0,1,0,0,0,1|2,0,0]=4 2800 B13R1.14 CNC(=O)CSc1ccc(cc1)F 62a_100000211213_100000183359 [0,1,0,0,0,1|2,0,0]=4 2801 B13R1.14 CNC(=O)CSc1ccc(cc1)N 62a_100000183359_100000185761 [0,1,0,0,0,1|2,0,0]=4 2802 B13R1.14 CNC(=O)CSc1ccc(cc1)N 62a_100000185761_100000183359 [0,1,0,0,0,1|2,0,0]=4 2803 B13R1.14 CNC(=O)CSc1ccc(cc1)O 62a_100000183359_100000185759 [0,1,0,0,0,1|1,0,0]=3 2804 B13R1.14 CNC(=O)CSc1ccc(cn1)O 62a_100000183359_100000744096 [0,1,0,0,0,1|2,0,0]=4 2805 B13R1.14 CNC(=O)CSc1ccc(cn1)O 62a_100000685995_100000183359 [0,1,0,0,0,1|2,0,0]=4 2806 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 2708a_100000174875_106832991635 [0,1,0,0,0,1|2,0,0]=4 2807 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 2708a_100102657272_100000174875 [0,1,0,0,0,1|2,0,0]=4 2808 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 273464a_100000174875_100102657272 [0,1,0,0,0,1|2,0,0]=4 2809 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 273464a_100102657272_100000174875 [0,1,0,0,0,1|2,0,0]=4 2810 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 512a_100000174875_100102657272 [0,1,0,0,0,1|2,0,0]=4 2811 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 512a_106832991638_100000174875 [0,1,0,0,0,1|2,0,0]=4 2812 B13R1.14 CNC(=O)NCc1ccc(cc1)C 2708a_100000174908_106832991635 [0,1,0,0,0,1|2,0,0]=4 2813 B13R1.14 CNC(=O)NCc1ccc(cc1)C 2708a_100102657272_100000174908 [0,1,0,0,0,1|2,0,0]=4 2814 B13R1.14 CNC(=O)NCc1ccc(cc1)C 273464a_100000174908_100102657272 [0,1,0,0,0,1|2,0,0]=4 2815 B13R1.14 CNC(=O)NCc1ccc(cc1)C 273464a_100102657272_100000174908 [0,1,0,0,0,1|2,0,0]=4 2816 B13R1.14 CNC(=O)NCc1ccc(cc1)C 512a_100000174908_100102657272 [0,1,0,0,0,1|2,0,0]=4 2817 B13R1.14 CNC(=O)NCc1ccc(cc1)C 512a_106832991638_100000174908 [0,1,0,0,0,1|2,0,0]=4 2818 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 2708a_100000174871_106832991635 [0,1,0,0,0,1|2,0,0]=4 2819 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 2708a_100102657272_100000174871 [0,1,0,0,0,1|2,0,0]=4 2820 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 273464a_100000174871_100102657272 [0,1,0,0,0,1|2,0,0]=4 2821 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 273464a_100102657272_100000174871 [0,1,0,0,0,1|2,0,0]=4 2822 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 512a_106832991638_100000174871 [0,1,0,0,0,1|2,0,0]=4 2823 B13R1.14 CNC(=O)NCc1ccc(cc1)F 2708a_100000174882_106832991635 [0,1,0,0,0,1|2,0,0]=4 2824 B13R1.14 CNC(=O)NCc1ccc(cc1)F 2708a_100102657272_100000174882 [0,1,0,0,0,1|2,0,0]=4 2825 B13R1.14 CNC(=O)NCc1ccc(cc1)F 273464a_100000174882_100102657272 [0,1,0,0,0,1|2,0,0]=4 2826 B13R1.14 CNC(=O)NCc1ccc(cc1)F 273464a_100102657272_100000174882 [0,1,0,0,0,1|2,0,0]=4 2827 B13R1.14 CNC(=O)NCc1ccc(cc1)F 512a_100000174882_100102657272 [0,1,0,0,0,1|2,0,0]=4 2828 B13R1.14 CNC(=O)NCc1ccc(cc1)F 512a_106832991638_100000174882 [0,1,0,0,0,1|2,0,0]=4 2829 B13R1.14 CNC(=O)NCc1ccc(cc1)I 2708a_100016989417_106832991635 [0,1,0,0,0,1|2,0,0]=4 2830 B13R1.14 CNC(=O)NCc1ccc(cc1)I 2708a_100102657272_100016989417 [0,1,0,0,0,1|2,0,0]=4 2831 B13R1.14 CNC(=O)NCc1ccc(cc1)I 273464a_100016989417_100102657272 [0,1,0,0,0,1|2,0,0]=4 2832 B13R1.14 CNC(=O)NCc1ccc(cc1)I 273464a_100102657272_100016989417 [0,1,0,0,0,1|2,0,0]=4 2833 B13R1.14 CNC(=O)NCc1ccc(cc1)I 512a_100016989417_100102657272 [0,1,0,0,0,1|2,0,0]=4 2834 B13R1.14 CNC(=O)NCc1ccc(cc1)I 512a_106832991638_100016989417 [0,1,0,0,0,1|2,0,0]=4 2835 B13R1.14 CNC(=O)NCc1ccc(cc1)O 2708a_100000185549_106832991635 [0,1,0,0,0,1|1,0,0]=3 2836 B13R1.14 CNC(=O)NCc1ccc(cc1)O 2708a_100102657272_100000185549 [0,1,0,0,0,1|1,0,0]=3 2837 B13R1.14 CNC(=O)NCc1ccc(cc1)O 273464a_100000185549_100102657272 [0,1,0,0,0,1|1,0,0]=3 2838 B13R1.14 CNC(=O)NCc1ccc(cc1)O 273464a_100102657272_100000185549 [0,1,0,0,0,1|1,0,0]=3 2839 B13R1.14 CNC(=O)NCc1ccc(cc1)O 512a_106832991638_100000185549 [0,1,0,0,0,1|1,0,0]=3 2840 B13R1.14 CNC(=O)NCc1ccc(cn1)O 2708a_100020605196_106832991635 [0,1,0,0,0,1|2,0,0]=4 2841 B13R1.14 CNC(=O)NCc1ccc(cn1)O 2708a_100102657272_100020605196 [0,1,0,0,0,1|2,0,0]=4 2842 B13R1.14 CNC(=O)NCc1ccc(cn1)O 273464a_100020605196_100102657272 [0,1,0,0,0,1|2,0,0]=4 2843 B13R1.14 CNC(=O)NCc1ccc(cn1)O 273464a_100102657272_100020605196 [0,1,0,0,0,1|2,0,0]=4 2844 B13R1.14 CNC(=O)NCc1ccc(cn1)O 512a_106832991638_100020605196 [0,1,0,0,0,1|2,0,0]=4 2845 B13R1.14 CNC(=O)NCc1ccc(nc1)O 2708a_100000757128_106832991635 [0,1,0,0,0,1|2,0,0]=4 2846 B13R1.14 CNC(=O)NCc1ccc(nc1)O 2708a_100102657272_100000757128 [0,1,0,0,0,1|2,0,0]=4 2847 B13R1.14 CNC(=O)NCc1ccc(nc1)O 273464a_100000757128_100102657272 [0,1,0,0,0,1|2,0,0]=4 2848 B13R1.14 CNC(=O)NCc1ccc(nc1)O 273464a_100102657272_100000757128 [0,1,0,0,0,1|2,0,0]=4 2849 B13R1.14 CNC(=O)NCc1ccc(nc1)O 512a_106832991638_100000757128 [0,1,0,0,0,1|2,0,0]=4 2850 B13R1.14 COC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_100000148628 [0,1,0,0,0,1|0,0,1]=3 2851 B13R1.14 COC(=O)C#Cc1ccc(cc1)O 271570a_203496583355_100012100070 [0,1,0,0,0,1|0,0,1]=3 2852 B13R1.14 COC(=O)CCc1ccc(cc1)O 271570a_203496583355_100012357364 [0,1,0,0,0,1|0,0,0]=2 2853 B13R1.14 COC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747449 [0,1,0,0,0,1|1,0,0]=3 2854 B13R1.14 COC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000747449 [0,1,0,0,0,1|1,0,0]=3 2855 B13R1.14 COC(=O)CNc1ccc(cc1)C 34a_100000124888_100000747449 [0,1,0,0,0,1|1,0,0]=3 2856 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747449 [0,1,0,0,0,1|1,0,0]=3 2857 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000747449 [0,1,0,0,0,1|1,0,0]=3 2858 B13R1.14 COC(=O)CNc1ccc(cc1)F 34a_100000185862_100000747449 [0,1,0,0,0,1|1,0,0]=3 2859 B13R1.14 COC(=O)CNc1ccc(cc1)I 34a_100000185761_100000747449 [0,1,0,0,0,1|1,0,0]=3 2860 B13R1.14 COC(=O)CNc1ccc(cc1)O 34a_100000185829_100000747449 [0,1,0,0,0,1|0,0,0]=2 2861 B13R1.14 COC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000747449 [0,1,0,0,0,1|1,0,1]=4 2862 B13R1.14 COC(=O)COc1ccc(cc1)Br 34a_100000185759_100000747449 [0,1,0,0,0,1|1,0,0]=3 2863 B13R1.14 COC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747449 [0,1,0,0,0,1|1,0,0]=3 2864 B13R1.14 COC(=O)COc1ccc(cc1)C 34a_100000210336_100000747449 [0,1,0,0,0,1|1,0,0]=3 2865 B13R1.14 COC(=O)COc1ccc(cc1)C 7a_100000210336_100000747449 [0,1,0,0,0,1|1,0,0]=3 2866 B13R1.14 COC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000747449 [0,1,0,0,0,1|1,0,0]=3 2867 B13R1.14 COC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747449 [0,1,0,0,0,1|1,0,0]=3 2868 B13R1.14 COC(=O)COc1ccc(cc1)F 34a_100000210339_100000747449 [0,1,0,0,0,1|1,0,0]=3 2869 B13R1.14 COC(=O)COc1ccc(cc1)I 34a_100000212066_100000747449 [0,1,0,0,0,1|1,0,0]=3 2870 B13R1.14 COC(=O)COc1ccc(cc1)I 7a_100000212066_100000747449 [0,1,0,0,0,1|1,0,0]=3 2871 B13R1.14 COC(=O)COc1ccc(cc1)N 34a_100000185829_100000747449 [0,1,0,0,0,1|1,0,0]=3 2872 B13R1.14 COC(=O)COc1ccc(cc1)O 271570a_203496583355_100000149925 [0,1,0,0,0,1|0,0,0]=2 2873 B13R1.14 COC(=O)COc1ccc(cn1)C 34a_100000759353_100000747449 [0,1,0,0,0,1|2,0,0]=4 2874 B13R1.14 COC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000747449 [0,1,0,0,0,1|2,0,0]=4 2875 B13R1.14 COC(=O)COc1ccc(cn1)F 34a_100000742473_100000747449 [0,1,0,0,0,1|2,0,0]=4 2876 B13R1.14 COC(=O)COc1ccc(cn1)N 34a_100000729260_100000747449 [0,1,0,0,0,1|2,0,0]=4 2877 B13R1.14 COC(=O)COc1ccc(nc1)Br 34a_100000685995_100000747449 [0,1,0,0,0,1|2,0,0]=4 2878 B13R1.14 COC(=O)COc1ccc(nc1)Br 7a_100000685995_100000747449 [0,1,0,0,0,1|2,0,0]=4 2879 B13R1.14 COC(=O)COc1ccc(nc1)C 34a_100000745506_100000747449 [0,1,0,0,0,1|2,0,0]=4 2880 B13R1.14 COC(=O)COc1ccc(nc1)C 7a_100000745506_100000747449 [0,1,0,0,0,1|2,0,0]=4 2881 B13R1.14 COC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000747449 [0,1,0,0,0,1|2,0,0]=4 2882 B13R1.14 COC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000747449 [0,1,0,0,0,1|2,0,0]=4 2883 B13R1.14 COC(=O)COc1ccc(nc1)F 34a_100000688820_100000747449 [0,1,0,0,0,1|2,0,0]=4 2884 B13R1.14 COC(=O)COc1ccc(nc1)F 7a_100000688820_100000747449 [0,1,0,0,0,1|2,0,0]=4 2885 B13R1.14 COC(=O)COc1ccc(nc1)I 34a_100000687607_100000747449 [0,1,0,0,0,1|2,0,0]=4 2886 B13R1.14 COC(=O)COc1ccc(nc1)I 7a_100000687607_100000747449 [0,1,0,0,0,1|2,0,0]=4 2887 B13R1.14 COC(=O)COc1ccc(nc1)N 34a_100015188713_100000747449 [0,1,0,0,0,1|2,0,0]=4 2888 B13R1.14 COC(=O)COc1ccc(nc1)N 7a_100015188713_100000747449 [0,1,0,0,0,1|2,0,0]=4 2889 B13R1.14 COC(=O)COc1ccc(nc1)O 271570a_203496583355_100010870986 [0,1,0,0,0,1|1,0,0]=3 2890 B13R1.14 COC(=O)CSc1cc[n+](cc1)[O-] 62a_100000747449_100000039755 [0,1,0,0,0,1|1,0,1]=4 2891 B13R1.14 COC(=O)CSc1ccc(=O)[nH]c1 62a_100000212171_100000747449 [0,1,0,0,0,1|1,0,1]=4 2892 B13R1.14 COC(=O)CSc1ccc(=O)[nH]c1 62a_100000747449_100000212171 [0,1,0,0,0,1|1,0,1]=4 2893 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000747449_100000752885 [0,1,0,0,0,1|1,0,0]=3 2894 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747449 [0,1,0,0,0,1|1,0,0]=3 2895 B13R1.14 COC(=O)CSc1ccc(cc1)C 62a_100000186775_100000747449 [0,1,0,0,0,1|1,0,0]=3 2896 B13R1.14 COC(=O)CSc1ccc(cc1)C 62a_100000747449_100000186775 [0,1,0,0,0,1|1,0,0]=3 2897 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000747449_100000755918 [0,1,0,0,0,1|1,0,0]=3 2898 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747449 [0,1,0,0,0,1|1,0,0]=3 2899 B13R1.14 COC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747449 [0,1,0,0,0,1|1,0,0]=3 2900 B13R1.14 COC(=O)CSc1ccc(cc1)F 62a_100000747449_100000211213 [0,1,0,0,0,1|1,0,0]=3 2901 B13R1.14 COC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747449 [0,1,0,0,0,1|1,0,0]=3 2902 B13R1.14 COC(=O)CSc1ccc(cc1)N 62a_100000747449_100000185761 [0,1,0,0,0,1|1,0,0]=3 2903 B13R1.14 COC(=O)CSc1ccc(cc1)O 62a_100000747449_100000185759 [0,1,0,0,0,1|0,0,0]=2 2904 B13R1.14 COC(=O)CSc1ccc(cn1)Br 62a_100000686858_100000747449 [0,1,0,0,0,1|2,0,0]=4 2905 B13R1.14 COC(=O)CSc1ccc(cn1)Br 62a_100000747449_100000686858 [0,1,0,0,0,1|2,0,0]=4 2906 B13R1.14 COC(=O)CSc1ccc(cn1)C 62a_100000747449_100000754016 [0,1,0,0,0,1|2,0,0]=4 2907 B13R1.14 COC(=O)CSc1ccc(cn1)C 62a_100011192072_100000747449 [0,1,0,0,0,1|2,0,0]=4 2908 B13R1.14 COC(=O)CSc1ccc(cn1)Cl 62a_100000747449_100011356976 [0,1,0,0,0,1|2,0,0]=4 2909 B13R1.14 COC(=O)CSc1ccc(cn1)Cl 62a_100011356976_100000747449 [0,1,0,0,0,1|2,0,0]=4 2910 B13R1.14 COC(=O)CSc1ccc(cn1)F 62a_100000744514_100000747449 [0,1,0,0,0,1|2,0,0]=4 2911 B13R1.14 COC(=O)CSc1ccc(cn1)F 62a_100000747449_100000744514 [0,1,0,0,0,1|2,0,0]=4 2912 B13R1.14 COC(=O)CSc1ccc(cn1)N 62a_100000737798_100000747449 [0,1,0,0,0,1|2,0,0]=4 2913 B13R1.14 COC(=O)CSc1ccc(cn1)N 62a_100000747449_100000737798 [0,1,0,0,0,1|2,0,0]=4 2914 B13R1.14 COC(=O)CSc1ccc(cn1)O 62a_100000685995_100000747449 [0,1,0,0,0,1|1,0,0]=3 2915 B13R1.14 COC(=O)CSc1ccc(cn1)O 62a_100000747449_100000744096 [0,1,0,0,0,1|1,0,0]=3 2916 B13R1.14 COC(=O)CSc1ccc(nc1)Br 62a_100000747449_100009814638 [0,1,0,0,0,1|2,0,0]=4 2917 B13R1.14 COC(=O)CSc1ccc(nc1)Br 62a_100009814638_100000747449 [0,1,0,0,0,1|2,0,0]=4 2918 B13R1.14 COC(=O)CSc1ccc(nc1)C 62a_100000747449_100000751577 [0,1,0,0,0,1|2,0,0]=4 2919 B13R1.14 COC(=O)CSc1ccc(nc1)C 62a_100000751577_100000747449 [0,1,0,0,0,1|2,0,0]=4 2920 B13R1.14 COC(=O)CSc1ccc(nc1)Cl 62a_100000034144_100000747449 [0,1,0,0,0,1|2,0,0]=4 2921 B13R1.14 COC(=O)CSc1ccc(nc1)Cl 62a_100000747449_100000034144 [0,1,0,0,0,1|2,0,0]=4 2922 B13R1.14 COC(=O)CSc1ccc(nc1)F 62a_100000042367_100000747449 [0,1,0,0,0,1|2,0,0]=4 2923 B13R1.14 COC(=O)CSc1ccc(nc1)F 62a_100000747449_100000042367 [0,1,0,0,0,1|2,0,0]=4 2924 B13R1.14 COC(=O)CSc1ccc(nc1)N 62a_100000187370_100000747449 [0,1,0,0,0,1|2,0,0]=4 2925 B13R1.14 COC(=O)CSc1ccc(nc1)N 62a_100000747449_100000187370 [0,1,0,0,0,1|2,0,0]=4 2926 B13R1.14 COC(=O)CSc1cnc(cn1)O 62a_100000747449_100015839800 [0,1,0,0,0,1|2,0,0]=4 2927 B13R1.14 COC(=O)CSc1cnc(cn1)O 62a_100011934580_100000747449 [0,1,0,0,0,1|2,0,0]=4 2928 B13R1.14 COC(=O)CSc1ncc(cn1)O 62a_100000730009_100000747449 [0,1,0,0,0,1|2,0,0]=4 2929 B13R1.14 COC(=O)CSc1ncc(cn1)O 62a_100000747449_100000092845 [0,1,0,0,0,1|2,0,0]=4 2930 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)O 34a_100000185829_100000059175 [0,1,0,0,0,1|1,0,1]=4 2931 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)O 62a_100000059175_100000185759 [0,1,0,0,0,1|1,0,1]=4 2932 B13R1.14 Cc1ccc(cc1)CCC(=O)CF 1458a_100000234883_100015361967 [0,1,0,0,0,1|2,0,0]=4 2933 B13R1.14 Cc1ccc(cc1)CCC(=O)CO 1458a_100000210174_100011713686 [0,1,0,0,0,1|1,0,0]=3 2934 B13R1.14 Cc1ccc(cc1)CNC(=O)CO 240690a_100000174908_100000210174 [0,1,0,0,0,1|1,0,0]=3 2935 B13R1.14 Cc1ccc(cc1)CNC(=O)CO 527a_100000174908_100000210174 [0,1,0,0,0,1|1,0,0]=3 2936 B13R1.14 Cc1ccc(cc1)NNC(=O)CO 22a_100000683527_100000210174 [0,1,0,0,0,1|2,0,0]=4 2937 B13R1.14 Cc1ccc(cc1)OCC(=O)CF 1458a_100000182360_100015361967 [0,1,0,0,0,1|2,0,0]=4 2938 B13R1.14 Cc1ccc(cc1)SCC(=O)CF 1458a_100000179497_100015361967 [0,1,0,0,0,1|2,0,0]=4 2939 B13R1.14 Cc1ccc(cn1)CNC(=O)CO 240690a_100000740942_100000210174 [0,1,0,0,0,1|2,0,0]=4 2940 B13R1.14 Cc1ccc(cn1)CNC(=O)CO 527a_100000740942_100000210174 [0,1,0,0,0,1|2,0,0]=4 2941 B13R1.14 Cc1ccc(nc1)CNC(=O)CO 240690a_100015187455_100000210174 [0,1,0,0,0,1|2,0,0]=4 2942 B13R1.14 Cc1ccc(nc1)CNC(=O)CO 527a_100015187455_100000210174 [0,1,0,0,0,1|2,0,0]=4 2943 B13R1.14 NNC(=O)COc1ccc(cc1)O 271570a_203496583355_100000182278 [0,1,0,0,0,1|1,0,0]=3 2944 B13R1.14 O=C(CF)CCc1ccc(cc1)Br 1458a_100000217147_100015361967 [0,1,0,0,0,1|2,0,0]=4 2945 B13R1.14 O=C(CF)CCc1ccc(cc1)Cl 1458a_100000235379_100015361967 [0,1,0,0,0,1|2,0,0]=4 2946 B13R1.14 O=C(CF)CCc1ccc(cc1)F 1458a_100000198493_100015361967 [0,1,0,0,0,1|2,0,0]=4 2947 B13R1.14 O=C(CF)CCc1ccc(cc1)I 1458a_100011217499_100015361967 [0,1,0,0,0,1|2,0,0]=4 2948 B13R1.14 O=C(CF)CCc1ccc(cc1)O 1458a_100000742835_100015361967 [0,1,0,0,0,1|1,0,0]=3 2949 B13R1.14 O=C(CF)COc1ccc(cc1)Br 1458a_100000182358_100015361967 [0,1,0,0,0,1|2,0,0]=4 2950 B13R1.14 O=C(CF)COc1ccc(cc1)Cl 1458a_100016990877_100015361967 [0,1,0,0,0,1|2,0,0]=4 2951 B13R1.14 O=C(CF)COc1ccc(cc1)F 1458a_100000184765_100015361967 [0,1,0,0,0,1|2,0,0]=4 2952 B13R1.14 O=C(CF)COc1ccc(cc1)I 1458a_100000184369_100015361967 [0,1,0,0,0,1|2,0,0]=4 2953 B13R1.14 O=C(CF)COc1ccc(cc1)O 1458a_100000031633_100015361967 [0,1,0,0,0,1|1,0,0]=3 2954 B13R1.14 O=C(CF)CSc1ccc(cc1)Br 1458a_100000179496_100015361967 [0,1,0,0,0,1|2,0,0]=4 2955 B13R1.14 O=C(CF)CSc1ccc(cc1)Cl 1458a_100000178402_100015361967 [0,1,0,0,0,1|2,0,0]=4 2956 B13R1.14 O=C(CF)CSc1ccc(cc1)F 1458a_100000691584_100015361967 [0,1,0,0,0,1|2,0,0]=4 2957 B13R1.14 O=C(CO)CCc1ccc(cc1)Br 1458a_100000210174_100011740612 [0,1,0,0,0,1|1,0,0]=3 2958 B13R1.14 O=C(CO)CCc1ccc(cc1)Cl 1458a_100000210174_100011713675 [0,1,0,0,0,1|1,0,0]=3 2959 B13R1.14 O=C(CO)CCc1ccc(cc1)F 1458a_100000210174_100011217392 [0,1,0,0,0,1|1,0,0]=3 2960 B13R1.14 O=C(CO)CCc1ccc(cc1)O 1458a_100000210174_100009816426 [0,1,0,0,0,1|0,0,0]=2 2961 B13R1.14 O=C(CO)NCc1ccc(cc1)Br 240690a_100000174875_100000210174 [0,1,0,0,0,1|1,0,0]=3 2962 B13R1.14 O=C(CO)NCc1ccc(cc1)Br 527a_100000174875_100000210174 [0,1,0,0,0,1|1,0,0]=3 2963 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 240690a_100000174871_100000210174 [0,1,0,0,0,1|1,0,0]=3 2964 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 527a_100000174871_100000210174 [0,1,0,0,0,1|1,0,0]=3 2965 B13R1.14 O=C(CO)NCc1ccc(cc1)F 240690a_100000174882_100000210174 [0,1,0,0,0,1|1,0,0]=3 2966 B13R1.14 O=C(CO)NCc1ccc(cc1)F 527a_100000174882_100000210174 [0,1,0,0,0,1|1,0,0]=3 2967 B13R1.14 O=C(CO)NCc1ccc(cc1)I 240690a_100016989417_100000210174 [0,1,0,0,0,1|1,0,0]=3 2968 B13R1.14 O=C(CO)NCc1ccc(cc1)I 527a_100016989417_100000210174 [0,1,0,0,0,1|1,0,0]=3 2969 B13R1.14 O=C(CO)NCc1ccc(cc1)O 240690a_100000185549_100000210174 [0,1,0,0,0,1|0,0,0]=2 2970 B13R1.14 O=C(CO)NCc1ccc(cc1)O 527a_100000185549_100000210174 [0,1,0,0,0,1|0,0,0]=2 2971 B13R1.14 O=C(CO)NCc1ccc(cn1)Br 240690a_100015188789_100000210174 [0,1,0,0,0,1|2,0,0]=4 2972 B13R1.14 O=C(CO)NCc1ccc(cn1)Br 527a_100015188789_100000210174 [0,1,0,0,0,1|2,0,0]=4 2973 B13R1.14 O=C(CO)NCc1ccc(cn1)Cl 240690a_100000697193_100000210174 [0,1,0,0,0,1|2,0,0]=4 2974 B13R1.14 O=C(CO)NCc1ccc(cn1)Cl 527a_100000697193_100000210174 [0,1,0,0,0,1|2,0,0]=4 2975 B13R1.14 O=C(CO)NCc1ccc(cn1)F 240690a_100020620131_100000210174 [0,1,0,0,0,1|2,0,0]=4 2976 B13R1.14 O=C(CO)NCc1ccc(cn1)F 527a_100020620131_100000210174 [0,1,0,0,0,1|2,0,0]=4 2977 B13R1.14 O=C(CO)NCc1ccc(cn1)O 240690a_100020605196_100000210174 [0,1,0,0,0,1|1,0,0]=3 2978 B13R1.14 O=C(CO)NCc1ccc(nc1)Br 240690a_100009817727_100000210174 [0,1,0,0,0,1|2,0,0]=4 2979 B13R1.14 O=C(CO)NCc1ccc(nc1)Br 527a_100009817727_100000210174 [0,1,0,0,0,1|2,0,0]=4 2980 B13R1.14 O=C(CO)NCc1ccc(nc1)Cl 240690a_100000735879_100000210174 [0,1,0,0,0,1|2,0,0]=4 2981 B13R1.14 O=C(CO)NCc1ccc(nc1)Cl 527a_100000735879_100000210174 [0,1,0,0,0,1|2,0,0]=4 2982 B13R1.14 O=C(CO)NCc1ccc(nc1)F 240690a_100000101913_100000210174 [0,1,0,0,0,1|2,0,0]=4 2983 B13R1.14 O=C(CO)NCc1ccc(nc1)F 527a_100000101913_100000210174 [0,1,0,0,0,1|2,0,0]=4 2984 B13R1.14 O=C(CO)NCc1ccc(nc1)O 240690a_100000757128_100000210174 [0,1,0,0,0,1|1,0,0]=3 2985 B13R1.14 O=C(CO)NNc1ccc(cc1)Br 22a_100000735608_100000210174 [0,1,0,0,0,1|2,0,0]=4 2986 B13R1.14 O=C(CO)NNc1ccc(cc1)Cl 22a_100000683521_100000210174 [0,1,0,0,0,1|2,0,0]=4 2987 B13R1.14 O=C(CO)NNc1ccc(cc1)F 22a_100000728448_100000210174 [0,1,0,0,0,1|2,0,0]=4 2988 B13R1.14 O=C(CO)NNc1ccc(cc1)I 22a_100016988836_100000210174 [0,1,0,0,0,1|2,0,0]=4 2989 B13R1.14 OCC(O)CNc1ccc(cc1)O 34a_100000185829_100011219619 [0,1,0,0,0,1|0,0,2]=4 2990 B13R1.14 OCC(O)CSc1ccc(cc1)O 62a_100011219619_100000185759 [0,1,0,0,0,1|0,0,2]=4 2991 B13R1.14 OC[C@H](O)CNc1ccc(cc1)O 34a_100000185829_100009815848 [0,1,0,0,0,1|0,0,2]=4 2992 B13R1.14 OC[C@H](O)CSc1ccc(cc1)O 62a_100009815848_100000185759 [0,1,0,0,0,1|0,0,2]=4 2993 B13R1.14 Oc1ccc(cc1)NC[C@@H](O)CF 34a_100000185829_100015614560 [0,1,0,0,0,1|1,0,1]=4 2994 B13R1.14 Oc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000185759 [0,1,0,0,0,1|1,0,1]=4 2995 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000748629 [0,1,0,0,0,1|2,0,0]=4 2996 B13R1.132 C=C(C)CN(C)c1ccc(cc1)O 269982a_100000182112_100000748629 [0,1,0,0,0,1|2,0,0]=4 2997 B13R1.132 C=C(C)CN(C)c1ccc(cc1)O 34a_100000182112_100000748629 [0,1,0,0,0,1|2,0,0]=4 2998 B13R1.132 C=C(F)CC(=O)c1ccc(cc1)O 1458a_100000212099_100009893438 [0,1,0,0,0,1|2,0,0]=4 2999 B13R1.132 C=C(F)CN(C)c1ccc(cc1)O 269982a_100000182112_100009893438 [0,1,0,0,0,1|2,0,0]=4 3000 B13R1.132 C=C(F)CN(C)c1ccc(cc1)O 34a_100000182112_100009893438 [0,1,0,0,0,1|2,0,0]=4 3001 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000070787_100000188085 [0,1,0,0,0,1|2,0,0]=4 3002 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)C 1458a_100000070787_100000211441 [0,1,0,0,0,1|2,0,0]=4 3003 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000070787_100000211071 [0,1,0,0,0,1|2,0,0]=4 3004 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)F 1458a_100000070787_100000211279 [0,1,0,0,0,1|2,0,0]=4 3005 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)I 1458a_100000070787_100011216261 [0,1,0,0,0,1|2,0,0]=4 3006 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000070787_100009814261 [0,1,0,0,0,1|1,0,0]=3 3007 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100000184285 [0,1,0,0,0,1|1,0,0]=3 3008 B13R1.132 CC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_200000210301 [0,1,0,0,0,1|2,0,0]=4 3009 B13R1.132 CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000070787_200011996143 [0,1,0,0,0,1|2,0,0]=4 3010 B13R1.132 CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000070787_100000720402 [0,1,0,0,0,1|2,0,0]=4 3011 B13R1.132 CC(=O)NC(C)c1ccc(cc1)O 271570a_203496583355_100000153805 [0,1,0,0,0,1|1,0,0]=3 3012 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 11a_100025705893_100015343762 [0,1,0,0,0,1|2,0,0]=4 3013 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 1626a_100025705893_100015343762 [0,1,0,0,0,1|2,0,0]=4 3014 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 240690a_100025705893_100015343762 [0,1,0,0,0,1|2,0,0]=4 3015 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 527a_100025705893_100103153847 [0,1,0,0,0,1|2,0,0]=4 3016 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 11a_100000753911_100015343762 [0,1,0,0,0,1|2,0,0]=4 3017 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 1626a_100000753911_100015343762 [0,1,0,0,0,1|2,0,0]=4 3018 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 240690a_100000753911_100015343762 [0,1,0,0,0,1|2,0,0]=4 3019 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 527a_100000753911_100103153847 [0,1,0,0,0,1|2,0,0]=4 3020 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)O 240690a_100161106496_100015343762 [0,1,0,0,0,1|1,0,0]=3 3021 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 11a_100000720352_100015343762 [0,1,0,0,0,1|2,0,0]=4 3022 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 1626a_100000720352_100015343762 [0,1,0,0,0,1|2,0,0]=4 3023 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 240690a_100000720352_100015343762 [0,1,0,0,0,1|2,0,0]=4 3024 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 527a_100000720352_100103153847 [0,1,0,0,0,1|2,0,0]=4 3025 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 11a_100016988085_100015343762 [0,1,0,0,0,1|2,0,0]=4 3026 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 1626a_100016988085_100015343762 [0,1,0,0,0,1|2,0,0]=4 3027 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 240690a_100016988085_100015343762 [0,1,0,0,0,1|2,0,0]=4 3028 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 527a_100016988085_100103153847 [0,1,0,0,0,1|2,0,0]=4 3029 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 11a_100015205461_100015343762 [0,1,0,0,0,1|2,0,0]=4 3030 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 1626a_100015205461_100015343762 [0,1,0,0,0,1|2,0,0]=4 3031 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 240690a_100015205461_100015343762 [0,1,0,0,0,1|2,0,0]=4 3032 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 527a_100015205461_100103153847 [0,1,0,0,0,1|2,0,0]=4 3033 B13R1.132 CC(O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100011218427 [0,1,0,0,0,1|1,0,1]=4 3034 B13R1.132 CC(O)CN(C)c1ccc(cc1)O 269982a_100000182112_100011218427 [0,1,0,0,0,1|1,0,1]=4 3035 B13R1.132 CC(O)CN(C)c1ccc(cc1)O 34a_100000182112_100011218427 [0,1,0,0,0,1|1,0,1]=4 3036 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 2230a_100000219623_100000747473 [0,1,0,0,0,1|2,0,0]=4 3037 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 269982a_100000219623_100000187820 [0,1,0,0,0,1|2,0,0]=4 3038 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 34a_100000219623_100000187820 [0,1,0,0,0,1|2,0,0]=4 3039 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 2230a_100020629279_100000747473 [0,1,0,0,0,1|2,0,0]=4 3040 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 269982a_100020629279_100000187820 [0,1,0,0,0,1|2,0,0]=4 3041 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 34a_100020629279_100000187820 [0,1,0,0,0,1|2,0,0]=4 3042 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 2230a_100000219829_100000747473 [0,1,0,0,0,1|2,0,0]=4 3043 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 269982a_100000219829_100000187820 [0,1,0,0,0,1|2,0,0]=4 3044 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 34a_100000219829_100000187820 [0,1,0,0,0,1|2,0,0]=4 3045 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 2230a_100000743151_100000747473 [0,1,0,0,0,1|2,0,0]=4 3046 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 269982a_100000743151_100000187820 [0,1,0,0,0,1|2,0,0]=4 3047 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 34a_100000743151_100000187820 [0,1,0,0,0,1|2,0,0]=4 3048 B13R1.132 CN(CC(=O)N)c1ccc(cc1)O 269982a_100000182112_100000187820 [0,1,0,0,0,1|1,0,0]=3 3049 B13R1.132 CN(CC(=O)N)c1ccc(cc1)O 34a_100000182112_100000187820 [0,1,0,0,0,1|1,0,0]=3 3050 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200000210301 [0,1,0,0,0,1|1,0,0]=3 3051 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200000210301 [0,1,0,0,0,1|1,0,0]=3 3052 B13R1.132 CN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200000210301 [0,1,0,0,0,1|1,0,0]=3 3053 B13R1.132 CN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200000210301 [0,1,0,0,0,1|1,0,0]=3 3054 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Br 269982a_100000219623_100020667443 [0,1,0,0,0,1|1,0,1]=4 3055 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Br 34a_100000219623_100020667443 [0,1,0,0,0,1|1,0,1]=4 3056 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Cl 269982a_100020629279_100020667443 [0,1,0,0,0,1|1,0,1]=4 3057 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Cl 34a_100020629279_100020667443 [0,1,0,0,0,1|1,0,1]=4 3058 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)F 269982a_100000219829_100020667443 [0,1,0,0,0,1|1,0,1]=4 3059 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)F 34a_100000219829_100020667443 [0,1,0,0,0,1|1,0,1]=4 3060 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)I 269982a_100000743151_100020667443 [0,1,0,0,0,1|1,0,1]=4 3061 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)I 34a_100000743151_100020667443 [0,1,0,0,0,1|1,0,1]=4 3062 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)O 269982a_100000182112_100020667443 [0,1,0,0,0,1|0,0,1]=3 3063 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)O 34a_100000182112_100020667443 [0,1,0,0,0,1|0,0,1]=3 3064 B13R1.132 CN(C[N+](=O)[O-])c1ccc(cc1)O 269982a_100000182112_100000761209 [0,1,0,0,0,1|1,0,1]=4 3065 B13R1.132 CN(C[N+](=O)[O-])c1ccc(cc1)O 34a_100000182112_100000761209 [0,1,0,0,0,1|1,0,1]=4 3066 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)O 269982a_100000182112_100009817552 [0,1,0,0,0,1|1,0,1]=4 3067 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)O 34a_100000182112_100009817552 [0,1,0,0,0,1|1,0,1]=4 3068 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)N 1458a_100000188618_100000187820 [0,1,0,0,0,1|2,0,0]=4 3069 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)[O-] 1458a_100000188618_100020667443 [0,1,0,0,0,1|1,0,1]=4 3070 B13R1.132 Cc1ccc(cc1)C(C)CC(=O)[13CH3] 1458a_100011240733_200025704644 [0,1,0,0,0,1|2,0,0]=4 3071 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 2230a_100000219977_100000747473 [0,1,0,0,0,1|2,0,0]=4 3072 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 269982a_100000219977_100000187820 [0,1,0,0,0,1|2,0,0]=4 3073 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 34a_100000219977_100000187820 [0,1,0,0,0,1|2,0,0]=4 3074 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)[O-] 269982a_100000219977_100020667443 [0,1,0,0,0,1|1,0,1]=4 3075 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)[O-] 34a_100000219977_100020667443 [0,1,0,0,0,1|1,0,1]=4 3076 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000187820 [0,1,0,0,0,1|2,0,0]=4 3077 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000187820 [0,1,0,0,0,1|2,0,0]=4 3078 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000187820 [0,1,0,0,0,1|2,0,0]=4 3079 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000187820 [0,1,0,0,0,1|2,0,0]=4 3080 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000187820 [0,1,0,0,0,1|1,0,0]=3 3081 B13R1.132 O=C(C[N+](=O)[O-])c1ccc(cc1)O 1458a_100000212099_100000761209 [0,1,0,0,0,1|1,0,1]=4 3082 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)Br 1458a_100000185839_100020667443 [0,1,0,0,0,1|1,0,1]=4 3083 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100020667443 [0,1,0,0,0,1|1,0,1]=4 3084 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)F 1458a_100000187176_100020667443 [0,1,0,0,0,1|1,0,1]=4 3085 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)I 1458a_100000187904_100020667443 [0,1,0,0,0,1|1,0,1]=4 3086 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)O 1458a_100000212099_100020667443 [0,1,0,0,0,1|0,0,1]=3 3087 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200025704644 [0,1,0,0,0,1|1,0,0]=3 3088 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200025704644 [0,1,0,0,0,1|1,0,0]=3 3089 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200025704644 [0,1,0,0,0,1|1,0,0]=3 3090 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200025704644 [0,1,0,0,0,1|1,0,0]=3 3091 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_200000210301 [0,1,0,0,0,1|2,0,0]=4 3092 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_200000210301 [0,1,0,0,0,1|2,0,0]=4 3093 B13R1.133 CC(=O)C(C)Nc1ccc(cc1)Br 2230a_100000210018_100009814033 [0,1,0,0,0,1|2,0,0]=4 3094 B13R1.133 CC(=O)C(C)Nc1ccc(cc1)Cl 2230a_100000210052_100009814033 [0,1,0,0,0,1|2,0,0]=4 3095 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 1458a_100000181392_200000210301 [0,1,0,0,0,1|2,0,0]=4 3096 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 7a_100000185759_100000179758 [0,1,0,0,0,1|2,0,0]=4 3097 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 1458a_100000183867_200000210301 [0,1,0,0,0,1|2,0,0]=4 3098 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 7a_100000210336_100000179758 [0,1,0,0,0,1|2,0,0]=4 3099 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 1458a_100000184027_200000210301 [0,1,0,0,0,1|2,0,0]=4 3100 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100000179758 [0,1,0,0,0,1|2,0,0]=4 3101 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)F 1458a_100000203723_200000210301 [0,1,0,0,0,1|2,0,0]=4 3102 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100000179758 [0,1,0,0,0,1|2,0,0]=4 3103 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Br 62a_100000752885_100009814033 [0,1,0,0,0,1|2,0,0]=4 3104 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Br 62a_100009814033_100000752885 [0,1,0,0,0,1|2,0,0]=4 3105 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 1458a_100000181072_200000210301 [0,1,0,0,0,1|2,0,0]=4 3106 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 62a_100000186775_100009814033 [0,1,0,0,0,1|2,0,0]=4 3107 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 62a_100009814033_100000186775 [0,1,0,0,0,1|2,0,0]=4 3108 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 1458a_100000178403_200000210301 [0,1,0,0,0,1|2,0,0]=4 3109 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000755918_100009814033 [0,1,0,0,0,1|2,0,0]=4 3110 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 62a_100009814033_100000755918 [0,1,0,0,0,1|2,0,0]=4 3111 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 1458a_100000181075_200000210301 [0,1,0,0,0,1|2,0,0]=4 3112 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 62a_100000211213_100009814033 [0,1,0,0,0,1|2,0,0]=4 3113 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 62a_100009814033_100000211213 [0,1,0,0,0,1|2,0,0]=4 3114 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)N 62a_100000185761_100009814033 [0,1,0,0,0,1|2,0,0]=4 3115 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)N 62a_100009814033_100000185761 [0,1,0,0,0,1|2,0,0]=4 3116 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)O 62a_100009814033_100000185759 [0,1,0,0,0,1|1,0,0]=3 3117 B13R1.133 CC(=O)C(C)Sc1ccc(cn1)O 62a_100000685995_100009814033 [0,1,0,0,0,1|2,0,0]=4 3118 B13R1.133 CC(=O)C(C)Sc1ccc(cn1)O 62a_100009814033_100000744096 [0,1,0,0,0,1|2,0,0]=4 3119 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200000210301 [0,1,0,0,0,1|2,0,0]=4 3120 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200000210301 [0,1,0,0,0,1|2,0,0]=4 3121 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200000210301 [0,1,0,0,0,1|1,0,0]=3 3122 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 11a_100000180866_100015343762 [0,1,0,0,0,1|2,0,0]=4 3123 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 1626a_100000180866_100015343762 [0,1,0,0,0,1|2,0,0]=4 3124 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 240690a_100000180866_100015343762 [0,1,0,0,0,1|2,0,0]=4 3125 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 527a_100000180866_100103153847 [0,1,0,0,0,1|2,0,0]=4 3126 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 11a_100000744650_100015343762 [0,1,0,0,0,1|2,0,0]=4 3127 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 1626a_100000744650_100015343762 [0,1,0,0,0,1|2,0,0]=4 3128 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 240690a_100000744650_100015343762 [0,1,0,0,0,1|2,0,0]=4 3129 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 527a_100000744650_100103153847 [0,1,0,0,0,1|2,0,0]=4 3130 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 11a_100000184517_100015343762 [0,1,0,0,0,1|2,0,0]=4 3131 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 1626a_100000184517_100015343762 [0,1,0,0,0,1|2,0,0]=4 3132 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 240690a_100000184517_100015343762 [0,1,0,0,0,1|2,0,0]=4 3133 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 527a_100000184517_100103153847 [0,1,0,0,0,1|2,0,0]=4 3134 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 11a_100000184576_100015343762 [0,1,0,0,0,1|2,0,0]=4 3135 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 1626a_100000184576_100015343762 [0,1,0,0,0,1|2,0,0]=4 3136 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 240690a_100000184576_100015343762 [0,1,0,0,0,1|2,0,0]=4 3137 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 527a_100000184576_100103153847 [0,1,0,0,0,1|2,0,0]=4 3138 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 240690a_100000207500_100015343762 [0,1,0,0,0,1|1,0,0]=3 3139 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 527a_100000207500_100103153847 [0,1,0,0,0,1|1,0,0]=3 3140 B13R1.133 CC(=O)[C@@H](C)Oc1ccc(cc1)O 1458a_100000005562_200000210301 [0,1,0,0,0,1|1,0,0]=3 3141 B13R1.133 CC(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200000210301 [0,1,0,0,0,1|2,0,0]=4 3142 B13R1.133 CC(Cc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000695199_200025704644 [0,1,0,0,0,1|2,0,0]=4 3143 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000746122_200025704644 [0,1,0,0,0,1|2,0,0]=4 3144 B13R1.133 CC(Nc1ccc(cc1)Br)C(=O)N 2230a_100000210018_100000702099 [0,1,0,0,0,1|2,0,0]=4 3145 B13R1.133 CC(Nc1ccc(cc1)Br)C(=O)N 34a_100000210018_100000702099 [0,1,0,0,0,1|2,0,0]=4 3146 B13R1.133 CC(Nc1ccc(cc1)Cl)C(=O)N 2230a_100000210052_100000702099 [0,1,0,0,0,1|2,0,0]=4 3147 B13R1.133 CC(Nc1ccc(cc1)Cl)C(=O)N 34a_100000210052_100000702099 [0,1,0,0,0,1|2,0,0]=4 3148 B13R1.133 CC(Nc1ccc(cc1)F)C(=O)N 34a_100000185862_100000702099 [0,1,0,0,0,1|2,0,0]=4 3149 B13R1.133 CC(Nc1ccc(cc1)I)C(=O)N 34a_100000185761_100000702099 [0,1,0,0,0,1|2,0,0]=4 3150 B13R1.133 CC(Nc1ccc(cc1)O)C(=O)N 34a_100000185829_100000702099 [0,1,0,0,0,1|1,0,0]=3 3151 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)N 34a_100000185759_100000702099 [0,1,0,0,0,1|2,0,0]=4 3152 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)N 7a_100000185759_100000702099 [0,1,0,0,0,1|2,0,0]=4 3153 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000181392_200025704644 [0,1,0,0,0,1|2,0,0]=4 3154 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 34a_100000210216_100000702099 [0,1,0,0,0,1|2,0,0]=4 3155 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 7a_100000210216_100000702099 [0,1,0,0,0,1|2,0,0]=4 3156 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000184027_200025704644 [0,1,0,0,0,1|2,0,0]=4 3157 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)N 34a_100000210339_100000702099 [0,1,0,0,0,1|2,0,0]=4 3158 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000203723_200025704644 [0,1,0,0,0,1|2,0,0]=4 3159 B13R1.133 CC(Oc1ccc(cc1)I)C(=O)N 34a_100000212066_100000702099 [0,1,0,0,0,1|2,0,0]=4 3160 B13R1.133 CC(Oc1ccc(cc1)I)C(=O)N 7a_100000212066_100000702099 [0,1,0,0,0,1|2,0,0]=4 3161 B13R1.133 CC(Oc1ccc(cc1)N)C(=O)N 34a_100000185829_100000702099 [0,1,0,0,0,1|2,0,0]=4 3162 B13R1.133 CC(Oc1ccc(cc1)O)C(=O)N 271570a_203496583355_100000150412 [0,1,0,0,0,1|1,0,0]=3 3163 B13R1.133 CC(Sc1ccc(cc1)Br)C(=O)N 62a_100000702099_100000752885 [0,1,0,0,0,1|2,0,0]=4 3164 B13R1.133 CC(Sc1ccc(cc1)Br)C(=O)N 62a_100000752885_100000702099 [0,1,0,0,0,1|2,0,0]=4 3165 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)N 62a_100000702099_100000755918 [0,1,0,0,0,1|2,0,0]=4 3166 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)N 62a_100000755918_100000702099 [0,1,0,0,0,1|2,0,0]=4 3167 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000178403_200025704644 [0,1,0,0,0,1|2,0,0]=4 3168 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)N 62a_100000211213_100000702099 [0,1,0,0,0,1|2,0,0]=4 3169 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)N 62a_100000702099_100000211213 [0,1,0,0,0,1|2,0,0]=4 3170 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000181075_200025704644 [0,1,0,0,0,1|2,0,0]=4 3171 B13R1.133 CC(Sc1ccc(cc1)N)C(=O)N 62a_100000185761_100000702099 [0,1,0,0,0,1|2,0,0]=4 3172 B13R1.133 CC(Sc1ccc(cc1)N)C(=O)N 62a_100000702099_100000185761 [0,1,0,0,0,1|2,0,0]=4 3173 B13R1.133 CC(Sc1ccc(cc1)O)C(=O)N 62a_100000702099_100000185759 [0,1,0,0,0,1|1,0,0]=3 3174 B13R1.133 CC(Sc1ccc(cn1)O)C(=O)N 62a_100000685995_100000702099 [0,1,0,0,0,1|2,0,0]=4 3175 B13R1.133 CC(Sc1ccc(cn1)O)C(=O)N 62a_100000702099_100000744096 [0,1,0,0,0,1|2,0,0]=4 3176 B13R1.133 C[C@@H](Oc1ccc(cc1)O)C(=O)[13CH3] 1458a_100000005562_200025704644 [0,1,0,0,0,1|1,0,0]=3 3177 B13R1.133 Cc1ccc(cc1)NC(C)C(=O)N 34a_100000124888_100000702099 [0,1,0,0,0,1|2,0,0]=4 3178 B13R1.133 Cc1ccc(cc1)NC(F)C(=O)N 34a_100000124888_100009813875 [0,1,0,0,0,1|2,0,0]=4 3179 B13R1.133 Cc1ccc(cc1)NC(F)C(=O)[O-] 34a_100000124888_100020610796 [0,1,0,0,0,1|1,0,1]=4 3180 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)N 34a_100000210336_100000702099 [0,1,0,0,0,1|2,0,0]=4 3181 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)N 7a_100000210336_100000702099 [0,1,0,0,0,1|2,0,0]=4 3182 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)[13CH3] 1458a_100000183867_200025704644 [0,1,0,0,0,1|2,0,0]=4 3183 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)N 34a_100000210336_100009813875 [0,1,0,0,0,1|2,0,0]=4 3184 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)N 7a_100000210336_100009813875 [0,1,0,0,0,1|2,0,0]=4 3185 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)[O-] 34a_100000210336_100020610796 [0,1,0,0,0,1|1,0,1]=4 3186 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)N 62a_100000186775_100000702099 [0,1,0,0,0,1|2,0,0]=4 3187 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)N 62a_100000702099_100000186775 [0,1,0,0,0,1|2,0,0]=4 3188 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)[13CH3] 1458a_100000181072_200025704644 [0,1,0,0,0,1|2,0,0]=4 3189 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)N 62a_100000186775_100009813875 [0,1,0,0,0,1|2,0,0]=4 3190 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)N 62a_100009813875_100000186775 [0,1,0,0,0,1|2,0,0]=4 3191 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)[O-] 62a_100000186775_100020610796 [0,1,0,0,0,1|1,0,1]=4 3192 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)[O-] 62a_100020610796_100000186775 [0,1,0,0,0,1|1,0,1]=4 3193 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100011215815 [0,1,0,0,0,1|1,0,1]=4 3194 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Br 2230a_100000210018_100009813875 [0,1,0,0,0,1|2,0,0]=4 3195 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Br 34a_100000210018_100009813875 [0,1,0,0,0,1|2,0,0]=4 3196 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Cl 2230a_100000210052_100009813875 [0,1,0,0,0,1|2,0,0]=4 3197 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Cl 34a_100000210052_100009813875 [0,1,0,0,0,1|2,0,0]=4 3198 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)F 34a_100000185862_100009813875 [0,1,0,0,0,1|2,0,0]=4 3199 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)I 34a_100000185761_100009813875 [0,1,0,0,0,1|2,0,0]=4 3200 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)O 34a_100000185829_100009813875 [0,1,0,0,0,1|1,0,0]=3 3201 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Br 34a_100000185759_100009813875 [0,1,0,0,0,1|2,0,0]=4 3202 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Br 7a_100000185759_100009813875 [0,1,0,0,0,1|2,0,0]=4 3203 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Cl 34a_100000210216_100009813875 [0,1,0,0,0,1|2,0,0]=4 3204 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Cl 7a_100000210216_100009813875 [0,1,0,0,0,1|2,0,0]=4 3205 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)F 34a_100000210339_100009813875 [0,1,0,0,0,1|2,0,0]=4 3206 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)I 34a_100000212066_100009813875 [0,1,0,0,0,1|2,0,0]=4 3207 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)I 7a_100000212066_100009813875 [0,1,0,0,0,1|2,0,0]=4 3208 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)N 34a_100000185829_100009813875 [0,1,0,0,0,1|2,0,0]=4 3209 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Br 62a_100000752885_100009813875 [0,1,0,0,0,1|2,0,0]=4 3210 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Br 62a_100009813875_100000752885 [0,1,0,0,0,1|2,0,0]=4 3211 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Cl 62a_100000755918_100009813875 [0,1,0,0,0,1|2,0,0]=4 3212 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Cl 62a_100009813875_100000755918 [0,1,0,0,0,1|2,0,0]=4 3213 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)F 62a_100000211213_100009813875 [0,1,0,0,0,1|2,0,0]=4 3214 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)F 62a_100009813875_100000211213 [0,1,0,0,0,1|2,0,0]=4 3215 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)N 62a_100000185761_100009813875 [0,1,0,0,0,1|2,0,0]=4 3216 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)N 62a_100009813875_100000185761 [0,1,0,0,0,1|2,0,0]=4 3217 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)O 62a_100009813875_100000185759 [0,1,0,0,0,1|1,0,0]=3 3218 B13R1.133 NC(=O)C(F)Sc1ccc(cn1)O 62a_100000685995_100009813875 [0,1,0,0,0,1|2,0,0]=4 3219 B13R1.133 NC(=O)C(F)Sc1ccc(cn1)O 62a_100009813875_100000744096 [0,1,0,0,0,1|2,0,0]=4 3220 B13R1.133 Nc1ccc(cc1)OC(F)C(=O)[O-] 34a_100000185829_100020610796 [0,1,0,0,0,1|1,0,1]=4 3221 B13R1.133 Nc1ccc(cc1)SC(F)C(=O)[O-] 62a_100000185761_100020610796 [0,1,0,0,0,1|1,0,1]=4 3222 B13R1.133 Nc1ccc(cc1)SC(F)C(=O)[O-] 62a_100020610796_100000185761 [0,1,0,0,0,1|1,0,1]=4 3223 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)Br 34a_100000210018_100020610796 [0,1,0,0,0,1|1,0,1]=4 3224 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)Cl 34a_100000210052_100020610796 [0,1,0,0,0,1|1,0,1]=4 3225 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)F 34a_100000185862_100020610796 [0,1,0,0,0,1|1,0,1]=4 3226 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)I 34a_100000185761_100020610796 [0,1,0,0,0,1|1,0,1]=4 3227 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)O 34a_100000185829_100020610796 [0,1,0,0,0,1|0,0,1]=3 3228 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)Br 34a_100000185759_100020610796 [0,1,0,0,0,1|1,0,1]=4 3229 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)Cl 34a_100000210216_100020610796 [0,1,0,0,0,1|1,0,1]=4 3230 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)F 34a_100000210339_100020610796 [0,1,0,0,0,1|1,0,1]=4 3231 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)I 34a_100000212066_100020610796 [0,1,0,0,0,1|1,0,1]=4 3232 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Br 62a_100000752885_100020610796 [0,1,0,0,0,1|1,0,1]=4 3233 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Br 62a_100020610796_100000752885 [0,1,0,0,0,1|1,0,1]=4 3234 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Cl 62a_100000755918_100020610796 [0,1,0,0,0,1|1,0,1]=4 3235 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Cl 62a_100020610796_100000755918 [0,1,0,0,0,1|1,0,1]=4 3236 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)F 62a_100000211213_100020610796 [0,1,0,0,0,1|1,0,1]=4 3237 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)F 62a_100020610796_100000211213 [0,1,0,0,0,1|1,0,1]=4 3238 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)O 62a_100020610796_100000185759 [0,1,0,0,0,1|0,0,1]=3 3239 B13R1.133 O=C([O-])C(F)Sc1ccc(cn1)O 62a_100000685995_100020610796 [0,1,0,0,0,1|1,0,1]=4 3240 B13R1.133 O=C([O-])C(F)Sc1ccc(cn1)O 62a_100020610796_100000744096 [0,1,0,0,0,1|1,0,1]=4 3241 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200025704644 [0,1,0,0,0,1|2,0,0]=4 3242 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200025704644 [0,1,0,0,0,1|2,0,0]=4 3243 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200025704644 [0,1,0,0,0,1|1,0,0]=3 3244 B13R1.133 [13CH3]C(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200025704644 [0,1,0,0,0,1|2,0,0]=4 3245 B13R1.164 C=C(C)CNc1ccc(cc1Br)O 34a_100012001276_100000748629 [0,1,0,0,0,1|2,0,0]=4 3246 B13R1.164 C=C(C)CNc1ccc(cc1C)O 34a_100000756630_100000748629 [0,1,0,0,0,1|2,0,0]=4 3247 B13R1.164 C=C(C)CNc1ccc(cc1Cl)O 34a_100011215599_100000748629 [0,1,0,0,0,1|2,0,0]=4 3248 B13R1.164 C=C(C)CNc1ccc(cc1F)O 34a_100000759473_100000748629 [0,1,0,0,0,1|2,0,0]=4 3249 B13R1.164 C=C(C)CNc1ccc(cc1I)O 34a_100010084370_100000748629 [0,1,0,0,0,1|2,0,0]=4 3250 B13R1.164 C=C(C)CNc1ccc(cc1O)O 34a_100000106777_100000748629 [0,1,0,0,0,1|2,0,0]=4 3251 B13R1.164 C=C(C)CSc1ccc(cc1Br)O 62a_100000701344_100000211660 [0,1,0,0,0,1|2,0,0]=4 3252 B13R1.164 C=C(C)CSc1ccc(cc1Br)O 62a_100000748629_100000701344 [0,1,0,0,0,1|2,0,0]=4 3253 B13R1.164 C=C(C)CSc1ccc(cc1C)O 62a_100000748629_100000690111 [0,1,0,0,0,1|2,0,0]=4 3254 B13R1.164 C=C(C)CSc1ccc(cc1Cl)O 62a_100000047559_100000211660 [0,1,0,0,0,1|2,0,0]=4 3255 B13R1.164 C=C(C)CSc1ccc(cc1Cl)O 62a_100000748629_100000047559 [0,1,0,0,0,1|2,0,0]=4 3256 B13R1.164 C=C(C)CSc1ccc(cc1F)O 62a_100000748629_100000755031 [0,1,0,0,0,1|2,0,0]=4 3257 B13R1.164 C=C(C)CSc1ccc(cc1F)O 62a_100000755031_100000211660 [0,1,0,0,0,1|2,0,0]=4 3258 B13R1.164 C=C(C)CSc1ccc(cc1N)O 62a_100000748629_100011999798 [0,1,0,0,0,1|2,0,0]=4 3259 B13R1.164 C=C(C)CSc1ccc(cc1N)O 62a_100011999798_100000211660 [0,1,0,0,0,1|2,0,0]=4 3260 B13R1.164 C=C(C)CSc1ccc(cc1O)O 62a_100000748629_100009813921 [0,1,0,0,0,1|2,0,0]=4 3261 B13R1.164 C=C(F)CNc1ccc(cc1Br)O 34a_100012001276_100009893438 [0,1,0,0,0,1|2,0,0]=4 3262 B13R1.164 C=C(F)CNc1ccc(cc1C)O 34a_100000756630_100009893438 [0,1,0,0,0,1|2,0,0]=4 3263 B13R1.164 C=C(F)CNc1ccc(cc1Cl)O 34a_100011215599_100009893438 [0,1,0,0,0,1|2,0,0]=4 3264 B13R1.164 C=C(F)CNc1ccc(cc1F)O 34a_100000759473_100009893438 [0,1,0,0,0,1|2,0,0]=4 3265 B13R1.164 C=C(F)CNc1ccc(cc1I)O 34a_100010084370_100009893438 [0,1,0,0,0,1|2,0,0]=4 3266 B13R1.164 C=C(F)CNc1ccc(cc1O)O 34a_100000106777_100009893438 [0,1,0,0,0,1|2,0,0]=4 3267 B13R1.164 C=C(F)CSc1ccc(cc1Br)O 62a_100000042424_100000701344 [0,1,0,0,0,1|2,0,0]=4 3268 B13R1.164 C=C(F)CSc1ccc(cc1Br)O 62a_100000701344_100000042424 [0,1,0,0,0,1|2,0,0]=4 3269 B13R1.164 C=C(F)CSc1ccc(cc1C)O 62a_100000042424_100000690111 [0,1,0,0,0,1|2,0,0]=4 3270 B13R1.164 C=C(F)CSc1ccc(cc1Cl)O 62a_100000042424_100000047559 [0,1,0,0,0,1|2,0,0]=4 3271 B13R1.164 C=C(F)CSc1ccc(cc1Cl)O 62a_100000047559_100000042424 [0,1,0,0,0,1|2,0,0]=4 3272 B13R1.164 C=C(F)CSc1ccc(cc1F)O 62a_100000042424_100000755031 [0,1,0,0,0,1|2,0,0]=4 3273 B13R1.164 C=C(F)CSc1ccc(cc1F)O 62a_100000755031_100000042424 [0,1,0,0,0,1|2,0,0]=4 3274 B13R1.164 C=C(F)CSc1ccc(cc1N)O 62a_100000042424_100011999798 [0,1,0,0,0,1|2,0,0]=4 3275 B13R1.164 C=C(F)CSc1ccc(cc1N)O 62a_100011999798_100000042424 [0,1,0,0,0,1|2,0,0]=4 3276 B13R1.164 C=C(F)CSc1ccc(cc1O)O 62a_100000042424_100009813921 [0,1,0,0,0,1|2,0,0]=4 3277 B13R1.164 CC(=O)CCc1ccc(cc1Br)Cl 1458a_100000070787_200012945151 [0,1,0,0,0,1|2,0,0]=4 3278 B13R1.164 CC(=O)CCc1ccc(cc1Br)F 1458a_100011308366_200000210301 [0,1,0,0,0,1|2,0,0]=4 3279 B13R1.164 CC(=O)CCc1ccc(cc1C)C 1458a_100000239910_200000210301 [0,1,0,0,0,1|2,0,0]=4 3280 B13R1.164 CC(=O)CCc1ccc(cc1C)F 1458a_100011615716_200000210301 [0,1,0,0,0,1|2,0,0]=4 3281 B13R1.164 CC(=O)CCc1ccc(cc1Cl)Br 1458a_100012349522_200000210301 [0,1,0,0,0,1|2,0,0]=4 3282 B13R1.164 CC(=O)CCc1ccc(cc1Cl)Cl 1458a_100000070787_200012161198 [0,1,0,0,0,1|2,0,0]=4 3283 B13R1.164 CC(=O)CCc1ccc(cc1Cl)Cl 1458a_100000736762_200000210301 [0,1,0,0,0,1|2,0,0]=4 3284 B13R1.164 CC(=O)CCc1ccc(cc1Cl)F 1458a_100011308368_200000210301 [0,1,0,0,0,1|2,0,0]=4 3285 B13R1.164 CC(=O)CCc1ccc(cc1F)Br 1458a_100000747174_200000210301 [0,1,0,0,0,1|2,0,0]=4 3286 B13R1.164 CC(=O)CCc1ccc(cc1F)C 1458a_100000061718_200000210301 [0,1,0,0,0,1|2,0,0]=4 3287 B13R1.164 CC(=O)CCc1ccc(cc1F)Cl 1458a_100012351355_200000210301 [0,1,0,0,0,1|2,0,0]=4 3288 B13R1.164 CC(=O)CCc1ccc(cc1F)F 1458a_100000691965_200000210301 [0,1,0,0,0,1|2,0,0]=4 3289 B13R1.164 CC(=O)CCc1ccc(cc1O)O 1458a_100000041388_200000210301 [0,1,0,0,0,1|1,0,0]=3 3290 B13R1.164 CC(=O)COc1ccc(cc1Br)Br 1458a_200000181479_200000210301 [0,1,0,0,0,1|2,0,0]=4 3291 B13R1.164 CC(=O)COc1ccc(cc1Br)C 1458a_100000186371_200000210301 [0,1,0,0,0,1|2,0,0]=4 3292 B13R1.164 CC(=O)COc1ccc(cc1Br)Cl 1458a_100000184090_200000210301 [0,1,0,0,0,1|2,0,0]=4 3293 B13R1.164 CC(=O)COc1ccc(cc1Br)F 1458a_100000184067_200000210301 [0,1,0,0,0,1|2,0,0]=4 3294 B13R1.164 CC(=O)COc1ccc(cc1C)C 1458a_200000185146_200000210301 [0,1,0,0,0,1|2,0,0]=4 3295 B13R1.164 CC(=O)COc1ccc(cc1C)Cl 1458a_100000182498_200000210301 [0,1,0,0,0,1|2,0,0]=4 3296 B13R1.164 CC(=O)COc1ccc(cc1Cl)Br 1458a_100000185252_200000210301 [0,1,0,0,0,1|2,0,0]=4 3297 B13R1.164 CC(=O)COc1ccc(cc1Cl)C 1458a_200011725833_200000210301 [0,1,0,0,0,1|2,0,0]=4 3298 B13R1.164 CC(=O)COc1ccc(cc1Cl)Cl 1458a_100102647096_200000210301 [0,1,0,0,0,1|2,0,0]=4 3299 B13R1.164 CC(=O)COc1ccc(cc1Cl)F 1458a_100000191239_200000210301 [0,1,0,0,0,1|2,0,0]=4 3300 B13R1.164 CC(=O)COc1ccc(cc1F)Br 1458a_100000184069_200000210301 [0,1,0,0,0,1|2,0,0]=4 3301 B13R1.164 CC(=O)COc1ccc(cc1F)Cl 1458a_100012771990_200000210301 [0,1,0,0,0,1|2,0,0]=4 3302 B13R1.164 CC(=O)COc1ccc(cc1F)F 1458a_100000737261_200000210301 [0,1,0,0,0,1|2,0,0]=4 3303 B13R1.164 CC(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200000210301 [0,1,0,0,0,1|2,0,0]=4 3304 B13R1.164 CC(=O)CSc1ccc(cc1C)Br 1458a_100000679851_200000210301 [0,1,0,0,0,1|2,0,0]=4 3305 B13R1.164 CC(=O)NCc1ccc(cc1Br)Cl 11a_100102692131_100015343762 [0,1,0,0,0,1|2,0,0]=4 3306 B13R1.164 CC(=O)NCc1ccc(cc1Br)Cl 1626a_100102692131_100015343762 [0,1,0,0,0,1|2,0,0]=4 3307 B13R1.164 CC(=O)NCc1ccc(cc1Br)Cl 240690a_100102692131_100015343762 [0,1,0,0,0,1|2,0,0]=4 3308 B13R1.164 CC(=O)NCc1ccc(cc1Br)Cl 527a_100102692131_100103153847 [0,1,0,0,0,1|2,0,0]=4 3309 B13R1.164 CC(=O)NCc1ccc(cc1Br)F 11a_100000708791_100015343762 [0,1,0,0,0,1|2,0,0]=4 3310 B13R1.164 CC(=O)NCc1ccc(cc1Br)F 1626a_100000708791_100015343762 [0,1,0,0,0,1|2,0,0]=4 3311 B13R1.164 CC(=O)NCc1ccc(cc1Br)F 240690a_100000708791_100015343762 [0,1,0,0,0,1|2,0,0]=4 3312 B13R1.164 CC(=O)NCc1ccc(cc1Br)F 527a_100000708791_100103153847 [0,1,0,0,0,1|2,0,0]=4 3313 B13R1.164 CC(=O)NCc1ccc(cc1C)Br 11a_100000753881_100015343762 [0,1,0,0,0,1|2,0,0]=4 3314 B13R1.164 CC(=O)NCc1ccc(cc1C)Br 1626a_100000753881_100015343762 [0,1,0,0,0,1|2,0,0]=4 3315 B13R1.164 CC(=O)NCc1ccc(cc1C)Br 240690a_100000753881_100015343762 [0,1,0,0,0,1|2,0,0]=4 3316 B13R1.164 CC(=O)NCc1ccc(cc1C)Br 527a_100000753881_100103153847 [0,1,0,0,0,1|2,0,0]=4 3317 B13R1.164 CC(=O)NCc1ccc(cc1C)C 11a_100000737523_100015343762 [0,1,0,0,0,1|2,0,0]=4 3318 B13R1.164 CC(=O)NCc1ccc(cc1C)C 1626a_100000737523_100015343762 [0,1,0,0,0,1|2,0,0]=4 3319 B13R1.164 CC(=O)NCc1ccc(cc1C)C 240690a_100000737523_100015343762 [0,1,0,0,0,1|2,0,0]=4 3320 B13R1.164 CC(=O)NCc1ccc(cc1C)C 527a_100000737523_100103153847 [0,1,0,0,0,1|2,0,0]=4 3321 B13R1.164 CC(=O)NCc1ccc(cc1C)Cl 11a_103436540063_100015343762 [0,1,0,0,0,1|2,0,0]=4 3322 B13R1.164 CC(=O)NCc1ccc(cc1C)Cl 1626a_103436540063_100015343762 [0,1,0,0,0,1|2,0,0]=4 3323 B13R1.164 CC(=O)NCc1ccc(cc1C)Cl 240690a_103436540063_100015343762 [0,1,0,0,0,1|2,0,0]=4 3324 B13R1.164 CC(=O)NCc1ccc(cc1C)Cl 527a_103436540063_100103153847 [0,1,0,0,0,1|2,0,0]=4 3325 B13R1.164 CC(=O)NCc1ccc(cc1C)F 11a_100137329023_100015343762 [0,1,0,0,0,1|2,0,0]=4 3326 B13R1.164 CC(=O)NCc1ccc(cc1C)F 1626a_100137329023_100015343762 [0,1,0,0,0,1|2,0,0]=4 3327 B13R1.164 CC(=O)NCc1ccc(cc1C)F 240690a_100137329023_100015343762 [0,1,0,0,0,1|2,0,0]=4 3328 B13R1.164 CC(=O)NCc1ccc(cc1C)F 527a_100137329023_100103153847 [0,1,0,0,0,1|2,0,0]=4 3329 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Br 11a_100020628970_100015343762 [0,1,0,0,0,1|2,0,0]=4 3330 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Br 1626a_100020628970_100015343762 [0,1,0,0,0,1|2,0,0]=4 3331 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Br 240690a_100020628970_100015343762 [0,1,0,0,0,1|2,0,0]=4 3332 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Br 527a_100020628970_100103153847 [0,1,0,0,0,1|2,0,0]=4 3333 B13R1.164 CC(=O)NCc1ccc(cc1Cl)C 11a_100011997539_100015343762 [0,1,0,0,0,1|2,0,0]=4 3334 B13R1.164 CC(=O)NCc1ccc(cc1Cl)C 1626a_100011997539_100015343762 [0,1,0,0,0,1|2,0,0]=4 3335 B13R1.164 CC(=O)NCc1ccc(cc1Cl)C 240690a_100011997539_100015343762 [0,1,0,0,0,1|2,0,0]=4 3336 B13R1.164 CC(=O)NCc1ccc(cc1Cl)C 527a_100011997539_100103153847 [0,1,0,0,0,1|2,0,0]=4 3337 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Cl 11a_100000174880_100015343762 [0,1,0,0,0,1|2,0,0]=4 3338 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Cl 1626a_100000174880_100015343762 [0,1,0,0,0,1|2,0,0]=4 3339 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Cl 240690a_100000174880_100015343762 [0,1,0,0,0,1|2,0,0]=4 3340 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Cl 527a_100000174880_100103153847 [0,1,0,0,0,1|2,0,0]=4 3341 B13R1.164 CC(=O)NCc1ccc(cc1Cl)F 11a_100000174946_100015343762 [0,1,0,0,0,1|2,0,0]=4 3342 B13R1.164 CC(=O)NCc1ccc(cc1Cl)F 1626a_100000174946_100015343762 [0,1,0,0,0,1|2,0,0]=4 3343 B13R1.164 CC(=O)NCc1ccc(cc1Cl)F 240690a_100000174946_100015343762 [0,1,0,0,0,1|2,0,0]=4 3344 B13R1.164 CC(=O)NCc1ccc(cc1Cl)F 527a_100000174946_100103153847 [0,1,0,0,0,1|2,0,0]=4 3345 B13R1.164 CC(=O)NCc1ccc(cc1Cl)O 240690a_200161156549_100015343762 [0,1,0,0,0,1|1,0,0]=3 3346 B13R1.164 CC(=O)NCc1ccc(cc1Cl)O 527a_200161156549_100103153847 [0,1,0,0,0,1|1,0,0]=3 3347 B13R1.164 CC(=O)NCc1ccc(cc1F)Br 11a_100000754580_100015343762 [0,1,0,0,0,1|2,0,0]=4 3348 B13R1.164 CC(=O)NCc1ccc(cc1F)Br 1626a_100000754580_100015343762 [0,1,0,0,0,1|2,0,0]=4 3349 B13R1.164 CC(=O)NCc1ccc(cc1F)Br 240690a_100000754580_100015343762 [0,1,0,0,0,1|2,0,0]=4 3350 B13R1.164 CC(=O)NCc1ccc(cc1F)Br 527a_100000754580_100103153847 [0,1,0,0,0,1|2,0,0]=4 3351 B13R1.164 CC(=O)NCc1ccc(cc1F)C 11a_100102887089_100015343762 [0,1,0,0,0,1|2,0,0]=4 3352 B13R1.164 CC(=O)NCc1ccc(cc1F)C 1626a_100102887089_100015343762 [0,1,0,0,0,1|2,0,0]=4 3353 B13R1.164 CC(=O)NCc1ccc(cc1F)C 240690a_100102887089_100015343762 [0,1,0,0,0,1|2,0,0]=4 3354 B13R1.164 CC(=O)NCc1ccc(cc1F)C 527a_100102887089_100103153847 [0,1,0,0,0,1|2,0,0]=4 3355 B13R1.164 CC(=O)NCc1ccc(cc1F)Cl 11a_100000708496_100015343762 [0,1,0,0,0,1|2,0,0]=4 3356 B13R1.164 CC(=O)NCc1ccc(cc1F)Cl 1626a_100000708496_100015343762 [0,1,0,0,0,1|2,0,0]=4 3357 B13R1.164 CC(=O)NCc1ccc(cc1F)Cl 240690a_100000708496_100015343762 [0,1,0,0,0,1|2,0,0]=4 3358 B13R1.164 CC(=O)NCc1ccc(cc1F)Cl 527a_100000708496_100103153847 [0,1,0,0,0,1|2,0,0]=4 3359 B13R1.164 CC(=O)NCc1ccc(cc1F)F 11a_100000737868_100015343762 [0,1,0,0,0,1|2,0,0]=4 3360 B13R1.164 CC(=O)NCc1ccc(cc1F)F 1626a_100000737868_100015343762 [0,1,0,0,0,1|2,0,0]=4 3361 B13R1.164 CC(=O)NCc1ccc(cc1F)F 240690a_100000737868_100015343762 [0,1,0,0,0,1|2,0,0]=4 3362 B13R1.164 CC(=O)NCc1ccc(cc1F)F 527a_100000737868_100103153847 [0,1,0,0,0,1|2,0,0]=4 3363 B13R1.164 CC(O)CNc1ccc(cc1Br)O 34a_100012001276_100011218427 [0,1,0,0,0,1|1,0,1]=4 3364 B13R1.164 CC(O)CNc1ccc(cc1Cl)O 34a_100011215599_100011218427 [0,1,0,0,0,1|1,0,1]=4 3365 B13R1.164 CC(O)CNc1ccc(cc1F)O 34a_100000759473_100011218427 [0,1,0,0,0,1|1,0,1]=4 3366 B13R1.164 CC(O)CNc1ccc(cc1I)O 34a_100010084370_100011218427 [0,1,0,0,0,1|1,0,1]=4 3367 B13R1.164 CC(O)CNc1ccc(cc1O)O 34a_100000106777_100011218427 [0,1,0,0,0,1|1,0,1]=4 3368 B13R1.164 CC(O)CSc1ccc(cc1Br)O 62a_100000701344_100011218427 [0,1,0,0,0,1|1,0,1]=4 3369 B13R1.164 CC(O)CSc1ccc(cc1Br)O 62a_100011218427_100000701344 [0,1,0,0,0,1|1,0,1]=4 3370 B13R1.164 CC(O)CSc1ccc(cc1Cl)O 62a_100000047559_100011218427 [0,1,0,0,0,1|1,0,1]=4 3371 B13R1.164 CC(O)CSc1ccc(cc1Cl)O 62a_100011218427_100000047559 [0,1,0,0,0,1|1,0,1]=4 3372 B13R1.164 CC(O)CSc1ccc(cc1F)O 62a_100000755031_100011218427 [0,1,0,0,0,1|1,0,1]=4 3373 B13R1.164 CC(O)CSc1ccc(cc1F)O 62a_100011218427_100000755031 [0,1,0,0,0,1|1,0,1]=4 3374 B13R1.164 CC(O)CSc1ccc(cc1N)O 62a_100011218427_100011999798 [0,1,0,0,0,1|1,0,1]=4 3375 B13R1.164 CC(O)CSc1ccc(cc1N)O 62a_100011999798_100011218427 [0,1,0,0,0,1|1,0,1]=4 3376 B13R1.164 CC(O)CSc1ccc(cc1O)O 62a_100011218427_100009813921 [0,1,0,0,0,1|1,0,1]=4 3377 B13R1.164 C[C@@H](O)CNc1ccc(cc1Br)O 34a_100012001276_100009817552 [0,1,0,0,0,1|1,0,1]=4 3378 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)O 34a_100011215599_100009817552 [0,1,0,0,0,1|1,0,1]=4 3379 B13R1.164 C[C@@H](O)CNc1ccc(cc1F)O 34a_100000759473_100009817552 [0,1,0,0,0,1|1,0,1]=4 3380 B13R1.164 C[C@@H](O)CNc1ccc(cc1I)O 34a_100010084370_100009817552 [0,1,0,0,0,1|1,0,1]=4 3381 B13R1.164 C[C@@H](O)CNc1ccc(cc1O)O 34a_100000106777_100009817552 [0,1,0,0,0,1|1,0,1]=4 3382 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)O 62a_100000701344_100009817552 [0,1,0,0,0,1|1,0,1]=4 3383 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)O 62a_100009817552_100000701344 [0,1,0,0,0,1|1,0,1]=4 3384 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)O 62a_100000047559_100009817552 [0,1,0,0,0,1|1,0,1]=4 3385 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)O 62a_100009817552_100000047559 [0,1,0,0,0,1|1,0,1]=4 3386 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)O 62a_100000755031_100009817552 [0,1,0,0,0,1|1,0,1]=4 3387 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)O 62a_100009817552_100000755031 [0,1,0,0,0,1|1,0,1]=4 3388 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)O 62a_100009817552_100011999798 [0,1,0,0,0,1|1,0,1]=4 3389 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)O 62a_100011999798_100009817552 [0,1,0,0,0,1|1,0,1]=4 3390 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)O 62a_100009817552_100009813921 [0,1,0,0,0,1|1,0,1]=4 3391 B13R1.164 Cc1cc(ccc1CCC(=O)[13CH3])F 1458a_100011615716_200025704644 [0,1,0,0,0,1|2,0,0]=4 3392 B13R1.164 Cc1cc(ccc1NCC(=O)N)Br 34a_100000211769_100000187820 [0,1,0,0,0,1|2,0,0]=4 3393 B13R1.164 Cc1cc(ccc1NCC(=O)N)Br 7a_100000211769_100000187820 [0,1,0,0,0,1|2,0,0]=4 3394 B13R1.164 Cc1cc(ccc1NCC(=O)N)Cl 34a_100000210418_100000187820 [0,1,0,0,0,1|2,0,0]=4 3395 B13R1.164 Cc1cc(ccc1NCC(=O)N)Cl 7a_100000210418_100000187820 [0,1,0,0,0,1|2,0,0]=4 3396 B13R1.164 Cc1cc(ccc1NCC(=O)N)F 34a_100000211637_100000187820 [0,1,0,0,0,1|2,0,0]=4 3397 B13R1.164 Cc1cc(ccc1NCC(=O)N)F 7a_100000211637_100000187820 [0,1,0,0,0,1|2,0,0]=4 3398 B13R1.164 Cc1cc(ccc1NCC(=O)N)I 34a_100000184554_100000187820 [0,1,0,0,0,1|2,0,0]=4 3399 B13R1.164 Cc1cc(ccc1NCC(=O)N)I 7a_100000184554_100000187820 [0,1,0,0,0,1|2,0,0]=4 3400 B13R1.164 Cc1cc(ccc1NCC(=O)N)O 34a_100000756630_100000187820 [0,1,0,0,0,1|1,0,0]=3 3401 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])Br 34a_100000211769_100020667443 [0,1,0,0,0,1|1,0,1]=4 3402 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])Cl 34a_100000210418_100020667443 [0,1,0,0,0,1|1,0,1]=4 3403 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])F 34a_100000211637_100020667443 [0,1,0,0,0,1|1,0,1]=4 3404 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])I 34a_100000184554_100020667443 [0,1,0,0,0,1|1,0,1]=4 3405 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])O 34a_100000756630_100020667443 [0,1,0,0,0,1|0,0,1]=3 3406 B13R1.164 Cc1cc(ccc1NCC(C)O)O 34a_100000756630_100011218427 [0,1,0,0,0,1|1,0,1]=4 3407 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)O 34a_100000756630_100009817552 [0,1,0,0,0,1|1,0,1]=4 3408 B13R1.164 Cc1cc(ccc1NC[N+](=O)[O-])O 34a_100000756630_100000761209 [0,1,0,0,0,1|1,0,1]=4 3409 B13R1.164 Cc1cc(ccc1OCC(=O)N)Br 34a_100000186361_100000187820 [0,1,0,0,0,1|2,0,0]=4 3410 B13R1.164 Cc1cc(ccc1OCC(=O)N)Br 7a_100000186361_100000187820 [0,1,0,0,0,1|2,0,0]=4 3411 B13R1.164 Cc1cc(ccc1OCC(=O)N)Cl 34a_100000211091_100000187820 [0,1,0,0,0,1|2,0,0]=4 3412 B13R1.164 Cc1cc(ccc1OCC(=O)N)Cl 7a_100000211091_100000187820 [0,1,0,0,0,1|2,0,0]=4 3413 B13R1.164 Cc1cc(ccc1OCC(=O)N)F 34a_100000764316_100000187820 [0,1,0,0,0,1|2,0,0]=4 3414 B13R1.164 Cc1cc(ccc1OCC(=O)N)F 7a_100000764316_100000187820 [0,1,0,0,0,1|2,0,0]=4 3415 B13R1.164 Cc1cc(ccc1OCC(=O)N)I 34a_100011218673_100000187820 [0,1,0,0,0,1|2,0,0]=4 3416 B13R1.164 Cc1cc(ccc1OCC(=O)N)I 7a_100011218673_100000187820 [0,1,0,0,0,1|2,0,0]=4 3417 B13R1.164 Cc1cc(ccc1OCC(=O)N)N 34a_100011218179_100000187820 [0,1,0,0,0,1|2,0,0]=4 3418 B13R1.164 Cc1cc(ccc1OCC(=O)N)N 7a_100011218179_100000187820 [0,1,0,0,0,1|2,0,0]=4 3419 B13R1.164 Cc1cc(ccc1OCC(=O)[13CH3])Cl 1458a_100000182498_200025704644 [0,1,0,0,0,1|2,0,0]=4 3420 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])Br 34a_100000186361_100020667443 [0,1,0,0,0,1|1,0,1]=4 3421 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])Cl 34a_100000211091_100020667443 [0,1,0,0,0,1|1,0,1]=4 3422 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])F 34a_100000764316_100020667443 [0,1,0,0,0,1|1,0,1]=4 3423 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])I 34a_100011218673_100020667443 [0,1,0,0,0,1|1,0,1]=4 3424 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])N 34a_100011218179_100020667443 [0,1,0,0,0,1|1,0,1]=4 3425 B13R1.164 Cc1cc(ccc1SCC(=O)N)Br 62a_100000701812_100000747473 [0,1,0,0,0,1|2,0,0]=4 3426 B13R1.164 Cc1cc(ccc1SCC(=O)N)Br 62a_100000747473_100000701812 [0,1,0,0,0,1|2,0,0]=4 3427 B13R1.164 Cc1cc(ccc1SCC(=O)N)Cl 62a_100000747473_100011219607 [0,1,0,0,0,1|2,0,0]=4 3428 B13R1.164 Cc1cc(ccc1SCC(=O)N)Cl 62a_100011219607_100000747473 [0,1,0,0,0,1|2,0,0]=4 3429 B13R1.164 Cc1cc(ccc1SCC(=O)N)F 62a_100000747473_100011205405 [0,1,0,0,0,1|2,0,0]=4 3430 B13R1.164 Cc1cc(ccc1SCC(=O)N)F 62a_100011205405_100000747473 [0,1,0,0,0,1|2,0,0]=4 3431 B13R1.164 Cc1cc(ccc1SCC(=O)N)N 62a_100000210723_100000747473 [0,1,0,0,0,1|2,0,0]=4 3432 B13R1.164 Cc1cc(ccc1SCC(=O)N)N 62a_100000747473_100000210723 [0,1,0,0,0,1|2,0,0]=4 3433 B13R1.164 Cc1cc(ccc1SCC(=O)N)O 62a_100000747473_100000690111 [0,1,0,0,0,1|1,0,0]=3 3434 B13R1.164 Cc1cc(ccc1SCC(=O)[13CH3])Br 1458a_100000679851_200025704644 [0,1,0,0,0,1|2,0,0]=4 3435 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])Br 62a_100000701812_100020667443 [0,1,0,0,0,1|1,0,1]=4 3436 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])Br 62a_100020667443_100000701812 [0,1,0,0,0,1|1,0,1]=4 3437 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])Cl 62a_100011219607_100020667443 [0,1,0,0,0,1|1,0,1]=4 3438 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])Cl 62a_100020667443_100011219607 [0,1,0,0,0,1|1,0,1]=4 3439 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])F 62a_100011205405_100020667443 [0,1,0,0,0,1|1,0,1]=4 3440 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])F 62a_100020667443_100011205405 [0,1,0,0,0,1|1,0,1]=4 3441 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])N 62a_100000210723_100020667443 [0,1,0,0,0,1|1,0,1]=4 3442 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])N 62a_100020667443_100000210723 [0,1,0,0,0,1|1,0,1]=4 3443 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])O 62a_100020667443_100000690111 [0,1,0,0,0,1|0,0,1]=3 3444 B13R1.164 Cc1cc(ccc1SCC(C)O)O 62a_100011218427_100000690111 [0,1,0,0,0,1|1,0,1]=4 3445 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)O 62a_100009817552_100000690111 [0,1,0,0,0,1|1,0,1]=4 3446 B13R1.164 Cc1cc(cnc1SCC(=O)N)O 62a_100000747473_100012000486 [0,1,0,0,0,1|2,0,0]=4 3447 B13R1.164 Cc1cc(cnc1SCC(=O)N)O 62a_100012000486_100000747473 [0,1,0,0,0,1|2,0,0]=4 3448 B13R1.164 Cc1cc(cnc1SCC(=O)[O-])O 62a_100012000486_100020667443 [0,1,0,0,0,1|1,0,1]=4 3449 B13R1.164 Cc1cc(cnc1SCC(=O)[O-])O 62a_100020667443_100012000486 [0,1,0,0,0,1|1,0,1]=4 3450 B13R1.164 Cc1cc(ncc1SCC(=O)N)O 62a_100000747473_100000766222 [0,1,0,0,0,1|2,0,0]=4 3451 B13R1.164 Cc1cc(ncc1SCC(=O)N)O 62a_100000766222_100000747473 [0,1,0,0,0,1|2,0,0]=4 3452 B13R1.164 Cc1cc(ncc1SCC(=O)[O-])O 62a_100000766222_100020667443 [0,1,0,0,0,1|1,0,1]=4 3453 B13R1.164 Cc1cc(ncc1SCC(=O)[O-])O 62a_100020667443_100000766222 [0,1,0,0,0,1|1,0,1]=4 3454 B13R1.164 Cc1ccc(c(c1)Br)NCC(=O)N 34a_100000210942_100000187820 [0,1,0,0,0,1|2,0,0]=4 3455 B13R1.164 Cc1ccc(c(c1)Br)NCC(=O)[O-] 34a_100000210942_100020667443 [0,1,0,0,0,1|1,0,1]=4 3456 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)N 34a_100000210800_100000187820 [0,1,0,0,0,1|2,0,0]=4 3457 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)N 7a_100000210800_100000187820 [0,1,0,0,0,1|2,0,0]=4 3458 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)[13CH3] 1458a_100000186371_200025704644 [0,1,0,0,0,1|2,0,0]=4 3459 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)[O-] 34a_100000210800_100020667443 [0,1,0,0,0,1|1,0,1]=4 3460 B13R1.164 Cc1ccc(c(c1)Br)SCC(=O)N 62a_100000747473_100009813563 [0,1,0,0,0,1|2,0,0]=4 3461 B13R1.164 Cc1ccc(c(c1)Br)SCC(=O)N 62a_100009813563_100000747473 [0,1,0,0,0,1|2,0,0]=4 3462 B13R1.164 Cc1ccc(c(c1)Br)SCC(=O)[O-] 62a_100009813563_100020667443 [0,1,0,0,0,1|1,0,1]=4 3463 B13R1.164 Cc1ccc(c(c1)Br)SCC(=O)[O-] 62a_100020667443_100009813563 [0,1,0,0,0,1|1,0,1]=4 3464 B13R1.164 Cc1ccc(c(c1)C)CCC(=O)[13CH3] 1458a_100000239910_200025704644 [0,1,0,0,0,1|2,0,0]=4 3465 B13R1.164 Cc1ccc(c(c1)C)NCC(=O)N 34a_100000736561_100000187820 [0,1,0,0,0,1|2,0,0]=4 3466 B13R1.164 Cc1ccc(c(c1)C)NCC(=O)N 7a_100000736561_100000187820 [0,1,0,0,0,1|2,0,0]=4 3467 B13R1.164 Cc1ccc(c(c1)C)NCC(=O)[O-] 34a_100000736561_100020667443 [0,1,0,0,0,1|1,0,1]=4 3468 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)N 34a_100000211776_100000187820 [0,1,0,0,0,1|2,0,0]=4 3469 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)N 7a_100000211776_100000187820 [0,1,0,0,0,1|2,0,0]=4 3470 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)[13CH3] 1458a_200000185146_200025704644 [0,1,0,0,0,1|2,0,0]=4 3471 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)[O-] 34a_100000211776_100020667443 [0,1,0,0,0,1|1,0,1]=4 3472 B13R1.164 Cc1ccc(c(c1)C)SCC(=O)N 62a_100000747473_100011217332 [0,1,0,0,0,1|2,0,0]=4 3473 B13R1.164 Cc1ccc(c(c1)C)SCC(=O)N 62a_100011217332_100000747473 [0,1,0,0,0,1|2,0,0]=4 3474 B13R1.164 Cc1ccc(c(c1)C)SCC(=O)[O-] 62a_100011217332_100020667443 [0,1,0,0,0,1|1,0,1]=4 3475 B13R1.164 Cc1ccc(c(c1)C)SCC(=O)[O-] 62a_100020667443_100011217332 [0,1,0,0,0,1|1,0,1]=4 3476 B13R1.164 Cc1ccc(c(c1)Cl)NCC(=O)N 34a_100000210522_100000187820 [0,1,0,0,0,1|2,0,0]=4 3477 B13R1.164 Cc1ccc(c(c1)Cl)NCC(=O)[O-] 34a_100000210522_100020667443 [0,1,0,0,0,1|1,0,1]=4 3478 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)N 34a_100000749699_100000187820 [0,1,0,0,0,1|2,0,0]=4 3479 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)N 7a_100000749699_100000187820 [0,1,0,0,0,1|2,0,0]=4 3480 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)[13CH3] 1458a_200011725833_200025704644 [0,1,0,0,0,1|2,0,0]=4 3481 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)[O-] 34a_100000749699_100020667443 [0,1,0,0,0,1|1,0,1]=4 3482 B13R1.164 Cc1ccc(c(c1)Cl)SCC(=O)N 62a_100000747473_100011263221 [0,1,0,0,0,1|2,0,0]=4 3483 B13R1.164 Cc1ccc(c(c1)Cl)SCC(=O)N 62a_100011263221_100000747473 [0,1,0,0,0,1|2,0,0]=4 3484 B13R1.164 Cc1ccc(c(c1)Cl)SCC(=O)[O-] 62a_100011263221_100020667443 [0,1,0,0,0,1|1,0,1]=4 3485 B13R1.164 Cc1ccc(c(c1)Cl)SCC(=O)[O-] 62a_100020667443_100011263221 [0,1,0,0,0,1|1,0,1]=4 3486 B13R1.164 Cc1ccc(c(c1)F)CCC(=O)[13CH3] 1458a_100000061718_200025704644 [0,1,0,0,0,1|2,0,0]=4 3487 B13R1.164 Cc1ccc(c(c1)F)NCC(=O)N 34a_100000211023_100000187820 [0,1,0,0,0,1|2,0,0]=4 3488 B13R1.164 Cc1ccc(c(c1)F)NCC(=O)[O-] 34a_100000211023_100020667443 [0,1,0,0,0,1|1,0,1]=4 3489 B13R1.164 Cc1ccc(c(c1)F)OCC(=O)N 34a_100011216688_100000187820 [0,1,0,0,0,1|2,0,0]=4 3490 B13R1.164 Cc1ccc(c(c1)F)OCC(=O)N 7a_100011216688_100000187820 [0,1,0,0,0,1|2,0,0]=4 3491 B13R1.164 Cc1ccc(c(c1)F)OCC(=O)[O-] 34a_100011216688_100020667443 [0,1,0,0,0,1|1,0,1]=4 3492 B13R1.164 Cc1ccc(c(c1)F)SCC(=O)N 62a_100000747473_100011216119 [0,1,0,0,0,1|2,0,0]=4 3493 B13R1.164 Cc1ccc(c(c1)F)SCC(=O)N 62a_100011216119_100000747473 [0,1,0,0,0,1|2,0,0]=4 3494 B13R1.164 Cc1ccc(c(c1)F)SCC(=O)[O-] 62a_100011216119_100020667443 [0,1,0,0,0,1|1,0,1]=4 3495 B13R1.164 Cc1ccc(c(c1)F)SCC(=O)[O-] 62a_100020667443_100011216119 [0,1,0,0,0,1|1,0,1]=4 3496 B13R1.164 Cc1ccc(c(c1)I)NCC(=O)N 34a_100011356834_100000187820 [0,1,0,0,0,1|2,0,0]=4 3497 B13R1.164 Cc1ccc(c(c1)I)NCC(=O)[O-] 34a_100011356834_100020667443 [0,1,0,0,0,1|1,0,1]=4 3498 B13R1.164 Cc1ccc(c(c1)I)OCC(=O)N 34a_100000765521_100000187820 [0,1,0,0,0,1|2,0,0]=4 3499 B13R1.164 Cc1ccc(c(c1)I)OCC(=O)N 7a_100000765521_100000187820 [0,1,0,0,0,1|2,0,0]=4 3500 B13R1.164 Cc1ccc(c(c1)I)OCC(=O)[O-] 34a_100000765521_100020667443 [0,1,0,0,0,1|1,0,1]=4 3501 B13R1.164 Cc1ccc(c(c1)N)OCC(=O)N 34a_100011215204_100000187820 [0,1,0,0,0,1|2,0,0]=4 3502 B13R1.164 Cc1ccc(c(c1)N)OCC(=O)N 7a_100011215204_100000187820 [0,1,0,0,0,1|2,0,0]=4 3503 B13R1.164 Cc1ccc(c(c1)N)OCC(=O)[O-] 34a_100011215204_100020667443 [0,1,0,0,0,1|1,0,1]=4 3504 B13R1.164 Cc1ccc(c(c1)N)SCC(=O)N 62a_100000747473_100011216686 [0,1,0,0,0,1|2,0,0]=4 3505 B13R1.164 Cc1ccc(c(c1)N)SCC(=O)N 62a_100011216686_100000747473 [0,1,0,0,0,1|2,0,0]=4 3506 B13R1.164 Cc1ccc(c(c1)N)SCC(=O)[O-] 62a_100011216686_100020667443 [0,1,0,0,0,1|1,0,1]=4 3507 B13R1.164 Cc1ccc(c(c1)N)SCC(=O)[O-] 62a_100020667443_100011216686 [0,1,0,0,0,1|1,0,1]=4 3508 B13R1.164 Cc1ccc(c(c1)O)NCC(=O)N 34a_100000211527_100000187820 [0,1,0,0,0,1|2,0,0]=4 3509 B13R1.164 Cc1ccc(c(c1)O)NCC(=O)[O-] 34a_100000211527_100020667443 [0,1,0,0,0,1|1,0,1]=4 3510 B13R1.164 Cc1ccc(c(c1)O)OCC(=O)N 271570a_203496583355_200000148664 [0,1,0,0,0,1|2,0,0]=4 3511 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)N 62a_100000747473_100012002257 [0,1,0,0,0,1|2,0,0]=4 3512 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)N 62a_100012002257_100000747473 [0,1,0,0,0,1|2,0,0]=4 3513 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)[O-] 62a_100012002257_100020667443 [0,1,0,0,0,1|1,0,1]=4 3514 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)[O-] 62a_100020667443_100012002257 [0,1,0,0,0,1|1,0,1]=4 3515 B13R1.164 Cc1nc(ccc1SCC(=O)N)O 62a_100000691680_100000747473 [0,1,0,0,0,1|2,0,0]=4 3516 B13R1.164 Cc1nc(ccc1SCC(=O)N)O 62a_100000747473_100000691680 [0,1,0,0,0,1|2,0,0]=4 3517 B13R1.164 Cc1nc(ccc1SCC(=O)[O-])O 62a_100000691680_100020667443 [0,1,0,0,0,1|1,0,1]=4 3518 B13R1.164 Cc1nc(ccc1SCC(=O)[O-])O 62a_100020667443_100000691680 [0,1,0,0,0,1|1,0,1]=4 3519 B13R1.164 NC(=O)CNc1ccc(cc1Br)Br 34a_100000211012_100000187820 [0,1,0,0,0,1|2,0,0]=4 3520 B13R1.164 NC(=O)CNc1ccc(cc1Br)Cl 34a_100000752454_100000187820 [0,1,0,0,0,1|2,0,0]=4 3521 B13R1.164 NC(=O)CNc1ccc(cc1Br)F 34a_100000738039_100000187820 [0,1,0,0,0,1|2,0,0]=4 3522 B13R1.164 NC(=O)CNc1ccc(cc1Br)O 34a_100012001276_100000187820 [0,1,0,0,0,1|1,0,0]=3 3523 B13R1.164 NC(=O)CNc1ccc(cc1Cl)Br 34a_100000211467_100000187820 [0,1,0,0,0,1|2,0,0]=4 3524 B13R1.164 NC(=O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100000187820 [0,1,0,0,0,1|2,0,0]=4 3525 B13R1.164 NC(=O)CNc1ccc(cc1Cl)F 34a_100000212003_100000187820 [0,1,0,0,0,1|2,0,0]=4 3526 B13R1.164 NC(=O)CNc1ccc(cc1Cl)I 34a_100011218065_100000187820 [0,1,0,0,0,1|2,0,0]=4 3527 B13R1.164 NC(=O)CNc1ccc(cc1Cl)O 34a_100011215599_100000187820 [0,1,0,0,0,1|1,0,0]=3 3528 B13R1.164 NC(=O)CNc1ccc(cc1F)Br 34a_100000210722_100000187820 [0,1,0,0,0,1|2,0,0]=4 3529 B13R1.164 NC(=O)CNc1ccc(cc1F)Cl 34a_100000211020_100000187820 [0,1,0,0,0,1|2,0,0]=4 3530 B13R1.164 NC(=O)CNc1ccc(cc1F)F 34a_100000210720_100000187820 [0,1,0,0,0,1|2,0,0]=4 3531 B13R1.164 NC(=O)CNc1ccc(cc1F)I 34a_100011215594_100000187820 [0,1,0,0,0,1|2,0,0]=4 3532 B13R1.164 NC(=O)CNc1ccc(cc1F)O 34a_100000759473_100000187820 [0,1,0,0,0,1|1,0,0]=3 3533 B13R1.164 NC(=O)CNc1ccc(cc1I)Br 34a_100000187925_100000187820 [0,1,0,0,0,1|2,0,0]=4 3534 B13R1.164 NC(=O)CNc1ccc(cc1I)Cl 34a_100000761889_100000187820 [0,1,0,0,0,1|2,0,0]=4 3535 B13R1.164 NC(=O)CNc1ccc(cc1I)F 34a_100000760547_100000187820 [0,1,0,0,0,1|2,0,0]=4 3536 B13R1.164 NC(=O)CNc1ccc(cc1I)O 34a_100010084370_100000187820 [0,1,0,0,0,1|1,0,0]=3 3537 B13R1.164 NC(=O)CNc1ccc(cc1O)Br 34a_100000739049_100000187820 [0,1,0,0,0,1|2,0,0]=4 3538 B13R1.164 NC(=O)CNc1ccc(cc1O)Cl 34a_100000185728_100000187820 [0,1,0,0,0,1|2,0,0]=4 3539 B13R1.164 NC(=O)CNc1ccc(cc1O)F 34a_100000753323_100000187820 [0,1,0,0,0,1|2,0,0]=4 3540 B13R1.164 NC(=O)CNc1ccc(cc1O)O 34a_100000106777_100000187820 [0,1,0,0,0,1|1,0,0]=3 3541 B13R1.164 NC(=O)COc1ccc(cc1Br)Br 34a_100000188717_100000187820 [0,1,0,0,0,1|2,0,0]=4 3542 B13R1.164 NC(=O)COc1ccc(cc1Br)Br 7a_100000188717_100000187820 [0,1,0,0,0,1|2,0,0]=4 3543 B13R1.164 NC(=O)COc1ccc(cc1Br)Cl 34a_100000211998_100000187820 [0,1,0,0,0,1|2,0,0]=4 3544 B13R1.164 NC(=O)COc1ccc(cc1Br)Cl 7a_100000211998_100000187820 [0,1,0,0,0,1|2,0,0]=4 3545 B13R1.164 NC(=O)COc1ccc(cc1Br)F 34a_100000211999_100000187820 [0,1,0,0,0,1|2,0,0]=4 3546 B13R1.164 NC(=O)COc1ccc(cc1Br)F 7a_100000211999_100000187820 [0,1,0,0,0,1|2,0,0]=4 3547 B13R1.164 NC(=O)COc1ccc(cc1Br)I 34a_100012361655_100000187820 [0,1,0,0,0,1|2,0,0]=4 3548 B13R1.164 NC(=O)COc1ccc(cc1Br)I 7a_100012361655_100000187820 [0,1,0,0,0,1|2,0,0]=4 3549 B13R1.164 NC(=O)COc1ccc(cc1Br)N 34a_100011534360_100000187820 [0,1,0,0,0,1|2,0,0]=4 3550 B13R1.164 NC(=O)COc1ccc(cc1Br)N 7a_100011534360_100000187820 [0,1,0,0,0,1|2,0,0]=4 3551 B13R1.164 NC(=O)COc1ccc(cc1Cl)Br 34a_100000186472_100000187820 [0,1,0,0,0,1|2,0,0]=4 3552 B13R1.164 NC(=O)COc1ccc(cc1Cl)Br 7a_100000186472_100000187820 [0,1,0,0,0,1|2,0,0]=4 3553 B13R1.164 NC(=O)COc1ccc(cc1Cl)Cl 34a_100015191787_100000187820 [0,1,0,0,0,1|2,0,0]=4 3554 B13R1.164 NC(=O)COc1ccc(cc1Cl)Cl 7a_100015191787_100000187820 [0,1,0,0,0,1|2,0,0]=4 3555 B13R1.164 NC(=O)COc1ccc(cc1Cl)F 34a_100000212004_100000187820 [0,1,0,0,0,1|2,0,0]=4 3556 B13R1.164 NC(=O)COc1ccc(cc1Cl)F 7a_100000212004_100000187820 [0,1,0,0,0,1|2,0,0]=4 3557 B13R1.164 NC(=O)COc1ccc(cc1Cl)I 34a_100012360047_100000187820 [0,1,0,0,0,1|2,0,0]=4 3558 B13R1.164 NC(=O)COc1ccc(cc1Cl)I 7a_100012360047_100000187820 [0,1,0,0,0,1|2,0,0]=4 3559 B13R1.164 NC(=O)COc1ccc(cc1Cl)N 34a_100000744943_100000187820 [0,1,0,0,0,1|2,0,0]=4 3560 B13R1.164 NC(=O)COc1ccc(cc1Cl)N 7a_100000744943_100000187820 [0,1,0,0,0,1|2,0,0]=4 3561 B13R1.164 NC(=O)COc1ccc(cc1F)Br 34a_100000185481_100000187820 [0,1,0,0,0,1|2,0,0]=4 3562 B13R1.164 NC(=O)COc1ccc(cc1F)Br 7a_100000185481_100000187820 [0,1,0,0,0,1|2,0,0]=4 3563 B13R1.164 NC(=O)COc1ccc(cc1F)Cl 34a_100000230166_100000187820 [0,1,0,0,0,1|2,0,0]=4 3564 B13R1.164 NC(=O)COc1ccc(cc1F)Cl 7a_100000230166_100000187820 [0,1,0,0,0,1|2,0,0]=4 3565 B13R1.164 NC(=O)COc1ccc(cc1F)F 34a_100000230127_100000187820 [0,1,0,0,0,1|2,0,0]=4 3566 B13R1.164 NC(=O)COc1ccc(cc1F)F 7a_100000230127_100000187820 [0,1,0,0,0,1|2,0,0]=4 3567 B13R1.164 NC(=O)COc1ccc(cc1F)I 34a_100011356965_100000187820 [0,1,0,0,0,1|2,0,0]=4 3568 B13R1.164 NC(=O)COc1ccc(cc1F)I 7a_100011356965_100000187820 [0,1,0,0,0,1|2,0,0]=4 3569 B13R1.164 NC(=O)COc1ccc(cc1F)N 34a_100011220035_100000187820 [0,1,0,0,0,1|2,0,0]=4 3570 B13R1.164 NC(=O)COc1ccc(cc1F)N 7a_100011220035_100000187820 [0,1,0,0,0,1|2,0,0]=4 3571 B13R1.164 NC(=O)COc1ccc(cc1I)Br 34a_100012355227_100000187820 [0,1,0,0,0,1|2,0,0]=4 3572 B13R1.164 NC(=O)COc1ccc(cc1I)Br 7a_100012355227_100000187820 [0,1,0,0,0,1|2,0,0]=4 3573 B13R1.164 NC(=O)COc1ccc(cc1I)Cl 34a_100011356953_100000187820 [0,1,0,0,0,1|2,0,0]=4 3574 B13R1.164 NC(=O)COc1ccc(cc1I)Cl 7a_100011356953_100000187820 [0,1,0,0,0,1|2,0,0]=4 3575 B13R1.164 NC(=O)COc1ccc(cc1I)F 34a_100012355409_100000187820 [0,1,0,0,0,1|2,0,0]=4 3576 B13R1.164 NC(=O)COc1ccc(cc1I)F 7a_100012355409_100000187820 [0,1,0,0,0,1|2,0,0]=4 3577 B13R1.164 NC(=O)COc1ccc(cc1I)I 7a_100010001573_100000187820 [0,1,0,0,0,1|2,0,0]=4 3578 B13R1.164 NC(=O)COc1ccc(cc1N)Br 34a_100000752626_100000187820 [0,1,0,0,0,1|2,0,0]=4 3579 B13R1.164 NC(=O)COc1ccc(cc1N)Br 7a_100000752626_100000187820 [0,1,0,0,0,1|2,0,0]=4 3580 B13R1.164 NC(=O)COc1ccc(cc1N)Cl 34a_100000210500_100000187820 [0,1,0,0,0,1|2,0,0]=4 3581 B13R1.164 NC(=O)COc1ccc(cc1N)Cl 7a_100000210500_100000187820 [0,1,0,0,0,1|2,0,0]=4 3582 B13R1.164 NC(=O)COc1ccc(cc1N)F 34a_100000759472_100000187820 [0,1,0,0,0,1|2,0,0]=4 3583 B13R1.164 NC(=O)COc1ccc(cc1N)F 7a_100000759472_100000187820 [0,1,0,0,0,1|2,0,0]=4 3584 B13R1.164 NC(=O)COc1ccc(cc1N)I 34a_100000753495_100000187820 [0,1,0,0,0,1|2,0,0]=4 3585 B13R1.164 NC(=O)COc1ccc(cc1N)I 7a_100000753495_100000187820 [0,1,0,0,0,1|2,0,0]=4 3586 B13R1.164 NC(=O)COc1ccc(cc1N)N 34a_100000725306_100000187820 [0,1,0,0,0,1|2,0,0]=4 3587 B13R1.164 NC(=O)CSc1ccc(cc1Br)Br 62a_100000747473_100011484698 [0,1,0,0,0,1|2,0,0]=4 3588 B13R1.164 NC(=O)CSc1ccc(cc1Br)Br 62a_100011484698_100000747473 [0,1,0,0,0,1|2,0,0]=4 3589 B13R1.164 NC(=O)CSc1ccc(cc1Br)Cl 62a_100000747473_100011219703 [0,1,0,0,0,1|2,0,0]=4 3590 B13R1.164 NC(=O)CSc1ccc(cc1Br)Cl 62a_100011219703_100000747473 [0,1,0,0,0,1|2,0,0]=4 3591 B13R1.164 NC(=O)CSc1ccc(cc1Br)F 62a_100000747473_100011217111 [0,1,0,0,0,1|2,0,0]=4 3592 B13R1.164 NC(=O)CSc1ccc(cc1Br)F 62a_100011217111_100000747473 [0,1,0,0,0,1|2,0,0]=4 3593 B13R1.164 NC(=O)CSc1ccc(cc1Br)N 62a_100000747473_100000750458 [0,1,0,0,0,1|2,0,0]=4 3594 B13R1.164 NC(=O)CSc1ccc(cc1Br)N 62a_100000750458_100000747473 [0,1,0,0,0,1|2,0,0]=4 3595 B13R1.164 NC(=O)CSc1ccc(cc1Br)O 62a_100000701344_100000747473 [0,1,0,0,0,1|1,0,0]=3 3596 B13R1.164 NC(=O)CSc1ccc(cc1Br)O 62a_100000747473_100000701344 [0,1,0,0,0,1|1,0,0]=3 3597 B13R1.164 NC(=O)CSc1ccc(cc1Cl)Br 62a_100000747473_100011216062 [0,1,0,0,0,1|2,0,0]=4 3598 B13R1.164 NC(=O)CSc1ccc(cc1Cl)Br 62a_100011216062_100000747473 [0,1,0,0,0,1|2,0,0]=4 3599 B13R1.164 NC(=O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100000747473 [0,1,0,0,0,1|2,0,0]=4 3600 B13R1.164 NC(=O)CSc1ccc(cc1Cl)Cl 62a_100000747473_100000699841 [0,1,0,0,0,1|2,0,0]=4 3601 B13R1.164 NC(=O)CSc1ccc(cc1Cl)F 62a_100000733362_100000747473 [0,1,0,0,0,1|2,0,0]=4 3602 B13R1.164 NC(=O)CSc1ccc(cc1Cl)F 62a_100000747473_100000733362 [0,1,0,0,0,1|2,0,0]=4 3603 B13R1.164 NC(=O)CSc1ccc(cc1Cl)N 62a_100000747473_100000761885 [0,1,0,0,0,1|2,0,0]=4 3604 B13R1.164 NC(=O)CSc1ccc(cc1Cl)N 62a_100000761885_100000747473 [0,1,0,0,0,1|2,0,0]=4 3605 B13R1.164 NC(=O)CSc1ccc(cc1Cl)O 62a_100000047559_100000747473 [0,1,0,0,0,1|1,0,0]=3 3606 B13R1.164 NC(=O)CSc1ccc(cc1Cl)O 62a_100000747473_100000047559 [0,1,0,0,0,1|1,0,0]=3 3607 B13R1.164 NC(=O)CSc1ccc(cc1F)Br 62a_100000747473_100009814013 [0,1,0,0,0,1|2,0,0]=4 3608 B13R1.164 NC(=O)CSc1ccc(cc1F)Br 62a_100009814013_100000747473 [0,1,0,0,0,1|2,0,0]=4 3609 B13R1.164 NC(=O)CSc1ccc(cc1F)Cl 62a_100000747473_100011216042 [0,1,0,0,0,1|2,0,0]=4 3610 B13R1.164 NC(=O)CSc1ccc(cc1F)Cl 62a_100011216042_100000747473 [0,1,0,0,0,1|2,0,0]=4 3611 B13R1.164 NC(=O)CSc1ccc(cc1F)F 62a_100000747473_100000750030 [0,1,0,0,0,1|2,0,0]=4 3612 B13R1.164 NC(=O)CSc1ccc(cc1F)F 62a_100000750030_100000747473 [0,1,0,0,0,1|2,0,0]=4 3613 B13R1.164 NC(=O)CSc1ccc(cc1F)N 62a_100000747473_100011356925 [0,1,0,0,0,1|2,0,0]=4 3614 B13R1.164 NC(=O)CSc1ccc(cc1F)N 62a_100011356925_100000747473 [0,1,0,0,0,1|2,0,0]=4 3615 B13R1.164 NC(=O)CSc1ccc(cc1F)O 62a_100000747473_100000755031 [0,1,0,0,0,1|1,0,0]=3 3616 B13R1.164 NC(=O)CSc1ccc(cc1F)O 62a_100000755031_100000747473 [0,1,0,0,0,1|1,0,0]=3 3617 B13R1.164 NC(=O)CSc1ccc(cc1N)Br 62a_100000743836_100000747473 [0,1,0,0,0,1|2,0,0]=4 3618 B13R1.164 NC(=O)CSc1ccc(cc1N)Br 62a_100000747473_100000743836 [0,1,0,0,0,1|2,0,0]=4 3619 B13R1.164 NC(=O)CSc1ccc(cc1N)Cl 62a_100000747473_100000761886 [0,1,0,0,0,1|2,0,0]=4 3620 B13R1.164 NC(=O)CSc1ccc(cc1N)Cl 62a_100000761886_100000747473 [0,1,0,0,0,1|2,0,0]=4 3621 B13R1.164 NC(=O)CSc1ccc(cc1N)F 62a_100000687223_100000747473 [0,1,0,0,0,1|2,0,0]=4 3622 B13R1.164 NC(=O)CSc1ccc(cc1N)F 62a_100000747473_100000687223 [0,1,0,0,0,1|2,0,0]=4 3623 B13R1.164 NC(=O)CSc1ccc(cc1N)N 62a_100000747473_200012175722 [0,1,0,0,0,1|2,0,0]=4 3624 B13R1.164 NC(=O)CSc1ccc(cc1N)N 62a_200012175722_100000747473 [0,1,0,0,0,1|2,0,0]=4 3625 B13R1.164 NC(=O)CSc1ccc(cc1N)O 62a_100000747473_100011999798 [0,1,0,0,0,1|1,0,0]=3 3626 B13R1.164 NC(=O)CSc1ccc(cc1N)O 62a_100011999798_100000747473 [0,1,0,0,0,1|1,0,0]=3 3627 B13R1.164 NC(=O)CSc1ccc(cc1O)Br 62a_100000747473_100012344904 [0,1,0,0,0,1|2,0,0]=4 3628 B13R1.164 NC(=O)CSc1ccc(cc1O)Br 62a_100012344904_100000747473 [0,1,0,0,0,1|2,0,0]=4 3629 B13R1.164 NC(=O)CSc1ccc(cc1O)Cl 62a_100000050036_100000747473 [0,1,0,0,0,1|2,0,0]=4 3630 B13R1.164 NC(=O)CSc1ccc(cc1O)Cl 62a_100000747473_100000050036 [0,1,0,0,0,1|2,0,0]=4 3631 B13R1.164 NC(=O)CSc1ccc(cc1O)F 62a_100000690578_100000747473 [0,1,0,0,0,1|2,0,0]=4 3632 B13R1.164 NC(=O)CSc1ccc(cc1O)F 62a_100000747473_100000690578 [0,1,0,0,0,1|2,0,0]=4 3633 B13R1.164 NC(=O)CSc1ccc(cc1O)O 62a_100000747473_100009813921 [0,1,0,0,0,1|1,0,0]=3 3634 B13R1.164 NC(=O)CSc1ccc(nc1F)O 62a_100000747473_100009879308 [0,1,0,0,0,1|2,0,0]=4 3635 B13R1.164 NC(=O)CSc1ccc(nc1F)O 62a_100009879308_100000747473 [0,1,0,0,0,1|2,0,0]=4 3636 B13R1.164 NC(=O)CSc1ncc(cc1F)O 62a_100000747473_100000063512 [0,1,0,0,0,1|2,0,0]=4 3637 B13R1.164 Nc1cc(ccc1OCC(=O)[O-])Br 34a_100000752626_100020667443 [0,1,0,0,0,1|1,0,1]=4 3638 B13R1.164 Nc1cc(ccc1OCC(=O)[O-])Cl 34a_100000210500_100020667443 [0,1,0,0,0,1|1,0,1]=4 3639 B13R1.164 Nc1cc(ccc1OCC(=O)[O-])F 34a_100000759472_100020667443 [0,1,0,0,0,1|1,0,1]=4 3640 B13R1.164 Nc1cc(ccc1OCC(=O)[O-])I 34a_100000753495_100020667443 [0,1,0,0,0,1|1,0,1]=4 3641 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])Br 62a_100000743836_100020667443 [0,1,0,0,0,1|1,0,1]=4 3642 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])Br 62a_100020667443_100000743836 [0,1,0,0,0,1|1,0,1]=4 3643 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])Cl 62a_100000761886_100020667443 [0,1,0,0,0,1|1,0,1]=4 3644 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])Cl 62a_100020667443_100000761886 [0,1,0,0,0,1|1,0,1]=4 3645 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])F 62a_100000687223_100020667443 [0,1,0,0,0,1|1,0,1]=4 3646 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])F 62a_100020667443_100000687223 [0,1,0,0,0,1|1,0,1]=4 3647 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])O 62a_100011999798_100020667443 [0,1,0,0,0,1|0,0,1]=3 3648 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])O 62a_100020667443_100011999798 [0,1,0,0,0,1|0,0,1]=3 3649 B13R1.164 Nc1cc(ccc1SC[N+](=O)[O-])O 62a_100011999798_100000761209 [0,1,0,0,0,1|1,0,1]=4 3650 B13R1.164 Nc1ccc(c(c1)Br)OCC(=O)[O-] 34a_100011534360_100020667443 [0,1,0,0,0,1|1,0,1]=4 3651 B13R1.164 Nc1ccc(c(c1)Br)SCC(=O)[O-] 62a_100000750458_100020667443 [0,1,0,0,0,1|1,0,1]=4 3652 B13R1.164 Nc1ccc(c(c1)Br)SCC(=O)[O-] 62a_100020667443_100000750458 [0,1,0,0,0,1|1,0,1]=4 3653 B13R1.164 Nc1ccc(c(c1)Cl)OCC(=O)[O-] 34a_100000744943_100020667443 [0,1,0,0,0,1|1,0,1]=4 3654 B13R1.164 Nc1ccc(c(c1)Cl)SCC(=O)[O-] 62a_100000761885_100020667443 [0,1,0,0,0,1|1,0,1]=4 3655 B13R1.164 Nc1ccc(c(c1)Cl)SCC(=O)[O-] 62a_100020667443_100000761885 [0,1,0,0,0,1|1,0,1]=4 3656 B13R1.164 Nc1ccc(c(c1)F)OCC(=O)[O-] 34a_100011220035_100020667443 [0,1,0,0,0,1|1,0,1]=4 3657 B13R1.164 Nc1ccc(c(c1)F)SCC(=O)[O-] 62a_100011356925_100020667443 [0,1,0,0,0,1|1,0,1]=4 3658 B13R1.164 Nc1ccc(c(c1)F)SCC(=O)[O-] 62a_100020667443_100011356925 [0,1,0,0,0,1|1,0,1]=4 3659 B13R1.164 Nc1ccc(c(c1)N)OCC(=O)[O-] 34a_100000725306_100020667443 [0,1,0,0,0,1|1,0,1]=4 3660 B13R1.164 Nc1ccc(c(c1)N)SCC(=O)[O-] 62a_100020667443_200012175722 [0,1,0,0,0,1|1,0,1]=4 3661 B13R1.164 Nc1ccc(c(c1)N)SCC(=O)[O-] 62a_200012175722_100020667443 [0,1,0,0,0,1|1,0,1]=4 3662 B13R1.164 O=C([O-])CNc1ccc(cc1Br)Br 34a_100000211012_100020667443 [0,1,0,0,0,1|1,0,1]=4 3663 B13R1.164 O=C([O-])CNc1ccc(cc1Br)Cl 34a_100000752454_100020667443 [0,1,0,0,0,1|1,0,1]=4 3664 B13R1.164 O=C([O-])CNc1ccc(cc1Br)F 34a_100000738039_100020667443 [0,1,0,0,0,1|1,0,1]=4 3665 B13R1.164 O=C([O-])CNc1ccc(cc1Br)O 34a_100012001276_100020667443 [0,1,0,0,0,1|0,0,1]=3 3666 B13R1.164 O=C([O-])CNc1ccc(cc1Cl)Br 34a_100000211467_100020667443 [0,1,0,0,0,1|1,0,1]=4 3667 B13R1.164 O=C([O-])CNc1ccc(cc1Cl)Cl 34a_100000185861_100020667443 [0,1,0,0,0,1|1,0,1]=4 3668 B13R1.164 O=C([O-])CNc1ccc(cc1Cl)F 34a_100000212003_100020667443 [0,1,0,0,0,1|1,0,1]=4 3669 B13R1.164 O=C([O-])CNc1ccc(cc1Cl)I 34a_100011218065_100020667443 [0,1,0,0,0,1|1,0,1]=4 3670 B13R1.164 O=C([O-])CNc1ccc(cc1Cl)O 34a_100011215599_100020667443 [0,1,0,0,0,1|0,0,1]=3 3671 B13R1.164 O=C([O-])CNc1ccc(cc1F)Br 34a_100000210722_100020667443 [0,1,0,0,0,1|1,0,1]=4 3672 B13R1.164 O=C([O-])CNc1ccc(cc1F)Cl 34a_100000211020_100020667443 [0,1,0,0,0,1|1,0,1]=4 3673 B13R1.164 O=C([O-])CNc1ccc(cc1F)F 34a_100000210720_100020667443 [0,1,0,0,0,1|1,0,1]=4 3674 B13R1.164 O=C([O-])CNc1ccc(cc1F)I 34a_100011215594_100020667443 [0,1,0,0,0,1|1,0,1]=4 3675 B13R1.164 O=C([O-])CNc1ccc(cc1F)O 34a_100000759473_100020667443 [0,1,0,0,0,1|0,0,1]=3 3676 B13R1.164 O=C([O-])CNc1ccc(cc1I)Br 34a_100000187925_100020667443 [0,1,0,0,0,1|1,0,1]=4 3677 B13R1.164 O=C([O-])CNc1ccc(cc1I)Cl 34a_100000761889_100020667443 [0,1,0,0,0,1|1,0,1]=4 3678 B13R1.164 O=C([O-])CNc1ccc(cc1I)F 34a_100000760547_100020667443 [0,1,0,0,0,1|1,0,1]=4 3679 B13R1.164 O=C([O-])CNc1ccc(cc1I)O 34a_100010084370_100020667443 [0,1,0,0,0,1|0,0,1]=3 3680 B13R1.164 O=C([O-])CNc1ccc(cc1O)Br 34a_100000739049_100020667443 [0,1,0,0,0,1|1,0,1]=4 3681 B13R1.164 O=C([O-])CNc1ccc(cc1O)Cl 34a_100000185728_100020667443 [0,1,0,0,0,1|1,0,1]=4 3682 B13R1.164 O=C([O-])CNc1ccc(cc1O)F 34a_100000753323_100020667443 [0,1,0,0,0,1|1,0,1]=4 3683 B13R1.164 O=C([O-])CNc1ccc(cc1O)O 34a_100000106777_100020667443 [0,1,0,0,0,1|0,0,1]=3 3684 B13R1.164 O=C([O-])COc1ccc(cc1Br)Br 34a_100000188717_100020667443 [0,1,0,0,0,1|1,0,1]=4 3685 B13R1.164 O=C([O-])COc1ccc(cc1Br)Cl 34a_100000211998_100020667443 [0,1,0,0,0,1|1,0,1]=4 3686 B13R1.164 O=C([O-])COc1ccc(cc1Br)F 34a_100000211999_100020667443 [0,1,0,0,0,1|1,0,1]=4 3687 B13R1.164 O=C([O-])COc1ccc(cc1Br)I 34a_100012361655_100020667443 [0,1,0,0,0,1|1,0,1]=4 3688 B13R1.164 O=C([O-])COc1ccc(cc1Cl)Br 34a_100000186472_100020667443 [0,1,0,0,0,1|1,0,1]=4 3689 B13R1.164 O=C([O-])COc1ccc(cc1Cl)Cl 34a_100015191787_100020667443 [0,1,0,0,0,1|1,0,1]=4 3690 B13R1.164 O=C([O-])COc1ccc(cc1Cl)F 34a_100000212004_100020667443 [0,1,0,0,0,1|1,0,1]=4 3691 B13R1.164 O=C([O-])COc1ccc(cc1Cl)I 34a_100012360047_100020667443 [0,1,0,0,0,1|1,0,1]=4 3692 B13R1.164 O=C([O-])COc1ccc(cc1F)Br 34a_100000185481_100020667443 [0,1,0,0,0,1|1,0,1]=4 3693 B13R1.164 O=C([O-])COc1ccc(cc1F)Cl 34a_100000230166_100020667443 [0,1,0,0,0,1|1,0,1]=4 3694 B13R1.164 O=C([O-])COc1ccc(cc1F)F 34a_100000230127_100020667443 [0,1,0,0,0,1|1,0,1]=4 3695 B13R1.164 O=C([O-])COc1ccc(cc1F)I 34a_100011356965_100020667443 [0,1,0,0,0,1|1,0,1]=4 3696 B13R1.164 O=C([O-])COc1ccc(cc1I)Br 34a_100012355227_100020667443 [0,1,0,0,0,1|1,0,1]=4 3697 B13R1.164 O=C([O-])COc1ccc(cc1I)Cl 34a_100011356953_100020667443 [0,1,0,0,0,1|1,0,1]=4 3698 B13R1.164 O=C([O-])COc1ccc(cc1I)F 34a_100012355409_100020667443 [0,1,0,0,0,1|1,0,1]=4 3699 B13R1.164 O=C([O-])CSc1ccc(cc1Br)Br 62a_100011484698_100020667443 [0,1,0,0,0,1|1,0,1]=4 3700 B13R1.164 O=C([O-])CSc1ccc(cc1Br)Br 62a_100020667443_100011484698 [0,1,0,0,0,1|1,0,1]=4 3701 B13R1.164 O=C([O-])CSc1ccc(cc1Br)Cl 62a_100011219703_100020667443 [0,1,0,0,0,1|1,0,1]=4 3702 B13R1.164 O=C([O-])CSc1ccc(cc1Br)Cl 62a_100020667443_100011219703 [0,1,0,0,0,1|1,0,1]=4 3703 B13R1.164 O=C([O-])CSc1ccc(cc1Br)F 62a_100011217111_100020667443 [0,1,0,0,0,1|1,0,1]=4 3704 B13R1.164 O=C([O-])CSc1ccc(cc1Br)F 62a_100020667443_100011217111 [0,1,0,0,0,1|1,0,1]=4 3705 B13R1.164 O=C([O-])CSc1ccc(cc1Br)O 62a_100000701344_100020667443 [0,1,0,0,0,1|0,0,1]=3 3706 B13R1.164 O=C([O-])CSc1ccc(cc1Br)O 62a_100020667443_100000701344 [0,1,0,0,0,1|0,0,1]=3 3707 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)Br 62a_100011216062_100020667443 [0,1,0,0,0,1|1,0,1]=4 3708 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)Br 62a_100020667443_100011216062 [0,1,0,0,0,1|1,0,1]=4 3709 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)Cl 62a_100000699841_100020667443 [0,1,0,0,0,1|1,0,1]=4 3710 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)Cl 62a_100020667443_100000699841 [0,1,0,0,0,1|1,0,1]=4 3711 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)F 62a_100000733362_100020667443 [0,1,0,0,0,1|1,0,1]=4 3712 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)F 62a_100020667443_100000733362 [0,1,0,0,0,1|1,0,1]=4 3713 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)O 62a_100000047559_100020667443 [0,1,0,0,0,1|0,0,1]=3 3714 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)O 62a_100020667443_100000047559 [0,1,0,0,0,1|0,0,1]=3 3715 B13R1.164 O=C([O-])CSc1ccc(cc1F)Br 62a_100009814013_100020667443 [0,1,0,0,0,1|1,0,1]=4 3716 B13R1.164 O=C([O-])CSc1ccc(cc1F)Br 62a_100020667443_100009814013 [0,1,0,0,0,1|1,0,1]=4 3717 B13R1.164 O=C([O-])CSc1ccc(cc1F)Cl 62a_100011216042_100020667443 [0,1,0,0,0,1|1,0,1]=4 3718 B13R1.164 O=C([O-])CSc1ccc(cc1F)Cl 62a_100020667443_100011216042 [0,1,0,0,0,1|1,0,1]=4 3719 B13R1.164 O=C([O-])CSc1ccc(cc1F)F 62a_100000750030_100020667443 [0,1,0,0,0,1|1,0,1]=4 3720 B13R1.164 O=C([O-])CSc1ccc(cc1F)F 62a_100020667443_100000750030 [0,1,0,0,0,1|1,0,1]=4 3721 B13R1.164 O=C([O-])CSc1ccc(cc1F)O 62a_100000755031_100020667443 [0,1,0,0,0,1|0,0,1]=3 3722 B13R1.164 O=C([O-])CSc1ccc(cc1F)O 62a_100020667443_100000755031 [0,1,0,0,0,1|0,0,1]=3 3723 B13R1.164 O=C([O-])CSc1ccc(cc1O)Br 62a_100012344904_100020667443 [0,1,0,0,0,1|1,0,1]=4 3724 B13R1.164 O=C([O-])CSc1ccc(cc1O)Br 62a_100020667443_100012344904 [0,1,0,0,0,1|1,0,1]=4 3725 B13R1.164 O=C([O-])CSc1ccc(cc1O)Cl 62a_100000050036_100020667443 [0,1,0,0,0,1|1,0,1]=4 3726 B13R1.164 O=C([O-])CSc1ccc(cc1O)Cl 62a_100020667443_100000050036 [0,1,0,0,0,1|1,0,1]=4 3727 B13R1.164 O=C([O-])CSc1ccc(cc1O)F 62a_100000690578_100020667443 [0,1,0,0,0,1|1,0,1]=4 3728 B13R1.164 O=C([O-])CSc1ccc(cc1O)F 62a_100020667443_100000690578 [0,1,0,0,0,1|1,0,1]=4 3729 B13R1.164 O=C([O-])CSc1ccc(cc1O)O 62a_100020667443_100009813921 [0,1,0,0,0,1|0,0,1]=3 3730 B13R1.164 O=C([O-])CSc1ccc(nc1F)O 62a_100009879308_100020667443 [0,1,0,0,0,1|1,0,1]=4 3731 B13R1.164 O=C([O-])CSc1ccc(nc1F)O 62a_100020667443_100009879308 [0,1,0,0,0,1|1,0,1]=4 3732 B13R1.164 O=C([O-])CSc1ncc(cc1F)O 62a_100020667443_100000063512 [0,1,0,0,0,1|1,0,1]=4 3733 B13R1.164 O=[N+]([O-])CNc1ccc(cc1Br)O 34a_100012001276_100000761209 [0,1,0,0,0,1|1,0,1]=4 3734 B13R1.164 O=[N+]([O-])CNc1ccc(cc1Cl)O 34a_100011215599_100000761209 [0,1,0,0,0,1|1,0,1]=4 3735 B13R1.164 O=[N+]([O-])CNc1ccc(cc1F)O 34a_100000759473_100000761209 [0,1,0,0,0,1|1,0,1]=4 3736 B13R1.164 O=[N+]([O-])CNc1ccc(cc1I)O 34a_100010084370_100000761209 [0,1,0,0,0,1|1,0,1]=4 3737 B13R1.164 O=[N+]([O-])CNc1ccc(cc1O)O 34a_100000106777_100000761209 [0,1,0,0,0,1|1,0,1]=4 3738 B13R1.164 O=[N+]([O-])CSc1ccc(cc1Br)O 62a_100000701344_100000761209 [0,1,0,0,0,1|1,0,1]=4 3739 B13R1.164 O=[N+]([O-])CSc1ccc(cc1Cl)O 62a_100000047559_100000761209 [0,1,0,0,0,1|1,0,1]=4 3740 B13R1.164 O=[N+]([O-])CSc1ccc(cc1F)O 62a_100000755031_100000761209 [0,1,0,0,0,1|1,0,1]=4 3741 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Br)F 1458a_100011308366_200025704644 [0,1,0,0,0,1|2,0,0]=4 3742 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Cl)Br 1458a_100012349522_200025704644 [0,1,0,0,0,1|2,0,0]=4 3743 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Cl)Cl 1458a_100000736762_200025704644 [0,1,0,0,0,1|2,0,0]=4 3744 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Cl)F 1458a_100011308368_200025704644 [0,1,0,0,0,1|2,0,0]=4 3745 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1F)Br 1458a_100000747174_200025704644 [0,1,0,0,0,1|2,0,0]=4 3746 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1F)Cl 1458a_100012351355_200025704644 [0,1,0,0,0,1|2,0,0]=4 3747 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1F)F 1458a_100000691965_200025704644 [0,1,0,0,0,1|2,0,0]=4 3748 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1O)O 1458a_100000041388_200025704644 [0,1,0,0,0,1|1,0,0]=3 3749 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Br)Br 1458a_200000181479_200025704644 [0,1,0,0,0,1|2,0,0]=4 3750 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Br)Cl 1458a_100000184090_200025704644 [0,1,0,0,0,1|2,0,0]=4 3751 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Br)F 1458a_100000184067_200025704644 [0,1,0,0,0,1|2,0,0]=4 3752 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)Br 1458a_100000185252_200025704644 [0,1,0,0,0,1|2,0,0]=4 3753 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)Cl 1458a_100102647096_200025704644 [0,1,0,0,0,1|2,0,0]=4 3754 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)F 1458a_100000191239_200025704644 [0,1,0,0,0,1|2,0,0]=4 3755 B13R1.164 [13CH3]C(=O)COc1ccc(cc1F)Br 1458a_100000184069_200025704644 [0,1,0,0,0,1|2,0,0]=4 3756 B13R1.164 [13CH3]C(=O)COc1ccc(cc1F)Cl 1458a_100012771990_200025704644 [0,1,0,0,0,1|2,0,0]=4 3757 B13R1.164 [13CH3]C(=O)COc1ccc(cc1F)F 1458a_100000737261_200025704644 [0,1,0,0,0,1|2,0,0]=4 3758 B13R1.164 [13CH3]C(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200025704644 [0,1,0,0,0,1|2,0,0]=4 3759 B13R1.511 C=C(C)CNc1ccc(c(c1)Br)O 34a_100011534360_100000748629 [0,1,0,0,0,1|2,0,0]=4 3760 B13R1.511 C=C(C)CNc1ccc(c(c1)C)O 34a_100011218179_100000748629 [0,1,0,0,0,1|2,0,0]=4 3761 B13R1.511 C=C(C)CNc1ccc(c(c1)C)O 7a_100011218179_100000748629 [0,1,0,0,0,1|2,0,0]=4 3762 B13R1.511 C=C(C)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000748629 [0,1,0,0,0,1|2,0,0]=4 3763 B13R1.511 C=C(C)CNc1ccc(c(c1)F)O 34a_100011220035_100000748629 [0,1,0,0,0,1|2,0,0]=4 3764 B13R1.511 C=C(C)CNc1ccc(c(c1)F)O 7a_100011220035_100000748629 [0,1,0,0,0,1|2,0,0]=4 3765 B13R1.511 C=C(C)CNc1ccc(c(c1)O)O 34a_100102946323_100000748629 [0,1,0,0,0,1|2,0,0]=4 3766 B13R1.511 C=C(C)CSc1ccc(c(c1)Br)O 62a_100000748629_100012361655 [0,1,0,0,0,1|2,0,0]=4 3767 B13R1.511 C=C(C)CSc1ccc(c(c1)Br)O 62a_100012361655_100000211660 [0,1,0,0,0,1|2,0,0]=4 3768 B13R1.511 C=C(C)CSc1ccc(c(c1)C)O 62a_100000748629_100000186361 [0,1,0,0,0,1|2,0,0]=4 3769 B13R1.511 C=C(C)CSc1ccc(c(c1)Cl)O 62a_100000748629_100012360047 [0,1,0,0,0,1|2,0,0]=4 3770 B13R1.511 C=C(C)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000211660 [0,1,0,0,0,1|2,0,0]=4 3771 B13R1.511 C=C(C)CSc1ccc(c(c1)F)O 62a_100000185481_100000211660 [0,1,0,0,0,1|2,0,0]=4 3772 B13R1.511 C=C(C)CSc1ccc(c(c1)F)O 62a_100000748629_100000185481 [0,1,0,0,0,1|2,0,0]=4 3773 B13R1.511 C=C(C)CSc1ccc(c(c1)N)O 62a_100000748629_100000752626 [0,1,0,0,0,1|2,0,0]=4 3774 B13R1.511 C=C(C)CSc1ccc(c(c1)N)O 62a_100000752626_100000211660 [0,1,0,0,0,1|2,0,0]=4 3775 B13R1.511 C=C(C)CSc1ccc(c(c1)O)O 62a_100000748629_100009813601 [0,1,0,0,0,1|2,0,0]=4 3776 B13R1.511 C=C(F)CNc1ccc(c(c1)Br)O 34a_100011534360_100009893438 [0,1,0,0,0,1|2,0,0]=4 3777 B13R1.511 C=C(F)CNc1ccc(c(c1)C)O 34a_100011218179_100009893438 [0,1,0,0,0,1|2,0,0]=4 3778 B13R1.511 C=C(F)CNc1ccc(c(c1)C)O 7a_100011218179_100000042424 [0,1,0,0,0,1|2,0,0]=4 3779 B13R1.511 C=C(F)CNc1ccc(c(c1)Cl)O 34a_100000744943_100009893438 [0,1,0,0,0,1|2,0,0]=4 3780 B13R1.511 C=C(F)CNc1ccc(c(c1)F)O 34a_100011220035_100009893438 [0,1,0,0,0,1|2,0,0]=4 3781 B13R1.511 C=C(F)CNc1ccc(c(c1)F)O 7a_100011220035_100000042424 [0,1,0,0,0,1|2,0,0]=4 3782 B13R1.511 C=C(F)CNc1ccc(c(c1)O)O 34a_100102946323_100009893438 [0,1,0,0,0,1|2,0,0]=4 3783 B13R1.511 C=C(F)CSc1ccc(c(c1)Br)O 62a_100000042424_100012361655 [0,1,0,0,0,1|2,0,0]=4 3784 B13R1.511 C=C(F)CSc1ccc(c(c1)Br)O 62a_100012361655_100000042424 [0,1,0,0,0,1|2,0,0]=4 3785 B13R1.511 C=C(F)CSc1ccc(c(c1)C)O 62a_100000042424_100000186361 [0,1,0,0,0,1|2,0,0]=4 3786 B13R1.511 C=C(F)CSc1ccc(c(c1)Cl)O 62a_100000042424_100012360047 [0,1,0,0,0,1|2,0,0]=4 3787 B13R1.511 C=C(F)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000042424 [0,1,0,0,0,1|2,0,0]=4 3788 B13R1.511 C=C(F)CSc1ccc(c(c1)F)O 62a_100000042424_100000185481 [0,1,0,0,0,1|2,0,0]=4 3789 B13R1.511 C=C(F)CSc1ccc(c(c1)F)O 62a_100000185481_100000042424 [0,1,0,0,0,1|2,0,0]=4 3790 B13R1.511 C=C(F)CSc1ccc(c(c1)N)O 62a_100000042424_100000752626 [0,1,0,0,0,1|2,0,0]=4 3791 B13R1.511 C=C(F)CSc1ccc(c(c1)N)O 62a_100000752626_100000042424 [0,1,0,0,0,1|2,0,0]=4 3792 B13R1.511 C=C(F)CSc1ccc(c(c1)O)O 62a_100000042424_100009813601 [0,1,0,0,0,1|2,0,0]=4 3793 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200000210301 [0,1,0,0,0,1|1,0,1]=4 3794 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200000210301 [0,1,0,0,0,1|1,0,1]=4 3795 B13R1.511 CC(=O)CCc1ccc(c(c1)Br)C 1458a_100010220830_200000210301 [0,1,0,0,0,1|2,0,0]=4 3796 B13R1.511 CC(=O)CCc1ccc(c(c1)Br)F 1458a_100011308364_200000210301 [0,1,0,0,0,1|2,0,0]=4 3797 B13R1.511 CC(=O)CCc1ccc(c(c1)C)C 1458a_100011338283_200000210301 [0,1,0,0,0,1|2,0,0]=4 3798 B13R1.511 CC(=O)CCc1ccc(c(c1)C)F 1458a_100011615030_200000210301 [0,1,0,0,0,1|2,0,0]=4 3799 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Br 1458a_100009812081_200000210301 [0,1,0,0,0,1|2,0,0]=4 3800 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000070787_100011713676 [0,1,0,0,0,1|2,0,0]=4 3801 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000735579_200000210301 [0,1,0,0,0,1|2,0,0]=4 3802 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)F 1458a_100000070787_100012361305 [0,1,0,0,0,1|2,0,0]=4 3803 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)F 1458a_100011218152_200000210301 [0,1,0,0,0,1|2,0,0]=4 3804 B13R1.511 CC(=O)CCc1ccc(c(c1)F)Br 1458a_100010146367_200000210301 [0,1,0,0,0,1|2,0,0]=4 3805 B13R1.511 CC(=O)CCc1ccc(c(c1)F)C 1458a_100011830284_200000210301 [0,1,0,0,0,1|2,0,0]=4 3806 B13R1.511 CC(=O)CCc1ccc(c(c1)F)Cl 1458a_100011518922_200000210301 [0,1,0,0,0,1|2,0,0]=4 3807 B13R1.511 CC(=O)CCc1ccc(c(c1)F)F 1458a_100000070787_100000690553 [0,1,0,0,0,1|2,0,0]=4 3808 B13R1.511 CC(=O)CCc1ccc(c(c1)F)F 1458a_100000737970_200000210301 [0,1,0,0,0,1|2,0,0]=4 3809 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [0,1,0,0,0,1|1,0,0]=3 3810 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [0,1,0,0,0,1|1,0,0]=3 3811 B13R1.511 CC(=O)COc1ccc(c(c1)C)C 1458a_100000182425_200000210301 [0,1,0,0,0,1|2,0,0]=4 3812 B13R1.511 CC(=O)COc1ccc(c(c1)C)Cl 1458a_100000182483_200000210301 [0,1,0,0,0,1|2,0,0]=4 3813 B13R1.511 CC(=O)COc1ccc(c(c1)Cl)Cl 1458a_100000191221_200000210301 [0,1,0,0,0,1|2,0,0]=4 3814 B13R1.511 CC(=O)COc1ccc(c(c1)Cl)F 1458a_100000191248_200000210301 [0,1,0,0,0,1|2,0,0]=4 3815 B13R1.511 CC(=O)COc1ccc(c(c1)F)Cl 1458a_100012982646_200000210301 [0,1,0,0,0,1|2,0,0]=4 3816 B13R1.511 CC(=O)COc1ccc(c(c1)F)F 1458a_100000246063_200000210301 [0,1,0,0,0,1|2,0,0]=4 3817 B13R1.511 CC(=O)CSc1ccc(c(c1)F)F 1458a_100000204393_200000210301 [0,1,0,0,0,1|2,0,0]=4 3818 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Br 11a_100012351559_100015343762 [0,1,0,0,0,1|2,0,0]=4 3819 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Br 1626a_100012351559_100015343762 [0,1,0,0,0,1|2,0,0]=4 3820 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Br 240690a_100012351559_100015343762 [0,1,0,0,0,1|2,0,0]=4 3821 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Br 527a_100012351559_100103153847 [0,1,0,0,0,1|2,0,0]=4 3822 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Cl 11a_100012349490_100015343762 [0,1,0,0,0,1|2,0,0]=4 3823 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Cl 1626a_100012349490_100015343762 [0,1,0,0,0,1|2,0,0]=4 3824 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Cl 240690a_100012349490_100015343762 [0,1,0,0,0,1|2,0,0]=4 3825 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Cl 527a_100012349490_100103153847 [0,1,0,0,0,1|2,0,0]=4 3826 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)F 11a_100015193890_100015343762 [0,1,0,0,0,1|2,0,0]=4 3827 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)F 1626a_100015193890_100015343762 [0,1,0,0,0,1|2,0,0]=4 3828 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)F 240690a_100015193890_100015343762 [0,1,0,0,0,1|2,0,0]=4 3829 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)F 527a_100015193890_100103153847 [0,1,0,0,0,1|2,0,0]=4 3830 B13R1.511 CC(=O)NCc1ccc(c(c1)C)Br 11a_100015205234_100015343762 [0,1,0,0,0,1|2,0,0]=4 3831 B13R1.511 CC(=O)NCc1ccc(c(c1)C)Br 1626a_100015205234_100015343762 [0,1,0,0,0,1|2,0,0]=4 3832 B13R1.511 CC(=O)NCc1ccc(c(c1)C)Br 240690a_100015205234_100015343762 [0,1,0,0,0,1|2,0,0]=4 3833 B13R1.511 CC(=O)NCc1ccc(c(c1)C)Br 527a_100015205234_100103153847 [0,1,0,0,0,1|2,0,0]=4 3834 B13R1.511 CC(=O)NCc1ccc(c(c1)C)C 11a_100025706692_100015343762 [0,1,0,0,0,1|2,0,0]=4 3835 B13R1.511 CC(=O)NCc1ccc(c(c1)C)C 1626a_100025706692_100015343762 [0,1,0,0,0,1|2,0,0]=4 3836 B13R1.511 CC(=O)NCc1ccc(c(c1)C)C 240690a_100025706692_100015343762 [0,1,0,0,0,1|2,0,0]=4 3837 B13R1.511 CC(=O)NCc1ccc(c(c1)C)C 527a_100025706692_100103153847 [0,1,0,0,0,1|2,0,0]=4 3838 B13R1.511 CC(=O)NCc1ccc(c(c1)C)F 11a_100000239911_100015343762 [0,1,0,0,0,1|2,0,0]=4 3839 B13R1.511 CC(=O)NCc1ccc(c(c1)C)F 1626a_100000239911_100015343762 [0,1,0,0,0,1|2,0,0]=4 3840 B13R1.511 CC(=O)NCc1ccc(c(c1)C)F 240690a_100000239911_100015343762 [0,1,0,0,0,1|2,0,0]=4 3841 B13R1.511 CC(=O)NCc1ccc(c(c1)C)F 527a_100000239911_100103153847 [0,1,0,0,0,1|2,0,0]=4 3842 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Br 11a_100012362553_100015343762 [0,1,0,0,0,1|2,0,0]=4 3843 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Br 1626a_100012362553_100015343762 [0,1,0,0,0,1|2,0,0]=4 3844 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Br 240690a_100012362553_100015343762 [0,1,0,0,0,1|2,0,0]=4 3845 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Br 527a_100012362553_100103153847 [0,1,0,0,0,1|2,0,0]=4 3846 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)C 11a_102495364989_100015343762 [0,1,0,0,0,1|2,0,0]=4 3847 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)C 1626a_102495364989_100015343762 [0,1,0,0,0,1|2,0,0]=4 3848 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)C 240690a_102495364989_100015343762 [0,1,0,0,0,1|2,0,0]=4 3849 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)C 527a_102495364989_100103153847 [0,1,0,0,0,1|2,0,0]=4 3850 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Cl 11a_100000174881_100015343762 [0,1,0,0,0,1|2,0,0]=4 3851 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Cl 1626a_100000174881_100015343762 [0,1,0,0,0,1|2,0,0]=4 3852 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Cl 240690a_100000174881_100015343762 [0,1,0,0,0,1|2,0,0]=4 3853 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Cl 527a_100000174881_100103153847 [0,1,0,0,0,1|2,0,0]=4 3854 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)F 11a_100000749334_100015343762 [0,1,0,0,0,1|2,0,0]=4 3855 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)F 1626a_100000749334_100015343762 [0,1,0,0,0,1|2,0,0]=4 3856 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)F 240690a_100000749334_100015343762 [0,1,0,0,0,1|2,0,0]=4 3857 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)F 527a_100000749334_100103153847 [0,1,0,0,0,1|2,0,0]=4 3858 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Br 11a_100000755036_100015343762 [0,1,0,0,0,1|2,0,0]=4 3859 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Br 1626a_100000755036_100015343762 [0,1,0,0,0,1|2,0,0]=4 3860 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Br 240690a_100000755036_100015343762 [0,1,0,0,0,1|2,0,0]=4 3861 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Br 527a_100000755036_100103153847 [0,1,0,0,0,1|2,0,0]=4 3862 B13R1.511 CC(=O)NCc1ccc(c(c1)F)C 11a_100102708794_100015343762 [0,1,0,0,0,1|2,0,0]=4 3863 B13R1.511 CC(=O)NCc1ccc(c(c1)F)C 1626a_100102708794_100015343762 [0,1,0,0,0,1|2,0,0]=4 3864 B13R1.511 CC(=O)NCc1ccc(c(c1)F)C 240690a_100102708794_100015343762 [0,1,0,0,0,1|2,0,0]=4 3865 B13R1.511 CC(=O)NCc1ccc(c(c1)F)C 527a_100102708794_100103153847 [0,1,0,0,0,1|2,0,0]=4 3866 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Cl 11a_100011219866_100015343762 [0,1,0,0,0,1|2,0,0]=4 3867 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Cl 1626a_100011219866_100015343762 [0,1,0,0,0,1|2,0,0]=4 3868 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Cl 240690a_100011219866_100015343762 [0,1,0,0,0,1|2,0,0]=4 3869 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Cl 527a_100011219866_100103153847 [0,1,0,0,0,1|2,0,0]=4 3870 B13R1.511 CC(=O)NCc1ccc(c(c1)F)F 11a_100000737897_100015343762 [0,1,0,0,0,1|2,0,0]=4 3871 B13R1.511 CC(=O)NCc1ccc(c(c1)F)F 1626a_100000737897_100015343762 [0,1,0,0,0,1|2,0,0]=4 3872 B13R1.511 CC(=O)NCc1ccc(c(c1)F)F 240690a_100000737897_100015343762 [0,1,0,0,0,1|2,0,0]=4 3873 B13R1.511 CC(=O)NCc1ccc(c(c1)F)F 527a_100000737897_100103153847 [0,1,0,0,0,1|2,0,0]=4 3874 B13R1.511 CC(=O)NCc1ccc(c(c1)F)O 240690a_100000758358_100015343762 [0,1,0,0,0,1|1,0,0]=3 3875 B13R1.511 CC(=O)NCc1ccc(c(c1)F)O 527a_100000758358_100103153847 [0,1,0,0,0,1|1,0,0]=3 3876 B13R1.511 CC(=O)NCc1ccc(c(c1)O)Cl 240690a_100020636435_100015343762 [0,1,0,0,0,1|2,0,0]=4 3877 B13R1.511 CC(=O)NCc1ccc(c(c1)O)Cl 527a_100020636435_100103153847 [0,1,0,0,0,1|2,0,0]=4 3878 B13R1.511 CC(=O)NCc1ccc(c(c1)O)F 240690a_100160469508_100015343762 [0,1,0,0,0,1|2,0,0]=4 3879 B13R1.511 CC(=O)NCc1ccc(c(c1)O)F 527a_100160469508_100103153847 [0,1,0,0,0,1|2,0,0]=4 3880 B13R1.511 CC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100015343762 [0,1,0,0,0,1|1,0,0]=3 3881 B13R1.511 CC(O)CNc1ccc(c(c1)Br)O 34a_100011534360_100011218427 [0,1,0,0,0,1|1,0,1]=4 3882 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100011218427 [0,1,0,0,0,1|1,0,1]=4 3883 B13R1.511 CC(O)CNc1ccc(c(c1)F)O 34a_100011220035_100011218427 [0,1,0,0,0,1|1,0,1]=4 3884 B13R1.511 CC(O)CNc1ccc(c(c1)F)O 7a_100011220035_100011218427 [0,1,0,0,0,1|1,0,1]=4 3885 B13R1.511 CC(O)CNc1ccc(c(c1)O)O 34a_100102946323_100011218427 [0,1,0,0,0,1|1,0,1]=4 3886 B13R1.511 CC(O)CSc1ccc(c(c1)Br)O 62a_100011218427_100012361655 [0,1,0,0,0,1|1,0,1]=4 3887 B13R1.511 CC(O)CSc1ccc(c(c1)Br)O 62a_100012361655_100011218427 [0,1,0,0,0,1|1,0,1]=4 3888 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)O 62a_100011218427_100012360047 [0,1,0,0,0,1|1,0,1]=4 3889 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100011218427 [0,1,0,0,0,1|1,0,1]=4 3890 B13R1.511 CC(O)CSc1ccc(c(c1)F)O 62a_100000185481_100011218427 [0,1,0,0,0,1|1,0,1]=4 3891 B13R1.511 CC(O)CSc1ccc(c(c1)F)O 62a_100011218427_100000185481 [0,1,0,0,0,1|1,0,1]=4 3892 B13R1.511 CC(O)CSc1ccc(c(c1)N)O 62a_100000752626_100011218427 [0,1,0,0,0,1|1,0,1]=4 3893 B13R1.511 CC(O)CSc1ccc(c(c1)N)O 62a_100011218427_100000752626 [0,1,0,0,0,1|1,0,1]=4 3894 B13R1.511 CC(O)CSc1ccc(c(c1)O)O 62a_100011218427_100009813601 [0,1,0,0,0,1|1,0,1]=4 3895 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)O 34a_100011534360_100009817552 [0,1,0,0,0,1|1,0,1]=4 3896 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100009817552 [0,1,0,0,0,1|1,0,1]=4 3897 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)O 34a_100011220035_100009817552 [0,1,0,0,0,1|1,0,1]=4 3898 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)O 7a_100011220035_100009817552 [0,1,0,0,0,1|1,0,1]=4 3899 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)O 34a_100102946323_100009817552 [0,1,0,0,0,1|1,0,1]=4 3900 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)O 62a_100009817552_100012361655 [0,1,0,0,0,1|1,0,1]=4 3901 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)O 62a_100012361655_100009817552 [0,1,0,0,0,1|1,0,1]=4 3902 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)O 62a_100009817552_100012360047 [0,1,0,0,0,1|1,0,1]=4 3903 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100009817552 [0,1,0,0,0,1|1,0,1]=4 3904 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)O 62a_100000185481_100009817552 [0,1,0,0,0,1|1,0,1]=4 3905 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)O 62a_100009817552_100000185481 [0,1,0,0,0,1|1,0,1]=4 3906 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)O 62a_100000752626_100009817552 [0,1,0,0,0,1|1,0,1]=4 3907 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)O 62a_100009817552_100000752626 [0,1,0,0,0,1|1,0,1]=4 3908 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)O 62a_100009817552_100009813601 [0,1,0,0,0,1|1,0,1]=4 3909 B13R1.511 Cc1cc(ccc1Br)NCC(=O)N 2230a_100000210723_100000747473 [0,1,0,0,0,1|2,0,0]=4 3910 B13R1.511 Cc1cc(ccc1Br)NCC(=O)N 34a_100000210723_100000187820 [0,1,0,0,0,1|2,0,0]=4 3911 B13R1.511 Cc1cc(ccc1Br)NCC(=O)N 7a_100000210723_100000187820 [0,1,0,0,0,1|2,0,0]=4 3912 B13R1.511 Cc1cc(ccc1Br)NCC(=O)[O-] 34a_100000210723_100020667443 [0,1,0,0,0,1|1,0,1]=4 3913 B13R1.511 Cc1cc(ccc1Br)OCC(=O)N 34a_100000690111_100000187820 [0,1,0,0,0,1|2,0,0]=4 3914 B13R1.511 Cc1cc(ccc1Br)OCC(=O)N 7a_100000690111_100000187820 [0,1,0,0,0,1|2,0,0]=4 3915 B13R1.511 Cc1cc(ccc1Br)OCC(=O)[O-] 34a_100000690111_100020667443 [0,1,0,0,0,1|1,0,1]=4 3916 B13R1.511 Cc1cc(ccc1Br)SCC(=O)N 62a_100000747473_100009813585 [0,1,0,0,0,1|2,0,0]=4 3917 B13R1.511 Cc1cc(ccc1Br)SCC(=O)N 62a_100009813585_100000747473 [0,1,0,0,0,1|2,0,0]=4 3918 B13R1.511 Cc1cc(ccc1Br)SCC(=O)[O-] 62a_100009813585_100020667443 [0,1,0,0,0,1|1,0,1]=4 3919 B13R1.511 Cc1cc(ccc1Br)SCC(=O)[O-] 62a_100020667443_100009813585 [0,1,0,0,0,1|1,0,1]=4 3920 B13R1.511 Cc1cc(ccc1Cl)NCC(=O)N 2230a_100000187808_100000747473 [0,1,0,0,0,1|2,0,0]=4 3921 B13R1.511 Cc1cc(ccc1Cl)NCC(=O)N 34a_100000187808_100000187820 [0,1,0,0,0,1|2,0,0]=4 3922 B13R1.511 Cc1cc(ccc1Cl)NCC(=O)N 7a_100000187808_100000187820 [0,1,0,0,0,1|2,0,0]=4 3923 B13R1.511 Cc1cc(ccc1Cl)NCC(=O)[O-] 34a_100000187808_100020667443 [0,1,0,0,0,1|1,0,1]=4 3924 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)N 34a_100000211092_100000187820 [0,1,0,0,0,1|2,0,0]=4 3925 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)N 7a_100000211092_100000187820 [0,1,0,0,0,1|2,0,0]=4 3926 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)[13CH3] 1458a_100000182483_200025704644 [0,1,0,0,0,1|2,0,0]=4 3927 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)[O-] 34a_100000211092_100020667443 [0,1,0,0,0,1|1,0,1]=4 3928 B13R1.511 Cc1cc(ccc1Cl)SCC(=O)N 62a_100000049509_100000747473 [0,1,0,0,0,1|2,0,0]=4 3929 B13R1.511 Cc1cc(ccc1Cl)SCC(=O)N 62a_100000747473_100000049509 [0,1,0,0,0,1|2,0,0]=4 3930 B13R1.511 Cc1cc(ccc1Cl)SCC(=O)[O-] 62a_100000049509_100020667443 [0,1,0,0,0,1|1,0,1]=4 3931 B13R1.511 Cc1cc(ccc1Cl)SCC(=O)[O-] 62a_100020667443_100000049509 [0,1,0,0,0,1|1,0,1]=4 3932 B13R1.511 Cc1cc(ccc1F)CCC(=O)[13CH3] 1458a_100011615030_200025704644 [0,1,0,0,0,1|2,0,0]=4 3933 B13R1.511 Cc1cc(ccc1F)NCC(=O)N 2230a_100000750164_100000747473 [0,1,0,0,0,1|2,0,0]=4 3934 B13R1.511 Cc1cc(ccc1F)NCC(=O)N 34a_100000750164_100000187820 [0,1,0,0,0,1|2,0,0]=4 3935 B13R1.511 Cc1cc(ccc1F)NCC(=O)N 7a_100000750164_100000187820 [0,1,0,0,0,1|2,0,0]=4 3936 B13R1.511 Cc1cc(ccc1F)NCC(=O)[O-] 34a_100000750164_100020667443 [0,1,0,0,0,1|1,0,1]=4 3937 B13R1.511 Cc1cc(ccc1F)OCC(=O)N 34a_100000751312_100000187820 [0,1,0,0,0,1|2,0,0]=4 3938 B13R1.511 Cc1cc(ccc1F)OCC(=O)N 7a_100000751312_100000187820 [0,1,0,0,0,1|2,0,0]=4 3939 B13R1.511 Cc1cc(ccc1F)OCC(=O)[O-] 34a_100000751312_100020667443 [0,1,0,0,0,1|1,0,1]=4 3940 B13R1.511 Cc1cc(ccc1F)SCC(=O)N 62a_100000747473_100011218330 [0,1,0,0,0,1|2,0,0]=4 3941 B13R1.511 Cc1cc(ccc1F)SCC(=O)N 62a_100011218330_100000747473 [0,1,0,0,0,1|2,0,0]=4 3942 B13R1.511 Cc1cc(ccc1F)SCC(=O)[O-] 62a_100011218330_100020667443 [0,1,0,0,0,1|1,0,1]=4 3943 B13R1.511 Cc1cc(ccc1F)SCC(=O)[O-] 62a_100020667443_100011218330 [0,1,0,0,0,1|1,0,1]=4 3944 B13R1.511 Cc1cc(ccc1I)NCC(=O)N 34a_100000198070_100000187820 [0,1,0,0,0,1|2,0,0]=4 3945 B13R1.511 Cc1cc(ccc1I)NCC(=O)N 7a_100000198070_100000187820 [0,1,0,0,0,1|2,0,0]=4 3946 B13R1.511 Cc1cc(ccc1I)NCC(=O)[O-] 34a_100000198070_100020667443 [0,1,0,0,0,1|1,0,1]=4 3947 B13R1.511 Cc1cc(ccc1I)OCC(=O)N 34a_100000729255_100000187820 [0,1,0,0,0,1|2,0,0]=4 3948 B13R1.511 Cc1cc(ccc1I)OCC(=O)N 7a_100000729255_100000187820 [0,1,0,0,0,1|2,0,0]=4 3949 B13R1.511 Cc1cc(ccc1I)OCC(=O)[O-] 34a_100000729255_100020667443 [0,1,0,0,0,1|1,0,1]=4 3950 B13R1.511 Cc1cc(ccc1N)OCC(=O)N 34a_100000756630_100000187820 [0,1,0,0,0,1|2,0,0]=4 3951 B13R1.511 Cc1cc(ccc1N)OCC(=O)N 7a_100000756630_100000187820 [0,1,0,0,0,1|2,0,0]=4 3952 B13R1.511 Cc1cc(ccc1N)OCC(=O)[O-] 34a_100000756630_100020667443 [0,1,0,0,0,1|1,0,1]=4 3953 B13R1.511 Cc1cc(ccc1N)SCC(=O)N 62a_100000211769_100000747473 [0,1,0,0,0,1|2,0,0]=4 3954 B13R1.511 Cc1cc(ccc1N)SCC(=O)N 62a_100000747473_100000211769 [0,1,0,0,0,1|2,0,0]=4 3955 B13R1.511 Cc1cc(ccc1N)SCC(=O)[O-] 62a_100000211769_100020667443 [0,1,0,0,0,1|1,0,1]=4 3956 B13R1.511 Cc1cc(ccc1N)SCC(=O)[O-] 62a_100020667443_100000211769 [0,1,0,0,0,1|1,0,1]=4 3957 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 34a_100011218179_100000187820 [0,1,0,0,0,1|1,0,0]=3 3958 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 7a_100011218179_100000187820 [0,1,0,0,0,1|1,0,0]=3 3959 B13R1.511 Cc1cc(ccc1O)NCC(=O)[O-] 34a_100011218179_100020667443 [0,1,0,0,0,1|0,0,1]=3 3960 B13R1.511 Cc1cc(ccc1O)NCC(C)O 34a_100011218179_100011218427 [0,1,0,0,0,1|1,0,1]=4 3961 B13R1.511 Cc1cc(ccc1O)NCC(C)O 7a_100011218179_100011218427 [0,1,0,0,0,1|1,0,1]=4 3962 B13R1.511 Cc1cc(ccc1O)NC[C@@H](C)O 34a_100011218179_100009817552 [0,1,0,0,0,1|1,0,1]=4 3963 B13R1.511 Cc1cc(ccc1O)NC[C@@H](C)O 7a_100011218179_100009817552 [0,1,0,0,0,1|1,0,1]=4 3964 B13R1.511 Cc1cc(ccc1O)NC[N+](=O)[O-] 34a_100011218179_100000761209 [0,1,0,0,0,1|1,0,1]=4 3965 B13R1.511 Cc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000186361 [0,1,0,0,0,1|1,0,0]=3 3966 B13R1.511 Cc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000186361 [0,1,0,0,0,1|0,0,1]=3 3967 B13R1.511 Cc1cc(ccc1O)SCC(C)O 62a_100011218427_100000186361 [0,1,0,0,0,1|1,0,1]=4 3968 B13R1.511 Cc1cc(ccc1O)SC[C@@H](C)O 62a_100009817552_100000186361 [0,1,0,0,0,1|1,0,1]=4 3969 B13R1.511 Cc1cc(cnc1O)SCC(=O)N 62a_100000685391_100000747473 [0,1,0,0,0,1|2,0,0]=4 3970 B13R1.511 Cc1cc(cnc1O)SCC(=O)N 62a_100000747473_100000685391 [0,1,0,0,0,1|2,0,0]=4 3971 B13R1.511 Cc1cc(cnc1O)SCC(=O)[O-] 62a_100000685391_100020667443 [0,1,0,0,0,1|1,0,1]=4 3972 B13R1.511 Cc1cc(cnc1O)SCC(=O)[O-] 62a_100020667443_100000685391 [0,1,0,0,0,1|1,0,1]=4 3973 B13R1.511 Cc1cc(ncc1O)SCC(=O)N 62a_100000747473_100000692680 [0,1,0,0,0,1|2,0,0]=4 3974 B13R1.511 Cc1cc(ncc1O)SCC(=O)[O-] 62a_100020667443_100000692680 [0,1,0,0,0,1|1,0,1]=4 3975 B13R1.511 Cc1ccc(cc1Br)CCC(=O)[13CH3] 1458a_100010220830_200025704644 [0,1,0,0,0,1|2,0,0]=4 3976 B13R1.511 Cc1ccc(cc1Br)NCC(=O)N 2230a_100000736455_100000747473 [0,1,0,0,0,1|2,0,0]=4 3977 B13R1.511 Cc1ccc(cc1Br)NCC(=O)N 34a_100000736455_100000187820 [0,1,0,0,0,1|2,0,0]=4 3978 B13R1.511 Cc1ccc(cc1Br)NCC(=O)N 7a_100000736455_100000187820 [0,1,0,0,0,1|2,0,0]=4 3979 B13R1.511 Cc1ccc(cc1Br)NCC(=O)[O-] 34a_100000736455_100020667443 [0,1,0,0,0,1|1,0,1]=4 3980 B13R1.511 Cc1ccc(cc1Br)OCC(=O)N 34a_100011380479_100000187820 [0,1,0,0,0,1|2,0,0]=4 3981 B13R1.511 Cc1ccc(cc1Br)OCC(=O)N 7a_100011380479_100000187820 [0,1,0,0,0,1|2,0,0]=4 3982 B13R1.511 Cc1ccc(cc1Br)OCC(=O)[O-] 34a_100011380479_100020667443 [0,1,0,0,0,1|1,0,1]=4 3983 B13R1.511 Cc1ccc(cc1Br)SCC(=O)N 62a_100000747473_100011847877 [0,1,0,0,0,1|2,0,0]=4 3984 B13R1.511 Cc1ccc(cc1Br)SCC(=O)N 62a_100011847877_100000747473 [0,1,0,0,0,1|2,0,0]=4 3985 B13R1.511 Cc1ccc(cc1Br)SCC(=O)[O-] 62a_100011847877_100020667443 [0,1,0,0,0,1|1,0,1]=4 3986 B13R1.511 Cc1ccc(cc1Br)SCC(=O)[O-] 62a_100020667443_100011847877 [0,1,0,0,0,1|1,0,1]=4 3987 B13R1.511 Cc1ccc(cc1C)CCC(=O)[13CH3] 1458a_100011338283_200025704644 [0,1,0,0,0,1|2,0,0]=4 3988 B13R1.511 Cc1ccc(cc1C)NCC(=O)N 2230a_100000724040_100000747473 [0,1,0,0,0,1|2,0,0]=4 3989 B13R1.511 Cc1ccc(cc1C)NCC(=O)N 34a_100000724040_100000187820 [0,1,0,0,0,1|2,0,0]=4 3990 B13R1.511 Cc1ccc(cc1C)NCC(=O)N 7a_100000724040_100000187820 [0,1,0,0,0,1|2,0,0]=4 3991 B13R1.511 Cc1ccc(cc1C)NCC(=O)[O-] 34a_100000724040_100020667443 [0,1,0,0,0,1|1,0,1]=4 3992 B13R1.511 Cc1ccc(cc1C)OCC(=O)N 34a_100000210932_100000187820 [0,1,0,0,0,1|2,0,0]=4 3993 B13R1.511 Cc1ccc(cc1C)OCC(=O)N 7a_100000210932_100000187820 [0,1,0,0,0,1|2,0,0]=4 3994 B13R1.511 Cc1ccc(cc1C)OCC(=O)[13CH3] 1458a_100000182425_200025704644 [0,1,0,0,0,1|2,0,0]=4 3995 B13R1.511 Cc1ccc(cc1C)OCC(=O)[O-] 34a_100000210932_100020667443 [0,1,0,0,0,1|1,0,1]=4 3996 B13R1.511 Cc1ccc(cc1C)SCC(=O)N 62a_100000747473_100011215607 [0,1,0,0,0,1|2,0,0]=4 3997 B13R1.511 Cc1ccc(cc1C)SCC(=O)N 62a_100011215607_100000747473 [0,1,0,0,0,1|2,0,0]=4 3998 B13R1.511 Cc1ccc(cc1C)SCC(=O)[O-] 62a_100011215607_100020667443 [0,1,0,0,0,1|1,0,1]=4 3999 B13R1.511 Cc1ccc(cc1C)SCC(=O)[O-] 62a_100020667443_100011215607 [0,1,0,0,0,1|1,0,1]=4 4000 B13R1.511 Cc1ccc(cc1Cl)NCC(=O)N 2230a_100000188892_100000747473 [0,1,0,0,0,1|2,0,0]=4 4001 B13R1.511 Cc1ccc(cc1Cl)NCC(=O)N 34a_100000188892_100000187820 [0,1,0,0,0,1|2,0,0]=4 4002 B13R1.511 Cc1ccc(cc1Cl)NCC(=O)N 7a_100000188892_100000187820 [0,1,0,0,0,1|2,0,0]=4 4003 B13R1.511 Cc1ccc(cc1Cl)NCC(=O)[O-] 34a_100000188892_100020667443 [0,1,0,0,0,1|1,0,1]=4 4004 B13R1.511 Cc1ccc(cc1Cl)OCC(=O)N 34a_100011265682_100000187820 [0,1,0,0,0,1|2,0,0]=4 4005 B13R1.511 Cc1ccc(cc1Cl)OCC(=O)N 7a_100011265682_100000187820 [0,1,0,0,0,1|2,0,0]=4 4006 B13R1.511 Cc1ccc(cc1Cl)OCC(=O)[O-] 34a_100011265682_100020667443 [0,1,0,0,0,1|1,0,1]=4 4007 B13R1.511 Cc1ccc(cc1Cl)SCC(=O)N 62a_100000747473_100011216363 [0,1,0,0,0,1|2,0,0]=4 4008 B13R1.511 Cc1ccc(cc1Cl)SCC(=O)N 62a_100011216363_100000747473 [0,1,0,0,0,1|2,0,0]=4 4009 B13R1.511 Cc1ccc(cc1Cl)SCC(=O)[O-] 62a_100011216363_100020667443 [0,1,0,0,0,1|1,0,1]=4 4010 B13R1.511 Cc1ccc(cc1Cl)SCC(=O)[O-] 62a_100020667443_100011216363 [0,1,0,0,0,1|1,0,1]=4 4011 B13R1.511 Cc1ccc(cc1F)CCC(=O)[13CH3] 1458a_100011830284_200025704644 [0,1,0,0,0,1|2,0,0]=4 4012 B13R1.511 Cc1ccc(cc1F)NCC(=O)N 2230a_100000210958_100000747473 [0,1,0,0,0,1|2,0,0]=4 4013 B13R1.511 Cc1ccc(cc1F)NCC(=O)N 34a_100000210958_100000187820 [0,1,0,0,0,1|2,0,0]=4 4014 B13R1.511 Cc1ccc(cc1F)NCC(=O)N 7a_100000210958_100000187820 [0,1,0,0,0,1|2,0,0]=4 4015 B13R1.511 Cc1ccc(cc1F)NCC(=O)[O-] 34a_100000210958_100020667443 [0,1,0,0,0,1|1,0,1]=4 4016 B13R1.511 Cc1ccc(cc1F)OCC(=O)N 34a_100000722560_100000187820 [0,1,0,0,0,1|2,0,0]=4 4017 B13R1.511 Cc1ccc(cc1F)OCC(=O)N 7a_100000722560_100000187820 [0,1,0,0,0,1|2,0,0]=4 4018 B13R1.511 Cc1ccc(cc1F)OCC(=O)[O-] 34a_100000722560_100020667443 [0,1,0,0,0,1|1,0,1]=4 4019 B13R1.511 Cc1ccc(cc1F)SCC(=O)N 62a_100000720648_100000747473 [0,1,0,0,0,1|2,0,0]=4 4020 B13R1.511 Cc1ccc(cc1F)SCC(=O)N 62a_100000747473_100000720648 [0,1,0,0,0,1|2,0,0]=4 4021 B13R1.511 Cc1ccc(cc1F)SCC(=O)[O-] 62a_100000720648_100020667443 [0,1,0,0,0,1|1,0,1]=4 4022 B13R1.511 Cc1ccc(cc1F)SCC(=O)[O-] 62a_100020667443_100000720648 [0,1,0,0,0,1|1,0,1]=4 4023 B13R1.511 Cc1ccc(cc1I)NCC(=O)N 34a_100000184131_100000187820 [0,1,0,0,0,1|2,0,0]=4 4024 B13R1.511 Cc1ccc(cc1I)NCC(=O)N 7a_100000184131_100000187820 [0,1,0,0,0,1|2,0,0]=4 4025 B13R1.511 Cc1ccc(cc1I)NCC(=O)[O-] 34a_100000184131_100020667443 [0,1,0,0,0,1|1,0,1]=4 4026 B13R1.511 Cc1ccc(cc1N)OCC(=O)N 34a_100011216113_100000187820 [0,1,0,0,0,1|2,0,0]=4 4027 B13R1.511 Cc1ccc(cc1N)OCC(=O)N 7a_100011216113_100000187820 [0,1,0,0,0,1|2,0,0]=4 4028 B13R1.511 Cc1ccc(cc1N)OCC(=O)[O-] 34a_100011216113_100020667443 [0,1,0,0,0,1|1,0,1]=4 4029 B13R1.511 Cc1ccc(cc1N)SCC(=O)N 62a_100000747473_100000761890 [0,1,0,0,0,1|2,0,0]=4 4030 B13R1.511 Cc1ccc(cc1N)SCC(=O)N 62a_100000761890_100000747473 [0,1,0,0,0,1|2,0,0]=4 4031 B13R1.511 Cc1ccc(cc1N)SCC(=O)[O-] 62a_100000761890_100020667443 [0,1,0,0,0,1|1,0,1]=4 4032 B13R1.511 Cc1ccc(cc1N)SCC(=O)[O-] 62a_100020667443_100000761890 [0,1,0,0,0,1|1,0,1]=4 4033 B13R1.511 Cc1ccc(cc1O)NCC(=O)N 34a_100000759471_100000187820 [0,1,0,0,0,1|2,0,0]=4 4034 B13R1.511 Cc1ccc(cc1O)NCC(=O)N 7a_100000759471_100000187820 [0,1,0,0,0,1|2,0,0]=4 4035 B13R1.511 Cc1ccc(cc1O)NCC(=O)[O-] 34a_100000759471_100020667443 [0,1,0,0,0,1|1,0,1]=4 4036 B13R1.511 Cc1ccc(cc1O)SCC(=O)N 62a_100000685420_100000747473 [0,1,0,0,0,1|2,0,0]=4 4037 B13R1.511 Cc1ccc(cc1O)SCC(=O)N 62a_100000747473_100000685420 [0,1,0,0,0,1|2,0,0]=4 4038 B13R1.511 Cc1ccc(cc1O)SCC(=O)[O-] 62a_100000685420_100020667443 [0,1,0,0,0,1|1,0,1]=4 4039 B13R1.511 Cc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100000685420 [0,1,0,0,0,1|1,0,1]=4 4040 B13R1.511 Cc1nc(ccc1O)SCC(=O)N 62a_100000747473_100010233687 [0,1,0,0,0,1|2,0,0]=4 4041 B13R1.511 Cc1nc(ccc1O)SCC(=O)N 62a_100010233687_100000747473 [0,1,0,0,0,1|2,0,0]=4 4042 B13R1.511 Cc1nc(ccc1O)SCC(=O)[O-] 62a_100010233687_100020667443 [0,1,0,0,0,1|1,0,1]=4 4043 B13R1.511 Cc1nc(ccc1O)SCC(=O)[O-] 62a_100020667443_100010233687 [0,1,0,0,0,1|1,0,1]=4 4044 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100000747473 [0,1,0,0,0,1|2,0,0]=4 4045 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)Br 34a_100011306057_100000187820 [0,1,0,0,0,1|2,0,0]=4 4046 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)Br 7a_100011306057_100000187820 [0,1,0,0,0,1|2,0,0]=4 4047 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000747473 [0,1,0,0,0,1|2,0,0]=4 4048 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100000187820 [0,1,0,0,0,1|2,0,0]=4 4049 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)F 2230a_100000760356_100000747473 [0,1,0,0,0,1|2,0,0]=4 4050 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)F 34a_100000760356_100000187820 [0,1,0,0,0,1|2,0,0]=4 4051 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)F 7a_100000760356_100000187820 [0,1,0,0,0,1|2,0,0]=4 4052 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)I 34a_100000750458_100000187820 [0,1,0,0,0,1|2,0,0]=4 4053 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)O 34a_100011534360_100000187820 [0,1,0,0,0,1|1,0,0]=3 4054 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000747473 [0,1,0,0,0,1|2,0,0]=4 4055 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100000187820 [0,1,0,0,0,1|2,0,0]=4 4056 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100000187820 [0,1,0,0,0,1|2,0,0]=4 4057 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000747473 [0,1,0,0,0,1|2,0,0]=4 4058 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000187820 [0,1,0,0,0,1|2,0,0]=4 4059 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100000747473 [0,1,0,0,0,1|2,0,0]=4 4060 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)F 34a_100000211060_100000187820 [0,1,0,0,0,1|2,0,0]=4 4061 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)F 7a_100000211060_100000187820 [0,1,0,0,0,1|2,0,0]=4 4062 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)I 34a_100000761885_100000187820 [0,1,0,0,0,1|2,0,0]=4 4063 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000187820 [0,1,0,0,0,1|1,0,0]=3 4064 B13R1.511 NC(=O)CNc1ccc(c(c1)F)Br 2230a_100000759894_100000747473 [0,1,0,0,0,1|2,0,0]=4 4065 B13R1.511 NC(=O)CNc1ccc(c(c1)F)Br 34a_100000759894_100000187820 [0,1,0,0,0,1|2,0,0]=4 4066 B13R1.511 NC(=O)CNc1ccc(c(c1)F)Br 7a_100000759894_100000187820 [0,1,0,0,0,1|2,0,0]=4 4067 B13R1.511 NC(=O)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100000747473 [0,1,0,0,0,1|2,0,0]=4 4068 B13R1.511 NC(=O)CNc1ccc(c(c1)F)Cl 34a_100000739366_100000187820 [0,1,0,0,0,1|2,0,0]=4 4069 B13R1.511 NC(=O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100000187820 [0,1,0,0,0,1|2,0,0]=4 4070 B13R1.511 NC(=O)CNc1ccc(c(c1)F)F 2230a_100000210724_100000747473 [0,1,0,0,0,1|2,0,0]=4 4071 B13R1.511 NC(=O)CNc1ccc(c(c1)F)F 34a_100000210724_100000187820 [0,1,0,0,0,1|2,0,0]=4 4072 B13R1.511 NC(=O)CNc1ccc(c(c1)F)F 7a_100000210724_100000187820 [0,1,0,0,0,1|2,0,0]=4 4073 B13R1.511 NC(=O)CNc1ccc(c(c1)F)I 34a_100011356925_100000187820 [0,1,0,0,0,1|2,0,0]=4 4074 B13R1.511 NC(=O)CNc1ccc(c(c1)F)I 7a_100011356925_100000187820 [0,1,0,0,0,1|2,0,0]=4 4075 B13R1.511 NC(=O)CNc1ccc(c(c1)F)O 34a_100011220035_100000187820 [0,1,0,0,0,1|1,0,0]=3 4076 B13R1.511 NC(=O)CNc1ccc(c(c1)F)O 7a_100011220035_100000187820 [0,1,0,0,0,1|1,0,0]=3 4077 B13R1.511 NC(=O)CNc1ccc(c(c1)I)Br 34a_100000750459_100000187820 [0,1,0,0,0,1|2,0,0]=4 4078 B13R1.511 NC(=O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100000187820 [0,1,0,0,0,1|2,0,0]=4 4079 B13R1.511 NC(=O)CNc1ccc(c(c1)I)F 34a_114828291077_100000187820 [0,1,0,0,0,1|2,0,0]=4 4080 B13R1.511 NC(=O)CNc1ccc(c(c1)I)F 7a_114828291077_100000187820 [0,1,0,0,0,1|2,0,0]=4 4081 B13R1.511 NC(=O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000187820 [0,1,0,0,0,1|2,0,0]=4 4082 B13R1.511 NC(=O)CNc1ccc(c(c1)O)F 34a_100012017398_100000187820 [0,1,0,0,0,1|2,0,0]=4 4083 B13R1.511 NC(=O)CNc1ccc(c(c1)O)F 7a_100012017398_100000187820 [0,1,0,0,0,1|2,0,0]=4 4084 B13R1.511 NC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000187820 [0,1,0,0,0,1|1,0,0]=3 4085 B13R1.511 NC(=O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000187820 [0,1,0,0,0,1|2,0,0]=4 4086 B13R1.511 NC(=O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000187820 [0,1,0,0,0,1|2,0,0]=4 4087 B13R1.511 NC(=O)COc1ccc(c(c1)Br)F 34a_100000693481_100000187820 [0,1,0,0,0,1|2,0,0]=4 4088 B13R1.511 NC(=O)COc1ccc(c(c1)Br)F 7a_100000693481_100000187820 [0,1,0,0,0,1|2,0,0]=4 4089 B13R1.511 NC(=O)COc1ccc(c(c1)Br)I 34a_100000701344_100000187820 [0,1,0,0,0,1|2,0,0]=4 4090 B13R1.511 NC(=O)COc1ccc(c(c1)Br)I 7a_100000701344_100000187820 [0,1,0,0,0,1|2,0,0]=4 4091 B13R1.511 NC(=O)COc1ccc(c(c1)Br)N 34a_100012001276_100000187820 [0,1,0,0,0,1|2,0,0]=4 4092 B13R1.511 NC(=O)COc1ccc(c(c1)Br)N 7a_100012001276_100000187820 [0,1,0,0,0,1|2,0,0]=4 4093 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100000187820 [0,1,0,0,0,1|2,0,0]=4 4094 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000187820 [0,1,0,0,0,1|2,0,0]=4 4095 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000187820 [0,1,0,0,0,1|2,0,0]=4 4096 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000187820 [0,1,0,0,0,1|2,0,0]=4 4097 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)F 34a_100000211030_100000187820 [0,1,0,0,0,1|2,0,0]=4 4098 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)F 7a_100000211030_100000187820 [0,1,0,0,0,1|2,0,0]=4 4099 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)I 34a_100000047559_100000187820 [0,1,0,0,0,1|2,0,0]=4 4100 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)I 7a_100000047559_100000187820 [0,1,0,0,0,1|2,0,0]=4 4101 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)N 34a_100011215599_100000187820 [0,1,0,0,0,1|2,0,0]=4 4102 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)N 7a_100011215599_100000187820 [0,1,0,0,0,1|2,0,0]=4 4103 B13R1.511 NC(=O)COc1ccc(c(c1)F)Br 34a_100000755031_100000187820 [0,1,0,0,0,1|2,0,0]=4 4104 B13R1.511 NC(=O)COc1ccc(c(c1)F)Br 7a_100000755031_100000187820 [0,1,0,0,0,1|2,0,0]=4 4105 B13R1.511 NC(=O)COc1ccc(c(c1)F)Cl 34a_100000691581_100000187820 [0,1,0,0,0,1|2,0,0]=4 4106 B13R1.511 NC(=O)COc1ccc(c(c1)F)Cl 7a_100000691581_100000187820 [0,1,0,0,0,1|2,0,0]=4 4107 B13R1.511 NC(=O)COc1ccc(c(c1)F)F 34a_100000181275_100000187820 [0,1,0,0,0,1|2,0,0]=4 4108 B13R1.511 NC(=O)COc1ccc(c(c1)F)F 7a_100000181275_100000187820 [0,1,0,0,0,1|2,0,0]=4 4109 B13R1.511 NC(=O)COc1ccc(c(c1)F)I 34a_100009990212_100000187820 [0,1,0,0,0,1|2,0,0]=4 4110 B13R1.511 NC(=O)COc1ccc(c(c1)F)I 7a_100009990212_100000187820 [0,1,0,0,0,1|2,0,0]=4 4111 B13R1.511 NC(=O)COc1ccc(c(c1)F)N 34a_100000759473_100000187820 [0,1,0,0,0,1|2,0,0]=4 4112 B13R1.511 NC(=O)COc1ccc(c(c1)F)N 7a_100000759473_100000187820 [0,1,0,0,0,1|2,0,0]=4 4113 B13R1.511 NC(=O)COc1ccc(c(c1)I)Br 34a_100012339312_100000187820 [0,1,0,0,0,1|2,0,0]=4 4114 B13R1.511 NC(=O)COc1ccc(c(c1)I)Br 7a_100012339312_100000187820 [0,1,0,0,0,1|2,0,0]=4 4115 B13R1.511 NC(=O)COc1ccc(c(c1)I)Cl 34a_100000049588_100000187820 [0,1,0,0,0,1|2,0,0]=4 4116 B13R1.511 NC(=O)COc1ccc(c(c1)I)Cl 7a_100000049588_100000187820 [0,1,0,0,0,1|2,0,0]=4 4117 B13R1.511 NC(=O)COc1ccc(c(c1)I)N 34a_100010084370_100000187820 [0,1,0,0,0,1|2,0,0]=4 4118 B13R1.511 NC(=O)COc1ccc(c(c1)I)N 7a_100010084370_100000187820 [0,1,0,0,0,1|2,0,0]=4 4119 B13R1.511 NC(=O)COc1ccc(c(c1)N)Br 34a_100011999798_100000187820 [0,1,0,0,0,1|2,0,0]=4 4120 B13R1.511 NC(=O)COc1ccc(c(c1)N)Br 7a_100011999798_100000187820 [0,1,0,0,0,1|2,0,0]=4 4121 B13R1.511 NC(=O)COc1ccc(c(c1)N)Cl 34a_100011934297_100000187820 [0,1,0,0,0,1|2,0,0]=4 4122 B13R1.511 NC(=O)COc1ccc(c(c1)N)F 34a_100012017239_100000187820 [0,1,0,0,0,1|2,0,0]=4 4123 B13R1.511 NC(=O)COc1ccc(c(c1)N)F 7a_100012017239_100000187820 [0,1,0,0,0,1|2,0,0]=4 4124 B13R1.511 NC(=O)COc1ccc(c(c1)N)N 34a_100025771000_100000187820 [0,1,0,0,0,1|2,0,0]=4 4125 B13R1.511 NC(=O)CSc1cc(c(cn1)O)N 62a_100000747473_100009819941 [0,1,0,0,0,1|2,0,0]=4 4126 B13R1.511 NC(=O)CSc1cc(c(cn1)O)N 62a_100009819941_100000747473 [0,1,0,0,0,1|2,0,0]=4 4127 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)Br 62a_100000747473_100012356285 [0,1,0,0,0,1|2,0,0]=4 4128 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)Br 62a_100012356285_100000747473 [0,1,0,0,0,1|2,0,0]=4 4129 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)Cl 62a_100000747473_100012353702 [0,1,0,0,0,1|2,0,0]=4 4130 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100000747473 [0,1,0,0,0,1|2,0,0]=4 4131 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)F 62a_100000747473_100012047266 [0,1,0,0,0,1|2,0,0]=4 4132 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)F 62a_100012047266_100000747473 [0,1,0,0,0,1|2,0,0]=4 4133 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)N 62a_100000747473_100000750455 [0,1,0,0,0,1|2,0,0]=4 4134 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)N 62a_100000750455_100000747473 [0,1,0,0,0,1|2,0,0]=4 4135 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)O 62a_100000747473_100012361655 [0,1,0,0,0,1|1,0,0]=3 4136 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)O 62a_100012361655_100000747473 [0,1,0,0,0,1|1,0,0]=3 4137 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)Br 62a_100000747473_100012047281 [0,1,0,0,0,1|2,0,0]=4 4138 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100000747473 [0,1,0,0,0,1|2,0,0]=4 4139 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)Cl 62a_100000747473_100011214914 [0,1,0,0,0,1|2,0,0]=4 4140 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000747473 [0,1,0,0,0,1|2,0,0]=4 4141 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)F 62a_100000747473_100011215976 [0,1,0,0,0,1|2,0,0]=4 4142 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)F 62a_100011215976_100000747473 [0,1,0,0,0,1|2,0,0]=4 4143 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)N 62a_100000747473_100011218065 [0,1,0,0,0,1|2,0,0]=4 4144 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)N 62a_100011218065_100000747473 [0,1,0,0,0,1|2,0,0]=4 4145 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)O 62a_100000747473_100012360047 [0,1,0,0,0,1|1,0,0]=3 4146 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000747473 [0,1,0,0,0,1|1,0,0]=3 4147 B13R1.511 NC(=O)CSc1ccc(c(c1)F)Br 62a_100000685389_100000747473 [0,1,0,0,0,1|2,0,0]=4 4148 B13R1.511 NC(=O)CSc1ccc(c(c1)F)Br 62a_100000747473_100000685389 [0,1,0,0,0,1|2,0,0]=4 4149 B13R1.511 NC(=O)CSc1ccc(c(c1)F)Cl 62a_100000747473_100011216805 [0,1,0,0,0,1|2,0,0]=4 4150 B13R1.511 NC(=O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100000747473 [0,1,0,0,0,1|2,0,0]=4 4151 B13R1.511 NC(=O)CSc1ccc(c(c1)F)F 62a_100000703953_100000747473 [0,1,0,0,0,1|2,0,0]=4 4152 B13R1.511 NC(=O)CSc1ccc(c(c1)F)F 62a_100000747473_100000703953 [0,1,0,0,0,1|2,0,0]=4 4153 B13R1.511 NC(=O)CSc1ccc(c(c1)F)N 62a_100000747473_100011215594 [0,1,0,0,0,1|2,0,0]=4 4154 B13R1.511 NC(=O)CSc1ccc(c(c1)F)N 62a_100011215594_100000747473 [0,1,0,0,0,1|2,0,0]=4 4155 B13R1.511 NC(=O)CSc1ccc(c(c1)F)O 62a_100000185481_100000747473 [0,1,0,0,0,1|1,0,0]=3 4156 B13R1.511 NC(=O)CSc1ccc(c(c1)F)O 62a_100000747473_100000185481 [0,1,0,0,0,1|1,0,0]=3 4157 B13R1.511 NC(=O)CSc1ccc(c(c1)N)Br 62a_100000747473_100000750456 [0,1,0,0,0,1|2,0,0]=4 4158 B13R1.511 NC(=O)CSc1ccc(c(c1)N)Br 62a_100000750456_100000747473 [0,1,0,0,0,1|2,0,0]=4 4159 B13R1.511 NC(=O)CSc1ccc(c(c1)N)Cl 62a_100000747473_200000761891 [0,1,0,0,0,1|2,0,0]=4 4160 B13R1.511 NC(=O)CSc1ccc(c(c1)N)Cl 62a_200000761891_100000747473 [0,1,0,0,0,1|2,0,0]=4 4161 B13R1.511 NC(=O)CSc1ccc(c(c1)N)F 62a_100000740924_100000747473 [0,1,0,0,0,1|2,0,0]=4 4162 B13R1.511 NC(=O)CSc1ccc(c(c1)N)F 62a_100000747473_100000740924 [0,1,0,0,0,1|2,0,0]=4 4163 B13R1.511 NC(=O)CSc1ccc(c(c1)N)N 62a_100000741789_100000747473 [0,1,0,0,0,1|2,0,0]=4 4164 B13R1.511 NC(=O)CSc1ccc(c(c1)N)N 62a_100000747473_100011534411 [0,1,0,0,0,1|2,0,0]=4 4165 B13R1.511 NC(=O)CSc1ccc(c(c1)N)O 62a_100000747473_100000752626 [0,1,0,0,0,1|1,0,0]=3 4166 B13R1.511 NC(=O)CSc1ccc(c(c1)N)O 62a_100000752626_100000747473 [0,1,0,0,0,1|1,0,0]=3 4167 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Br 62a_100000747473_100012356990 [0,1,0,0,0,1|2,0,0]=4 4168 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Br 62a_100012356990_100000747473 [0,1,0,0,0,1|2,0,0]=4 4169 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Cl 62a_100000747473_100011356854 [0,1,0,0,0,1|2,0,0]=4 4170 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000747473 [0,1,0,0,0,1|2,0,0]=4 4171 B13R1.511 NC(=O)CSc1ccc(c(c1)O)F 62a_100000686035_100000747473 [0,1,0,0,0,1|2,0,0]=4 4172 B13R1.511 NC(=O)CSc1ccc(c(c1)O)F 62a_100000747473_100000686035 [0,1,0,0,0,1|2,0,0]=4 4173 B13R1.511 NC(=O)CSc1ccc(c(c1)O)N 62a_100000739049_100000747473 [0,1,0,0,0,1|2,0,0]=4 4174 B13R1.511 NC(=O)CSc1ccc(c(c1)O)N 62a_100000747473_100000739049 [0,1,0,0,0,1|2,0,0]=4 4175 B13R1.511 NC(=O)CSc1ccc(c(c1)O)O 62a_100000747473_100009813601 [0,1,0,0,0,1|1,0,0]=3 4176 B13R1.511 NC(=O)CSc1ccc(c(n1)Br)O 62a_100000725334_100000747473 [0,1,0,0,0,1|2,0,0]=4 4177 B13R1.511 NC(=O)CSc1ccc(c(n1)Br)O 62a_100000747473_100000725334 [0,1,0,0,0,1|2,0,0]=4 4178 B13R1.511 NC(=O)CSc1ccc(c(n1)Cl)O 62a_100000747473_100000721234 [0,1,0,0,0,1|2,0,0]=4 4179 B13R1.511 NC(=O)CSc1ccc(c(n1)F)O 62a_100000747473_100009819667 [0,1,0,0,0,1|2,0,0]=4 4180 B13R1.511 NC(=O)CSc1ccc(c(n1)F)O 62a_100009819667_100000747473 [0,1,0,0,0,1|2,0,0]=4 4181 B13R1.511 NC(=O)CSc1ccc(c(n1)N)O 62a_100000685527_100000747473 [0,1,0,0,0,1|2,0,0]=4 4182 B13R1.511 NC(=O)CSc1ccc(c(n1)N)O 62a_100000747473_100000685527 [0,1,0,0,0,1|2,0,0]=4 4183 B13R1.511 NC(=O)CSc1cnc(c(c1)Cl)O 62a_100000747473_100010238531 [0,1,0,0,0,1|2,0,0]=4 4184 B13R1.511 NC(=O)CSc1cnc(c(c1)Cl)O 62a_100010238531_100000747473 [0,1,0,0,0,1|2,0,0]=4 4185 B13R1.511 NC(=O)CSc1cnc(c(c1)N)O 62a_100000743729_100000747473 [0,1,0,0,0,1|2,0,0]=4 4186 B13R1.511 NC(=O)CSc1cnc(c(c1)N)O 62a_100000747473_100000743729 [0,1,0,0,0,1|2,0,0]=4 4187 B13R1.511 Nc1cc(ccc1Br)OCC(=O)[O-] 34a_100011999798_100020667443 [0,1,0,0,0,1|1,0,1]=4 4188 B13R1.511 Nc1cc(ccc1Br)SCC(=O)[O-] 62a_100000750456_100020667443 [0,1,0,0,0,1|1,0,1]=4 4189 B13R1.511 Nc1cc(ccc1Br)SCC(=O)[O-] 62a_100020667443_100000750456 [0,1,0,0,0,1|1,0,1]=4 4190 B13R1.511 Nc1cc(ccc1Cl)OCC(=O)[O-] 34a_100011934297_100020667443 [0,1,0,0,0,1|1,0,1]=4 4191 B13R1.511 Nc1cc(ccc1Cl)SCC(=O)[O-] 62a_100020667443_200000761891 [0,1,0,0,0,1|1,0,1]=4 4192 B13R1.511 Nc1cc(ccc1Cl)SCC(=O)[O-] 62a_200000761891_100020667443 [0,1,0,0,0,1|1,0,1]=4 4193 B13R1.511 Nc1cc(ccc1F)OCC(=O)[O-] 34a_100012017239_100020667443 [0,1,0,0,0,1|1,0,1]=4 4194 B13R1.511 Nc1cc(ccc1F)SCC(=O)[O-] 62a_100000740924_100020667443 [0,1,0,0,0,1|1,0,1]=4 4195 B13R1.511 Nc1cc(ccc1F)SCC(=O)[O-] 62a_100020667443_100000740924 [0,1,0,0,0,1|1,0,1]=4 4196 B13R1.511 Nc1cc(ccc1O)SCC(=O)[O-] 62a_100000752626_100020667443 [0,1,0,0,0,1|0,0,1]=3 4197 B13R1.511 Nc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000752626 [0,1,0,0,0,1|0,0,1]=3 4198 B13R1.511 Nc1cc(ccc1O)SC[N+](=O)[O-] 62a_100000752626_100000761209 [0,1,0,0,0,1|1,0,1]=4 4199 B13R1.511 Nc1cc(cnc1O)SCC(=O)[O-] 62a_100000743729_100020667443 [0,1,0,0,0,1|1,0,1]=4 4200 B13R1.511 Nc1cc(cnc1O)SCC(=O)[O-] 62a_100020667443_100000743729 [0,1,0,0,0,1|1,0,1]=4 4201 B13R1.511 Nc1cc(ncc1O)SCC(=O)[O-] 62a_100009819941_100020667443 [0,1,0,0,0,1|1,0,1]=4 4202 B13R1.511 Nc1cc(ncc1O)SCC(=O)[O-] 62a_100020667443_100009819941 [0,1,0,0,0,1|1,0,1]=4 4203 B13R1.511 Nc1ccc(cc1Br)OCC(=O)[O-] 34a_100012001276_100020667443 [0,1,0,0,0,1|1,0,1]=4 4204 B13R1.511 Nc1ccc(cc1Br)SCC(=O)[O-] 62a_100000750455_100020667443 [0,1,0,0,0,1|1,0,1]=4 4205 B13R1.511 Nc1ccc(cc1Br)SCC(=O)[O-] 62a_100020667443_100000750455 [0,1,0,0,0,1|1,0,1]=4 4206 B13R1.511 Nc1ccc(cc1Cl)OCC(=O)[O-] 34a_100011215599_100020667443 [0,1,0,0,0,1|1,0,1]=4 4207 B13R1.511 Nc1ccc(cc1Cl)SCC(=O)[O-] 62a_100011218065_100020667443 [0,1,0,0,0,1|1,0,1]=4 4208 B13R1.511 Nc1ccc(cc1Cl)SCC(=O)[O-] 62a_100020667443_100011218065 [0,1,0,0,0,1|1,0,1]=4 4209 B13R1.511 Nc1ccc(cc1F)OCC(=O)[O-] 34a_100000759473_100020667443 [0,1,0,0,0,1|1,0,1]=4 4210 B13R1.511 Nc1ccc(cc1F)SCC(=O)[O-] 62a_100011215594_100020667443 [0,1,0,0,0,1|1,0,1]=4 4211 B13R1.511 Nc1ccc(cc1F)SCC(=O)[O-] 62a_100020667443_100011215594 [0,1,0,0,0,1|1,0,1]=4 4212 B13R1.511 Nc1ccc(cc1I)OCC(=O)[O-] 34a_100010084370_100020667443 [0,1,0,0,0,1|1,0,1]=4 4213 B13R1.511 Nc1ccc(cc1N)OCC(=O)[O-] 34a_100025771000_100020667443 [0,1,0,0,0,1|1,0,1]=4 4214 B13R1.511 Nc1ccc(cc1N)SCC(=O)[O-] 62a_100000741789_100020667443 [0,1,0,0,0,1|1,0,1]=4 4215 B13R1.511 Nc1ccc(cc1N)SCC(=O)[O-] 62a_100020667443_100011534411 [0,1,0,0,0,1|1,0,1]=4 4216 B13R1.511 Nc1ccc(cc1O)SCC(=O)[O-] 62a_100000739049_100020667443 [0,1,0,0,0,1|1,0,1]=4 4217 B13R1.511 Nc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100000739049 [0,1,0,0,0,1|1,0,1]=4 4218 B13R1.511 Nc1nc(ccc1O)SCC(=O)[O-] 62a_100000685527_100020667443 [0,1,0,0,0,1|1,0,1]=4 4219 B13R1.511 Nc1nc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000685527 [0,1,0,0,0,1|1,0,1]=4 4220 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)Br 34a_100011306057_100020667443 [0,1,0,0,0,1|1,0,1]=4 4221 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)Cl 34a_100000686031_100020667443 [0,1,0,0,0,1|1,0,1]=4 4222 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)F 34a_100000760356_100020667443 [0,1,0,0,0,1|1,0,1]=4 4223 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)I 34a_100000750458_100020667443 [0,1,0,0,0,1|1,0,1]=4 4224 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)O 34a_100011534360_100020667443 [0,1,0,0,0,1|0,0,1]=3 4225 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)Br 34a_100000687081_100020667443 [0,1,0,0,0,1|1,0,1]=4 4226 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100020667443 [0,1,0,0,0,1|1,0,1]=4 4227 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)F 34a_100000211060_100020667443 [0,1,0,0,0,1|1,0,1]=4 4228 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)I 34a_100000761885_100020667443 [0,1,0,0,0,1|1,0,1]=4 4229 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)O 34a_100000744943_100020667443 [0,1,0,0,0,1|0,0,1]=3 4230 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)Br 34a_100000759894_100020667443 [0,1,0,0,0,1|1,0,1]=4 4231 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)Cl 34a_100000739366_100020667443 [0,1,0,0,0,1|1,0,1]=4 4232 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)F 34a_100000210724_100020667443 [0,1,0,0,0,1|1,0,1]=4 4233 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)I 34a_100011356925_100020667443 [0,1,0,0,0,1|1,0,1]=4 4234 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)O 34a_100011220035_100020667443 [0,1,0,0,0,1|0,0,1]=3 4235 B13R1.511 O=C([O-])CNc1ccc(c(c1)I)Br 34a_100000750459_100020667443 [0,1,0,0,0,1|1,0,1]=4 4236 B13R1.511 O=C([O-])CNc1ccc(c(c1)I)Cl 34a_100012360549_100020667443 [0,1,0,0,0,1|1,0,1]=4 4237 B13R1.511 O=C([O-])CNc1ccc(c(c1)I)F 34a_114828291077_100020667443 [0,1,0,0,0,1|1,0,1]=4 4238 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)Cl 34a_100011934209_100020667443 [0,1,0,0,0,1|1,0,1]=4 4239 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)F 34a_100012017398_100020667443 [0,1,0,0,0,1|1,0,1]=4 4240 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100020667443 [0,1,0,0,0,1|0,0,1]=3 4241 B13R1.511 O=C([O-])COc1ccc(c(c1)Br)Cl 34a_100011933957_100020667443 [0,1,0,0,0,1|1,0,1]=4 4242 B13R1.511 O=C([O-])COc1ccc(c(c1)Br)F 34a_100000693481_100020667443 [0,1,0,0,0,1|1,0,1]=4 4243 B13R1.511 O=C([O-])COc1ccc(c(c1)Br)I 34a_100000701344_100020667443 [0,1,0,0,0,1|1,0,1]=4 4244 B13R1.511 O=C([O-])COc1ccc(c(c1)Cl)Br 34a_100011215161_100020667443 [0,1,0,0,0,1|1,0,1]=4 4245 B13R1.511 O=C([O-])COc1ccc(c(c1)Cl)Cl 34a_100000211054_100020667443 [0,1,0,0,0,1|1,0,1]=4 4246 B13R1.511 O=C([O-])COc1ccc(c(c1)Cl)F 34a_100000211030_100020667443 [0,1,0,0,0,1|1,0,1]=4 4247 B13R1.511 O=C([O-])COc1ccc(c(c1)Cl)I 34a_100000047559_100020667443 [0,1,0,0,0,1|1,0,1]=4 4248 B13R1.511 O=C([O-])COc1ccc(c(c1)F)Br 34a_100000755031_100020667443 [0,1,0,0,0,1|1,0,1]=4 4249 B13R1.511 O=C([O-])COc1ccc(c(c1)F)Cl 34a_100000691581_100020667443 [0,1,0,0,0,1|1,0,1]=4 4250 B13R1.511 O=C([O-])COc1ccc(c(c1)F)F 34a_100000181275_100020667443 [0,1,0,0,0,1|1,0,1]=4 4251 B13R1.511 O=C([O-])COc1ccc(c(c1)F)I 34a_100009990212_100020667443 [0,1,0,0,0,1|1,0,1]=4 4252 B13R1.511 O=C([O-])COc1ccc(c(c1)I)Br 34a_100012339312_100020667443 [0,1,0,0,0,1|1,0,1]=4 4253 B13R1.511 O=C([O-])COc1ccc(c(c1)I)Cl 34a_100000049588_100020667443 [0,1,0,0,0,1|1,0,1]=4 4254 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)Br 62a_100012356285_100020667443 [0,1,0,0,0,1|1,0,1]=4 4255 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)Br 62a_100020667443_100012356285 [0,1,0,0,0,1|1,0,1]=4 4256 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)Cl 62a_100012353702_100020667443 [0,1,0,0,0,1|1,0,1]=4 4257 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)Cl 62a_100020667443_100012353702 [0,1,0,0,0,1|1,0,1]=4 4258 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)F 62a_100012047266_100020667443 [0,1,0,0,0,1|1,0,1]=4 4259 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)F 62a_100020667443_100012047266 [0,1,0,0,0,1|1,0,1]=4 4260 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)O 62a_100012361655_100020667443 [0,1,0,0,0,1|0,0,1]=3 4261 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)O 62a_100020667443_100012361655 [0,1,0,0,0,1|0,0,1]=3 4262 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)Br 62a_100012047281_100020667443 [0,1,0,0,0,1|1,0,1]=4 4263 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)Br 62a_100020667443_100012047281 [0,1,0,0,0,1|1,0,1]=4 4264 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100020667443 [0,1,0,0,0,1|1,0,1]=4 4265 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)Cl 62a_100020667443_100011214914 [0,1,0,0,0,1|1,0,1]=4 4266 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)F 62a_100011215976_100020667443 [0,1,0,0,0,1|1,0,1]=4 4267 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)F 62a_100020667443_100011215976 [0,1,0,0,0,1|1,0,1]=4 4268 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)O 62a_100012360047_100020667443 [0,1,0,0,0,1|0,0,1]=3 4269 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)O 62a_100020667443_100012360047 [0,1,0,0,0,1|0,0,1]=3 4270 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)Br 62a_100000685389_100020667443 [0,1,0,0,0,1|1,0,1]=4 4271 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)Br 62a_100020667443_100000685389 [0,1,0,0,0,1|1,0,1]=4 4272 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)Cl 62a_100011216805_100020667443 [0,1,0,0,0,1|1,0,1]=4 4273 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)Cl 62a_100020667443_100011216805 [0,1,0,0,0,1|1,0,1]=4 4274 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)F 62a_100000703953_100020667443 [0,1,0,0,0,1|1,0,1]=4 4275 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)F 62a_100020667443_100000703953 [0,1,0,0,0,1|1,0,1]=4 4276 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)O 62a_100000185481_100020667443 [0,1,0,0,0,1|0,0,1]=3 4277 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)O 62a_100020667443_100000185481 [0,1,0,0,0,1|0,0,1]=3 4278 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Br 62a_100012356990_100020667443 [0,1,0,0,0,1|1,0,1]=4 4279 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Br 62a_100020667443_100012356990 [0,1,0,0,0,1|1,0,1]=4 4280 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Cl 62a_100011356854_100020667443 [0,1,0,0,0,1|1,0,1]=4 4281 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Cl 62a_100020667443_100011356854 [0,1,0,0,0,1|1,0,1]=4 4282 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)F 62a_100000686035_100020667443 [0,1,0,0,0,1|1,0,1]=4 4283 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)F 62a_100020667443_100000686035 [0,1,0,0,0,1|1,0,1]=4 4284 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)O 62a_100020667443_100009813601 [0,1,0,0,0,1|0,0,1]=3 4285 B13R1.511 O=C([O-])CSc1ccc(c(n1)Br)O 62a_100000725334_100020667443 [0,1,0,0,0,1|1,0,1]=4 4286 B13R1.511 O=C([O-])CSc1ccc(c(n1)Br)O 62a_100020667443_100000725334 [0,1,0,0,0,1|1,0,1]=4 4287 B13R1.511 O=C([O-])CSc1ccc(c(n1)Cl)O 62a_100020667443_100000721234 [0,1,0,0,0,1|1,0,1]=4 4288 B13R1.511 O=C([O-])CSc1ccc(c(n1)F)O 62a_100009819667_100020667443 [0,1,0,0,0,1|1,0,1]=4 4289 B13R1.511 O=C([O-])CSc1ccc(c(n1)F)O 62a_100020667443_100009819667 [0,1,0,0,0,1|1,0,1]=4 4290 B13R1.511 O=C([O-])CSc1cnc(c(c1)Cl)O 62a_100010238531_100020667443 [0,1,0,0,0,1|1,0,1]=4 4291 B13R1.511 O=C([O-])CSc1cnc(c(c1)Cl)O 62a_100020667443_100010238531 [0,1,0,0,0,1|1,0,1]=4 4292 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Br)O 34a_100011534360_100000761209 [0,1,0,0,0,1|1,0,1]=4 4293 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Cl)O 34a_100000744943_100000761209 [0,1,0,0,0,1|1,0,1]=4 4294 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)F)O 34a_100011220035_100000761209 [0,1,0,0,0,1|1,0,1]=4 4295 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100000761209 [0,1,0,0,0,1|1,0,1]=4 4296 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Br)O 62a_100012361655_100000761209 [0,1,0,0,0,1|1,0,1]=4 4297 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Cl)O 62a_100012360047_100000761209 [0,1,0,0,0,1|1,0,1]=4 4298 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)F)O 62a_100000185481_100000761209 [0,1,0,0,0,1|1,0,1]=4 4299 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200025704644 [0,1,0,0,0,1|1,0,1]=4 4300 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200025704644 [0,1,0,0,0,1|1,0,1]=4 4301 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Br)F 1458a_100011308364_200025704644 [0,1,0,0,0,1|2,0,0]=4 4302 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)Br 1458a_100009812081_200025704644 [0,1,0,0,0,1|2,0,0]=4 4303 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000735579_200025704644 [0,1,0,0,0,1|2,0,0]=4 4304 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)F 1458a_100011218152_200025704644 [0,1,0,0,0,1|2,0,0]=4 4305 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)Br 1458a_100010146367_200025704644 [0,1,0,0,0,1|2,0,0]=4 4306 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)Cl 1458a_100011518922_200025704644 [0,1,0,0,0,1|2,0,0]=4 4307 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)F 1458a_100000737970_200025704644 [0,1,0,0,0,1|2,0,0]=4 4308 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [0,1,0,0,0,1|1,0,0]=3 4309 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)Cl)Cl 1458a_100000191221_200025704644 [0,1,0,0,0,1|2,0,0]=4 4310 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)Cl)F 1458a_100000191248_200025704644 [0,1,0,0,0,1|2,0,0]=4 4311 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)F)Cl 1458a_100012982646_200025704644 [0,1,0,0,0,1|2,0,0]=4 4312 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)F)F 1458a_100000246063_200025704644 [0,1,0,0,0,1|2,0,0]=4 4313 B13R1.511 [13CH3]C(=O)CSc1ccc(c(c1)F)F 1458a_100000204393_200025704644 [0,1,0,0,0,1|2,0,0]=4 4314 B13R1.512 CC(C)(O)CNc1ccc(cc1)O 34a_100000185829_100000764493 [0,1,0,0,0,1|1,0,1]=4 4315 B13R1.512 CC(C)(O)CSc1ccc(cc1)O 62a_100000764493_100000185759 [0,1,0,0,0,1|1,0,1]=4 4316 B13R1.512 NS(=O)(=O)CSc1ccc(cc1)O 62a_100000741382_100000185759 [0,1,0,0,0,1|1,0,1]=4 4317 B13R1.512 O=S(=O)([O-])CNc1ccc(cc1)O 34a_100000185829_100009817235 [0,1,0,0,0,1|1,0,1]=4 4318 B13R1.512 O=S(=O)([O-])CSc1ccc(cc1)O 62a_100009817235_100000185759 [0,1,0,0,0,1|1,0,1]=4 4319 B13R1.5 C#CC(=O)Cc1ccc(cc1)C#C 1458a_100000211873_100000140223 [0,2,0,0,0,0|2,0,0]=4 4320 B13R1.5 C#CC(=O)Cc1ccc(cc1)C#N 1458a_100000211873_100000184898 [0,2,0,0,0,0|2,0,0]=4 4321 B13R1.5 C#CC(=O)Cc1ccc(cc1)C=C 1458a_100000211873_100000034074 [0,2,0,0,0,0|2,0,0]=4 4322 B13R1.5 C#CC(=O)Cc1ccc(cc1)C=O 1458a_100000211873_100000075337 [0,2,0,0,0,0|1,0,1]=4 4323 B13R1.5 C#CC(=O)Cc1ccc(cc1)CC 1458a_100000211873_100000747183 [0,2,0,0,0,0|2,0,0]=4 4324 B13R1.5 C#CC(=O)Cc1ccc(cc1)CO 1458a_100000211873_100000067286 [0,2,0,0,0,0|1,0,0]=3 4325 B13R1.5 C#CC(=O)Cc1ccc(cc1)SC 1458a_100000211873_100000181263 [0,2,0,0,0,0|1,1,0]=4 4326 B13R1.5 C#CC(=O)Cc1ccc(cn1)OC 1458a_100000211873_200000757186 [0,2,0,0,0,0|2,0,0]=4 4327 B13R1.5 C#CC(=O)Cc1ccc(nc1)OC 1458a_100000211873_100020631284 [0,2,0,0,0,0|2,0,0]=4 4328 B13R1.5 C#Cc1ccc(cc1)CC(=O)C=C 1458a_100000185746_100000140223 [0,2,0,0,0,0|2,0,0]=4 4329 B13R1.5 C#Cc1ccc(cc1)CC(=O)CC 1458a_100000210414_100000140223 [0,2,0,0,0,0|2,0,0]=4 4330 B13R1.5 C#Cc1ccc(cc1)CC(=O)CC 1458a_200009884166_100000210202 [0,2,0,0,0,0|2,0,0]=4 4331 B13R1.5 C#Cc1ccc(cc1)CC(=O)CF 1458a_200009884166_100015361967 [0,2,0,0,0,0|2,0,0]=4 4332 B13R1.5 C#Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000140223 [0,2,0,0,0,0|1,0,0]=3 4333 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 11a_106832991635_200009884166 [0,2,0,0,0,0|2,0,0]=4 4334 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 1626a_100102657272_200009884166 [0,2,0,0,0,0|2,0,0]=4 4335 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 240690a_100102657272_200009884166 [0,2,0,0,0,0|2,0,0]=4 4336 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 527a_100102657272_200009884166 [0,2,0,0,0,0|2,0,0]=4 4337 B13R1.5 C#Cc1ccc(cc1)NC(=O)CO 22a_100011215031_100000210174 [0,2,0,0,0,0|2,0,0]=4 4338 B13R1.5 C#Cc1ccc(cc1)NC(=O)CO 527a_100011215031_100000210174 [0,2,0,0,0,0|2,0,0]=4 4339 B13R1.5 C=CC(=O)Cc1ccc(cc1)C#N 1458a_100000185746_100000184898 [0,2,0,0,0,0|2,0,0]=4 4340 B13R1.5 C=CC(=O)Cc1ccc(cc1)C=C 1458a_100000185746_100000034074 [0,2,0,0,0,0|2,0,0]=4 4341 B13R1.5 C=CC(=O)Cc1ccc(cc1)C=O 1458a_100000185746_100000075337 [0,2,0,0,0,0|1,0,1]=4 4342 B13R1.5 C=CC(=O)Cc1ccc(cc1)CC 1458a_100000185746_100000747183 [0,2,0,0,0,0|2,0,0]=4 4343 B13R1.5 C=CC(=O)Cc1ccc(cc1)CO 1458a_100000185746_100000067286 [0,2,0,0,0,0|1,0,0]=3 4344 B13R1.5 C=CC(=O)Cc1ccc(cc1)SC 1458a_100000185746_100000181263 [0,2,0,0,0,0|1,1,0]=4 4345 B13R1.5 C=CC(=O)Cc1ccc(cn1)OC 1458a_100000185746_200000757186 [0,2,0,0,0,0|2,0,0]=4 4346 B13R1.5 C=CC(=O)Cc1ccc(nc1)OC 1458a_100000185746_100020631284 [0,2,0,0,0,0|2,0,0]=4 4347 B13R1.5 C=CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000185746 [0,2,0,0,0,0|2,0,0]=4 4348 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000185746 [0,2,0,0,0,0|2,0,0]=4 4349 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000185746 [0,2,0,0,0,0|2,0,0]=4 4350 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 34a_100011235904_200000210301 [0,2,0,0,0,0|2,0,0]=4 4351 B13R1.5 C=CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235904_200025704644 [0,2,0,0,0,0|2,0,0]=4 4352 B13R1.5 C=Cc1ccc(cc1)CC(=O)CC 1458a_100000210414_100000034074 [0,2,0,0,0,0|2,0,0]=4 4353 B13R1.5 C=Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000034074 [0,2,0,0,0,0|1,0,0]=3 4354 B13R1.5 C=Cc1ccc(cc1)CC(=O)NC 271570a_100011290941_100000155101 [0,2,0,0,0,0|2,0,0]=4 4355 B13R1.5 C=Cc1ccc(cc1)CC(=O)OC 271570a_100011290941_100000149743 [0,2,0,0,0,0|1,0,0]=3 4356 B13R1.5 C=Cc1ccc(cc1)NC(=O)CO 22a_100011218248_100000210174 [0,2,0,0,0,0|2,0,0]=4 4357 B13R1.5 C=Cc1ccc(cc1)NC(=O)CO 527a_100011218248_100000210174 [0,2,0,0,0,0|2,0,0]=4 4358 B13R1.5 C=Cc1ccc(cc1)NC(=O)OC 271570a_100011290941_100000181880 [0,2,0,0,0,0|2,0,0]=4 4359 B13R1.5 C=Cc1ccc(cn1)CC(=O)OC 271570a_100011290941_100000071674 [0,2,0,0,0,0|2,0,0]=4 4360 B13R1.5 C=Cc1ccc(nc1)CC(=O)OC 271570a_100011290941_100012362609 [0,2,0,0,0,0|2,0,0]=4 4361 B13R1.5 CCC(=O)Cc1ccc(cc1)C#N 1458a_100000210414_100000184898 [0,2,0,0,0,0|2,0,0]=4 4362 B13R1.5 CCC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_100000210202 [0,2,0,0,0,0|2,0,0]=4 4363 B13R1.5 CCC(=O)Cc1ccc(cc1)C=O 1458a_100000210414_100000075337 [0,2,0,0,0,0|1,0,1]=4 4364 B13R1.5 CCC(=O)Cc1ccc(cc1)CC 1458a_100000210414_100000747183 [0,2,0,0,0,0|2,0,0]=4 4365 B13R1.5 CCC(=O)Cc1ccc(cc1)CC 1458a_200000759805_100000210202 [0,2,0,0,0,0|2,0,0]=4 4366 B13R1.5 CCC(=O)Cc1ccc(cc1)CO 1458a_100000210414_100000067286 [0,2,0,0,0,0|1,0,0]=3 4367 B13R1.5 CCC(=O)Cc1ccc(cc1)CO 1458a_100011356463_100000210202 [0,2,0,0,0,0|1,0,0]=3 4368 B13R1.5 CCC(=O)Cc1ccc(cc1)OC 1458a_100000210706_100000210202 [0,2,0,0,0,0|1,0,0]=3 4369 B13R1.5 CCC(=O)Cc1ccc(cc1)SC 1458a_100000210414_100000181263 [0,2,0,0,0,0|1,1,0]=4 4370 B13R1.5 CCC(=O)Cc1ccc(cc1)SC 1458a_100000756958_100000210202 [0,2,0,0,0,0|1,1,0]=4 4371 B13R1.5 CCC(=O)Cc1ccc(cn1)OC 1458a_100000210414_200000757186 [0,2,0,0,0,0|2,0,0]=4 4372 B13R1.5 CCC(=O)Cc1ccc(cn1)OC 1458a_100000722272_100000210202 [0,2,0,0,0,0|2,0,0]=4 4373 B13R1.5 CCC(=O)Cc1ccc(nc1)OC 1458a_100000210414_100020631284 [0,2,0,0,0,0|2,0,0]=4 4374 B13R1.5 CCC(=O)Cc1ccc(nc1)OC 1458a_100012001117_100000210202 [0,2,0,0,0,0|2,0,0]=4 4375 B13R1.5 CCC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000210414 [0,2,0,0,0,0|2,0,0]=4 4376 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 11a_100000184247_100000210414 [0,2,0,0,0,0|2,0,0]=4 4377 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000210414 [0,2,0,0,0,0|2,0,0]=4 4378 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000210414 [0,2,0,0,0,0|2,0,0]=4 4379 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 34a_200000243810_200000210301 [0,2,0,0,0,0|2,0,0]=4 4380 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 527a_100000184247_100000210414 [0,2,0,0,0,0|2,0,0]=4 4381 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 7a_200000243810_200000210301 [0,2,0,0,0,0|2,0,0]=4 4382 B13R1.5 CCC(=O)Nc1ccc(cc1)O[13CH3] 34a_200000243810_200025704644 [0,2,0,0,0,0|2,0,0]=4 4383 B13R1.5 CCC(=O)Nc1ccc(cc1)O[13CH3] 7a_200000243810_200025704644 [0,2,0,0,0,0|2,0,0]=4 4384 B13R1.5 CCc1ccc(cc1)CC(=O)CF 1458a_200000759805_100015361967 [0,2,0,0,0,0|2,0,0]=4 4385 B13R1.5 CCc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000747183 [0,2,0,0,0,0|1,0,0]=3 4386 B13R1.5 CCc1ccc(cc1)CC(=O)NC 11a_106832991635_200000759805 [0,2,0,0,0,0|2,0,0]=4 4387 B13R1.5 CCc1ccc(cc1)CC(=O)NC 1626a_100102657272_200000759805 [0,2,0,0,0,0|2,0,0]=4 4388 B13R1.5 CCc1ccc(cc1)CC(=O)NC 240690a_100102657272_200000759805 [0,2,0,0,0,0|2,0,0]=4 4389 B13R1.5 CCc1ccc(cc1)CC(=O)NC 527a_100102657272_200000759805 [0,2,0,0,0,0|2,0,0]=4 4390 B13R1.5 CCc1ccc(cc1)NC(=O)CO 22a_100000211069_100000210174 [0,2,0,0,0,0|2,0,0]=4 4391 B13R1.5 CCc1ccc(cc1)NC(=O)CO 527a_100000211069_100000210174 [0,2,0,0,0,0|2,0,0]=4 4392 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 11a_106832991635_100000748677 [0,2,0,0,0,0|2,0,0]=4 4393 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 1626a_100102657272_100000748677 [0,2,0,0,0,0|2,0,0]=4 4394 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 240690a_100102657272_100000748677 [0,2,0,0,0,0|2,0,0]=4 4395 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 527a_100102657272_100000748677 [0,2,0,0,0,0|2,0,0]=4 4396 B13R1.5 CNC(=O)Cc1ccc(cc1)CO 240690a_100102657272_100011356463 [0,2,0,0,0,0|1,0,0]=3 4397 B13R1.5 CNC(=O)Cc1ccc(cc1)NC 2230a_100000736799_200000210301 [0,2,0,0,0,0|2,0,0]=4 4398 B13R1.5 CNC(=O)Cc1ccc(cc1)NC 34a_100000736799_200000210301 [0,2,0,0,0,0|2,0,0]=4 4399 B13R1.5 CNC(=O)Cc1ccc(cc1)N[13CH3] 2230a_100000736799_200025704644 [0,2,0,0,0,0|2,0,0]=4 4400 B13R1.5 CNC(=O)Cc1ccc(cc1)N[13CH3] 34a_100000736799_200025704644 [0,2,0,0,0,0|2,0,0]=4 4401 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 11a_106832991635_100000210706 [0,2,0,0,0,0|1,0,0]=3 4402 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 240690a_100102657272_100000210706 [0,2,0,0,0,0|1,0,0]=3 4403 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 34a_200000020795_200000210301 [0,2,0,0,0,0|1,0,0]=3 4404 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 527a_100102657272_100000210706 [0,2,0,0,0,0|1,0,0]=3 4405 B13R1.5 CNC(=O)Cc1ccc(cc1)O[13CH3] 34a_200000020795_200025704644 [0,2,0,0,0,0|1,0,0]=3 4406 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 11a_106832991635_100000756958 [0,2,0,0,0,0|1,1,0]=4 4407 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 1626a_100102657272_100000756958 [0,2,0,0,0,0|1,1,0]=4 4408 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 240690a_100102657272_100000756958 [0,2,0,0,0,0|1,1,0]=4 4409 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 527a_100102657272_100000756958 [0,2,0,0,0,0|1,1,0]=4 4410 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 62a_100000155101_200000210301 [0,2,0,0,0,0|1,1,0]=4 4411 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000155101 [0,2,0,0,0,0|1,1,0]=4 4412 B13R1.5 CNC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000155101_200025704644 [0,2,0,0,0,0|1,1,0]=4 4413 B13R1.5 CNC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000155101 [0,2,0,0,0,0|1,1,0]=4 4414 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 11a_106832991635_100000722272 [0,2,0,0,0,0|2,0,0]=4 4415 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 240690a_100102657272_100000722272 [0,2,0,0,0,0|2,0,0]=4 4416 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 527a_100102657272_100000722272 [0,2,0,0,0,0|2,0,0]=4 4417 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 11a_106832991635_100012001117 [0,2,0,0,0,0|2,0,0]=4 4418 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 240690a_100102657272_100012001117 [0,2,0,0,0,0|2,0,0]=4 4419 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 527a_100102657272_100012001117 [0,2,0,0,0,0|2,0,0]=4 4420 B13R1.5 CNC(=O)Nc1ccc(cc1)CO 2430a_100011215238_100102657272 [0,2,0,0,0,0|2,0,0]=4 4421 B13R1.5 CNC(=O)Nc1ccc(cc1)OC 2430a_100000184247_100102657272 [0,2,0,0,0,0|2,0,0]=4 4422 B13R1.5 CNc1ccc(cc1)NC(=O)CO 34a_100011269904_200000210301 [0,2,0,0,0,0|2,0,0]=4 4423 B13R1.5 COC(=O)Cc1ccc(cc1)OC 34a_100000211648_200000210301 [0,2,0,0,0,0|0,0,0]=2 4424 B13R1.5 COC(=O)Cc1ccc(cc1)O[13CH3] 34a_100000211648_200025704644 [0,2,0,0,0,0|0,0,0]=2 4425 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_100000149743_200000210301 [0,2,0,0,0,0|0,1,0]=3 4426 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000149743 [0,2,0,0,0,0|0,1,0]=3 4427 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000149743_200025704644 [0,2,0,0,0,0|0,1,0]=3 4428 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000149743 [0,2,0,0,0,0|0,1,0]=3 4429 B13R1.5 COC(=O)Cc1ccc(cn1)SC 62a_100012362609_200000210301 [0,2,0,0,0,0|1,1,0]=4 4430 B13R1.5 COC(=O)Cc1ccc(cn1)SC 62a_200000210301_100012362609 [0,2,0,0,0,0|1,1,0]=4 4431 B13R1.5 COC(=O)Cc1ccc(cn1)S[13CH3] 62a_100012362609_200025704644 [0,2,0,0,0,0|1,1,0]=4 4432 B13R1.5 COC(=O)Cc1ccc(cn1)S[13CH3] 62a_200025704644_100012362609 [0,2,0,0,0,0|1,1,0]=4 4433 B13R1.5 COC(=O)Cc1ccc(nc1)SC 62a_100000071674_200000210301 [0,2,0,0,0,0|1,1,0]=4 4434 B13R1.5 COC(=O)Cc1ccc(nc1)SC 62a_200000210301_100000071674 [0,2,0,0,0,0|1,1,0]=4 4435 B13R1.5 COC(=O)Cc1ccc(nc1)S[13CH3] 62a_100000071674_200025704644 [0,2,0,0,0,0|1,1,0]=4 4436 B13R1.5 COC(=O)Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000071674 [0,2,0,0,0,0|1,1,0]=4 4437 B13R1.5 COC(=O)Nc1ccc(cc1)OC 34a_100011235918_200000210301 [0,2,0,0,0,0|1,0,0]=3 4438 B13R1.5 COC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235918_200025704644 [0,2,0,0,0,0|1,0,0]=3 4439 B13R1.5 COC(=O)Nc1ccc(cc1)SC 62a_200000210301_100000181880 [0,2,0,0,0,0|1,1,0]=4 4440 B13R1.5 COC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000181880 [0,2,0,0,0,0|1,1,0]=4 4441 B13R1.5 COc1ccc(cc1)CC(=O)CF 1458a_100000210706_100015361967 [0,2,0,0,0,0|1,0,0]=3 4442 B13R1.5 COc1ccc(cc1)CC(=O)NN 34a_100000020777_200000210301 [0,2,0,0,0,0|1,0,0]=3 4443 B13R1.5 COc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200000210301 [0,2,0,0,0,0|1,0,1]=4 4444 B13R1.5 COc1ccc(cc1)NC(=O)CCl 34a_100000233757_200000210301 [0,2,0,0,0,0|2,0,0]=4 4445 B13R1.5 COc1ccc(cc1)NC(=O)CO 22a_100000184247_100000210174 [0,2,0,0,0,0|1,0,0]=3 4446 B13R1.5 COc1ccc(cc1)NC(=O)CO 527a_100000184247_100000210174 [0,2,0,0,0,0|1,0,0]=3 4447 B13R1.5 COc1ccc(cn1)CC(=O)CF 1458a_100012001117_100015361967 [0,2,0,0,0,0|2,0,0]=4 4448 B13R1.5 COc1ccc(cn1)CC(=O)CO 1458a_100000210174_100020631284 [0,2,0,0,0,0|1,0,0]=3 4449 B13R1.5 COc1ccc(nc1)CC(=O)CF 1458a_100000722272_100015361967 [0,2,0,0,0,0|2,0,0]=4 4450 B13R1.5 COc1ccc(nc1)CC(=O)CO 1458a_100000210174_200000757186 [0,2,0,0,0,0|1,0,0]=3 4451 B13R1.5 CSc1ccc(cc1)CC(=O)CF 1458a_100000756958_100015361967 [0,2,0,0,0,0|1,1,0]=4 4452 B13R1.5 CSc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000181263 [0,2,0,0,0,0|0,1,0]=3 4453 B13R1.5 CSc1ccc(cc1)NC(=O)CO 22a_100000212337_100000210174 [0,2,0,0,0,0|1,1,0]=4 4454 B13R1.5 CSc1ccc(cc1)NC(=O)CO 527a_100000212337_100000210174 [0,2,0,0,0,0|1,1,0]=4 4455 B13R1.5 N#Cc1ccc(cc1)CC(=O)CF 1458a_100000748677_100015361967 [0,2,0,0,0,0|2,0,0]=4 4456 B13R1.5 N#Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000184898 [0,2,0,0,0,0|1,0,0]=3 4457 B13R1.5 N#Cc1ccc(cn1)CC(=O)CO 1458a_100000210174_100009816919 [0,2,0,0,0,0|2,0,0]=4 4458 B13R1.5 N#Cc1ccc(nc1)CC(=O)CO 1458a_100000210174_100000693164 [0,2,0,0,0,0|2,0,0]=4 4459 B13R1.5 O=C(CF)Cc1ccc(cc1)CO 1458a_100011356463_100015361967 [0,2,0,0,0,0|1,0,0]=3 4460 B13R1.5 O=C(CO)Cc1ccc(cc1)CO 1458a_100000210174_100000067286 [0,2,0,0,0,0|0,0,0]=2 4461 B13R1.5 O=C(CO)Nc1ccc(cc1)CO 22a_100011215238_100000210174 [0,2,0,0,0,0|1,0,0]=3 4462 B13R1.5 O=Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000075337 [0,2,0,0,0,0|0,0,1]=3 4463 B13R1.5 [13CH3]Nc1ccc(cc1)NC(=O)CO 34a_100011269904_200025704644 [0,2,0,0,0,0|2,0,0]=4 4464 B13R1.5 [13CH3]Oc1ccc(cc1)CC(=O)NN 34a_100000020777_200025704644 [0,2,0,0,0,0|1,0,0]=3 4465 B13R1.5 [13CH3]Oc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200025704644 [0,2,0,0,0,0|1,0,1]=4 4466 B13R1.5 [13CH3]Oc1ccc(cc1)NC(=O)CCl 34a_100000233757_200025704644 [0,2,0,0,0,0|2,0,0]=4 4467 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)C#N 1458a_100000070787_100012355662 [0,2,0,0,0,0|2,0,0]=4 4468 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 34a_100010141077_200025704644 [0,2,0,0,0,0|1,0,0]=3 4469 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 7a_100010141077_200025704644 [0,2,0,0,0,0|1,0,0]=3 4470 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 34a_200000080089_200025704644 [0,2,0,0,0,0|1,0,0]=3 4471 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 7a_200000080089_200025704644 [0,2,0,0,0,0|1,0,0]=3 4472 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)C#N 1458a_100000070787_100010147163 [0,2,0,0,0,0|2,0,0]=4 4473 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 34a_200000080078_200025704644 [0,2,0,0,0,0|1,0,0]=3 4474 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 7a_200000080078_200025704644 [0,2,0,0,0,0|1,0,0]=3 4475 B13R1.35 CC(=O)Cc1ccc(c(c1)F)C#N 1458a_100000070787_100011217145 [0,2,0,0,0,0|2,0,0]=4 4476 B13R1.35 CC(=O)Cc1ccc(c(c1)F)C#N 1458a_100009864126_200000210301 [0,2,0,0,0,0|2,0,0]=4 4477 B13R1.35 CC(=O)Cc1ccc(c(c1)F)C=O 1458a_100000070787_100010142638 [0,2,0,0,0,0|1,0,1]=4 4478 B13R1.35 CC(=O)Nc1ccc(c(c1)C)CO 22a_100000102464_100000070787 [0,2,0,0,0,0|2,0,0]=4 4479 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 34a_100012186693_200025704644 [0,2,0,0,0,0|2,0,0]=4 4480 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 7a_100012186693_200025704644 [0,2,0,0,0,0|2,0,0]=4 4481 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)CO 22a_100000689119_100000070787 [0,2,0,0,0,0|2,0,0]=4 4482 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 34a_100011215158_200025704644 [0,2,0,0,0,0|2,0,0]=4 4483 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 7a_100011215158_200025704644 [0,2,0,0,0,0|2,0,0]=4 4484 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100000070787_200011397701 [0,2,0,0,0,0|1,0,0]=3 4485 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100011202338_200000210301 [0,2,0,0,0,0|1,0,0]=3 4486 B13R1.35 COc1ccc(cc1Br)CC(=O)C 34a_100010141077_200000210301 [0,2,0,0,0,0|1,0,0]=3 4487 B13R1.35 COc1ccc(cc1Br)CC(=O)C 7a_100010141077_200000210301 [0,2,0,0,0,0|1,0,0]=3 4488 B13R1.35 COc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100011202338_200025704644 [0,2,0,0,0,0|1,0,0]=3 4489 B13R1.35 COc1ccc(cc1Br)NC(=O)C 11a_100000187427_100015343762 [0,2,0,0,0,0|2,0,0]=4 4490 B13R1.35 COc1ccc(cc1Br)NC(=O)C 1626a_100000187427_100015343762 [0,2,0,0,0,0|2,0,0]=4 4491 B13R1.35 COc1ccc(cc1Br)NC(=O)C 22a_100000187427_100000070787 [0,2,0,0,0,0|2,0,0]=4 4492 B13R1.35 COc1ccc(cc1Br)NC(=O)C 527a_100000187427_100103153847 [0,2,0,0,0,0|2,0,0]=4 4493 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100000070787_200011290836 [0,2,0,0,0,0|1,0,0]=3 4494 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100011356478_200000210301 [0,2,0,0,0,0|1,0,0]=3 4495 B13R1.35 COc1ccc(cc1C)CC(=O)C 34a_200000080089_200000210301 [0,2,0,0,0,0|1,0,0]=3 4496 B13R1.35 COc1ccc(cc1C)CC(=O)C 7a_200000080089_200000210301 [0,2,0,0,0,0|1,0,0]=3 4497 B13R1.35 COc1ccc(cc1C)CC(=O)[13CH3] 1458a_100011356478_200025704644 [0,2,0,0,0,0|1,0,0]=3 4498 B13R1.35 COc1ccc(cc1C)NC(=O)C 11a_100000743268_100015343762 [0,2,0,0,0,0|2,0,0]=4 4499 B13R1.35 COc1ccc(cc1C)NC(=O)C 1626a_100000743268_100015343762 [0,2,0,0,0,0|2,0,0]=4 4500 B13R1.35 COc1ccc(cc1C)NC(=O)C 22a_100000743268_100000070787 [0,2,0,0,0,0|2,0,0]=4 4501 B13R1.35 COc1ccc(cc1C)NC(=O)C 34a_100012186693_200000210301 [0,2,0,0,0,0|2,0,0]=4 4502 B13R1.35 COc1ccc(cc1C)NC(=O)C 527a_100000743268_100103153847 [0,2,0,0,0,0|2,0,0]=4 4503 B13R1.35 COc1ccc(cc1C)NC(=O)C 7a_100012186693_200000210301 [0,2,0,0,0,0|2,0,0]=4 4504 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100000070787_100000693707 [0,2,0,0,0,0|1,0,0]=3 4505 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100012026953_200000210301 [0,2,0,0,0,0|1,0,0]=3 4506 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 34a_200000080078_200000210301 [0,2,0,0,0,0|1,0,0]=3 4507 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 7a_200000080078_200000210301 [0,2,0,0,0,0|1,0,0]=3 4508 B13R1.35 COc1ccc(cc1Cl)CC(=O)[13CH3] 1458a_100012026953_200025704644 [0,2,0,0,0,0|1,0,0]=3 4509 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 11a_100000211044_100015343762 [0,2,0,0,0,0|2,0,0]=4 4510 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 1626a_100000211044_100015343762 [0,2,0,0,0,0|2,0,0]=4 4511 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 22a_100000211044_100000070787 [0,2,0,0,0,0|2,0,0]=4 4512 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 34a_100011215158_200000210301 [0,2,0,0,0,0|2,0,0]=4 4513 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 527a_100000211044_100103153847 [0,2,0,0,0,0|2,0,0]=4 4514 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 7a_100011215158_200000210301 [0,2,0,0,0,0|2,0,0]=4 4515 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000070787_100000189595 [0,2,0,0,0,0|1,0,0]=3 4516 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000204603_200000210301 [0,2,0,0,0,0|1,0,0]=3 4517 B13R1.35 COc1ccc(cc1F)CC(=O)[13CH3] 1458a_100000204603_200025704644 [0,2,0,0,0,0|1,0,0]=3 4518 B13R1.35 COc1ccc(cc1F)NC(=O)C 11a_100000740183_100015343762 [0,2,0,0,0,0|2,0,0]=4 4519 B13R1.35 COc1ccc(cc1F)NC(=O)C 1626a_100000740183_100015343762 [0,2,0,0,0,0|2,0,0]=4 4520 B13R1.35 COc1ccc(cc1F)NC(=O)C 22a_100000740183_100000070787 [0,2,0,0,0,0|2,0,0]=4 4521 B13R1.35 COc1ccc(cc1F)NC(=O)C 527a_100000740183_100103153847 [0,2,0,0,0,0|2,0,0]=4 4522 B13R1.35 COc1ccc(cc1I)NC(=O)C 11a_100011356947_100015343762 [0,2,0,0,0,0|2,0,0]=4 4523 B13R1.35 COc1ccc(cc1I)NC(=O)C 1626a_100011356947_100015343762 [0,2,0,0,0,0|2,0,0]=4 4524 B13R1.35 COc1ccc(cc1I)NC(=O)C 22a_100011356947_100000070787 [0,2,0,0,0,0|2,0,0]=4 4525 B13R1.35 COc1ccc(cc1I)NC(=O)C 527a_100011356947_100103153847 [0,2,0,0,0,0|2,0,0]=4 4526 B13R1.35 COc1ccc(cc1O)CC(=O)C 1458a_100000049095_200000210301 [0,2,0,0,0,0|1,0,0]=3 4527 B13R1.35 COc1ccc(cc1O)CC(=O)C 271570a_203496583355_100011493462 [0,2,0,0,0,0|1,0,0]=3 4528 B13R1.35 COc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000049095_200025704644 [0,2,0,0,0,0|1,0,0]=3 4529 B13R1.35 COc1ccc(cc1O)NC(=O)C 22a_100000211920_100000070787 [0,2,0,0,0,0|2,0,0]=4 4530 B13R1.35 COc1ccc(cc1O)NC(=O)C 527a_100000211920_100103153847 [0,2,0,0,0,0|2,0,0]=4 4531 B13R1.35 COc1coc(cc1=O)CC(=O)C 1458a_100000070787_100000081511 [0,2,0,0,0,0|2,0,0]=4 4532 B13R1.35 [13CH3]C(=O)Cc1ccc(c(c1)F)C#N 1458a_100009864126_200025704644 [0,2,0,0,0,0|2,0,0]=4 4533 B13R1.36 CC(=O)N(C)c1ccc(cc1)O[13CH3] 34a_100000743460_200025704644 [0,2,0,0,0,0|2,0,0]=4 4534 B13R1.36 COc1ccc(cc1)C(C)C(=O)C 1458a_100000753396_200000210301 [0,2,0,0,0,0|1,0,0]=3 4535 B13R1.36 COc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000753396_200025704644 [0,2,0,0,0,0|1,0,0]=3 4536 B13R1.36 COc1ccc(cc1)C(O)C(=O)C 1458a_100011218652_200000210301 [0,2,0,0,0,0|1,0,0]=3 4537 B13R1.36 COc1ccc(cc1)C(O)C(=O)[13CH3] 1458a_100011218652_200025704644 [0,2,0,0,0,0|1,0,0]=3 4538 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 11a_100000220023_100015343762 [0,2,0,0,0,0|2,0,0]=4 4539 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 1626a_100000220023_100015343762 [0,2,0,0,0,0|2,0,0]=4 4540 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 22a_100000220023_100000070787 [0,2,0,0,0,0|2,0,0]=4 4541 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 34a_100000743460_200000210301 [0,2,0,0,0,0|2,0,0]=4 4542 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 527a_100000220023_100103153847 [0,2,0,0,0,0|2,0,0]=4 4543 B13R1.142 C=C=Cc1ccc(cc1)CC(=O)C 271570a_100015277604_100000691760 [0,2,0,0,0,0|2,0,0]=4 4544 B13R1.142 C=C=Cc1ccc(cc1)CC(=O)N 271570a_100015277604_100000162331 [0,2,0,0,0,0|2,0,0]=4 4545 B13R1.142 CC(=O)Cc1ccc(cc1)N=[N+]=[N-] 1458a_100010395652_200000210301 [0,2,0,0,0,0|2,0,0]=4 4546 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 34a_100011218180_100015361967 [0,2,0,0,0,0|1,0,0]=3 4547 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 7a_100011218180_100015361967 [0,2,0,0,0,0|1,0,0]=3 4548 B13R1.142 CC(=O)Cc1ccc(cc1)SCF 62a_100000691760_100015361967 [0,2,0,0,0,0|1,1,0]=4 4549 B13R1.142 CC(=O)Cc1ccc(cc1)SCF 62a_100015361967_100000691760 [0,2,0,0,0,0|1,1,0]=4 4550 B13R1.142 CC(=O)Nc1ccc(cc1)CCO 22a_100011204434_100000070787 [0,2,0,0,0,0|2,0,0]=4 4551 B13R1.142 CC(=O)Nc1ccc(cc1)CCO 527a_100011204434_100103153847 [0,2,0,0,0,0|2,0,0]=4 4552 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 34a_100000246270_200025704644 [0,2,0,0,0,0|2,0,0]=4 4553 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 7a_100000246270_200025704644 [0,2,0,0,0,0|2,0,0]=4 4554 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 34a_100000184395_100015361967 [0,2,0,0,0,0|2,0,0]=4 4555 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 7a_100000184395_100015361967 [0,2,0,0,0,0|2,0,0]=4 4556 B13R1.142 CC=Cc1ccc(cc1)CC(=O)C 271570a_100016259895_100000691760 [0,2,0,0,0,0|2,0,0]=4 4557 B13R1.142 CC=Cc1ccc(cc1)CC(=O)N 271570a_100016259895_100000162331 [0,2,0,0,0,0|2,0,0]=4 4558 B13R1.142 CCCc1ccc(cc1)CC(=O)C 1458a_100000070787_100011982809 [0,2,0,0,0,0|2,0,0]=4 4559 B13R1.142 CCCc1ccc(cc1)CC(=O)C 1458a_100000186164_200000210301 [0,2,0,0,0,0|2,0,0]=4 4560 B13R1.142 CCCc1ccc(cc1)CC(=O)[13CH3] 1458a_100000186164_200025704644 [0,2,0,0,0,0|2,0,0]=4 4561 B13R1.142 CCNc1ccc(cc1)CC(=O)N 2230a_100000738315_100000210202 [0,2,0,0,0,0|2,0,0]=4 4562 B13R1.142 CCNc1ccc(cc1)CC(=O)N 34a_100000738315_100000210202 [0,2,0,0,0,0|2,0,0]=4 4563 B13R1.142 CCOc1ccc(cc1)CC(=O)C 1458a_100000183096_200000210301 [0,2,0,0,0,0|1,0,0]=3 4564 B13R1.142 CCOc1ccc(cc1)CC(=O)C 34a_100011218180_100000210202 [0,2,0,0,0,0|1,0,0]=3 4565 B13R1.142 CCOc1ccc(cc1)CC(=O)C 7a_100011218180_100000210202 [0,2,0,0,0,0|1,0,0]=3 4566 B13R1.142 CCOc1ccc(cc1)CC(=O)N 34a_100000020825_100000210202 [0,2,0,0,0,0|1,0,0]=3 4567 B13R1.142 CCOc1ccc(cc1)CC(=O)[13CH3] 1458a_100000183096_200025704644 [0,2,0,0,0,0|1,0,0]=3 4568 B13R1.142 CCOc1ccc(cc1)NC(=O)C 11a_100000739623_100015343762 [0,2,0,0,0,0|2,0,0]=4 4569 B13R1.142 CCOc1ccc(cc1)NC(=O)C 1626a_100000739623_100015343762 [0,2,0,0,0,0|2,0,0]=4 4570 B13R1.142 CCOc1ccc(cc1)NC(=O)C 22a_100000739623_100000070787 [0,2,0,0,0,0|2,0,0]=4 4571 B13R1.142 CCOc1ccc(cc1)NC(=O)C 34a_100000184395_100000210202 [0,2,0,0,0,0|2,0,0]=4 4572 B13R1.142 CCOc1ccc(cc1)NC(=O)C 527a_100000739623_100103153847 [0,2,0,0,0,0|2,0,0]=4 4573 B13R1.142 CCOc1ccc(cc1)NC(=O)C 7a_100000184395_100000210202 [0,2,0,0,0,0|2,0,0]=4 4574 B13R1.142 CCSc1ccc(cc1)CC(=O)C 62a_100000210202_100000691760 [0,2,0,0,0,0|1,1,0]=4 4575 B13R1.142 CCSc1ccc(cc1)CC(=O)C 62a_100000691760_100000210202 [0,2,0,0,0,0|1,1,0]=4 4576 B13R1.142 CCSc1ccc(cc1)CC(=O)N 62a_100000162331_100000210202 [0,2,0,0,0,0|1,1,0]=4 4577 B13R1.142 CCSc1ccc(cc1)CC(=O)N 62a_100000210202_100000162331 [0,2,0,0,0,0|1,1,0]=4 4578 B13R1.142 CNCc1ccc(cc1)CC(=O)O 269956a_100016989728_200000210301 [0,2,0,0,0,0|1,0,0]=3 4579 B13R1.142 COCc1ccc(cc1)CC(=O)C 1458a_100011290826_200000210301 [0,2,0,0,0,0|1,0,0]=3 4580 B13R1.142 COCc1ccc(cc1)CC(=O)[13CH3] 1458a_100011290826_200025704644 [0,2,0,0,0,0|1,0,0]=3 4581 B13R1.142 COCc1ccc(cc1)NC(=O)C 11a_100000694113_100015343762 [0,2,0,0,0,0|2,0,0]=4 4582 B13R1.142 COCc1ccc(cc1)NC(=O)C 1626a_100000694113_100015343762 [0,2,0,0,0,0|2,0,0]=4 4583 B13R1.142 COCc1ccc(cc1)NC(=O)C 22a_100000694113_100000070787 [0,2,0,0,0,0|2,0,0]=4 4584 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100000246270_200000210301 [0,2,0,0,0,0|2,0,0]=4 4585 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100138415774_100000731167 [0,2,0,0,0,0|2,0,0]=4 4586 B13R1.142 COCc1ccc(cc1)NC(=O)C 527a_100000694113_100103153847 [0,2,0,0,0,0|2,0,0]=4 4587 B13R1.142 COCc1ccc(cc1)NC(=O)C 7a_100000246270_200000210301 [0,2,0,0,0,0|2,0,0]=4 4588 B13R1.142 NC(=O)Cc1ccc(cc1)NCF 34a_100000738315_100015361967 [0,2,0,0,0,0|2,0,0]=4 4589 B13R1.142 NC(=O)Cc1ccc(cc1)OCF 34a_100000020825_100015361967 [0,2,0,0,0,0|1,0,0]=3 4590 B13R1.142 NC(=O)Cc1ccc(cc1)SCF 62a_100000162331_100015361967 [0,2,0,0,0,0|1,1,0]=4 4591 B13R1.142 NC(=O)Cc1ccc(cc1)SCF 62a_100015361967_100000162331 [0,2,0,0,0,0|1,1,0]=4 4592 B13R1.142 [13CH3]C(=O)Cc1ccc(cc1)N=[N+]=[N-] 1458a_100010395652_200025704644 [0,2,0,0,0,0|2,0,0]=4 4593 B13R1.142 [13CH3]NCc1ccc(cc1)CC(=O)O 269956a_100016989728_200025704644 [0,2,0,0,0,0|1,0,0]=3 4594 B13R1.585 C=C(C)c1ccc(cc1)CC(=O)C 271570a_100000694244_100000691760 [0,2,0,0,0,0|2,0,0]=4 4595 B13R1.585 C=C(C)c1ccc(cc1)CC(=O)N 271570a_100000694244_100000162331 [0,2,0,0,0,0|2,0,0]=4 4596 B13R1.585 CC(=O)Cc1ccc(cc1)B(O)O 1458a_100000070787_100009813762 [0,2,0,0,0,0|1,0,0]=3 4597 B13R1.585 CC(=O)Cc1ccc(cc1)C(=O)C 1458a_100000070787_100000756337 [0,2,0,0,0,0|1,0,1]=4 4598 B13R1.585 CC(=O)Cc1ccc(cc1)C(=O)N 1458a_100000070787_100000231043 [0,2,0,0,0,0|1,0,1]=4 4599 B13R1.585 CC(=O)Cc1ccc(cc1)C(C)C 1458a_100000070787_100000181262 [0,2,0,0,0,0|2,0,0]=4 4600 B13R1.585 CC(=O)Cc1ccc(cc1)C(C)C 1458a_100000689720_200000210301 [0,2,0,0,0,0|2,0,0]=4 4601 B13R1.585 CC(=O)Cc1ccc(cc1)C(F)F 1458a_100000070787_200012343607 [0,2,0,0,0,0|2,0,0]=4 4602 B13R1.585 CC(=O)Cc1ccc(cc1)N(C)C 1458a_100011218386_200000210301 [0,2,0,0,0,0|2,0,0]=4 4603 B13R1.585 CC(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000070787_100000181861 [0,2,0,0,0,0|1,0,1]=4 4604 B13R1.585 CC(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210908_200000210301 [0,2,0,0,0,0|1,0,1]=4 4605 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)O 22a_100011216399_100000070787 [0,2,0,0,0,0|2,0,0]=4 4606 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)O 527a_100011216399_100103153847 [0,2,0,0,0,0|2,0,0]=4 4607 B13R1.585 CC(C)c1ccc(cc1)CC(=O)[13CH3] 1458a_100000689720_200025704644 [0,2,0,0,0,0|2,0,0]=4 4608 B13R1.585 CN(C)c1ccc(cc1)CC(=O)[13CH3] 1458a_100011218386_200025704644 [0,2,0,0,0,0|2,0,0]=4 4609 B13R1.585 [13CH3]C(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210908_200025704644 [0,2,0,0,0,0|1,0,1]=4 4610 B13R1.653 CC(=O)Cc1ccc(cc1Br)C#N 1458a_100000070787_100000694769 [0,2,0,0,0,0|2,0,0]=4 4611 B13R1.653 CC(=O)Cc1ccc(cc1Cl)C#N 1458a_100000070787_100000709902 [0,2,0,0,0,0|2,0,0]=4 4612 B13R1.653 CC(=O)Cc1ccc(cc1Cl)O[13CH3] 34a_200000084595_200025704644 [0,2,0,0,0,0|1,0,0]=3 4613 B13R1.653 CC(=O)Cc1ccc(cc1Cl)O[13CH3] 7a_200000084595_200025704644 [0,2,0,0,0,0|1,0,0]=3 4614 B13R1.653 CC(=O)Cc1ccc(cc1F)C#N 1458a_100000070787_100000239720 [0,2,0,0,0,0|2,0,0]=4 4615 B13R1.653 CC(=O)Cc1ccc(cc1I)C#N 1458a_100000070787_100010079267 [0,2,0,0,0,0|2,0,0]=4 4616 B13R1.653 CC(=O)Nc1ccc(cc1C)CO 22a_200011997030_100000070787 [0,2,0,0,0,0|2,0,0]=4 4617 B13R1.653 COc1ccc(c(c1)Br)CC(=O)C 1458a_100000070787_100011982828 [0,2,0,0,0,0|1,0,0]=3 4618 B13R1.653 COc1ccc(c(c1)Br)CC(=O)C 1458a_100000238646_200000210301 [0,2,0,0,0,0|1,0,0]=3 4619 B13R1.653 COc1ccc(c(c1)Br)CC(=O)[13CH3] 1458a_100000238646_200025704644 [0,2,0,0,0,0|1,0,0]=3 4620 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 11a_100015195136_100015343762 [0,2,0,0,0,0|2,0,0]=4 4621 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 1626a_100015195136_100015343762 [0,2,0,0,0,0|2,0,0]=4 4622 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 22a_100015195136_100000070787 [0,2,0,0,0,0|2,0,0]=4 4623 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 527a_100015195136_100103153847 [0,2,0,0,0,0|2,0,0]=4 4624 B13R1.653 COc1ccc(c(c1)C)CC(=O)C 1458a_100011996676_200000210301 [0,2,0,0,0,0|1,0,0]=3 4625 B13R1.653 COc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011996676_200025704644 [0,2,0,0,0,0|1,0,0]=3 4626 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 11a_100000750285_100015343762 [0,2,0,0,0,0|2,0,0]=4 4627 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 1626a_100000750285_100015343762 [0,2,0,0,0,0|2,0,0]=4 4628 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 22a_100000750285_100000070787 [0,2,0,0,0,0|2,0,0]=4 4629 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 527a_100000750285_100103153847 [0,2,0,0,0,0|2,0,0]=4 4630 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 1458a_100000070787_200011830453 [0,2,0,0,0,0|1,0,0]=3 4631 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 1458a_100000688043_200000210301 [0,2,0,0,0,0|1,0,0]=3 4632 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 34a_200000084595_200000210301 [0,2,0,0,0,0|1,0,0]=3 4633 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 7a_200000084595_200000210301 [0,2,0,0,0,0|1,0,0]=3 4634 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)[13CH3] 1458a_100000688043_200025704644 [0,2,0,0,0,0|1,0,0]=3 4635 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 11a_100000747055_100015343762 [0,2,0,0,0,0|2,0,0]=4 4636 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 1626a_100000747055_100015343762 [0,2,0,0,0,0|2,0,0]=4 4637 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 22a_100000747055_100000070787 [0,2,0,0,0,0|2,0,0]=4 4638 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 527a_100000747055_100103153847 [0,2,0,0,0,0|2,0,0]=4 4639 B13R1.653 COc1ccc(c(c1)F)CC(=O)C 1458a_100000070787_100011260761 [0,2,0,0,0,0|1,0,0]=3 4640 B13R1.653 COc1ccc(c(c1)F)CC(=O)C 1458a_100000709196_200000210301 [0,2,0,0,0,0|1,0,0]=3 4641 B13R1.653 COc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000709196_200025704644 [0,2,0,0,0,0|1,0,0]=3 4642 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 11a_100011299463_100015343762 [0,2,0,0,0,0|2,0,0]=4 4643 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 1626a_100011299463_100015343762 [0,2,0,0,0,0|2,0,0]=4 4644 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 22a_100011299463_100000070787 [0,2,0,0,0,0|2,0,0]=4 4645 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 527a_100011299463_100103153847 [0,2,0,0,0,0|2,0,0]=4 4646 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 11a_100000049804_100015343762 [0,2,0,0,0,0|2,0,0]=4 4647 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 1626a_100000049804_100015343762 [0,2,0,0,0,0|2,0,0]=4 4648 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 22a_100000049804_100000070787 [0,2,0,0,0,0|2,0,0]=4 4649 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 527a_100000049804_100103153847 [0,2,0,0,0,0|2,0,0]=4 4650 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 22a_100016989039_100000070787 [0,2,0,0,0,0|2,0,0]=4 4651 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 527a_100016989039_100103153847 [0,2,0,0,0,0|2,0,0]=4 4652 B13R1.52 C=Cc1cc(ccc1O)CC(=O)C 271570a_100011290941_100010141077 [0,2,0,0,0,0|1,0,0]=3 4653 B13R1.52 CC(=O)Cc1ccc(c(c1)C#N)Br 1458a_100000070787_100010128727 [0,2,0,0,0,0|2,0,0]=4 4654 B13R1.52 CC(=O)Cc1ccc(c(c1)C#N)Cl 1458a_100000070787_100010147165 [0,2,0,0,0,0|2,0,0]=4 4655 B13R1.52 CC(=O)Cc1ccc(c(c1)C#N)F 1458a_100000070787_100000687583 [0,2,0,0,0,0|2,0,0]=4 4656 B13R1.52 CC(=O)Cc1ccc(c(c1)C#N)F 1458a_100011218018_200000210301 [0,2,0,0,0,0|2,0,0]=4 4657 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010141077_200025704644 [0,2,0,0,0,0|1,0,0]=3 4658 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010141077 [0,2,0,0,0,0|1,0,0]=3 4659 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)O 22a_100011249283_100000070787 [0,2,0,0,0,0|2,0,0]=4 4660 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)O 527a_100011249283_100103153847 [0,2,0,0,0,0|2,0,0]=4 4661 B13R1.52 CC(=O)Oc1ccc(c(c1)C=O)O 271570a_203496583355_100009816906 [0,2,0,0,0,0|2,0,0]=4 4662 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_100000070787_100010110085 [0,2,0,0,0,0|2,0,0]=4 4663 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_200010002685_200000210301 [0,2,0,0,0,0|2,0,0]=4 4664 B13R1.52 COc1cc(ccc1Br)CC(=O)[13CH3] 1458a_200010002685_200025704644 [0,2,0,0,0,0|2,0,0]=4 4665 B13R1.52 COc1cc(ccc1Cl)CC(=O)C 1458a_100000070787_200010214485 [0,2,0,0,0,0|2,0,0]=4 4666 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000070787_100012349856 [0,2,0,0,0,0|2,0,0]=4 4667 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000117344_200000210301 [0,2,0,0,0,0|2,0,0]=4 4668 B13R1.52 COc1cc(ccc1F)CC(=O)[13CH3] 1458a_100000117344_200025704644 [0,2,0,0,0,0|2,0,0]=4 4669 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [0,2,0,0,0,0|1,0,0]=3 4670 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [0,2,0,0,0,0|1,0,0]=3 4671 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [0,2,0,0,0,0|2,0,0]=4 4672 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [0,2,0,0,0,0|2,0,0]=4 4673 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_100010141077_200000210301 [0,2,0,0,0,0|1,0,0]=3 4674 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_200000210301_100010141077 [0,2,0,0,0,0|1,0,0]=3 4675 B13R1.52 [13CH3]C(=O)Cc1ccc(c(c1)C#N)F 1458a_100011218018_200025704644 [0,2,0,0,0,0|2,0,0]=4 4676 B13R1.510 CC(=O)C(O)c1ccc(c(c1)F)F 1458a_100011217530_200000210301 [0,2,0,0,0,0|2,0,0]=4 4677 B13R1.510 CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200000210301 [0,2,0,0,0,0|1,0,0]=3 4678 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)F)F 1458a_100011217530_200025704644 [0,2,0,0,0,0|2,0,0]=4 4679 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200025704644 [0,2,0,0,0,0|1,0,0]=3 4680 B13R1.876 CC(=O)Cc1cc(c(cc1Br)F)F 1458a_100000070787_100010077255 [0,2,0,0,0,0|2,0,0]=4 4681 B13R1.876 CC(=O)Cc1cc(c(cc1Br)F)F 1458a_100009828490_200000210301 [0,2,0,0,0,0|2,0,0]=4 4682 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)Cl)Cl 1458a_100000070787_100010220947 [0,2,0,0,0,0|2,0,0]=4 4683 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)Cl)F 1458a_100000070787_100009813697 [0,2,0,0,0,0|2,0,0]=4 4684 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)Cl)F 1458a_100011219564_200000210301 [0,2,0,0,0,0|2,0,0]=4 4685 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)F)F 1458a_100000062174_200000210301 [0,2,0,0,0,0|2,0,0]=4 4686 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)F)F 1458a_100000070787_100011830393 [0,2,0,0,0,0|2,0,0]=4 4687 B13R1.876 CC(=O)Cc1cc(c(cc1F)Br)F 1458a_100000070787_100012024439 [0,2,0,0,0,0|2,0,0]=4 4688 B13R1.876 CC(=O)Cc1cc(c(cc1F)Br)F 1458a_100010245136_200000210301 [0,2,0,0,0,0|2,0,0]=4 4689 B13R1.876 CC(=O)Cc1cc(c(cc1F)Cl)F 1458a_100000070787_200012361342 [0,2,0,0,0,0|2,0,0]=4 4690 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)C 1458a_100000070787_100012347589 [0,2,0,0,0,0|2,0,0]=4 4691 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)Cl 1458a_100000070787_100010994231 [0,2,0,0,0,0|2,0,0]=4 4692 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)Cl 1458a_100010154639_200000210301 [0,2,0,0,0,0|2,0,0]=4 4693 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)F 1458a_100000070787_100011218792 [0,2,0,0,0,0|2,0,0]=4 4694 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)F 1458a_100000690282_200000210301 [0,2,0,0,0,0|2,0,0]=4 4695 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)I 1458a_100000070787_100019984567 [0,2,0,0,0,0|2,0,0]=4 4696 B13R1.876 CC(=O)Nc1cc(c(cc1Br)O)Br 527a_100011080774_100103153847 [0,2,0,0,0,0|2,0,0]=4 4697 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 11a_100000720036_100015343762 [0,2,0,0,0,0|2,0,0]=4 4698 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 22a_100000720036_100000070787 [0,2,0,0,0,0|2,0,0]=4 4699 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 271570a_203496583355_100009992581 [0,2,0,0,0,0|2,0,0]=4 4700 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 527a_100000720036_100103153847 [0,2,0,0,0,0|2,0,0]=4 4701 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)F 271570a_203496583355_200013212116 [0,2,0,0,0,0|2,0,0]=4 4702 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)O)F 22a_100009886023_100000070787 [0,2,0,0,0,0|2,0,0]=4 4703 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)O)F 527a_100009886023_100103153847 [0,2,0,0,0,0|2,0,0]=4 4704 B13R1.876 CC(=O)Nc1cc(c(cc1F)O)F 22a_100020635945_100000070787 [0,2,0,0,0,0|2,0,0]=4 4705 B13R1.876 CC(=O)Nc1cc(c(cc1F)O)F 271570a_203496583355_200012359909 [0,2,0,0,0,0|2,0,0]=4 4706 B13R1.876 CC(=O)Nc1cc(c(cc1F)O)F 527a_100020635945_100103153847 [0,2,0,0,0,0|2,0,0]=4 4707 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1Br)F)F 1458a_100009828490_200025704644 [0,2,0,0,0,0|2,0,0]=4 4708 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1Cl)Cl)F 1458a_100011219564_200025704644 [0,2,0,0,0,0|2,0,0]=4 4709 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1Cl)F)F 1458a_100000062174_200025704644 [0,2,0,0,0,0|2,0,0]=4 4710 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1F)Br)F 1458a_100010245136_200025704644 [0,2,0,0,0,0|2,0,0]=4 4711 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1F)F)Cl 1458a_100010154639_200025704644 [0,2,0,0,0,0|2,0,0]=4 4712 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1F)F)F 1458a_100000690282_200025704644 [0,2,0,0,0,0|2,0,0]=4 4713 B13R1.2879 C#CC(=O)Cc1cc(=O)c(co1)O 1458a_100000211873_100000010605 [0,2,0,0,0,0|2,0,0]=4 4714 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000211873_100012353900 [0,2,0,0,0,0|2,0,0]=4 4715 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000211873_100012232412 [0,2,0,0,0,0|2,0,0]=4 4716 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000211873_100012353894 [0,2,0,0,0,0|2,0,0]=4 4717 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000211873_100011206884 [0,2,0,0,0,0|2,0,0]=4 4718 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000211873_100000727479 [0,2,0,0,0,0|2,0,0]=4 4719 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)C)C 1458a_100000211873_100000742320 [0,2,0,0,0,0|2,0,0]=4 4720 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000211873_100012184735 [0,2,0,0,0,0|2,0,0]=4 4721 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)C)F 1458a_100000211873_100011216667 [0,2,0,0,0,0|2,0,0]=4 4722 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000211873_100012353895 [0,2,0,0,0,0|2,0,0]=4 4723 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000211873_100011823929 [0,2,0,0,0,0|2,0,0]=4 4724 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000211873_100000184707 [0,2,0,0,0,0|2,0,0]=4 4725 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000211873_100000717365 [0,2,0,0,0,0|2,0,0]=4 4726 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000211873_100012349665 [0,2,0,0,0,0|2,0,0]=4 4727 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000211873_100000767054 [0,2,0,0,0,0|2,0,0]=4 4728 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)F)C 1458a_100000211873_100011217369 [0,2,0,0,0,0|2,0,0]=4 4729 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000211873_100000716492 [0,2,0,0,0,0|2,0,0]=4 4730 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)F)F 1458a_100000211873_100000757363 [0,2,0,0,0,0|2,0,0]=4 4731 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)F)I 1458a_100000211873_100010149604 [0,2,0,0,0,0|2,0,0]=4 4732 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000211873_100010146616 [0,2,0,0,0,0|2,0,0]=4 4733 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)I)C 1458a_100000211873_100010206137 [0,2,0,0,0,0|2,0,0]=4 4734 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)I)F 1458a_100000211873_100010188208 [0,2,0,0,0,0|2,0,0]=4 4735 B13R1.2879 C=CC(=O)Cc1cc(=O)c(co1)O 1458a_100000185746_100000010605 [0,2,0,0,0,0|2,0,0]=4 4736 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000185746_100012353900 [0,2,0,0,0,0|2,0,0]=4 4737 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000185746_100012232412 [0,2,0,0,0,0|2,0,0]=4 4738 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000185746_100012353894 [0,2,0,0,0,0|2,0,0]=4 4739 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000185746_100011206884 [0,2,0,0,0,0|2,0,0]=4 4740 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000185746_100000727479 [0,2,0,0,0,0|2,0,0]=4 4741 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)C 1458a_100000185746_100000742320 [0,2,0,0,0,0|2,0,0]=4 4742 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000185746_100012184735 [0,2,0,0,0,0|2,0,0]=4 4743 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)F 1458a_100000185746_100011216667 [0,2,0,0,0,0|2,0,0]=4 4744 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000185746_100012353895 [0,2,0,0,0,0|2,0,0]=4 4745 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000185746_100011823929 [0,2,0,0,0,0|2,0,0]=4 4746 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000185746_100000184707 [0,2,0,0,0,0|2,0,0]=4 4747 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000185746_100000717365 [0,2,0,0,0,0|2,0,0]=4 4748 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000185746_100012349665 [0,2,0,0,0,0|2,0,0]=4 4749 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000185746_100000767054 [0,2,0,0,0,0|2,0,0]=4 4750 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)C 1458a_100000185746_100011217369 [0,2,0,0,0,0|2,0,0]=4 4751 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000185746_100000716492 [0,2,0,0,0,0|2,0,0]=4 4752 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)F 1458a_100000185746_100000757363 [0,2,0,0,0,0|2,0,0]=4 4753 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)I 1458a_100000185746_100010149604 [0,2,0,0,0,0|2,0,0]=4 4754 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000185746_100010146616 [0,2,0,0,0,0|2,0,0]=4 4755 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)I)C 1458a_100000185746_100010206137 [0,2,0,0,0,0|2,0,0]=4 4756 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)I)F 1458a_100000185746_100010188208 [0,2,0,0,0,0|2,0,0]=4 4757 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000185746 [0,2,0,0,0,0|2,0,0]=4 4758 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000185746 [0,2,0,0,0,0|2,0,0]=4 4759 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000185746 [0,2,0,0,0,0|2,0,0]=4 4760 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000185746 [0,2,0,0,0,0|2,0,0]=4 4761 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000185746 [0,2,0,0,0,0|2,0,0]=4 4762 B13R1.2879 CCC(=O)Cc1cc(=O)c(co1)O 1458a_100000210414_100000010605 [0,2,0,0,0,0|2,0,0]=4 4763 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000210414_100012353900 [0,2,0,0,0,0|2,0,0]=4 4764 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)C 1458a_100000210414_100012232412 [0,2,0,0,0,0|2,0,0]=4 4765 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)C 1458a_100000709925_100000210202 [0,2,0,0,0,0|2,0,0]=4 4766 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000210414_100012353894 [0,2,0,0,0,0|2,0,0]=4 4767 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_100000210202 [0,2,0,0,0,0|2,0,0]=4 4768 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)F 1458a_100000210414_100011206884 [0,2,0,0,0,0|2,0,0]=4 4769 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_100000210202 [0,2,0,0,0,0|2,0,0]=4 4770 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_100000210202 [0,2,0,0,0,0|1,0,0]=3 4771 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)Br 1458a_100000210414_100000727479 [0,2,0,0,0,0|2,0,0]=4 4772 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_100000210202 [0,2,0,0,0,0|2,0,0]=4 4773 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_100000210202 [0,2,0,0,0,0|2,0,0]=4 4774 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)C 1458a_100000210414_100000742320 [0,2,0,0,0,0|2,0,0]=4 4775 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000210414_100012184735 [0,2,0,0,0,0|2,0,0]=4 4776 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)F 1458a_100000210414_100011216667 [0,2,0,0,0,0|2,0,0]=4 4777 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_100000210202 [0,2,0,0,0,0|2,0,0]=4 4778 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_100000210202 [0,2,0,0,0,0|1,0,0]=3 4779 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000210414_100012353895 [0,2,0,0,0,0|2,0,0]=4 4780 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_100000210202 [0,2,0,0,0,0|2,0,0]=4 4781 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000210414_100011823929 [0,2,0,0,0,0|2,0,0]=4 4782 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210414_100000184707 [0,2,0,0,0,0|2,0,0]=4 4783 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_100000210202 [0,2,0,0,0,0|2,0,0]=4 4784 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000210414_100000717365 [0,2,0,0,0,0|2,0,0]=4 4785 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_100000210202 [0,2,0,0,0,0|2,0,0]=4 4786 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000210414_100012349665 [0,2,0,0,0,0|2,0,0]=4 4787 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_100000210202 [0,2,0,0,0,0|1,0,0]=3 4788 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)Br 1458a_100000210414_100000767054 [0,2,0,0,0,0|2,0,0]=4 4789 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_100000210202 [0,2,0,0,0,0|2,0,0]=4 4790 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)C 1458a_100000210414_100011217369 [0,2,0,0,0,0|2,0,0]=4 4791 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)C 1458a_100011217375_100000210202 [0,2,0,0,0,0|2,0,0]=4 4792 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000210414_100000716492 [0,2,0,0,0,0|2,0,0]=4 4793 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_100000210202 [0,2,0,0,0,0|2,0,0]=4 4794 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)F 1458a_100000210414_100000757363 [0,2,0,0,0,0|2,0,0]=4 4795 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_100000210202 [0,2,0,0,0,0|2,0,0]=4 4796 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)I 1458a_100000210414_100010149604 [0,2,0,0,0,0|2,0,0]=4 4797 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_100000210202 [0,2,0,0,0,0|2,0,0]=4 4798 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_100000210202 [0,2,0,0,0,0|1,0,0]=3 4799 B13R1.2879 CCC(=O)Cc1ccc(c(c1)I)Br 1458a_100000210414_100010146616 [0,2,0,0,0,0|2,0,0]=4 4800 B13R1.2879 CCC(=O)Cc1ccc(c(c1)I)C 1458a_100000210414_100010206137 [0,2,0,0,0,0|2,0,0]=4 4801 B13R1.2879 CCC(=O)Cc1ccc(c(c1)I)F 1458a_100000210414_100010188208 [0,2,0,0,0,0|2,0,0]=4 4802 B13R1.2879 CCC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_100000210202 [0,2,0,0,0,0|2,0,0]=4 4803 B13R1.2879 CCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000210202 [0,2,0,0,0,0|1,0,0]=3 4804 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000210414 [0,2,0,0,0,0|2,0,0]=4 4805 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100000210414 [0,2,0,0,0,0|2,0,0]=4 4806 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100000210414 [0,2,0,0,0,0|2,0,0]=4 4807 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000210414 [0,2,0,0,0,0|2,0,0]=4 4808 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100000210414 [0,2,0,0,0,0|2,0,0]=4 4809 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000210414 [0,2,0,0,0,0|2,0,0]=4 4810 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000210414 [0,2,0,0,0,0|2,0,0]=4 4811 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100000210414 [0,2,0,0,0,0|2,0,0]=4 4812 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000210414 [0,2,0,0,0,0|2,0,0]=4 4813 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000210414 [0,2,0,0,0,0|2,0,0]=4 4814 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)C 11a_106832991635_100000709925 [0,2,0,0,0,0|2,0,0]=4 4815 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)C 240690a_100102657272_100000709925 [0,2,0,0,0,0|2,0,0]=4 4816 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)C 527a_100102657272_100000709925 [0,2,0,0,0,0|2,0,0]=4 4817 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)Cl 11a_106832991635_100012349508 [0,2,0,0,0,0|2,0,0]=4 4818 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)Cl 240690a_100102657272_100012349508 [0,2,0,0,0,0|2,0,0]=4 4819 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)Cl 527a_100102657272_100012349508 [0,2,0,0,0,0|2,0,0]=4 4820 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)F 11a_106832991635_100000742997 [0,2,0,0,0,0|2,0,0]=4 4821 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)F 240690a_100102657272_100000742997 [0,2,0,0,0,0|2,0,0]=4 4822 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)F 527a_100102657272_100000742997 [0,2,0,0,0,0|2,0,0]=4 4823 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)O 240690a_100102657272_100009990404 [0,2,0,0,0,0|1,0,0]=3 4824 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)O 527a_100102657272_100009990404 [0,2,0,0,0,0|1,0,0]=3 4825 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)Br 11a_106832991635_100012340274 [0,2,0,0,0,0|2,0,0]=4 4826 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)Br 240690a_100102657272_100012340274 [0,2,0,0,0,0|2,0,0]=4 4827 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)Br 527a_100102657272_100012340274 [0,2,0,0,0,0|2,0,0]=4 4828 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)C 11a_106832991635_100000184070 [0,2,0,0,0,0|2,0,0]=4 4829 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)C 240690a_100102657272_100000184070 [0,2,0,0,0,0|2,0,0]=4 4830 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)C 527a_100102657272_100000184070 [0,2,0,0,0,0|2,0,0]=4 4831 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)F 11a_106832991635_100011667458 [0,2,0,0,0,0|2,0,0]=4 4832 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)F 240690a_100102657272_100011667458 [0,2,0,0,0,0|2,0,0]=4 4833 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)F 527a_100102657272_100011667458 [0,2,0,0,0,0|2,0,0]=4 4834 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)O 240690a_100102657272_100000083968 [0,2,0,0,0,0|1,0,0]=3 4835 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)O 527a_100102657272_100000083968 [0,2,0,0,0,0|1,0,0]=3 4836 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Br 11a_106832991635_100000766880 [0,2,0,0,0,0|2,0,0]=4 4837 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Br 240690a_100102657272_100000766880 [0,2,0,0,0,0|2,0,0]=4 4838 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Br 527a_100102657272_100000766880 [0,2,0,0,0,0|2,0,0]=4 4839 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Cl 11a_106832991635_100000210702 [0,2,0,0,0,0|2,0,0]=4 4840 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Cl 240690a_100102657272_100000210702 [0,2,0,0,0,0|2,0,0]=4 4841 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Cl 527a_100102657272_100000210702 [0,2,0,0,0,0|2,0,0]=4 4842 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 11a_106832991635_100011217296 [0,2,0,0,0,0|2,0,0]=4 4843 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 1626a_100102657272_100011217296 [0,2,0,0,0,0|2,0,0]=4 4844 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 240690a_100102657272_100011217296 [0,2,0,0,0,0|2,0,0]=4 4845 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 527a_100102657272_100011217296 [0,2,0,0,0,0|2,0,0]=4 4846 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)O 240690a_100102657272_100000035197 [0,2,0,0,0,0|1,0,0]=3 4847 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)O 527a_100102657272_100000035197 [0,2,0,0,0,0|1,0,0]=3 4848 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Br 11a_106832991635_100000691132 [0,2,0,0,0,0|2,0,0]=4 4849 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Br 240690a_100102657272_100000691132 [0,2,0,0,0,0|2,0,0]=4 4850 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Br 527a_100102657272_100000691132 [0,2,0,0,0,0|2,0,0]=4 4851 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)C 11a_106832991635_100011217375 [0,2,0,0,0,0|2,0,0]=4 4852 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)C 240690a_100102657272_100011217375 [0,2,0,0,0,0|2,0,0]=4 4853 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)C 527a_100102657272_100011217375 [0,2,0,0,0,0|2,0,0]=4 4854 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Cl 11a_106832991635_100000722404 [0,2,0,0,0,0|2,0,0]=4 4855 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Cl 240690a_100102657272_100000722404 [0,2,0,0,0,0|2,0,0]=4 4856 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Cl 527a_100102657272_100000722404 [0,2,0,0,0,0|2,0,0]=4 4857 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 11a_106832991635_100000684721 [0,2,0,0,0,0|2,0,0]=4 4858 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 1626a_100102657272_100000684721 [0,2,0,0,0,0|2,0,0]=4 4859 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 240690a_100102657272_100000684721 [0,2,0,0,0,0|2,0,0]=4 4860 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 527a_100102657272_100000684721 [0,2,0,0,0,0|2,0,0]=4 4861 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 11a_106832991635_100010149632 [0,2,0,0,0,0|2,0,0]=4 4862 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 1626a_100102657272_100010149632 [0,2,0,0,0,0|2,0,0]=4 4863 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 240690a_100102657272_100010149632 [0,2,0,0,0,0|2,0,0]=4 4864 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 527a_100102657272_100010149632 [0,2,0,0,0,0|2,0,0]=4 4865 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)O 240690a_100102657272_100000039761 [0,2,0,0,0,0|1,0,0]=3 4866 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)O 527a_100102657272_100000039761 [0,2,0,0,0,0|1,0,0]=3 4867 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 11a_106832991635_100000082272 [0,2,0,0,0,0|2,0,0]=4 4868 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 240690a_100102657272_100000082272 [0,2,0,0,0,0|2,0,0]=4 4869 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 527a_100102657272_100000082272 [0,2,0,0,0,0|2,0,0]=4 4870 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)O 527a_100102657272_100000031429 [0,2,0,0,0,0|1,0,0]=3 4871 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Br)O 2430a_100011534360_100102657272 [0,2,0,0,0,0|2,0,0]=4 4872 B13R1.2879 CNC(=O)Nc1ccc(c(c1)C)O 2430a_100011218179_100102657272 [0,2,0,0,0,0|2,0,0]=4 4873 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)O 2430a_100000744943_100102657272 [0,2,0,0,0,0|2,0,0]=4 4874 B13R1.2879 CNC(=O)Nc1ccc(c(c1)F)O 2430a_100011220035_100102657272 [0,2,0,0,0,0|2,0,0]=4 4875 B13R1.2879 CNC(=O)Nc1ccc(c(c1)O)O 2430a_100102946323_100102657272 [0,2,0,0,0,0|2,0,0]=4 4876 B13R1.2879 COC(=O)Cc1cc(c(cn1)C)O 271570a_203496583355_100015669916 [0,2,0,0,0,0|2,0,0]=4 4877 B13R1.2879 COC(=O)Cc1cc(c(nn1)O)C 271570a_203496583355_100010742824 [0,2,0,0,0,0|2,0,0]=4 4878 B13R1.2879 COC(=O)Cc1ccc(c(c1)F)O 271570a_203496583355_100010371902 [0,2,0,0,0,0|0,0,0]=2 4879 B13R1.2879 COC(=O)Cc1ccc(c(c1)O)F 271570a_203496583355_100011435807 [0,2,0,0,0,0|1,0,0]=3 4880 B13R1.2879 COC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010222482 [0,2,0,0,0,0|0,0,0]=2 4881 B13R1.2879 COC(=O)Nc1ccc(c(c1)N)O 271570a_203496583355_100012639261 [0,2,0,0,0,0|1,0,0]=3 4882 B13R1.2879 Cc1cc(ccc1Br)CC(=O)CF 1458a_100012340274_100015361967 [0,2,0,0,0,0|2,0,0]=4 4883 B13R1.2879 Cc1cc(ccc1Br)CC(=O)CO 1458a_100000210174_100000727479 [0,2,0,0,0,0|1,0,0]=3 4884 B13R1.2879 Cc1cc(ccc1Br)NC(=O)CO 22a_100000210723_100000210174 [0,2,0,0,0,0|2,0,0]=4 4885 B13R1.2879 Cc1cc(ccc1Br)NC(=O)CO 527a_100000210723_100000210174 [0,2,0,0,0,0|2,0,0]=4 4886 B13R1.2879 Cc1cc(ccc1Cl)CC(=O)CO 1458a_100000210174_100012184735 [0,2,0,0,0,0|1,0,0]=3 4887 B13R1.2879 Cc1cc(ccc1Cl)NC(=O)CO 22a_100000187808_100000210174 [0,2,0,0,0,0|2,0,0]=4 4888 B13R1.2879 Cc1cc(ccc1Cl)NC(=O)CO 527a_100000187808_100000210174 [0,2,0,0,0,0|2,0,0]=4 4889 B13R1.2879 Cc1cc(ccc1F)CC(=O)CF 1458a_100011667458_100015361967 [0,2,0,0,0,0|2,0,0]=4 4890 B13R1.2879 Cc1cc(ccc1F)CC(=O)CO 1458a_100000210174_100011216667 [0,2,0,0,0,0|1,0,0]=3 4891 B13R1.2879 Cc1cc(ccc1F)NC(=O)CO 22a_100000750164_100000210174 [0,2,0,0,0,0|2,0,0]=4 4892 B13R1.2879 Cc1cc(ccc1F)NC(=O)CO 527a_100000750164_100000210174 [0,2,0,0,0,0|2,0,0]=4 4893 B13R1.2879 Cc1cc(ccc1I)NC(=O)CO 22a_100000198070_100000210174 [0,2,0,0,0,0|2,0,0]=4 4894 B13R1.2879 Cc1cc(ccc1I)NC(=O)CO 527a_100000198070_100000210174 [0,2,0,0,0,0|2,0,0]=4 4895 B13R1.2879 Cc1cc(ccc1O)CC(=O)CF 1458a_100000083968_100015361967 [0,2,0,0,0,0|1,0,0]=3 4896 B13R1.2879 Cc1cc(ccc1O)NC(=O)CO 22a_100011218179_100000210174 [0,2,0,0,0,0|1,0,0]=3 4897 B13R1.2879 Cc1cc(ccc1O)NC(=O)CO 527a_100011218179_100000210174 [0,2,0,0,0,0|1,0,0]=3 4898 B13R1.2879 Cc1ccc(cc1Br)CC(=O)CF 1458a_100000709925_100015361967 [0,2,0,0,0,0|2,0,0]=4 4899 B13R1.2879 Cc1ccc(cc1Br)CC(=O)CO 1458a_100000210174_100012232412 [0,2,0,0,0,0|1,0,0]=3 4900 B13R1.2879 Cc1ccc(cc1Br)NC(=O)CO 22a_100000736455_100000210174 [0,2,0,0,0,0|2,0,0]=4 4901 B13R1.2879 Cc1ccc(cc1Br)NC(=O)CO 527a_100000736455_100000210174 [0,2,0,0,0,0|2,0,0]=4 4902 B13R1.2879 Cc1ccc(cc1C)CC(=O)CF 1458a_100000184070_100015361967 [0,2,0,0,0,0|2,0,0]=4 4903 B13R1.2879 Cc1ccc(cc1C)CC(=O)CO 1458a_100000210174_100000742320 [0,2,0,0,0,0|1,0,0]=3 4904 B13R1.2879 Cc1ccc(cc1C)NC(=O)CO 22a_100000724040_100000210174 [0,2,0,0,0,0|2,0,0]=4 4905 B13R1.2879 Cc1ccc(cc1C)NC(=O)CO 527a_100000724040_100000210174 [0,2,0,0,0,0|2,0,0]=4 4906 B13R1.2879 Cc1ccc(cc1Cl)CC(=O)CO 1458a_100000210174_100011823929 [0,2,0,0,0,0|1,0,0]=3 4907 B13R1.2879 Cc1ccc(cc1Cl)NC(=O)CO 22a_100000188892_100000210174 [0,2,0,0,0,0|2,0,0]=4 4908 B13R1.2879 Cc1ccc(cc1Cl)NC(=O)CO 527a_100000188892_100000210174 [0,2,0,0,0,0|2,0,0]=4 4909 B13R1.2879 Cc1ccc(cc1F)CC(=O)CF 1458a_100011217375_100015361967 [0,2,0,0,0,0|2,0,0]=4 4910 B13R1.2879 Cc1ccc(cc1F)CC(=O)CO 1458a_100000210174_100011217369 [0,2,0,0,0,0|1,0,0]=3 4911 B13R1.2879 Cc1ccc(cc1F)NC(=O)CO 22a_100000210958_100000210174 [0,2,0,0,0,0|2,0,0]=4 4912 B13R1.2879 Cc1ccc(cc1F)NC(=O)CO 527a_100000210958_100000210174 [0,2,0,0,0,0|2,0,0]=4 4913 B13R1.2879 Cc1ccc(cc1I)CC(=O)CO 1458a_100000210174_100010206137 [0,2,0,0,0,0|1,0,0]=3 4914 B13R1.2879 Cc1ccc(cc1I)NC(=O)CO 22a_100000184131_100000210174 [0,2,0,0,0,0|2,0,0]=4 4915 B13R1.2879 Cc1ccc(cc1I)NC(=O)CO 527a_100000184131_100000210174 [0,2,0,0,0,0|2,0,0]=4 4916 B13R1.2879 Cc1ccc(cc1O)CC(=O)CF 1458a_100000082272_100015361967 [0,2,0,0,0,0|2,0,0]=4 4917 B13R1.2879 Cc1ccc(cc1O)NC(=O)CO 22a_100000759471_100000210174 [0,2,0,0,0,0|2,0,0]=4 4918 B13R1.2879 Cc1ccc(cc1O)NC(=O)CO 527a_100000759471_100000210174 [0,2,0,0,0,0|2,0,0]=4 4919 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_100015361967 [0,2,0,0,0,0|2,0,0]=4 4920 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Br)F 1458a_100000742997_100015361967 [0,2,0,0,0,0|2,0,0]=4 4921 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Br)O 1458a_100009990404_100015361967 [0,2,0,0,0,0|1,0,0]=3 4922 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_100015361967 [0,2,0,0,0,0|2,0,0]=4 4923 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_100015361967 [0,2,0,0,0,0|2,0,0]=4 4924 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Cl)F 1458a_100011217296_100015361967 [0,2,0,0,0,0|2,0,0]=4 4925 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Cl)O 1458a_100000035197_100015361967 [0,2,0,0,0,0|1,0,0]=3 4926 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)Br 1458a_100000691132_100015361967 [0,2,0,0,0,0|2,0,0]=4 4927 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)Cl 1458a_100000722404_100015361967 [0,2,0,0,0,0|2,0,0]=4 4928 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)F 1458a_100000684721_100015361967 [0,2,0,0,0,0|2,0,0]=4 4929 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)I 1458a_100010149632_100015361967 [0,2,0,0,0,0|2,0,0]=4 4930 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)O 1458a_100000039761_100015361967 [0,2,0,0,0,0|1,0,0]=3 4931 B13R1.2879 O=C(CF)Cc1ccc(c(c1)O)O 1458a_100000031429_100015361967 [0,2,0,0,0,0|1,0,0]=3 4932 B13R1.2879 O=C(CO)Cc1cc(=O)c(co1)O 1458a_100000210174_100000010605 [0,2,0,0,0,0|1,0,0]=3 4933 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)Br 1458a_100000210174_100012353900 [0,2,0,0,0,0|1,0,0]=3 4934 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)Cl 1458a_100000210174_100012353894 [0,2,0,0,0,0|1,0,0]=3 4935 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)F 1458a_100000210174_100011206884 [0,2,0,0,0,0|1,0,0]=3 4936 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)Br 1458a_100000210174_100012353895 [0,2,0,0,0,0|1,0,0]=3 4937 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)Cl 1458a_100000210174_100000184707 [0,2,0,0,0,0|1,0,0]=3 4938 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)F 1458a_100000210174_100000717365 [0,2,0,0,0,0|1,0,0]=3 4939 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)I 1458a_100000210174_100012349665 [0,2,0,0,0,0|1,0,0]=3 4940 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)Br 1458a_100000210174_100000767054 [0,2,0,0,0,0|1,0,0]=3 4941 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)Cl 1458a_100000210174_100000716492 [0,2,0,0,0,0|1,0,0]=3 4942 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)F 1458a_100000210174_100000757363 [0,2,0,0,0,0|1,0,0]=3 4943 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)I 1458a_100000210174_100010149604 [0,2,0,0,0,0|1,0,0]=3 4944 B13R1.2879 O=C(CO)Cc1ccc(c(c1)I)Br 1458a_100000210174_100010146616 [0,2,0,0,0,0|1,0,0]=3 4945 B13R1.2879 O=C(CO)Cc1ccc(c(c1)I)F 1458a_100000210174_100010188208 [0,2,0,0,0,0|1,0,0]=3 4946 B13R1.2879 O=C(CO)Cc1cnc(c(c1)Br)F 1458a_100000210174_200010066439 [0,2,0,0,0,0|2,0,0]=4 4947 B13R1.2879 O=C(CO)Cc1cnc(c(c1)Cl)Cl 1458a_100000210174_100009843750 [0,2,0,0,0,0|2,0,0]=4 4948 B13R1.2879 O=C(CO)Cc1cnc(c(c1)I)Cl 1458a_100000210174_100011072623 [0,2,0,0,0,0|2,0,0]=4 4949 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)Br 22a_100011306057_100000210174 [0,2,0,0,0,0|2,0,0]=4 4950 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)Br 527a_100011306057_100000210174 [0,2,0,0,0,0|2,0,0]=4 4951 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)Cl 22a_100000686031_100000210174 [0,2,0,0,0,0|2,0,0]=4 4952 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)Cl 527a_100000686031_100000210174 [0,2,0,0,0,0|2,0,0]=4 4953 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)F 22a_100000760356_100000210174 [0,2,0,0,0,0|2,0,0]=4 4954 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)F 527a_100000760356_100000210174 [0,2,0,0,0,0|2,0,0]=4 4955 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)I 22a_100000750458_100000210174 [0,2,0,0,0,0|2,0,0]=4 4956 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)I 527a_100000750458_100000210174 [0,2,0,0,0,0|2,0,0]=4 4957 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)O 22a_100011534360_100000210174 [0,2,0,0,0,0|1,0,0]=3 4958 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)O 527a_100011534360_100000210174 [0,2,0,0,0,0|1,0,0]=3 4959 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)Br 22a_100000687081_100000210174 [0,2,0,0,0,0|2,0,0]=4 4960 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)Br 527a_100000687081_100000210174 [0,2,0,0,0,0|2,0,0]=4 4961 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100000210174 [0,2,0,0,0,0|2,0,0]=4 4962 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)Cl 527a_100000184108_100000210174 [0,2,0,0,0,0|2,0,0]=4 4963 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)F 22a_100000211060_100000210174 [0,2,0,0,0,0|2,0,0]=4 4964 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)F 527a_100000211060_100000210174 [0,2,0,0,0,0|2,0,0]=4 4965 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)I 22a_100000761885_100000210174 [0,2,0,0,0,0|2,0,0]=4 4966 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000210174 [0,2,0,0,0,0|1,0,0]=3 4967 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)Br 22a_100000759894_100000210174 [0,2,0,0,0,0|2,0,0]=4 4968 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)Br 527a_100000759894_100000210174 [0,2,0,0,0,0|2,0,0]=4 4969 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)Cl 22a_100000739366_100000210174 [0,2,0,0,0,0|2,0,0]=4 4970 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)F 22a_100000210724_100000210174 [0,2,0,0,0,0|2,0,0]=4 4971 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)I 22a_100011356925_100000210174 [0,2,0,0,0,0|2,0,0]=4 4972 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)O 22a_100011220035_100000210174 [0,2,0,0,0,0|1,0,0]=3 4973 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)O 527a_100011220035_100000210174 [0,2,0,0,0,0|1,0,0]=3 4974 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)Br 22a_100000750459_100000210174 [0,2,0,0,0,0|2,0,0]=4 4975 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)Br 527a_100000750459_100000210174 [0,2,0,0,0,0|2,0,0]=4 4976 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)Cl 22a_100012360549_100000210174 [0,2,0,0,0,0|2,0,0]=4 4977 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)Cl 527a_100012360549_100000210174 [0,2,0,0,0,0|2,0,0]=4 4978 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)F 22a_114828291077_100000210174 [0,2,0,0,0,0|2,0,0]=4 4979 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)F 527a_114828291077_100000210174 [0,2,0,0,0,0|2,0,0]=4 4980 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000210174 [0,2,0,0,0,0|2,0,0]=4 4981 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)F 22a_100012017398_100000210174 [0,2,0,0,0,0|2,0,0]=4 4982 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)F 527a_100012017398_100000210174 [0,2,0,0,0,0|2,0,0]=4 4983 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)O 22a_100102946323_100000210174 [0,2,0,0,0,0|1,0,0]=3 4984 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)O 527a_100102946323_100000210174 [0,2,0,0,0,0|1,0,0]=3 4985 B13R1.3528 CC(=O)Cc1ccc(c(c1Br)F)F 1458a_100000070787_100016216887 [0,2,0,0,0,0|2,0,0]=4 4986 B13R1.3528 CC(=O)Cc1ccc(c(c1Br)F)F 1458a_200015693364_200000210301 [0,2,0,0,0,0|2,0,0]=4 4987 B13R1.3528 CC(=O)Cc1ccc(c(c1Cl)F)F 1458a_200010154634_200000210301 [0,2,0,0,0,0|2,0,0]=4 4988 B13R1.3528 CC(=O)Cc1ccc(c(c1F)Cl)F 1458a_100000062224_200000210301 [0,2,0,0,0,0|2,0,0]=4 4989 B13R1.3528 CC(=O)Cc1ccc(c(c1F)Cl)F 1458a_100000070787_100009814552 [0,2,0,0,0,0|2,0,0]=4 4990 B13R1.3528 CC(=O)Cc1ccc(c(c1F)F)C 1458a_100000070787_100009813564 [0,2,0,0,0,0|2,0,0]=4 4991 B13R1.3528 CC(=O)Cc1ccc(c(c1F)F)C 1458a_100011217901_200000210301 [0,2,0,0,0,0|2,0,0]=4 4992 B13R1.3528 CC(=O)Cc1ccc(c(c1F)F)F 1458a_100000070787_100011218744 [0,2,0,0,0,0|2,0,0]=4 4993 B13R1.3528 CC(=O)Cc1ccc(c(c1F)F)F 1458a_100011217297_200000210301 [0,2,0,0,0,0|2,0,0]=4 4994 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)O 11a_200011216674_100015343762 [0,2,0,0,0,0|2,0,0]=4 4995 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)O 22a_200011216674_100000070787 [0,2,0,0,0,0|2,0,0]=4 4996 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)O 527a_200011216674_100103153847 [0,2,0,0,0,0|2,0,0]=4 4997 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)Cl)O 527a_100012017499_100103153847 [0,2,0,0,0,0|2,0,0]=4 4998 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)O 11a_200000126710_100015343762 [0,2,0,0,0,0|2,0,0]=4 4999 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)O 22a_200000126710_100000070787 [0,2,0,0,0,0|2,0,0]=4 5000 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)O 527a_200000126710_100103153847 [0,2,0,0,0,0|2,0,0]=4 5001 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)O 22a_200000098347_100000070787 [0,2,0,0,0,0|2,0,0]=4 5002 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)O 527a_200000098347_100103153847 [0,2,0,0,0,0|2,0,0]=4 5003 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)O 22a_100015204651_100000070787 [0,2,0,0,0,0|2,0,0]=4 5004 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)O 527a_100015204651_100103153847 [0,2,0,0,0,0|2,0,0]=4 5005 B13R1.3528 Cc1ccc(c(c1F)F)CC(=O)[13CH3] 1458a_100011217901_200025704644 [0,2,0,0,0,0|2,0,0]=4 5006 B13R1.3528 [13CH3]C(=O)Cc1ccc(c(c1Br)F)F 1458a_200015693364_200025704644 [0,2,0,0,0,0|2,0,0]=4 5007 B13R1.3528 [13CH3]C(=O)Cc1ccc(c(c1Cl)F)F 1458a_200010154634_200025704644 [0,2,0,0,0,0|2,0,0]=4 5008 B13R1.3528 [13CH3]C(=O)Cc1ccc(c(c1F)Cl)F 1458a_100000062224_200025704644 [0,2,0,0,0,0|2,0,0]=4 5009 B13R1.3528 [13CH3]C(=O)Cc1ccc(c(c1F)F)F 1458a_100011217297_200025704644 [0,2,0,0,0,0|2,0,0]=4 5010 B13R1.3763 CC(=O)Cc1cc(c(c(c1)Br)O)Br 1458a_100009996861_200000210301 [0,2,0,0,0,0|1,0,0]=3 5011 B13R1.3763 CC(=O)Cc1cc(c(c(c1)C)F)C 1458a_100000069598_200000210301 [0,2,0,0,0,0|2,0,0]=4 5012 B13R1.3763 CC(=O)Cc1cc(c(c(c1)C)F)C 1458a_100000070787_100011352456 [0,2,0,0,0,0|2,0,0]=4 5013 B13R1.3763 CC(=O)Cc1cc(c(c(c1)C)O)C 1458a_200000099080_200000210301 [0,2,0,0,0,0|1,0,0]=3 5014 B13R1.3763 CC(=O)Cc1cc(c(c(c1)F)Cl)F 1458a_100000070787_100010769323 [0,2,0,0,0,0|2,0,0]=4 5015 B13R1.3763 CC(=O)Cc1cc(c(c(c1)F)F)F 1458a_100000070787_100011216845 [0,2,0,0,0,0|2,0,0]=4 5016 B13R1.3763 CC(=O)Cc1cc(c(c(c1)F)F)F 1458a_100011217689_200000210301 [0,2,0,0,0,0|2,0,0]=4 5017 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)Br 22a_200000186426_100000070787 [0,2,0,0,0,0|2,0,0]=4 5018 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)Br 527a_200000186426_100103153847 [0,2,0,0,0,0|2,0,0]=4 5019 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)C 11a_100010064301_100015343762 [0,2,0,0,0,0|2,0,0]=4 5020 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)C 22a_100010064301_100000070787 [0,2,0,0,0,0|2,0,0]=4 5021 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)C 527a_100010064301_100103153847 [0,2,0,0,0,0|2,0,0]=4 5022 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 11a_100000703291_100015343762 [0,2,0,0,0,0|2,0,0]=4 5023 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 1626a_100000703291_100015343762 [0,2,0,0,0,0|2,0,0]=4 5024 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 22a_100000703291_100000070787 [0,2,0,0,0,0|2,0,0]=4 5025 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 271570a_203496583355_200012340666 [0,2,0,0,0,0|2,0,0]=4 5026 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 527a_100000703291_100103153847 [0,2,0,0,0,0|2,0,0]=4 5027 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)O)Cl 22a_100000695418_100000070787 [0,2,0,0,0,0|2,0,0]=4 5028 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)O)Cl 271570a_203496583355_106256037338 [0,2,0,0,0,0|2,0,0]=4 5029 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)O)Cl 527a_100000695418_100103153847 [0,2,0,0,0,0|2,0,0]=4 5030 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)O)F 1626a_100016987357_100015343762 [0,2,0,0,0,0|2,0,0]=4 5031 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)O)F 22a_100016987357_100000070787 [0,2,0,0,0,0|2,0,0]=4 5032 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)O)F 527a_100016987357_100103153847 [0,2,0,0,0,0|2,0,0]=4 5033 B13R1.3763 Cc1cc(cc(c1F)C)CC(=O)[13CH3] 1458a_100000069598_200025704644 [0,2,0,0,0,0|2,0,0]=4 5034 B13R1.3763 Cc1cc(cc(c1O)C)CC(=O)[13CH3] 1458a_200000099080_200025704644 [0,2,0,0,0,0|1,0,0]=3 5035 B13R1.3763 [13CH3]C(=O)Cc1cc(c(c(c1)Br)O)Br 1458a_100009996861_200025704644 [0,2,0,0,0,0|1,0,0]=3 5036 B13R1.3763 [13CH3]C(=O)Cc1cc(c(c(c1)F)F)F 1458a_100011217689_200025704644 [0,2,0,0,0,0|2,0,0]=4 5037 B13R1.21 C#CC(=O)C(C)c1ccc(cc1)Br 1458a_100000211873_100000755118 [0,2,0,0,0,0|2,0,0]=4 5038 B13R1.21 C#CC(=O)C(C)c1ccc(cc1)C 1458a_100000211873_100011261388 [0,2,0,0,0,0|2,0,0]=4 5039 B13R1.21 C#CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000211873_100000684792 [0,2,0,0,0,0|2,0,0]=4 5040 B13R1.21 C#CC(=O)C(C)c1ccc(cc1)F 1458a_100000211873_100000743420 [0,2,0,0,0,0|2,0,0]=4 5041 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)Br 1458a_100000185746_100000755118 [0,2,0,0,0,0|2,0,0]=4 5042 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)C 1458a_100000185746_100011261388 [0,2,0,0,0,0|2,0,0]=4 5043 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000185746_100000684792 [0,2,0,0,0,0|2,0,0]=4 5044 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)F 1458a_100000185746_100000743420 [0,2,0,0,0,0|2,0,0]=4 5045 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000185746 [0,2,0,0,0,0|2,0,0]=4 5046 B13R1.21 CC(C(=O)CF)c1ccc(cc1)Cl 1458a_100011216001_100015361967 [0,2,0,0,0,0|2,0,0]=4 5047 B13R1.21 CC(C(=O)CF)c1ccc(cc1)F 1458a_100011435297_100015361967 [0,2,0,0,0,0|2,0,0]=4 5048 B13R1.21 CC(C(=O)CF)c1ccc(cc1)O 1458a_100000031422_100015361967 [0,2,0,0,0,0|1,0,0]=3 5049 B13R1.21 CC(C(=O)CO)c1ccc(cc1)Br 1458a_100000210174_100000755118 [0,2,0,0,0,0|1,0,0]=3 5050 B13R1.21 CC(C(=O)CO)c1ccc(cc1)Cl 1458a_100000210174_100000684792 [0,2,0,0,0,0|1,0,0]=3 5051 B13R1.21 CC(C(=O)CO)c1ccc(cc1)F 1458a_100000210174_100000743420 [0,2,0,0,0,0|1,0,0]=3 5052 B13R1.21 CCC(=O)C(C)c1ccc(cc1)Br 1458a_100000210414_100000755118 [0,2,0,0,0,0|2,0,0]=4 5053 B13R1.21 CCC(=O)C(C)c1ccc(cc1)C 1458a_100000210414_100011261388 [0,2,0,0,0,0|2,0,0]=4 5054 B13R1.21 CCC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_100000210202 [0,2,0,0,0,0|2,0,0]=4 5055 B13R1.21 CCC(=O)C(C)c1ccc(cc1)Cl 1458a_100000210414_100000684792 [0,2,0,0,0,0|2,0,0]=4 5056 B13R1.21 CCC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_100000210202 [0,2,0,0,0,0|2,0,0]=4 5057 B13R1.21 CCC(=O)C(C)c1ccc(cc1)F 1458a_100000210414_100000743420 [0,2,0,0,0,0|2,0,0]=4 5058 B13R1.21 CCC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_100000210202 [0,2,0,0,0,0|2,0,0]=4 5059 B13R1.21 CCC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_100000210202 [0,2,0,0,0,0|1,0,0]=3 5060 B13R1.21 CCC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_100000210202 [0,2,0,0,0,0|2,0,0]=4 5061 B13R1.21 CCC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_100000210202 [0,2,0,0,0,0|2,0,0]=4 5062 B13R1.21 CCC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_100000210202 [0,2,0,0,0,0|2,0,0]=4 5063 B13R1.21 CCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000210202 [0,2,0,0,0,0|1,0,0]=3 5064 B13R1.21 CCC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000210414 [0,2,0,0,0,0|2,0,0]=4 5065 B13R1.21 CCC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100000210414 [0,2,0,0,0,0|2,0,0]=4 5066 B13R1.21 CCC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_100000210202 [0,2,0,0,0,0|2,0,0]=4 5067 B13R1.21 CCC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100000210202 [0,2,0,0,0,0|2,0,0]=4 5068 B13R1.21 CN(C(=O)CO)c1ccc(cc1)Br 22a_100000219623_100000210174 [0,2,0,0,0,0|2,0,0]=4 5069 B13R1.21 CN(C(=O)CO)c1ccc(cc1)Cl 22a_100020629279_100000210174 [0,2,0,0,0,0|2,0,0]=4 5070 B13R1.21 CN(C(=O)CO)c1ccc(cc1)F 22a_100000219829_100000210174 [0,2,0,0,0,0|2,0,0]=4 5071 B13R1.21 CN(C(=O)CO)c1ccc(cc1)I 22a_100000743151_100000210174 [0,2,0,0,0,0|2,0,0]=4 5072 B13R1.21 CN(C(=O)CO)c1ccc(cc1)O 22a_100000182112_100000210174 [0,2,0,0,0,0|1,0,0]=3 5073 B13R1.21 CN(C(=O)CO)c1ccc(cc1)O 527a_100000182112_100000210174 [0,2,0,0,0,0|1,0,0]=3 5074 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 11a_106832991635_100000751627 [0,2,0,0,0,0|2,0,0]=4 5075 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 1626a_100102657272_100000751627 [0,2,0,0,0,0|2,0,0]=4 5076 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 240690a_100102657272_100000751627 [0,2,0,0,0,0|2,0,0]=4 5077 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 527a_100102657272_100000751627 [0,2,0,0,0,0|2,0,0]=4 5078 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 11a_106832991635_100011216001 [0,2,0,0,0,0|2,0,0]=4 5079 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 1626a_100102657272_100011216001 [0,2,0,0,0,0|2,0,0]=4 5080 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 240690a_100102657272_100011216001 [0,2,0,0,0,0|2,0,0]=4 5081 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 527a_100102657272_100011216001 [0,2,0,0,0,0|2,0,0]=4 5082 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 11a_106832991635_100011435297 [0,2,0,0,0,0|2,0,0]=4 5083 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 1626a_100102657272_100011435297 [0,2,0,0,0,0|2,0,0]=4 5084 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 240690a_100102657272_100011435297 [0,2,0,0,0,0|2,0,0]=4 5085 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 527a_100102657272_100011435297 [0,2,0,0,0,0|2,0,0]=4 5086 B13R1.21 CNC(=O)C(C)c1ccc(cc1)O 240690a_100102657272_100000031422 [0,2,0,0,0,0|1,0,0]=3 5087 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 11a_106832991635_100012277543 [0,2,0,0,0,0|2,0,0]=4 5088 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 1626a_100102657272_100012277543 [0,2,0,0,0,0|2,0,0]=4 5089 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 240690a_100102657272_100012277543 [0,2,0,0,0,0|2,0,0]=4 5090 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 527a_100102657272_100012277543 [0,2,0,0,0,0|2,0,0]=4 5091 B13R1.21 CNC(=O)C(O)c1ccc(cc1)Br 240690a_100102657272_100000756554 [0,2,0,0,0,0|2,0,0]=4 5092 B13R1.21 CNC(=O)C(O)c1ccc(cc1)F 240690a_100102657272_100000209909 [0,2,0,0,0,0|2,0,0]=4 5093 B13R1.21 CNC(=O)C(O)c1ccc(cc1)O 240690a_100102657272_100011215213 [0,2,0,0,0,0|1,0,0]=3 5094 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)C 240690a_100102657272_100009815954 [0,2,0,0,0,0|2,0,0]=4 5095 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100102657272_100009817493 [0,2,0,0,0,0|2,0,0]=4 5096 B13R1.21 COC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_100012339527 [0,2,0,0,0,0|0,0,1]=3 5097 B13R1.21 COC(=O)C(N)c1ccc(cc1)O 271570a_203496583355_100000747369 [0,2,0,0,0,0|0,0,0]=2 5098 B13R1.21 Cc1ccc(cc1)C(C)C(=O)CF 1458a_100000751627_100015361967 [0,2,0,0,0,0|2,0,0]=4 5099 B13R1.21 Cc1ccc(cc1)C(C)C(=O)CO 1458a_100000210174_100011261388 [0,2,0,0,0,0|1,0,0]=3 5100 B13R1.21 Cc1ccc(cc1)N(C)C(=O)CO 22a_100000219977_100000210174 [0,2,0,0,0,0|2,0,0]=4 5101 B13R1.21 Cc1ccc(cc1)[C@@H](O)C(=O)CF 1458a_100009815954_100015361967 [0,2,0,0,0,0|2,0,0]=4 5102 B13R1.21 O=C(CF)C(F)c1ccc(cc1)Cl 1458a_100012277543_100015361967 [0,2,0,0,0,0|2,0,0]=4 5103 B13R1.21 O=C(CF)C(O)c1ccc(cc1)Br 1458a_100000756554_100015361967 [0,2,0,0,0,0|2,0,0]=4 5104 B13R1.21 O=C(CF)C(O)c1ccc(cc1)F 1458a_100000209909_100015361967 [0,2,0,0,0,0|2,0,0]=4 5105 B13R1.21 O=C(CF)C(O)c1ccc(cc1)O 1458a_100011215213_100015361967 [0,2,0,0,0,0|1,0,0]=3 5106 B13R1.21 O=C(CF)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100015361967 [0,2,0,0,0,0|2,0,0]=4 5107 B13R1.163 CC(=O)C(C)c1ccc(cc1Cl)F 1458a_200012359452_200000210301 [0,2,0,0,0,0|2,0,0]=4 5108 B13R1.163 CC(=O)C(O)c1ccc(cc1F)Br 1458a_100011356516_200000210301 [0,2,0,0,0,0|2,0,0]=4 5109 B13R1.163 CC(=O)C(O)c1ccc(cc1F)F 1458a_100011216397_200000210301 [0,2,0,0,0,0|2,0,0]=4 5110 B13R1.163 CC(=O)N(C)c1ccc(cc1C)O 22a_100161107805_100000070787 [0,2,0,0,0,0|2,0,0]=4 5111 B13R1.163 CC(=O)N(C)c1ccc(cc1C)O 527a_100161107805_100103153847 [0,2,0,0,0,0|2,0,0]=4 5112 B13R1.163 CC(C(=O)[13CH3])c1ccc(cc1Cl)F 1458a_200012359452_200025704644 [0,2,0,0,0,0|2,0,0]=4 5113 B13R1.163 [13CH3]C(=O)C(O)c1ccc(cc1F)Br 1458a_100011356516_200025704644 [0,2,0,0,0,0|2,0,0]=4 5114 B13R1.163 [13CH3]C(=O)C(O)c1ccc(cc1F)F 1458a_100011216397_200025704644 [0,2,0,0,0,0|2,0,0]=4 5115 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)Br 1458a_100000740082_200000210301 [0,2,0,0,0,0|2,0,0]=4 5116 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)C 1458a_100000751694_200000210301 [0,2,0,0,0,0|2,0,0]=4 5117 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)Cl 1458a_100000742901_200000210301 [0,2,0,0,0,0|2,0,0]=4 5118 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)F 1458a_100000751650_200000210301 [0,2,0,0,0,0|2,0,0]=4 5119 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)O 1458a_100000721645_200000210301 [0,2,0,0,0,0|1,0,0]=3 5120 B13R1.522 CC(=O)C(C)(O)c1ccc(cc1)C 1458a_100011434902_200000210301 [0,2,0,0,0,0|2,0,0]=4 5121 B13R1.522 CC(=O)C(C)(O)c1ccc(cc1)Cl 1458a_100000695402_200000210301 [0,2,0,0,0,0|2,0,0]=4 5122 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)Br 1458a_100000740082_200025704644 [0,2,0,0,0,0|2,0,0]=4 5123 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100000742901_200025704644 [0,2,0,0,0,0|2,0,0]=4 5124 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)F 1458a_100000751650_200025704644 [0,2,0,0,0,0|2,0,0]=4 5125 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000721645_200025704644 [0,2,0,0,0,0|1,0,0]=3 5126 B13R1.522 CC(O)(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100000695402_200025704644 [0,2,0,0,0,0|2,0,0]=4 5127 B13R1.522 Cc1ccc(cc1)C(C)(C)C(=O)[13CH3] 1458a_100000751694_200025704644 [0,2,0,0,0,0|2,0,0]=4 5128 B13R1.522 Cc1ccc(cc1)C(C)(O)C(=O)[13CH3] 1458a_100011434902_200025704644 [0,2,0,0,0,0|2,0,0]=4 5129 B13R1.706 CCC(C(=O)C)c1ccc(cc1)Br 1458a_100011934198_200000210301 [0,2,0,0,0,0|2,0,0]=4 5130 B13R1.706 CCC(C(=O)[13CH3])c1ccc(cc1)Br 1458a_100011934198_200025704644 [0,2,0,0,0,0|2,0,0]=4 5131 B13R1.706 CCN(C(=O)C)c1ccc(cc1)O 22a_100011337800_100000070787 [0,2,0,0,0,0|2,0,0]=4 5132 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200000210301 [0,2,0,0,0,0|1,0,0]=3 5133 B13R1.706 CNC(C(=O)O)c1ccc(cc1)C 269956a_100138412518_200000210301 [0,2,0,0,0,0|1,0,0]=3 5134 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200000210301 [0,2,0,0,0,0|1,0,0]=3 5135 B13R1.706 CNC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200000210301 [0,2,0,0,0,0|1,0,0]=3 5136 B13R1.706 COC(C(=O)C)c1ccc(cc1)Cl 1458a_100012350483_200000210301 [0,2,0,0,0,0|2,0,0]=4 5137 B13R1.706 COC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100012350483_200025704644 [0,2,0,0,0,0|2,0,0]=4 5138 B13R1.706 Cc1ccc(cc1)C(N[13CH3])C(=O)O 269956a_100138412518_200025704644 [0,2,0,0,0,0|1,0,0]=3 5139 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200025704644 [0,2,0,0,0,0|1,0,0]=3 5140 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200025704644 [0,2,0,0,0,0|1,0,0]=3 5141 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200025704644 [0,2,0,0,0,0|1,0,0]=3 5142 B13R1.19 C#CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000184674 [0,2,0,0,0,0|2,0,0]=4 5143 B13R1.19 C#CCC(=O)Cc1ccc(cc1)Br 1458a_100011220946_100000189115 [0,2,0,0,0,0|2,0,0]=4 5144 B13R1.19 C#CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000184674 [0,2,0,0,0,0|2,0,0]=4 5145 B13R1.19 C#CCC(=O)Cc1ccc(cc1)C 1458a_100011220946_100000210814 [0,2,0,0,0,0|2,0,0]=4 5146 B13R1.19 C#CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000184674 [0,2,0,0,0,0|2,0,0]=4 5147 B13R1.19 C#CCC(=O)Cc1ccc(cc1)Cl 1458a_100011220946_100000694040 [0,2,0,0,0,0|2,0,0]=4 5148 B13R1.19 C#CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000184674 [0,2,0,0,0,0|2,0,0]=4 5149 B13R1.19 C#CCC(=O)Cc1ccc(cc1)F 1458a_100011220946_100000198546 [0,2,0,0,0,0|2,0,0]=4 5150 B13R1.19 C#CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000184674 [0,2,0,0,0,0|2,0,0]=4 5151 B13R1.19 C#CCC(=O)Cc1ccc(cc1)I 1458a_100011220946_100000189116 [0,2,0,0,0,0|2,0,0]=4 5152 B13R1.19 C#CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000184674 [0,2,0,0,0,0|1,0,0]=3 5153 B13R1.19 C=CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210623 [0,2,0,0,0,0|2,0,0]=4 5154 B13R1.19 C=CCC(=O)Cc1ccc(cc1)Br 1458a_100000210193_100000189115 [0,2,0,0,0,0|2,0,0]=4 5155 B13R1.19 C=CCC(=O)Cc1ccc(cc1)C 1458a_100000210193_100000210814 [0,2,0,0,0,0|2,0,0]=4 5156 B13R1.19 C=CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210623 [0,2,0,0,0,0|2,0,0]=4 5157 B13R1.19 C=CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210193_100000694040 [0,2,0,0,0,0|2,0,0]=4 5158 B13R1.19 C=CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210623 [0,2,0,0,0,0|2,0,0]=4 5159 B13R1.19 C=CCC(=O)Cc1ccc(cc1)F 1458a_100000210193_100000198546 [0,2,0,0,0,0|2,0,0]=4 5160 B13R1.19 C=CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210623 [0,2,0,0,0,0|2,0,0]=4 5161 B13R1.19 C=CCC(=O)Cc1ccc(cc1)I 1458a_100000210193_100000189116 [0,2,0,0,0,0|2,0,0]=4 5162 B13R1.19 C=CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210623 [0,2,0,0,0,0|2,0,0]=4 5163 B13R1.19 C=CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210623 [0,2,0,0,0,0|1,0,0]=3 5164 B13R1.19 C=CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210193 [0,2,0,0,0,0|2,0,0]=4 5165 B13R1.19 CC#CC(=O)Cc1ccc(cc1)Br 1458a_100000763181_100000189115 [0,2,0,0,0,0|2,0,0]=4 5166 B13R1.19 CC#CC(=O)Cc1ccc(cc1)C 1458a_100000763181_100000210814 [0,2,0,0,0,0|2,0,0]=4 5167 B13R1.19 CC#CC(=O)Cc1ccc(cc1)Cl 1458a_100000763181_100000694040 [0,2,0,0,0,0|2,0,0]=4 5168 B13R1.19 CC#CC(=O)Cc1ccc(cc1)F 1458a_100000763181_100000198546 [0,2,0,0,0,0|2,0,0]=4 5169 B13R1.19 CC#CC(=O)Cc1ccc(cc1)I 1458a_100000763181_100000189116 [0,2,0,0,0,0|2,0,0]=4 5170 B13R1.19 CC#CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000763181 [0,2,0,0,0,0|2,0,0]=4 5171 B13R1.19 CC=CC(=O)Cc1ccc(cc1)Br 1458a_100000210699_100000189115 [0,2,0,0,0,0|2,0,0]=4 5172 B13R1.19 CC=CC(=O)Cc1ccc(cc1)C 1458a_100000210699_100000210814 [0,2,0,0,0,0|2,0,0]=4 5173 B13R1.19 CC=CC(=O)Cc1ccc(cc1)Cl 1458a_100000210699_100000694040 [0,2,0,0,0,0|2,0,0]=4 5174 B13R1.19 CC=CC(=O)Cc1ccc(cc1)F 1458a_100000210699_100000198546 [0,2,0,0,0,0|2,0,0]=4 5175 B13R1.19 CC=CC(=O)Cc1ccc(cc1)I 1458a_100000210699_100000189116 [0,2,0,0,0,0|2,0,0]=4 5176 B13R1.19 CC=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210699 [0,2,0,0,0,0|2,0,0]=4 5177 B13R1.19 CCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210303 [0,2,0,0,0,0|2,0,0]=4 5178 B13R1.19 CCCC(=O)Cc1ccc(cc1)Br 1458a_100000211992_100000189115 [0,2,0,0,0,0|2,0,0]=4 5179 B13R1.19 CCCC(=O)Cc1ccc(cc1)C 1458a_100000211992_100000210814 [0,2,0,0,0,0|2,0,0]=4 5180 B13R1.19 CCCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210303 [0,2,0,0,0,0|2,0,0]=4 5181 B13R1.19 CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210303 [0,2,0,0,0,0|2,0,0]=4 5182 B13R1.19 CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211992_100000694040 [0,2,0,0,0,0|2,0,0]=4 5183 B13R1.19 CCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210303 [0,2,0,0,0,0|2,0,0]=4 5184 B13R1.19 CCCC(=O)Cc1ccc(cc1)F 1458a_100000211992_100000198546 [0,2,0,0,0,0|2,0,0]=4 5185 B13R1.19 CCCC(=O)Cc1ccc(cc1)I 1458a_100000211992_100000189116 [0,2,0,0,0,0|2,0,0]=4 5186 B13R1.19 CCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210303 [0,2,0,0,0,0|2,0,0]=4 5187 B13R1.19 CCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210303 [0,2,0,0,0,0|1,0,0]=3 5188 B13R1.19 CCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000211992 [0,2,0,0,0,0|2,0,0]=4 5189 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br 11a_100015525214_100000198978 [0,2,0,0,0,0|2,0,0]=4 5190 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br 240690a_100015525214_100000198978 [0,2,0,0,0,0|2,0,0]=4 5191 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br 527a_100015525214_100000198978 [0,2,0,0,0,0|2,0,0]=4 5192 B13R1.19 CCNC(=O)Cc1ccc(cc1)C 11a_100015525214_100000212244 [0,2,0,0,0,0|2,0,0]=4 5193 B13R1.19 CCNC(=O)Cc1ccc(cc1)C 240690a_100015525214_100000212244 [0,2,0,0,0,0|2,0,0]=4 5194 B13R1.19 CCNC(=O)Cc1ccc(cc1)C 527a_100015525214_100000212244 [0,2,0,0,0,0|2,0,0]=4 5195 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl 11a_100015525214_100000211027 [0,2,0,0,0,0|2,0,0]=4 5196 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl 240690a_100015525214_100000211027 [0,2,0,0,0,0|2,0,0]=4 5197 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl 527a_100015525214_100000211027 [0,2,0,0,0,0|2,0,0]=4 5198 B13R1.19 CCNC(=O)Cc1ccc(cc1)F 11a_100015525214_100000210951 [0,2,0,0,0,0|2,0,0]=4 5199 B13R1.19 CCNC(=O)Cc1ccc(cc1)F 240690a_100015525214_100000210951 [0,2,0,0,0,0|2,0,0]=4 5200 B13R1.19 CCNC(=O)Cc1ccc(cc1)F 527a_100015525214_100000210951 [0,2,0,0,0,0|2,0,0]=4 5201 B13R1.19 CCNC(=O)Cc1ccc(cc1)I 11a_100015525214_100000688869 [0,2,0,0,0,0|2,0,0]=4 5202 B13R1.19 CCNC(=O)Cc1ccc(cc1)I 240690a_100015525214_100000688869 [0,2,0,0,0,0|2,0,0]=4 5203 B13R1.19 CCNC(=O)Cc1ccc(cc1)I 527a_100015525214_100000688869 [0,2,0,0,0,0|2,0,0]=4 5204 B13R1.19 CCNC(=O)Cc1ccc(cc1)O 240690a_100015525214_100000198540 [0,2,0,0,0,0|1,0,0]=3 5205 B13R1.19 CCNC(=O)Cc1ccc(cc1)O 527a_100015525214_100000198540 [0,2,0,0,0,0|1,0,0]=3 5206 B13R1.19 CCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100015525214 [0,2,0,0,0,0|2,0,0]=4 5207 B13R1.19 CCOC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000170549 [0,2,0,0,0,0|0,0,0]=2 5208 B13R1.19 CCOC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012359163 [0,2,0,0,0,0|1,0,0]=3 5209 B13R1.19 CCOC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071673 [0,2,0,0,0,0|1,0,0]=3 5210 B13R1.19 CCOC(=O)Cc1ncc(cn1)O 271570a_203496583355_100010214908 [0,2,0,0,0,0|2,0,0]=4 5211 B13R1.19 CCOC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000158341 [0,2,0,0,0,0|1,0,0]=3 5212 B13R1.19 CN(CC=O)Cc1ccc(cc1)O 2230a_100000207500_200015260668 [0,2,0,0,0,0|2,0,0]=4 5213 B13R1.19 CN(CC=O)Cc1ccc(cc1)O 269982a_100000207500_200015260668 [0,2,0,0,0,0|2,0,0]=4 5214 B13R1.19 CN(CCO)Cc1ccc(cc1)O 2230a_100000207500_100000211926 [0,2,0,0,0,0|2,0,0]=4 5215 B13R1.19 CN(CCO)Cc1ccc(cc1)O 269982a_100000207500_100000211926 [0,2,0,0,0,0|2,0,0]=4 5216 B13R1.19 CNCC(=O)Nc1ccc(cc1)O 2230a_106832991635_100000233757 [0,2,0,0,0,0|2,0,0]=4 5217 B13R1.19 CNCC(=O)Nc1ccc(cc1)O 34a_100102657272_100000233757 [0,2,0,0,0,0|2,0,0]=4 5218 B13R1.19 CNCC(=O)Nc1ccc(cc1)O 7a_106832991635_100000233757 [0,2,0,0,0,0|2,0,0]=4 5219 B13R1.19 CNNC(=O)Cc1ccc(cc1)Br 22a_100016993582_100000198978 [0,2,0,0,0,0|2,0,0]=4 5220 B13R1.19 CNNC(=O)Cc1ccc(cc1)C 22a_100016993582_100000212244 [0,2,0,0,0,0|2,0,0]=4 5221 B13R1.19 CNNC(=O)Cc1ccc(cc1)Cl 22a_100016993582_100000211027 [0,2,0,0,0,0|2,0,0]=4 5222 B13R1.19 CNNC(=O)Cc1ccc(cc1)F 22a_100016993582_100000210951 [0,2,0,0,0,0|2,0,0]=4 5223 B13R1.19 CNNC(=O)Cc1ccc(cc1)I 22a_100016993582_100000688869 [0,2,0,0,0,0|2,0,0]=4 5224 B13R1.19 CNNC(=O)Cc1ccc(cc1)O 22a_100016993582_100000198540 [0,2,0,0,0,0|1,0,0]=3 5225 B13R1.19 COCC(=O)Cc1ccc(cc1)Br 1458a_100000210968_100000189115 [0,2,0,0,0,0|1,0,0]=3 5226 B13R1.19 COCC(=O)Cc1ccc(cc1)C 1458a_100000210968_100000210814 [0,2,0,0,0,0|1,0,0]=3 5227 B13R1.19 COCC(=O)Cc1ccc(cc1)Cl 1458a_100000210968_100000694040 [0,2,0,0,0,0|1,0,0]=3 5228 B13R1.19 COCC(=O)Cc1ccc(cc1)F 1458a_100000210968_100000198546 [0,2,0,0,0,0|1,0,0]=3 5229 B13R1.19 COCC(=O)Cc1ccc(cc1)I 1458a_100000210968_100000189116 [0,2,0,0,0,0|1,0,0]=3 5230 B13R1.19 COCC(=O)Cc1ccc(cn1)Br 1458a_100000210968_100000702658 [0,2,0,0,0,0|2,0,0]=4 5231 B13R1.19 COCC(=O)Cc1ccc(cn1)C 1458a_100000210968_100000691093 [0,2,0,0,0,0|2,0,0]=4 5232 B13R1.19 COCC(=O)Cc1ccc(cn1)Cl 1458a_100000210968_100012066911 [0,2,0,0,0,0|2,0,0]=4 5233 B13R1.19 COCC(=O)Cc1ccc(cn1)F 1458a_100000210968_100000703193 [0,2,0,0,0,0|2,0,0]=4 5234 B13R1.19 COCC(=O)Cc1ccc(nc1)Br 1458a_100000210968_100009831999 [0,2,0,0,0,0|2,0,0]=4 5235 B13R1.19 COCC(=O)Cc1ccc(nc1)C 1458a_100000210968_100016987292 [0,2,0,0,0,0|2,0,0]=4 5236 B13R1.19 COCC(=O)Cc1ccc(nc1)Cl 1458a_100000210968_100000735431 [0,2,0,0,0,0|2,0,0]=4 5237 B13R1.19 COCC(=O)Cc1ccc(nc1)F 1458a_100000210968_100009820150 [0,2,0,0,0,0|2,0,0]=4 5238 B13R1.19 COCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210968 [0,2,0,0,0,0|2,0,0]=4 5239 B13R1.19 COCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210968 [0,2,0,0,0,0|2,0,0]=4 5240 B13R1.19 COCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210968 [0,2,0,0,0,0|2,0,0]=4 5241 B13R1.19 COCC(=O)Nc1ccc(cc1)Br 34a_100138415774_100000183692 [0,2,0,0,0,0|2,0,0]=4 5242 B13R1.19 COCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210968 [0,2,0,0,0,0|2,0,0]=4 5243 B13R1.19 COCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210968 [0,2,0,0,0,0|2,0,0]=4 5244 B13R1.19 COCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210968 [0,2,0,0,0,0|2,0,0]=4 5245 B13R1.19 COCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210968 [0,2,0,0,0,0|2,0,0]=4 5246 B13R1.19 COCC(=O)Nc1ccc(cc1)C 34a_100138415774_100000182914 [0,2,0,0,0,0|2,0,0]=4 5247 B13R1.19 COCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210968 [0,2,0,0,0,0|2,0,0]=4 5248 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210968 [0,2,0,0,0,0|2,0,0]=4 5249 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210968 [0,2,0,0,0,0|2,0,0]=4 5250 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210968 [0,2,0,0,0,0|2,0,0]=4 5251 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 34a_100138415774_100000182960 [0,2,0,0,0,0|2,0,0]=4 5252 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210968 [0,2,0,0,0,0|2,0,0]=4 5253 B13R1.19 COCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210968 [0,2,0,0,0,0|2,0,0]=4 5254 B13R1.19 COCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210968 [0,2,0,0,0,0|2,0,0]=4 5255 B13R1.19 COCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210968 [0,2,0,0,0,0|2,0,0]=4 5256 B13R1.19 COCC(=O)Nc1ccc(cc1)F 34a_100138415774_100000181725 [0,2,0,0,0,0|2,0,0]=4 5257 B13R1.19 COCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210968 [0,2,0,0,0,0|2,0,0]=4 5258 B13R1.19 COCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210968 [0,2,0,0,0,0|2,0,0]=4 5259 B13R1.19 COCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210968 [0,2,0,0,0,0|2,0,0]=4 5260 B13R1.19 COCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210968 [0,2,0,0,0,0|2,0,0]=4 5261 B13R1.19 COCC(=O)Nc1ccc(cc1)I 34a_100138415774_100000183000 [0,2,0,0,0,0|2,0,0]=4 5262 B13R1.19 COCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210968 [0,2,0,0,0,0|2,0,0]=4 5263 B13R1.19 COCC(=O)Nc1ccc(cc1)N 34a_100011269904_200000210301 [0,2,0,0,0,0|2,0,0]=4 5264 B13R1.19 COCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210968 [0,2,0,0,0,0|1,0,0]=3 5265 B13R1.19 COCC(=O)Nc1ccc(cc1)O 34a_100138415774_100000233757 [0,2,0,0,0,0|1,0,0]=3 5266 B13R1.19 COCC(=O)Oc1ccc(cc1)Br 34a_100138415774_200010760497 [0,2,0,0,0,0|2,0,0]=4 5267 B13R1.19 COCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000766300 [0,2,0,0,0,0|2,0,0]=4 5268 B13R1.19 COCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000766300 [0,2,0,0,0,0|2,0,0]=4 5269 B13R1.19 CSCC(=O)Cc1ccc(cc1)Br 1458a_100000184570_100000189115 [0,2,0,0,0,0|1,1,0]=4 5270 B13R1.19 CSCC(=O)Cc1ccc(cc1)C 1458a_100000184570_100000210814 [0,2,0,0,0,0|1,1,0]=4 5271 B13R1.19 CSCC(=O)Cc1ccc(cc1)Cl 1458a_100000184570_100000694040 [0,2,0,0,0,0|1,1,0]=4 5272 B13R1.19 CSCC(=O)Cc1ccc(cc1)F 1458a_100000184570_100000198546 [0,2,0,0,0,0|1,1,0]=4 5273 B13R1.19 CSCC(=O)Cc1ccc(cc1)I 1458a_100000184570_100000189116 [0,2,0,0,0,0|1,1,0]=4 5274 B13R1.19 CSCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000184570 [0,2,0,0,0,0|1,1,0]=4 5275 B13R1.19 CSCC(=O)Nc1ccc(cc1)O 62a_200000210301_100000233757 [0,2,0,0,0,0|1,1,0]=4 5276 B13R1.19 Cc1ccc(cc1)CC(=O)C=CBr 1458a_100016273825_100000210814 [0,2,0,0,0,0|2,0,0]=4 5277 B13R1.19 Cc1ccc(cc1)CC(=O)C=CCl 1458a_200016279998_100000210814 [0,2,0,0,0,0|2,0,0]=4 5278 B13R1.19 Cc1ccc(cc1)CC(=O)C=CI 1458a_100016256311_100000210814 [0,2,0,0,0,0|2,0,0]=4 5279 B13R1.19 Cc1ccc(cc1)CC(=O)CC#N 1458a_100000212244_100011214920 [0,2,0,0,0,0|2,0,0]=4 5280 B13R1.19 Cc1ccc(cc1)CC(=O)CC#N 1458a_100051588842_100000210814 [0,2,0,0,0,0|2,0,0]=4 5281 B13R1.19 Cc1ccc(cc1)CC(=O)CCF 1458a_100000212244_100011217306 [0,2,0,0,0,0|2,0,0]=4 5282 B13R1.19 Cc1ccc(cc1)CC(=O)CCO 1458a_100000212244_100000211926 [0,2,0,0,0,0|1,0,0]=3 5283 B13R1.19 Cc1ccc(cc1)CC(=O)CCO 1458a_100011216618_100000210814 [0,2,0,0,0,0|1,0,0]=3 5284 B13R1.19 Cc1ccc(cc1)NC(=O)CCO 22a_100000124888_100011216618 [0,2,0,0,0,0|2,0,0]=4 5285 B13R1.19 Cc1ccc(cn1)CC(=O)CCO 1458a_100000740413_100000211926 [0,2,0,0,0,0|2,0,0]=4 5286 B13R1.19 Cc1ccc(cn1)CC(=O)CCO 1458a_100011216618_100016987292 [0,2,0,0,0,0|2,0,0]=4 5287 B13R1.19 Cc1ccc(nc1)CC(=O)CCO 1458a_100011216618_100000691093 [0,2,0,0,0,0|2,0,0]=4 5288 B13R1.19 Cc1ccc(nc1)CC(=O)CCO 1458a_100025705728_100000211926 [0,2,0,0,0,0|2,0,0]=4 5289 B13R1.19 N#CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100011214920 [0,2,0,0,0,0|2,0,0]=4 5290 B13R1.19 N#CCC(=O)Cc1ccc(cc1)Br 1458a_100051588842_100000189115 [0,2,0,0,0,0|2,0,0]=4 5291 B13R1.19 N#CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100011214920 [0,2,0,0,0,0|2,0,0]=4 5292 B13R1.19 N#CCC(=O)Cc1ccc(cc1)Cl 1458a_100051588842_100000694040 [0,2,0,0,0,0|2,0,0]=4 5293 B13R1.19 N#CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100011214920 [0,2,0,0,0,0|2,0,0]=4 5294 B13R1.19 N#CCC(=O)Cc1ccc(cc1)F 1458a_100051588842_100000198546 [0,2,0,0,0,0|2,0,0]=4 5295 B13R1.19 N#CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100011214920 [0,2,0,0,0,0|2,0,0]=4 5296 B13R1.19 N#CCC(=O)Cc1ccc(cc1)I 1458a_100051588842_100000189116 [0,2,0,0,0,0|2,0,0]=4 5297 B13R1.19 N#CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100011214920 [0,2,0,0,0,0|1,0,0]=3 5298 B13R1.19 N#CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100051588842 [0,2,0,0,0,0|2,0,0]=4 5299 B13R1.19 N#CCC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000187967 [0,2,0,0,0,0|2,0,0]=4 5300 B13R1.19 NCCC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000743120 [0,2,0,0,0,0|2,0,0]=4 5301 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)Br 1458a_100016273825_100000189115 [0,2,0,0,0,0|2,0,0]=4 5302 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)Cl 1458a_100016273825_100000694040 [0,2,0,0,0,0|2,0,0]=4 5303 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)F 1458a_100016273825_100000198546 [0,2,0,0,0,0|2,0,0]=4 5304 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)I 1458a_100016273825_100000189116 [0,2,0,0,0,0|2,0,0]=4 5305 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)Br 1458a_200016279998_100000189115 [0,2,0,0,0,0|2,0,0]=4 5306 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)Cl 1458a_200016279998_100000694040 [0,2,0,0,0,0|2,0,0]=4 5307 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)F 1458a_200016279998_100000198546 [0,2,0,0,0,0|2,0,0]=4 5308 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)I 1458a_200016279998_100000189116 [0,2,0,0,0,0|2,0,0]=4 5309 B13R1.19 O=C(C=CI)Cc1ccc(cc1)Br 1458a_100016256311_100000189115 [0,2,0,0,0,0|2,0,0]=4 5310 B13R1.19 O=C(C=CI)Cc1ccc(cc1)Cl 1458a_100016256311_100000694040 [0,2,0,0,0,0|2,0,0]=4 5311 B13R1.19 O=C(C=CI)Cc1ccc(cc1)F 1458a_100016256311_100000198546 [0,2,0,0,0,0|2,0,0]=4 5312 B13R1.19 O=C(C=CI)Cc1ccc(cc1)I 1458a_100016256311_100000189116 [0,2,0,0,0,0|2,0,0]=4 5313 B13R1.19 O=C(CCF)Cc1ccc(cc1)Br 1458a_100000198978_100011217306 [0,2,0,0,0,0|2,0,0]=4 5314 B13R1.19 O=C(CCF)Cc1ccc(cc1)Cl 1458a_100000211027_100011217306 [0,2,0,0,0,0|2,0,0]=4 5315 B13R1.19 O=C(CCF)Cc1ccc(cc1)F 1458a_100000210951_100011217306 [0,2,0,0,0,0|2,0,0]=4 5316 B13R1.19 O=C(CCF)Cc1ccc(cc1)I 1458a_100000688869_100011217306 [0,2,0,0,0,0|2,0,0]=4 5317 B13R1.19 O=C(CCF)Cc1ccc(cc1)O 1458a_100000198540_100011217306 [0,2,0,0,0,0|1,0,0]=3 5318 B13R1.19 O=C(CCO)Cc1ccc(cc1)Br 1458a_100000198978_100000211926 [0,2,0,0,0,0|1,0,0]=3 5319 B13R1.19 O=C(CCO)Cc1ccc(cc1)Br 1458a_100011216618_100000189115 [0,2,0,0,0,0|1,0,0]=3 5320 B13R1.19 O=C(CCO)Cc1ccc(cc1)Cl 1458a_100000211027_100000211926 [0,2,0,0,0,0|1,0,0]=3 5321 B13R1.19 O=C(CCO)Cc1ccc(cc1)Cl 1458a_100011216618_100000694040 [0,2,0,0,0,0|1,0,0]=3 5322 B13R1.19 O=C(CCO)Cc1ccc(cc1)F 1458a_100000210951_100000211926 [0,2,0,0,0,0|1,0,0]=3 5323 B13R1.19 O=C(CCO)Cc1ccc(cc1)F 1458a_100011216618_100000198546 [0,2,0,0,0,0|1,0,0]=3 5324 B13R1.19 O=C(CCO)Cc1ccc(cc1)I 1458a_100000688869_100000211926 [0,2,0,0,0,0|1,0,0]=3 5325 B13R1.19 O=C(CCO)Cc1ccc(cc1)I 1458a_100011216618_100000189116 [0,2,0,0,0,0|1,0,0]=3 5326 B13R1.19 O=C(CCO)Cc1ccc(cc1)O 1458a_100000198540_100000211926 [0,2,0,0,0,0|0,0,0]=2 5327 B13R1.19 O=C(CCO)Cc1ccc(cn1)Br 1458a_100011216618_100000702658 [0,2,0,0,0,0|2,0,0]=4 5328 B13R1.19 O=C(CCO)Cc1ccc(cn1)Br 1458a_100020629044_100000211926 [0,2,0,0,0,0|2,0,0]=4 5329 B13R1.19 O=C(CCO)Cc1ccc(cn1)Cl 1458a_100000728320_100000211926 [0,2,0,0,0,0|2,0,0]=4 5330 B13R1.19 O=C(CCO)Cc1ccc(cn1)Cl 1458a_100011216618_100012066911 [0,2,0,0,0,0|2,0,0]=4 5331 B13R1.19 O=C(CCO)Cc1ccc(cn1)F 1458a_100011216618_100000703193 [0,2,0,0,0,0|2,0,0]=4 5332 B13R1.19 O=C(CCO)Cc1ccc(nc1)Br 1458a_100010067268_100000211926 [0,2,0,0,0,0|2,0,0]=4 5333 B13R1.19 O=C(CCO)Cc1ccc(nc1)Br 1458a_100011216618_100009831999 [0,2,0,0,0,0|2,0,0]=4 5334 B13R1.19 O=C(CCO)Cc1ccc(nc1)Cl 1458a_100000061944_100000211926 [0,2,0,0,0,0|2,0,0]=4 5335 B13R1.19 O=C(CCO)Cc1ccc(nc1)Cl 1458a_100011216618_100000735431 [0,2,0,0,0,0|2,0,0]=4 5336 B13R1.19 O=C(CCO)Cc1ccc(nc1)F 1458a_100011216618_100009820150 [0,2,0,0,0,0|2,0,0]=4 5337 B13R1.19 O=C(CCO)Cn1ccc(=O)cc1 1458a_200000238563_100000211926 [0,2,0,0,0,0|1,0,1]=4 5338 B13R1.19 O=C(CCO)Nc1ccc(cc1)Br 22a_100000210018_100011216618 [0,2,0,0,0,0|2,0,0]=4 5339 B13R1.19 O=C(CCO)Nc1ccc(cc1)Cl 22a_100000210052_100011216618 [0,2,0,0,0,0|2,0,0]=4 5340 B13R1.19 O=C(CCO)Nc1ccc(cc1)F 22a_100000185862_100011216618 [0,2,0,0,0,0|2,0,0]=4 5341 B13R1.19 O=C(CCO)Nc1ccc(cc1)I 22a_100000185761_100011216618 [0,2,0,0,0,0|2,0,0]=4 5342 B13R1.19 O=C(CCO)Nc1ccc(cc1)O 22a_100000185829_100011216618 [0,2,0,0,0,0|1,0,0]=3 5343 B13R1.19 [13CH3]OCC(=O)Nc1ccc(cc1)N 34a_100011269904_200025704644 [0,2,0,0,0,0|2,0,0]=4 5344 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)O 62a_200025704644_100000233757 [0,2,0,0,0,0|1,1,0]=4 5345 B13R1.145 CN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_200000210301 [0,2,0,0,0,0|1,0,1]=4 5346 B13R1.145 CN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_200000210301 [0,2,0,0,0,0|1,0,1]=4 5347 B13R1.145 [13CH3]N[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_200025704644 [0,2,0,0,0,0|1,0,1]=4 5348 B13R1.145 [13CH3]N[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_200025704644 [0,2,0,0,0,0|1,0,1]=4 5349 B13R1.2679 C#CC(=O)Cc1ccc(cc1Br)Br 1458a_100000211873_200012351560 [0,2,0,0,0,0|2,0,0]=4 5350 B13R1.2679 C#CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000211873_100000755608 [0,2,0,0,0,0|2,0,0]=4 5351 B13R1.2679 C#CC(=O)Cc1ccc(cc1Br)F 1458a_100000211873_100000243222 [0,2,0,0,0,0|2,0,0]=4 5352 B13R1.2679 C#CC(=O)Cc1ccc(cc1Br)I 1458a_100000211873_100010146610 [0,2,0,0,0,0|2,0,0]=4 5353 B13R1.2679 C#CC(=O)Cc1ccc(cc1C)Br 1458a_100000211873_100000708836 [0,2,0,0,0,0|2,0,0]=4 5354 B13R1.2679 C#CC(=O)Cc1ccc(cc1C)C 1458a_100000211873_100011219618 [0,2,0,0,0,0|2,0,0]=4 5355 B13R1.2679 C#CC(=O)Cc1ccc(cc1C)Cl 1458a_100000211873_100012361307 [0,2,0,0,0,0|2,0,0]=4 5356 B13R1.2679 C#CC(=O)Cc1ccc(cc1C)F 1458a_100000211873_100000700533 [0,2,0,0,0,0|2,0,0]=4 5357 B13R1.2679 C#CC(=O)Cc1ccc(cc1Cl)Br 1458a_100000211873_100011740631 [0,2,0,0,0,0|2,0,0]=4 5358 B13R1.2679 C#CC(=O)Cc1ccc(cc1Cl)C 1458a_100000211873_100012349684 [0,2,0,0,0,0|2,0,0]=4 5359 B13R1.2679 C#CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000211873_100000188473 [0,2,0,0,0,0|2,0,0]=4 5360 B13R1.2679 C#CC(=O)Cc1ccc(cc1Cl)F 1458a_100000211873_100011216360 [0,2,0,0,0,0|2,0,0]=4 5361 B13R1.2679 C#CC(=O)Cc1ccc(cc1F)Br 1458a_100000211873_100000211606 [0,2,0,0,0,0|2,0,0]=4 5362 B13R1.2679 C#CC(=O)Cc1ccc(cc1F)C 1458a_100000211873_100012002367 [0,2,0,0,0,0|2,0,0]=4 5363 B13R1.2679 C#CC(=O)Cc1ccc(cc1F)Cl 1458a_100000211873_100000709361 [0,2,0,0,0,0|2,0,0]=4 5364 B13R1.2679 C#CC(=O)Cc1ccc(cc1F)F 1458a_100000211873_100000748237 [0,2,0,0,0,0|2,0,0]=4 5365 B13R1.2679 C#CC(=O)Cc1ccc(cc1F)I 1458a_100000211873_100010244991 [0,2,0,0,0,0|2,0,0]=4 5366 B13R1.2679 C#CC(=O)Cc1ccc(cc1I)Br 1458a_100000211873_100010146615 [0,2,0,0,0,0|2,0,0]=4 5367 B13R1.2679 C#CC(=O)Cc1ccc(cc1I)Cl 1458a_100000211873_100010254388 [0,2,0,0,0,0|2,0,0]=4 5368 B13R1.2679 C#CC(=O)Cc1ccc(cc1I)F 1458a_100000211873_100012354799 [0,2,0,0,0,0|2,0,0]=4 5369 B13R1.2679 C=CC(=O)Cc1ccc(cc1Br)Br 1458a_100000185746_200012351560 [0,2,0,0,0,0|2,0,0]=4 5370 B13R1.2679 C=CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000185746_100000755608 [0,2,0,0,0,0|2,0,0]=4 5371 B13R1.2679 C=CC(=O)Cc1ccc(cc1Br)F 1458a_100000185746_100000243222 [0,2,0,0,0,0|2,0,0]=4 5372 B13R1.2679 C=CC(=O)Cc1ccc(cc1Br)I 1458a_100000185746_100010146610 [0,2,0,0,0,0|2,0,0]=4 5373 B13R1.2679 C=CC(=O)Cc1ccc(cc1C)Br 1458a_100000185746_100000708836 [0,2,0,0,0,0|2,0,0]=4 5374 B13R1.2679 C=CC(=O)Cc1ccc(cc1C)C 1458a_100000185746_100011219618 [0,2,0,0,0,0|2,0,0]=4 5375 B13R1.2679 C=CC(=O)Cc1ccc(cc1C)Cl 1458a_100000185746_100012361307 [0,2,0,0,0,0|2,0,0]=4 5376 B13R1.2679 C=CC(=O)Cc1ccc(cc1C)F 1458a_100000185746_100000700533 [0,2,0,0,0,0|2,0,0]=4 5377 B13R1.2679 C=CC(=O)Cc1ccc(cc1Cl)Br 1458a_100000185746_100011740631 [0,2,0,0,0,0|2,0,0]=4 5378 B13R1.2679 C=CC(=O)Cc1ccc(cc1Cl)C 1458a_100000185746_100012349684 [0,2,0,0,0,0|2,0,0]=4 5379 B13R1.2679 C=CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000185746_100000188473 [0,2,0,0,0,0|2,0,0]=4 5380 B13R1.2679 C=CC(=O)Cc1ccc(cc1Cl)F 1458a_100000185746_100011216360 [0,2,0,0,0,0|2,0,0]=4 5381 B13R1.2679 C=CC(=O)Cc1ccc(cc1F)Br 1458a_100000185746_100000211606 [0,2,0,0,0,0|2,0,0]=4 5382 B13R1.2679 C=CC(=O)Cc1ccc(cc1F)C 1458a_100000185746_100012002367 [0,2,0,0,0,0|2,0,0]=4 5383 B13R1.2679 C=CC(=O)Cc1ccc(cc1F)Cl 1458a_100000185746_100000709361 [0,2,0,0,0,0|2,0,0]=4 5384 B13R1.2679 C=CC(=O)Cc1ccc(cc1F)F 1458a_100000185746_100000748237 [0,2,0,0,0,0|2,0,0]=4 5385 B13R1.2679 C=CC(=O)Cc1ccc(cc1F)I 1458a_100000185746_100010244991 [0,2,0,0,0,0|2,0,0]=4 5386 B13R1.2679 C=CC(=O)Cc1ccc(cc1I)Br 1458a_100000185746_100010146615 [0,2,0,0,0,0|2,0,0]=4 5387 B13R1.2679 C=CC(=O)Cc1ccc(cc1I)Cl 1458a_100000185746_100010254388 [0,2,0,0,0,0|2,0,0]=4 5388 B13R1.2679 C=CC(=O)Cc1ccc(cc1I)F 1458a_100000185746_100012354799 [0,2,0,0,0,0|2,0,0]=4 5389 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000185746 [0,2,0,0,0,0|2,0,0]=4 5390 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000185746 [0,2,0,0,0,0|2,0,0]=4 5391 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000185746 [0,2,0,0,0,0|2,0,0]=4 5392 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000185746 [0,2,0,0,0,0|2,0,0]=4 5393 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000185746 [0,2,0,0,0,0|2,0,0]=4 5394 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000185746 [0,2,0,0,0,0|2,0,0]=4 5395 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)Br 1458a_100000210414_200012351560 [0,2,0,0,0,0|2,0,0]=4 5396 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_100000210202 [0,2,0,0,0,0|2,0,0]=4 5397 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)Cl 1458a_100000210414_100000755608 [0,2,0,0,0,0|2,0,0]=4 5398 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_100000210202 [0,2,0,0,0,0|2,0,0]=4 5399 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)F 1458a_100000210414_100000243222 [0,2,0,0,0,0|2,0,0]=4 5400 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)F 1458a_100000708238_100000210202 [0,2,0,0,0,0|2,0,0]=4 5401 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)I 1458a_100000210414_100010146610 [0,2,0,0,0,0|2,0,0]=4 5402 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_100000210202 [0,2,0,0,0,0|1,0,0]=3 5403 B13R1.2679 CCC(=O)Cc1ccc(cc1C)Br 1458a_100000210414_100000708836 [0,2,0,0,0,0|2,0,0]=4 5404 B13R1.2679 CCC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_100000210202 [0,2,0,0,0,0|2,0,0]=4 5405 B13R1.2679 CCC(=O)Cc1ccc(cc1C)C 1458a_100000210414_100011219618 [0,2,0,0,0,0|2,0,0]=4 5406 B13R1.2679 CCC(=O)Cc1ccc(cc1C)C 1458a_100011236500_100000210202 [0,2,0,0,0,0|2,0,0]=4 5407 B13R1.2679 CCC(=O)Cc1ccc(cc1C)Cl 1458a_100000210414_100012361307 [0,2,0,0,0,0|2,0,0]=4 5408 B13R1.2679 CCC(=O)Cc1ccc(cc1C)F 1458a_100000210414_100000700533 [0,2,0,0,0,0|2,0,0]=4 5409 B13R1.2679 CCC(=O)Cc1ccc(cc1C)F 1458a_100011667441_100000210202 [0,2,0,0,0,0|2,0,0]=4 5410 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)Br 1458a_100000210414_100011740631 [0,2,0,0,0,0|2,0,0]=4 5411 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_100000210202 [0,2,0,0,0,0|2,0,0]=4 5412 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)C 1458a_100000210414_100012349684 [0,2,0,0,0,0|2,0,0]=4 5413 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210414_100000188473 [0,2,0,0,0,0|2,0,0]=4 5414 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_100000210202 [0,2,0,0,0,0|2,0,0]=4 5415 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)F 1458a_100000210414_100011216360 [0,2,0,0,0,0|2,0,0]=4 5416 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_100000210202 [0,2,0,0,0,0|2,0,0]=4 5417 B13R1.2679 CCC(=O)Cc1ccc(cc1F)Br 1458a_100000210414_100000211606 [0,2,0,0,0,0|2,0,0]=4 5418 B13R1.2679 CCC(=O)Cc1ccc(cc1F)Br 1458a_100011295475_100000210202 [0,2,0,0,0,0|2,0,0]=4 5419 B13R1.2679 CCC(=O)Cc1ccc(cc1F)C 1458a_100000042674_100000210202 [0,2,0,0,0,0|2,0,0]=4 5420 B13R1.2679 CCC(=O)Cc1ccc(cc1F)C 1458a_100000210414_100012002367 [0,2,0,0,0,0|2,0,0]=4 5421 B13R1.2679 CCC(=O)Cc1ccc(cc1F)Cl 1458a_100000210414_100000709361 [0,2,0,0,0,0|2,0,0]=4 5422 B13R1.2679 CCC(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_100000210202 [0,2,0,0,0,0|2,0,0]=4 5423 B13R1.2679 CCC(=O)Cc1ccc(cc1F)F 1458a_100000210414_100000748237 [0,2,0,0,0,0|2,0,0]=4 5424 B13R1.2679 CCC(=O)Cc1ccc(cc1F)F 1458a_100000684719_100000210202 [0,2,0,0,0,0|2,0,0]=4 5425 B13R1.2679 CCC(=O)Cc1ccc(cc1F)I 1458a_100000210414_100010244991 [0,2,0,0,0,0|2,0,0]=4 5426 B13R1.2679 CCC(=O)Cc1ccc(cc1F)I 1458a_100010149628_100000210202 [0,2,0,0,0,0|2,0,0]=4 5427 B13R1.2679 CCC(=O)Cc1ccc(cc1F)O 1458a_100000090534_100000210202 [0,2,0,0,0,0|1,0,0]=3 5428 B13R1.2679 CCC(=O)Cc1ccc(cc1I)Br 1458a_100000210414_100010146615 [0,2,0,0,0,0|2,0,0]=4 5429 B13R1.2679 CCC(=O)Cc1ccc(cc1I)Cl 1458a_100000210414_100010254388 [0,2,0,0,0,0|2,0,0]=4 5430 B13R1.2679 CCC(=O)Cc1ccc(cc1I)F 1458a_100000210414_100012354799 [0,2,0,0,0,0|2,0,0]=4 5431 B13R1.2679 CCC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_100000210202 [0,2,0,0,0,0|2,0,0]=4 5432 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000210414 [0,2,0,0,0,0|2,0,0]=4 5433 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100000210414 [0,2,0,0,0,0|2,0,0]=4 5434 B13R1.2679 CCC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000210414 [0,2,0,0,0,0|2,0,0]=4 5435 B13R1.2679 CCC(=O)Nc1ccc(cc1C)O 527a_100000756630_100000210414 [0,2,0,0,0,0|2,0,0]=4 5436 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000210414 [0,2,0,0,0,0|2,0,0]=4 5437 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100000210414 [0,2,0,0,0,0|2,0,0]=4 5438 B13R1.2679 CCC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000210414 [0,2,0,0,0,0|2,0,0]=4 5439 B13R1.2679 CCC(=O)Nc1ccc(cc1F)O 527a_100000759473_100000210414 [0,2,0,0,0,0|2,0,0]=4 5440 B13R1.2679 CCC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000210414 [0,2,0,0,0,0|2,0,0]=4 5441 B13R1.2679 CCC(=O)Nc1ccc(cc1I)O 527a_100010084370_100000210414 [0,2,0,0,0,0|2,0,0]=4 5442 B13R1.2679 CCC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000210414 [0,2,0,0,0,0|2,0,0]=4 5443 B13R1.2679 CCC(=O)Nc1ccc(cc1O)O 527a_100000106777_100000210414 [0,2,0,0,0,0|2,0,0]=4 5444 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Br 11a_106832991635_100010172832 [0,2,0,0,0,0|2,0,0]=4 5445 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Br 240690a_100102657272_100010172832 [0,2,0,0,0,0|2,0,0]=4 5446 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Br 527a_100102657272_100010172832 [0,2,0,0,0,0|2,0,0]=4 5447 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 11a_106832991635_100000755479 [0,2,0,0,0,0|2,0,0]=4 5448 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 1626a_100102657272_100000755479 [0,2,0,0,0,0|2,0,0]=4 5449 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 240690a_100102657272_100000755479 [0,2,0,0,0,0|2,0,0]=4 5450 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 527a_100102657272_100000755479 [0,2,0,0,0,0|2,0,0]=4 5451 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 11a_106832991635_100000708238 [0,2,0,0,0,0|2,0,0]=4 5452 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 1626a_100102657272_100000708238 [0,2,0,0,0,0|2,0,0]=4 5453 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 240690a_100102657272_100000708238 [0,2,0,0,0,0|2,0,0]=4 5454 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 527a_100102657272_100000708238 [0,2,0,0,0,0|2,0,0]=4 5455 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)O 240690a_100102657272_100010176083 [0,2,0,0,0,0|1,0,0]=3 5456 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)O 527a_100102657272_100010176083 [0,2,0,0,0,0|1,0,0]=3 5457 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 11a_106832991635_100000697930 [0,2,0,0,0,0|2,0,0]=4 5458 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 1626a_100102657272_100000697930 [0,2,0,0,0,0|2,0,0]=4 5459 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 240690a_100102657272_100000697930 [0,2,0,0,0,0|2,0,0]=4 5460 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 527a_100102657272_100000697930 [0,2,0,0,0,0|2,0,0]=4 5461 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 11a_106832991635_100011236500 [0,2,0,0,0,0|2,0,0]=4 5462 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 1626a_100102657272_100011236500 [0,2,0,0,0,0|2,0,0]=4 5463 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 240690a_100102657272_100011236500 [0,2,0,0,0,0|2,0,0]=4 5464 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 527a_100102657272_100011236500 [0,2,0,0,0,0|2,0,0]=4 5465 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 11a_106832991635_100011667441 [0,2,0,0,0,0|2,0,0]=4 5466 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 1626a_100102657272_100011667441 [0,2,0,0,0,0|2,0,0]=4 5467 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 240690a_100102657272_100011667441 [0,2,0,0,0,0|2,0,0]=4 5468 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 527a_100102657272_100011667441 [0,2,0,0,0,0|2,0,0]=4 5469 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 11a_106832991635_100012361378 [0,2,0,0,0,0|2,0,0]=4 5470 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 1626a_100102657272_100012361378 [0,2,0,0,0,0|2,0,0]=4 5471 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 240690a_100102657272_100012361378 [0,2,0,0,0,0|2,0,0]=4 5472 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 527a_100102657272_100012361378 [0,2,0,0,0,0|2,0,0]=4 5473 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 11a_106832991635_100000210926 [0,2,0,0,0,0|2,0,0]=4 5474 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 1626a_100102657272_100000210926 [0,2,0,0,0,0|2,0,0]=4 5475 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 240690a_100102657272_100000210926 [0,2,0,0,0,0|2,0,0]=4 5476 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 527a_100102657272_100000210926 [0,2,0,0,0,0|2,0,0]=4 5477 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 11a_106832991635_100000690284 [0,2,0,0,0,0|2,0,0]=4 5478 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 1626a_100102657272_100000690284 [0,2,0,0,0,0|2,0,0]=4 5479 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 240690a_100102657272_100000690284 [0,2,0,0,0,0|2,0,0]=4 5480 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 527a_100102657272_100000690284 [0,2,0,0,0,0|2,0,0]=4 5481 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 11a_106832991635_100011295475 [0,2,0,0,0,0|2,0,0]=4 5482 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 1626a_100102657272_100011295475 [0,2,0,0,0,0|2,0,0]=4 5483 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 240690a_100102657272_100011295475 [0,2,0,0,0,0|2,0,0]=4 5484 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 527a_100102657272_100011295475 [0,2,0,0,0,0|2,0,0]=4 5485 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 11a_106832991635_100000042674 [0,2,0,0,0,0|2,0,0]=4 5486 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 1626a_100102657272_100000042674 [0,2,0,0,0,0|2,0,0]=4 5487 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 240690a_100102657272_100000042674 [0,2,0,0,0,0|2,0,0]=4 5488 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 527a_100102657272_100000042674 [0,2,0,0,0,0|2,0,0]=4 5489 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 11a_106832991635_100011830378 [0,2,0,0,0,0|2,0,0]=4 5490 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 1626a_100102657272_100011830378 [0,2,0,0,0,0|2,0,0]=4 5491 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 240690a_100102657272_100011830378 [0,2,0,0,0,0|2,0,0]=4 5492 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 527a_100102657272_100011830378 [0,2,0,0,0,0|2,0,0]=4 5493 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 11a_106832991635_100000684719 [0,2,0,0,0,0|2,0,0]=4 5494 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 1626a_100102657272_100000684719 [0,2,0,0,0,0|2,0,0]=4 5495 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 240690a_100102657272_100000684719 [0,2,0,0,0,0|2,0,0]=4 5496 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 527a_100102657272_100000684719 [0,2,0,0,0,0|2,0,0]=4 5497 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 11a_106832991635_100010149628 [0,2,0,0,0,0|2,0,0]=4 5498 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 1626a_100102657272_100010149628 [0,2,0,0,0,0|2,0,0]=4 5499 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 240690a_100102657272_100010149628 [0,2,0,0,0,0|2,0,0]=4 5500 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 527a_100102657272_100010149628 [0,2,0,0,0,0|2,0,0]=4 5501 B13R1.2679 CNC(=O)Cc1ccc(cc1F)O 240690a_100102657272_100000090534 [0,2,0,0,0,0|1,0,0]=3 5502 B13R1.2679 CNC(=O)Cc1ccc(cc1F)O 527a_100102657272_100000090534 [0,2,0,0,0,0|1,0,0]=3 5503 B13R1.2679 CNC(=O)Cc1ccc(cc1O)Br 240690a_100102657272_100000707504 [0,2,0,0,0,0|2,0,0]=4 5504 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)O 2430a_100012001276_100102657272 [0,2,0,0,0,0|2,0,0]=4 5505 B13R1.2679 CNC(=O)Nc1ccc(cc1C)O 2430a_100000756630_100102657272 [0,2,0,0,0,0|2,0,0]=4 5506 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)O 2430a_100011215599_100102657272 [0,2,0,0,0,0|2,0,0]=4 5507 B13R1.2679 CNC(=O)Nc1ccc(cc1F)O 2430a_100000759473_100102657272 [0,2,0,0,0,0|2,0,0]=4 5508 B13R1.2679 CNC(=O)Nc1ccc(cc1I)O 2430a_100010084370_100102657272 [0,2,0,0,0,0|2,0,0]=4 5509 B13R1.2679 CNC(=O)Nc1ccc(cc1O)O 2430a_100000106777_100102657272 [0,2,0,0,0,0|2,0,0]=4 5510 B13R1.2679 COC(=O)Cc1ccc(cc1F)O 271570a_203496583355_100013023952 [0,2,0,0,0,0|0,0,0]=2 5511 B13R1.2679 COC(=O)Cc1ccc(cc1O)F 271570a_203496583355_200012569216 [0,2,0,0,0,0|1,0,0]=3 5512 B13R1.2679 COC(=O)Cc1ccc(cc1O)O 271570a_203496583355_100010150832 [0,2,0,0,0,0|0,0,0]=2 5513 B13R1.2679 COC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000750523 [0,2,0,0,0,0|2,0,0]=4 5514 B13R1.2679 Cc1cc(ccc1CC(=O)CF)Br 1458a_100000697930_100015361967 [0,2,0,0,0,0|2,0,0]=4 5515 B13R1.2679 Cc1cc(ccc1CC(=O)CF)F 1458a_100011667441_100015361967 [0,2,0,0,0,0|2,0,0]=4 5516 B13R1.2679 Cc1cc(ccc1CC(=O)CO)Br 1458a_100000210174_100000708836 [0,2,0,0,0,0|1,0,0]=3 5517 B13R1.2679 Cc1cc(ccc1CC(=O)CO)Cl 1458a_100000210174_100012361307 [0,2,0,0,0,0|1,0,0]=3 5518 B13R1.2679 Cc1cc(ccc1CC(=O)CO)F 1458a_100000210174_100000700533 [0,2,0,0,0,0|1,0,0]=3 5519 B13R1.2679 Cc1cc(ccc1NC(=O)CO)Br 22a_100000211769_100000210174 [0,2,0,0,0,0|2,0,0]=4 5520 B13R1.2679 Cc1cc(ccc1NC(=O)CO)Cl 22a_100000210418_100000210174 [0,2,0,0,0,0|2,0,0]=4 5521 B13R1.2679 Cc1cc(ccc1NC(=O)CO)F 22a_100000211637_100000210174 [0,2,0,0,0,0|2,0,0]=4 5522 B13R1.2679 Cc1cc(ccc1NC(=O)CO)F 527a_100000211637_100000210174 [0,2,0,0,0,0|2,0,0]=4 5523 B13R1.2679 Cc1cc(ccc1NC(=O)CO)I 22a_100000184554_100000210174 [0,2,0,0,0,0|2,0,0]=4 5524 B13R1.2679 Cc1cc(ccc1NC(=O)CO)O 22a_100000756630_100000210174 [0,2,0,0,0,0|1,0,0]=3 5525 B13R1.2679 Cc1cc(ccc1NC(=O)CO)O 527a_100000756630_100000210174 [0,2,0,0,0,0|1,0,0]=3 5526 B13R1.2679 Cc1cc(ncc1CC(=O)CO)F 1458a_100000210174_100010382440 [0,2,0,0,0,0|2,0,0]=4 5527 B13R1.2679 Cc1ccc(c(c1)C)CC(=O)CF 1458a_100011236500_100015361967 [0,2,0,0,0,0|2,0,0]=4 5528 B13R1.2679 Cc1ccc(c(c1)C)CC(=O)CO 1458a_100000210174_100011219618 [0,2,0,0,0,0|1,0,0]=3 5529 B13R1.2679 Cc1ccc(c(c1)C)NC(=O)CO 22a_100000736561_100000210174 [0,2,0,0,0,0|2,0,0]=4 5530 B13R1.2679 Cc1ccc(c(c1)C)NC(=O)CO 527a_100000736561_100000210174 [0,2,0,0,0,0|2,0,0]=4 5531 B13R1.2679 Cc1ccc(c(c1)Cl)CC(=O)CO 1458a_100000210174_100012349684 [0,2,0,0,0,0|1,0,0]=3 5532 B13R1.2679 Cc1ccc(c(c1)Cl)NC(=O)CO 22a_100000210522_100000210174 [0,2,0,0,0,0|2,0,0]=4 5533 B13R1.2679 Cc1ccc(c(c1)F)CC(=O)CF 1458a_100000042674_100015361967 [0,2,0,0,0,0|2,0,0]=4 5534 B13R1.2679 Cc1ccc(c(c1)F)CC(=O)CO 1458a_100000210174_100012002367 [0,2,0,0,0,0|1,0,0]=3 5535 B13R1.2679 Cc1ccc(c(c1)F)NC(=O)CO 22a_100000211023_100000210174 [0,2,0,0,0,0|2,0,0]=4 5536 B13R1.2679 Cc1ccc(c(c1)F)NC(=O)CO 527a_100000211023_100000210174 [0,2,0,0,0,0|2,0,0]=4 5537 B13R1.2679 Cc1ccc(c(c1)O)NC(=O)CO 22a_100000211527_100000210174 [0,2,0,0,0,0|2,0,0]=4 5538 B13R1.2679 Cc1ccc(c(c1)O)NC(=O)CO 527a_100000211527_100000210174 [0,2,0,0,0,0|2,0,0]=4 5539 B13R1.2679 Cc1ccc(c(n1)Br)CC(=O)CO 1458a_100000210174_200010064658 [0,2,0,0,0,0|2,0,0]=4 5540 B13R1.2679 Cc1cnc(c(c1)C)CC(=O)CO 1458a_100000210174_100016990036 [0,2,0,0,0,0|2,0,0]=4 5541 B13R1.2679 O=C(CF)Cc1ccc(cc1Br)Br 1458a_100010172832_100015361967 [0,2,0,0,0,0|2,0,0]=4 5542 B13R1.2679 O=C(CF)Cc1ccc(cc1Br)Cl 1458a_100000755479_100015361967 [0,2,0,0,0,0|2,0,0]=4 5543 B13R1.2679 O=C(CF)Cc1ccc(cc1Br)F 1458a_100000708238_100015361967 [0,2,0,0,0,0|2,0,0]=4 5544 B13R1.2679 O=C(CF)Cc1ccc(cc1Br)O 1458a_100010176083_100015361967 [0,2,0,0,0,0|1,0,0]=3 5545 B13R1.2679 O=C(CF)Cc1ccc(cc1Cl)Br 1458a_100012361378_100015361967 [0,2,0,0,0,0|2,0,0]=4 5546 B13R1.2679 O=C(CF)Cc1ccc(cc1Cl)Cl 1458a_100000210926_100015361967 [0,2,0,0,0,0|2,0,0]=4 5547 B13R1.2679 O=C(CF)Cc1ccc(cc1Cl)F 1458a_100000690284_100015361967 [0,2,0,0,0,0|2,0,0]=4 5548 B13R1.2679 O=C(CF)Cc1ccc(cc1F)Br 1458a_100011295475_100015361967 [0,2,0,0,0,0|2,0,0]=4 5549 B13R1.2679 O=C(CF)Cc1ccc(cc1F)Cl 1458a_100011830378_100015361967 [0,2,0,0,0,0|2,0,0]=4 5550 B13R1.2679 O=C(CF)Cc1ccc(cc1F)F 1458a_100000684719_100015361967 [0,2,0,0,0,0|2,0,0]=4 5551 B13R1.2679 O=C(CF)Cc1ccc(cc1F)I 1458a_100010149628_100015361967 [0,2,0,0,0,0|2,0,0]=4 5552 B13R1.2679 O=C(CF)Cc1ccc(cc1F)O 1458a_100000090534_100015361967 [0,2,0,0,0,0|1,0,0]=3 5553 B13R1.2679 O=C(CF)Cc1ccc(cc1O)Br 1458a_100000707504_100015361967 [0,2,0,0,0,0|2,0,0]=4 5554 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)Br 1458a_100000210174_200012351560 [0,2,0,0,0,0|1,0,0]=3 5555 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)Cl 1458a_100000210174_100000755608 [0,2,0,0,0,0|1,0,0]=3 5556 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)F 1458a_100000210174_100000243222 [0,2,0,0,0,0|1,0,0]=3 5557 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)I 1458a_100000210174_100010146610 [0,2,0,0,0,0|1,0,0]=3 5558 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)Br 1458a_100000210174_100011740631 [0,2,0,0,0,0|1,0,0]=3 5559 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)Cl 1458a_100000210174_100000188473 [0,2,0,0,0,0|1,0,0]=3 5560 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)F 1458a_100000210174_100011216360 [0,2,0,0,0,0|1,0,0]=3 5561 B13R1.2679 O=C(CO)Cc1ccc(cc1F)Br 1458a_100000210174_100000211606 [0,2,0,0,0,0|1,0,0]=3 5562 B13R1.2679 O=C(CO)Cc1ccc(cc1F)Cl 1458a_100000210174_100000709361 [0,2,0,0,0,0|1,0,0]=3 5563 B13R1.2679 O=C(CO)Cc1ccc(cc1F)F 1458a_100000210174_100000748237 [0,2,0,0,0,0|1,0,0]=3 5564 B13R1.2679 O=C(CO)Cc1ccc(cc1F)I 1458a_100000210174_100010244991 [0,2,0,0,0,0|1,0,0]=3 5565 B13R1.2679 O=C(CO)Cc1ccc(cc1I)Br 1458a_100000210174_100010146615 [0,2,0,0,0,0|1,0,0]=3 5566 B13R1.2679 O=C(CO)Cc1ccc(cc1I)Cl 1458a_100000210174_100010254388 [0,2,0,0,0,0|1,0,0]=3 5567 B13R1.2679 O=C(CO)Cc1ccc(cc1I)F 1458a_100000210174_100012354799 [0,2,0,0,0,0|1,0,0]=3 5568 B13R1.2679 O=C(CO)Cc1ccc(nc1Cl)Cl 1458a_100000210174_100000722033 [0,2,0,0,0,0|2,0,0]=4 5569 B13R1.2679 O=C(CO)Cc1cnc(cc1Cl)Cl 1458a_100000210174_100011997056 [0,2,0,0,0,0|2,0,0]=4 5570 B13R1.2679 O=C(CO)Cc1ncc(cc1F)Cl 1458a_100000210174_200009879301 [0,2,0,0,0,0|2,0,0]=4 5571 B13R1.2679 O=C(CO)Nc1ccc(cc1Br)O 22a_100012001276_100000210174 [0,2,0,0,0,0|1,0,0]=3 5572 B13R1.2679 O=C(CO)Nc1ccc(cc1Br)O 527a_100012001276_100000210174 [0,2,0,0,0,0|1,0,0]=3 5573 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000210174 [0,2,0,0,0,0|2,0,0]=4 5574 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)F 22a_100000212003_100000210174 [0,2,0,0,0,0|2,0,0]=4 5575 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)I 22a_100011218065_100000210174 [0,2,0,0,0,0|2,0,0]=4 5576 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)O 22a_100011215599_100000210174 [0,2,0,0,0,0|1,0,0]=3 5577 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)O 527a_100011215599_100000210174 [0,2,0,0,0,0|1,0,0]=3 5578 B13R1.2679 O=C(CO)Nc1ccc(cc1F)Br 22a_100000210722_100000210174 [0,2,0,0,0,0|2,0,0]=4 5579 B13R1.2679 O=C(CO)Nc1ccc(cc1F)Cl 22a_100000211020_100000210174 [0,2,0,0,0,0|2,0,0]=4 5580 B13R1.2679 O=C(CO)Nc1ccc(cc1F)F 22a_100000210720_100000210174 [0,2,0,0,0,0|2,0,0]=4 5581 B13R1.2679 O=C(CO)Nc1ccc(cc1F)I 22a_100011215594_100000210174 [0,2,0,0,0,0|2,0,0]=4 5582 B13R1.2679 O=C(CO)Nc1ccc(cc1F)O 22a_100000759473_100000210174 [0,2,0,0,0,0|1,0,0]=3 5583 B13R1.2679 O=C(CO)Nc1ccc(cc1F)O 527a_100000759473_100000210174 [0,2,0,0,0,0|1,0,0]=3 5584 B13R1.2679 O=C(CO)Nc1ccc(cc1I)F 22a_100000760547_100000210174 [0,2,0,0,0,0|2,0,0]=4 5585 B13R1.2679 O=C(CO)Nc1ccc(cc1I)O 22a_100010084370_100000210174 [0,2,0,0,0,0|1,0,0]=3 5586 B13R1.2679 O=C(CO)Nc1ccc(cc1I)O 527a_100010084370_100000210174 [0,2,0,0,0,0|1,0,0]=3 5587 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Br 22a_100000739049_100000210174 [0,2,0,0,0,0|2,0,0]=4 5588 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Br 527a_100000739049_100000210174 [0,2,0,0,0,0|2,0,0]=4 5589 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Cl 22a_100000185728_100000210174 [0,2,0,0,0,0|2,0,0]=4 5590 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Cl 527a_100000185728_100000210174 [0,2,0,0,0,0|2,0,0]=4 5591 B13R1.2679 O=C(CO)Nc1ccc(cc1O)F 22a_100000753323_100000210174 [0,2,0,0,0,0|2,0,0]=4 5592 B13R1.2679 O=C(CO)Nc1ccc(cc1O)F 527a_100000753323_100000210174 [0,2,0,0,0,0|2,0,0]=4 5593 B13R1.2679 O=C(CO)Nc1ccc(cc1O)I 22a_100000057187_100000210174 [0,2,0,0,0,0|2,0,0]=4 5594 B13R1.2679 O=C(CO)Nc1ccc(cc1O)I 527a_100000057187_100000210174 [0,2,0,0,0,0|2,0,0]=4 5595 B13R1.2679 O=C(CO)Nc1ccc(cc1O)O 22a_100000106777_100000210174 [0,2,0,0,0,0|1,0,0]=3 5596 B13R1.2679 O=C(CO)Nc1ccc(cc1O)O 527a_100000106777_100000210174 [0,2,0,0,0,0|1,0,0]=3 5597 B13R1.883 CS(=O)(=O)Cc1ccc(cc1F)O 271570a_203496583355_100009814645 [0,2,0,0,0,0|1,0,1]=4 5598 B13R1.51 CC(=O)Cc1ccc(cc1C#N)Br 1458a_100000070787_100000687761 [0,2,0,0,0,0|2,0,0]=4 5599 B13R1.51 CC(=O)Cc1ccc(cc1C#N)Cl 1458a_100000070787_100000702095 [0,2,0,0,0,0|2,0,0]=4 5600 B13R1.51 CC(=O)Cc1ccc(cc1C#N)F 1458a_100000070787_100000751460 [0,2,0,0,0,0|2,0,0]=4 5601 B13R1.51 CC(=O)Cc1ccc(cc1C=O)F 1458a_100000070787_100010132769 [0,2,0,0,0,0|2,0,0]=4 5602 B13R1.51 CC(=O)Nc1ccc(cc1C#N)O 527a_200011997737_100103153847 [0,2,0,0,0,0|2,0,0]=4 5603 B13R1.51 COc1cc(ccc1CC(=O)C)Br 1458a_100000070787_100012359436 [0,2,0,0,0,0|2,0,0]=4 5604 B13R1.51 COc1cc(ccc1CC(=O)C)Br 1458a_100010245118_200000210301 [0,2,0,0,0,0|2,0,0]=4 5605 B13R1.51 COc1cc(ccc1CC(=O)C)Cl 1458a_100010217541_200000210301 [0,2,0,0,0,0|2,0,0]=4 5606 B13R1.51 COc1cc(ccc1CC(=O)C)F 1458a_100000062011_200000210301 [0,2,0,0,0,0|2,0,0]=4 5607 B13R1.51 COc1cc(ccc1CC(=O)C)F 1458a_100000070787_200010171551 [0,2,0,0,0,0|2,0,0]=4 5608 B13R1.51 COc1cc(ccc1CC(=O)[13CH3])Br 1458a_100010245118_200025704644 [0,2,0,0,0,0|2,0,0]=4 5609 B13R1.51 COc1cc(ccc1CC(=O)[13CH3])Cl 1458a_100010217541_200025704644 [0,2,0,0,0,0|2,0,0]=4 5610 B13R1.51 COc1cc(ccc1CC(=O)[13CH3])F 1458a_100000062011_200025704644 [0,2,0,0,0,0|2,0,0]=4 5611 B13R1.51 COc1cc(ccc1NC(=O)C)O 22a_100015326901_100000070787 [0,2,0,0,0,0|2,0,0]=4 5612 B13R1.51 COc1cc(ccc1NC(=O)C)O 271570a_203496583355_100009813048 [0,2,0,0,0,0|2,0,0]=4 5613 B13R1.51 COc1cc(ccc1NC(=O)C)O 527a_100015326901_100103153847 [0,2,0,0,0,0|2,0,0]=4 5614 B13R1.2808 CC(=O)Cc1c(cc(cc1Br)F)F 1458a_100000070787_100015786123 [0,2,0,0,0,0|2,0,0]=4 5615 B13R1.2808 CC(=O)Cc1c(cc(cc1C)C)C 1458a_100000070787_100000749405 [0,2,0,0,0,0|2,0,0]=4 5616 B13R1.2808 CC(=O)Cc1c(cc(cc1C)C)C 1458a_100000696705_200000210301 [0,2,0,0,0,0|2,0,0]=4 5617 B13R1.2808 CC(=O)Cc1c(cc(cc1Cl)Cl)Cl 1458a_100000070787_100012339996 [0,2,0,0,0,0|2,0,0]=4 5618 B13R1.2808 CC(=O)Cc1c(cc(cc1F)Br)F 1458a_100000070787_100012355225 [0,2,0,0,0,0|2,0,0]=4 5619 B13R1.2808 CC(=O)Cc1c(cc(cc1F)Br)F 1458a_100009813797_200000210301 [0,2,0,0,0,0|2,0,0]=4 5620 B13R1.2808 CC(=O)Cc1c(cc(cc1F)Cl)F 1458a_100000070787_100009813723 [0,2,0,0,0,0|2,0,0]=4 5621 B13R1.2808 CC(=O)Cc1c(cc(cc1F)F)F 1458a_100000037057_200000210301 [0,2,0,0,0,0|2,0,0]=4 5622 B13R1.2808 CC(=O)Cc1c(cc(cc1F)F)F 1458a_100000070787_100011216150 [0,2,0,0,0,0|2,0,0]=4 5623 B13R1.2808 CC(=O)Cn1c(cc(cc1=O)O)C 1458a_100000090369_200000210301 [0,2,0,0,0,0|2,0,0]=4 5624 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)O)Br 527a_200010887395_100103153847 [0,2,0,0,0,0|2,0,0]=4 5625 B13R1.2808 CC(=O)Nc1c(cc(cc1C)O)C 22a_100011934200_100000070787 [0,2,0,0,0,0|2,0,0]=4 5626 B13R1.2808 CC(=O)Nc1c(cc(cc1C)O)C 527a_100011934200_100103153847 [0,2,0,0,0,0|2,0,0]=4 5627 B13R1.2808 CC(=O)Nc1c(cc(cc1F)O)F 1626a_100000036573_100015343762 [0,2,0,0,0,0|2,0,0]=4 5628 B13R1.2808 CC(=O)Nc1c(cc(cc1F)O)F 527a_100000036573_100103153847 [0,2,0,0,0,0|2,0,0]=4 5629 B13R1.2808 CC(=O)Oc1c(cc(cc1C)O)C 271570a_203496583355_200009816532 [0,2,0,0,0,0|2,0,0]=4 5630 B13R1.2808 Cc1cc(c(c(c1)C)CC(=O)[13CH3])C 1458a_100000696705_200025704644 [0,2,0,0,0,0|2,0,0]=4 5631 B13R1.2808 Cc1cc(cc(=O)n1CC(=O)[13CH3])O 1458a_100000090369_200025704644 [0,2,0,0,0,0|2,0,0]=4 5632 B13R1.2808 [13CH3]C(=O)Cc1c(cc(cc1F)Br)F 1458a_100009813797_200025704644 [0,2,0,0,0,0|2,0,0]=4 5633 B13R1.2808 [13CH3]C(=O)Cc1c(cc(cc1F)F)F 1458a_100000037057_200025704644 [0,2,0,0,0,0|2,0,0]=4 5634 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_100011220607_100000185759 [1,0,0,1,0,0|1,0,1]=4 5635 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_203496583355_100009820665 [1,0,0,1,0,0|1,0,1]=4 5636 B11R2.36 Oc1ccc2[nH]ccc2c1 271570a_203496583355_100000211741 [1,0,0,1,0,0|2,0,0]=4 5637 B11R2.36 Oc1ccc2[nH]cnc2c1 271570a_203496583355_100011265325 [1,0,0,1,0,0|2,0,0]=4 5638 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [1,0,0,1,0,0|1,0,0]=3 5639 B11R2.36 Oc1ccc2c(c1)CC=C2 271570a_203496583355_200009818231 [1,0,0,1,0,0|1,0,1]=4 5640 B11R2.36 Oc1ccc2c(c1)CCC2 271570a_203496583355_100000745594 [1,0,0,1,0,0|1,0,1]=4 5641 B11R2.36 Oc1ccc2c(c1)CNC2 271570a_203496583355_100000702344 [1,0,0,1,0,0|2,0,0]=4 5642 B11R2.36 Oc1ccc2c(c1)COC2 271570a_203496583355_100000698232 [1,0,0,1,0,0|2,0,0]=4 5643 B11R2.36 Oc1ccc2c(c1)NCC2 271570a_203496583355_100000754641 [1,0,0,1,0,0|1,0,1]=4 5644 B11R2.36 Oc1ccc2c(c1)OCC2 271570a_203496583355_100009818566 [1,0,0,1,0,0|0,0,1]=3 5645 B11R2.36 Oc1ccc2c(c1)OCO2 271570a_203496583355_100000688060 [1,0,0,1,0,0|1,0,1]=4 5646 B11R2.36 Oc1ccc2cc[nH]c2c1 271570a_203496583355_100000743809 [1,0,0,1,0,0|1,0,1]=4 5647 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [1,0,0,1,0,0|0,0,1]=3 5648 B11R2.36 Oc1ccc2ccsc2c1 271570a_203496583355_100009888917 [1,0,0,1,0,0|0,1,1]=4 5649 B11R2.36 Oc1ccc2cnoc2c1 271570a_203496583355_100009817722 [1,0,0,1,0,0|1,0,1]=4 5650 B11R2.36 Oc1ccc2ncoc2c1 271570a_203496583355_100009817590 [1,0,0,1,0,0|1,0,0]=3 5651 B11R2.36 Oc1ccc2ncsc2c1 271570a_203496583355_100009816678 [1,0,0,1,0,0|1,1,0]=4 5652 B11R2.36 Oc1ccc2occc2c1 271570a_203496583355_100012343831 [1,0,0,1,0,0|2,0,0]=4 5653 B11R2.36 Oc1ccc2ocnc2c1 271570a_203496583355_100009816175 [1,0,0,1,0,0|2,0,0]=4 5654 B11R2.36 Oc1ccc2sccc2c1 271570a_203496583355_100009814439 [1,0,0,1,0,0|2,0,0]=4 5655 B11R2.36 Oc1ccc2scnc2c1 271570a_203496583355_100010005895 [1,0,0,1,0,0|2,0,0]=4 5656 B11R2.36 Oc1cnc2ncoc2c1 271570a_203496583355_100000721906 [1,0,0,1,0,0|2,0,0]=4 5657 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,1,0,0|1,0,1]=4 5658 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,1,0,0|0,0,2]=4 5659 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,1,0,0|0,1,1]=4 5660 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,0,0,1,0,0|2,0,0]=4 5661 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [1,0,0,1,0,0|1,1,0]=4 5662 B13R2.147 O=C1CC(C1)c2ccc(cc2)O 271570a_203496583355_100000741321 [0,0,0,1,0,1|1,0,0]=3 5663 B13R2.147 Oc1ccc(cc1)C2CC(C2)O 271570a_203496583355_200000751978 [0,0,0,1,0,1|1,0,1]=4 5664 B13R2.155 CC1CNc2ccc(cc2O1)O 271570a_203496583355_200010108538 [0,0,0,1,0,1|1,0,1]=4 5665 B13R2.155 O=C1CCc2ccc(cc2C1)O 271570a_203496583355_100010138410 [0,0,0,1,0,1|1,0,0]=3 5666 B13R2.155 O=C1CCc2ccc(cc2N1)O 271570a_203496583355_100000763451 [0,0,0,1,0,1|1,0,0]=3 5667 B13R2.155 O=C1COc2ccc(cc2N1)O 271570a_203496583355_100000244627 [0,0,0,1,0,1|1,0,0]=3 5668 B13R2.155 O=C1COc2ccc(nc2N1)O 271570a_203496583355_100010235088 [0,0,0,1,0,1|2,0,0]=4 5669 B13R2.155 O=C1COc2ncc(cc2N1)O 271570a_203496583355_100000699640 [0,0,0,1,0,1|2,0,0]=4 5670 B13R2.155 O=C1CSc2ccc(cc2N1)O 271570a_203496583355_100012361575 [0,0,0,1,0,1|1,0,0]=3 5671 B13R2.155 O=C1NCc2ccc(cc2N1)O 271570a_203496583355_100010161048 [0,0,0,1,0,1|1,0,0]=3 5672 B13R2.155 O=C1Nc2cc(ccc2CO1)O 271570a_203496583355_100000726308 [0,0,0,1,0,1|1,0,0]=3 5673 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [0,0,0,1,0,1|0,0,1]=3 5674 B13R2.155 Oc1ccc2ccc(cc2c1)O 271570a_203496583355_100009816537 [0,0,0,1,0,1|1,0,1]=4 5675 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000079174 [0,0,0,1,0,1|1,0,1]=4 5676 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000690401 [0,0,0,1,0,1|1,0,1]=4 5677 B13R2.155 Oc1ccc2cnc(cc2c1)O 271570a_203496583355_100009817130 [0,0,0,1,0,1|1,0,1]=4 5678 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100000703654 [0,0,0,1,0,1|1,0,1]=4 5679 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100010137430 [0,0,0,1,0,1|1,0,1]=4 5680 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_100010000190 [0,0,0,1,0,1|1,0,1]=4 5681 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_200020640061 [0,0,0,1,0,1|1,0,1]=4 5682 B13R2.527 Oc1ccc(cc1)NCC2CO2 34a_100000185829_102125554688 [0,0,0,1,0,1|1,0,1]=4 5683 B13R2.527 Oc1ccc(cc1)SCC2CO2 62a_102125554688_100000185759 [0,0,0,1,0,1|1,0,1]=4 5684 B13R2.527 Oc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000185759 [0,0,0,1,0,1|1,0,1]=4 5685 B13R2.2121 C=Cc1ccc2[nH]c(=O)oc2c1 271570a_100011290941_100000697996 [0,1,0,1,0,0|2,0,0]=4 5686 B13R2.2121 C=Cc1ccc2c(c1)CC(=O)C2 271570a_100011290941_100010185598 [0,1,0,1,0,0|2,0,0]=4 5687 B13R2.2121 C=Cc1ccc2c(c1)NC(=O)C2 271570a_100011290941_100000760487 [0,1,0,1,0,0|2,0,0]=4 5688 B13R2.2121 COc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200000210301 [0,1,0,1,0,0|1,0,0]=3 5689 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 34a_100000035078_200000210301 [0,1,0,1,0,0|2,0,0]=4 5690 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 7a_100000035078_200000210301 [0,1,0,1,0,0|2,0,0]=4 5691 B13R2.2121 COc1ccc2cc(oc2c1)C 34a_100000095638_200000210301 [0,1,0,1,0,0|1,0,1]=4 5692 B13R2.2121 COc1ccc2cc(oc2c1)C 7a_100000095638_200000210301 [0,1,0,1,0,0|1,0,1]=4 5693 B13R2.2121 COc1ccc2nc(oc2c1)C 34a_100000116946_200000210301 [0,1,0,1,0,0|2,0,0]=4 5694 B13R2.2121 COc1ccc2nc(oc2c1)C 7a_100000116946_200000210301 [0,1,0,1,0,0|2,0,0]=4 5695 B13R2.2121 COc1ccc2nc(sc2c1)O 271570a_203496583355_100010195960 [0,1,0,1,0,0|1,1,0]=4 5696 B13R2.2121 CSc1ccc2[nH]c(=O)oc2c1 62a_200000210301_100000697996 [0,1,0,1,0,0|1,1,0]=4 5697 B13R2.2121 CSc1ccc2c(c1)CC(=O)C2 62a_100010185598_200000210301 [0,1,0,1,0,0|1,1,0]=4 5698 B13R2.2121 CSc1ccc2c(c1)NC(=O)C2 62a_200000210301_100000760487 [0,1,0,1,0,0|1,1,0]=4 5699 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 34a_100000095638_200025704644 [0,1,0,1,0,0|1,0,1]=4 5700 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 7a_100000095638_200025704644 [0,1,0,1,0,0|1,0,1]=4 5701 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 34a_100000116946_200025704644 [0,1,0,1,0,0|2,0,0]=4 5702 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 7a_100000116946_200025704644 [0,1,0,1,0,0|2,0,0]=4 5703 B13R2.2121 [13CH3]Oc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200025704644 [0,1,0,1,0,0|1,0,0]=3 5704 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 34a_100000035078_200025704644 [0,1,0,1,0,0|2,0,0]=4 5705 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 7a_100000035078_200025704644 [0,1,0,1,0,0|2,0,0]=4 5706 B13R2.2121 [13CH3]Sc1ccc2[nH]c(=O)oc2c1 62a_200025704644_100000697996 [0,1,0,1,0,0|1,1,0]=4 5707 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(=O)C2 62a_100010185598_200025704644 [0,1,0,1,0,0|1,1,0]=4 5708 B13R2.2121 [13CH3]Sc1ccc2c(c1)NC(=O)C2 62a_200025704644_100000760487 [0,1,0,1,0,0|1,1,0]=4 5709 B13R2.13083 Cc1cc2[nH]c(=O)[nH]c2cc1O 271570a_203496583355_100010107294 [0,1,0,1,0,0|2,0,0]=4 5710 B13R2.13083 Cc1cc2c(cc1O)CC(=O)N2 271570a_203496583355_100010201617 [0,1,0,1,0,0|2,0,0]=4 5711 B13R2.13083 O=C1Cc2cc(c(cc2N1)Cl)O 271570a_203496583355_100012929135 [0,1,0,1,0,0|2,0,0]=4 5712 B13R2.13083 O=C1Cc2cc(c(cc2N1)F)O 271570a_203496583355_100000727509 [0,1,0,1,0,0|2,0,0]=4 5713 B13R2.13083 O=C1Cc2cc(c(cc2N1)O)F 271570a_203496583355_200010218348 [0,1,0,1,0,0|1,0,0]=3 5714 B13R2.5190 CC1C(=O)Nc2c1ccc(c2)O 271570a_203496583355_100010201481 [0,1,0,1,0,0|1,0,0]=3 5715 B13R2.5190 CN1C(=O)Cc2c1ccc(c2)O 271570a_203496583355_100000183948 [0,1,0,1,0,0|2,0,0]=4 5716 B13R2.5190 Cn1c(=O)oc2c1ccc(c2)O 271570a_203496583355_100000753874 [0,1,0,1,0,0|1,0,0]=3 5717 B13R2.5190 Cn1c(nc2c1ccc(c2)O)O 271570a_203496583355_100013992850 [0,1,0,1,0,0|2,0,0]=4 5718 B13R2.5190 O=C1Nc2cc(ccc2C1=O)O 271570a_203496583355_100000239657 [0,1,0,1,0,0|1,0,1]=4 5719 B13R2.43 O=Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009820874 [0,1,0,1,0,0|2,0,0]=4 5720 B13R2.43 O=Cc1cc2cc(ccc2o1)O 271570a_203496583355_100000755920 [0,1,0,1,0,0|2,0,0]=4 5721 B13R2.43 O=Cc1cc2cc(ccc2s1)O 271570a_203496583355_100010238522 [0,1,0,1,0,0|2,0,0]=4 5722 B13R2.43 O=Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100000736022 [0,1,0,1,0,0|1,0,1]=4 5723 B13R2.43 O=Cc1cc2ccc(cc2s1)O 271570a_203496583355_100009814784 [0,1,0,1,0,0|0,1,1]=4 5724 B13R2.43 O=Cc1nc2ccc(cc2[nH]1)O 271570a_203496583355_200011361486 [0,1,0,1,0,0|2,0,0]=4 5725 B13R2.43 OCc1cc2cc(ccc2o1)O 271570a_203496583355_100011934623 [0,1,0,1,0,0|2,0,0]=4 5726 B13R2.43 OCc1cc2cc(ccc2s1)O 271570a_203496583355_100010255381 [0,1,0,1,0,0|2,0,0]=4 5727 B13R2.43 OCc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100000735881 [0,1,0,1,0,0|1,0,1]=4 5728 B13R2.43 OCc1cc2ccc(cc2s1)O 271570a_203496583355_100010244134 [0,1,0,1,0,0|0,1,1]=4 5729 B13R2.43 OCc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100000698547 [0,1,0,1,0,0|2,0,0]=4 5730 B13R2.3028 CC1C(=O)Nc2c1cc(cc2)O 271570a_203496583355_100010251565 [0,1,0,1,0,0|2,0,0]=4 5731 B13R2.3028 CC1Cc2ccc(cc2C1=O)O 271570a_203496583355_100000694082 [0,1,0,1,0,0|1,0,1]=4 5732 B13R2.3028 CN1C(=O)Cc2c1cc(cc2)O 271570a_203496583355_100010285470 [0,1,0,1,0,0|1,0,0]=3 5733 B13R2.3028 CN1Cc2ccc(cc2C1=O)O 271570a_203496583355_100010125600 [0,1,0,1,0,0|2,0,0]=4 5734 B13R2.3028 Cn1c(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100010393459 [0,1,0,1,0,0|2,0,0]=4 5735 B13R2.3028 O=C1Nc2ccc(cc2C1=O)O 271570a_203496583355_100000024671 [0,1,0,1,0,0|1,0,1]=4 5736 B13R2.3683 O=C1CCc2cc(ccc2C1)O 271570a_203496583355_100000753102 [0,1,0,1,0,0|1,0,0]=3 5737 B13R2.3683 O=C1CCc2cc(ccc2N1)O 271570a_203496583355_100000754843 [0,1,0,1,0,0|2,0,0]=4 5738 B13R2.3683 O=C1CCc2cc(ccc2O1)O 271570a_203496583355_100010179853 [0,1,0,1,0,0|2,0,0]=4 5739 B13R2.3683 O=C1CNc2cc(ccc2N1)O 271570a_203496583355_100000693460 [0,1,0,1,0,0|2,0,0]=4 5740 B13R2.3683 O=C1COc2cc(ccc2N1)O 271570a_203496583355_100000745508 [0,1,0,1,0,0|1,0,0]=3 5741 B13R2.3683 O=C1COc2cc(cnc2N1)O 271570a_203496583355_100010209494 [0,1,0,1,0,0|2,0,0]=4 5742 B13R2.3683 O=C1COc2nc(ccc2N1)O 271570a_203496583355_100010201792 [0,1,0,1,0,0|2,0,0]=4 5743 B13R2.3683 O=C1CSc2cc(ccc2N1)O 271570a_203496583355_100011830382 [0,1,0,1,0,0|1,1,0]=4 5744 B13R2.3683 O=C1Cc2ccc(cc2CN1)O 271570a_203496583355_100010174877 [0,1,0,1,0,0|1,0,0]=3 5745 B13R2.3683 O=C1NCc2cc(ccc2N1)O 271570a_203496583355_100010171468 [0,1,0,1,0,0|2,0,0]=4 5746 B13R2.3683 O=C1Nc2ccc(cc2CO1)O 271570a_203496583355_100010219366 [0,1,0,1,0,0|1,0,0]=3 5747 B13R2.3683 O=c1ccc2cc(ccc2[nH]1)O 271570a_203496583355_100011934725 [0,1,0,1,0,0|2,0,0]=4 5748 B13R2.3683 O=c1ccc2cc(ccc2o1)O 271570a_203496583355_100009999946 [0,1,0,1,0,0|2,0,0]=4 5749 B13R2.3683 O=c1cnc2cc(ccc2[nH]1)O 271570a_203496583355_100010209493 [0,1,0,1,0,0|2,0,0]=4 5750 B13R2.3683 Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185455 [0,1,0,1,0,0|1,0,1]=4 5751 B13R2.3683 Oc1ccc2nc(ccc2c1)O 271570a_203496583355_100009849208 [0,1,0,1,0,0|2,0,0]=4 5752 B13R2.3683 Oc1ccc2nc(cnc2c1)O 271570a_203496583355_200010664160 [0,1,0,1,0,0|2,0,0]=4 5753 B13R2.3683 Oc1cnc2cc(ccc2c1)O 271570a_203496583355_200010153753 [0,1,0,1,0,0|1,0,1]=4 5754 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,1,0|2,0,0]=4 5755 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,1,0|1,0,0]=3 5756 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,1,0|1,0,0]=3 5757 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [1,0,0,0,1,0|2,0,0]=4 5758 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [1,0,0,0,1,0|2,0,0]=4 5759 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [1,0,0,0,1,0|2,0,0]=4 5760 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [1,0,0,0,1,0|2,0,0]=4 5761 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [1,0,0,0,1,0|2,0,0]=4 5762 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [1,0,0,0,1,0|2,0,0]=4 5763 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [1,0,0,0,1,0|2,0,0]=4 5764 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [1,0,0,0,1,0|2,0,0]=4 5765 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [1,0,0,0,1,0|2,0,0]=4 5766 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [1,0,0,0,1,0|2,0,0]=4 5767 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [1,0,0,0,1,0|2,0,0]=4 5768 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [1,0,0,0,1,0|2,0,0]=4 5769 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [1,0,0,0,1,0|2,0,0]=4 5770 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,0,0,0,2,0|2,0,0]=4 5771 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,0,0,0,2,0|2,0,0]=4 5772 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,0,0,0,2,0|2,0,0]=4 5773 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,0,0,0,2,0|2,0,0]=4 5774 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,0,0,0,2,0|2,0,0]=4 5775 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,0,0,0,2,0|2,0,0]=4 5776 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,0,0,0,2,0|2,0,0]=4 5777 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,0,0,0,2,0|2,0,0]=4 5778 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,0,0,0,2,0|2,0,0]=4 5779 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,0,0,0,2,0|2,0,0]=4 5780 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [1,0,0,0,0,1|2,0,0]=4 5781 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [1,0,0,0,0,1|2,0,0]=4 5782 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [1,0,0,0,0,1|2,0,0]=4 5783 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [1,0,0,0,0,1|2,0,0]=4 5784 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [1,0,0,0,0,1|2,0,0]=4 5785 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [1,0,0,0,0,1|2,0,0]=4 5786 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [1,0,0,0,0,1|2,0,0]=4 5787 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [1,0,0,0,0,1|2,0,0]=4 5788 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [1,0,0,0,0,1|2,0,0]=4 5789 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [1,0,0,0,0,1|2,0,0]=4 5790 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [1,0,0,0,0,1|1,0,1]=4 5791 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,0,0,0,1|1,0,1]=4 5792 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,0,0,0,0,1|1,0,0]=3 5793 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,0,0,0,0,1|1,0,0]=3 5794 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [1,0,0,0,0,1|2,0,0]=4 5795 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [1,0,0,0,0,1|2,0,0]=4 5796 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [1,0,0,0,0,1|2,0,0]=4 5797 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [1,0,0,0,0,1|2,0,0]=4 5798 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [1,0,0,0,0,1|2,0,0]=4 5799 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [1,0,0,0,0,1|2,0,0]=4 5800 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,0,0,0,0,1|1,0,0]=3 5801 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [1,0,0,0,0,1|2,0,0]=4 5802 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [1,0,0,0,0,1|2,0,0]=4 5803 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [1,0,0,0,0,1|1,0,0]=3 5804 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [1,0,0,0,0,1|2,0,0]=4 5805 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [1,0,0,0,0,1|2,0,0]=4 5806 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,0,0,0,0,1|1,0,0]=3 5807 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,0,0,0,0,1|1,0,0]=3 5808 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,0,0,0,0,1|1,0,0]=3 5809 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,0,0,0,0,1|1,0,0]=3 5810 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [1,0,0,0,0,1|2,0,0]=4 5811 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [1,0,0,0,0,1|2,0,0]=4 5812 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [1,0,0,0,0,1|2,0,0]=4 5813 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [1,0,0,0,0,1|2,0,0]=4 5814 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [1,0,0,0,0,1|2,0,0]=4 5815 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [1,0,0,0,0,1|2,0,0]=4 5816 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [1,0,0,0,0,1|2,0,0]=4 5817 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [1,0,0,0,0,1|2,0,0]=4 5818 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [1,0,0,0,0,1|2,0,0]=4 5819 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [1,0,0,0,0,1|2,0,0]=4 5820 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [1,0,0,0,0,1|2,0,0]=4 5821 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [1,0,0,0,0,1|2,0,0]=4 5822 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [1,0,0,0,0,1|1,0,1]=4 5823 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [1,0,0,0,0,1|1,0,1]=4 5824 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [1,0,0,0,0,1|1,0,1]=4 5825 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [1,0,0,0,0,1|1,0,1]=4 5826 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [1,0,0,0,0,1|1,0,1]=4 5827 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [1,0,0,0,0,1|1,0,1]=4 5828 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [1,0,0,0,0,1|1,0,1]=4 5829 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [1,0,0,0,0,1|1,0,1]=4 5830 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [1,0,0,0,0,1|1,0,1]=4 5831 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [1,0,0,0,0,1|1,0,1]=4 5832 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [1,0,0,0,0,1|1,0,0]=3 5833 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [1,0,0,0,0,1|1,0,0]=3 5834 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [1,0,0,0,0,1|1,0,0]=3 5835 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [1,0,0,0,0,1|2,0,0]=4 5836 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [1,0,0,0,0,1|2,0,0]=4 5837 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [1,0,0,0,0,1|2,0,0]=4 5838 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [1,0,0,0,0,1|1,0,0]=3 5839 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [1,0,0,0,0,1|1,0,0]=3 5840 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [1,0,0,0,0,1|2,0,0]=4 5841 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [1,0,0,0,0,1|2,0,0]=4 5842 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [1,0,0,0,0,1|2,0,0]=4 5843 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [1,0,0,0,0,1|2,0,0]=4 5844 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [1,0,0,0,0,1|2,0,0]=4 5845 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [1,0,0,0,0,1|2,0,0]=4 5846 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [1,0,0,0,0,1|0,0,1]=3 5847 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [1,0,0,0,0,1|0,0,1]=3 5848 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [1,0,0,0,0,1|1,0,1]=4 5849 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [1,0,0,0,0,1|1,0,1]=4 5850 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [1,0,0,0,0,1|0,0,1]=3 5851 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [1,0,0,0,0,1|0,0,1]=3 5852 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [1,0,0,0,0,1|1,0,1]=4 5853 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [1,0,0,0,0,1|1,0,1]=4 5854 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [1,0,0,0,0,1|1,0,1]=4 5855 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [1,0,0,0,0,1|1,0,1]=4 5856 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [1,0,0,0,0,1|1,0,1]=4 5857 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [1,0,0,0,0,1|1,0,1]=4 5858 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [1,0,0,0,0,1|1,0,1]=4 5859 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [1,0,0,0,0,1|1,0,1]=4 5860 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [1,0,0,0,0,1|1,0,1]=4 5861 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [1,0,0,0,0,1|1,0,1]=4 5862 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,0,0,0,1|1,0,1]=4 5863 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,0,0,0,0,1|1,0,0]=3 5864 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [1,0,0,0,0,1|2,0,0]=4 5865 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [1,0,0,0,0,1|2,0,0]=4 5866 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [1,0,0,0,0,1|2,0,0]=4 5867 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,0,0,0,0,1|1,0,0]=3 5868 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [1,0,0,0,0,1|2,0,0]=4 5869 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [1,0,0,0,0,1|2,0,0]=4 5870 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [1,0,0,0,0,1|1,0,0]=3 5871 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [1,0,0,0,0,1|2,0,0]=4 5872 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [1,0,0,0,0,1|2,0,0]=4 5873 B13R1.513 C=C(C)CCNc1ccc(cc1)O 34a_100000185829_100000730704 [0,0,0,0,0,2|2,0,0]=4 5874 B13R1.513 C=C(C)CCSc1ccc(cc1)O 62a_100000730704_100000185759 [0,0,0,0,0,2|2,0,0]=4 5875 B13R1.513 C=C(C)CNCc1ccc(cc1)O 34a_100000185549_100000748629 [0,0,0,0,0,2|2,0,0]=4 5876 B13R1.513 C=C(F)CNCc1ccc(cc1)O 34a_100000185549_100009893438 [0,0,0,0,0,2|2,0,0]=4 5877 B13R1.513 CC(=CCNc1ccc(cc1)O)C 34a_100000185829_100000761012 [0,0,0,0,0,2|2,0,0]=4 5878 B13R1.513 CC(=CCSc1ccc(cc1)O)C 62a_100000761012_100000185759 [0,0,0,0,0,2|2,0,0]=4 5879 B13R1.513 CC(=O)CC#Cc1ccc(cc1)Br 1458a_100000070787_100010706785 [0,0,0,0,0,2|2,0,0]=4 5880 B13R1.513 CC(=O)CC#Cc1ccc(cc1)F 1458a_100000070787_100010402171 [0,0,0,0,0,2|2,0,0]=4 5881 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100000070787_100011713682 [0,0,0,0,0,2|2,0,0]=4 5882 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200000210301 [0,0,0,0,0,2|2,0,0]=4 5883 B13R1.513 CC(=O)CCCc1ccc(cc1)C 1458a_100000741418_200000210301 [0,0,0,0,0,2|2,0,0]=4 5884 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000070787_100000759440 [0,0,0,0,0,2|2,0,0]=4 5885 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200000210301 [0,0,0,0,0,2|2,0,0]=4 5886 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100000070787_200011713563 [0,0,0,0,0,2|2,0,0]=4 5887 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100011219804_200000210301 [0,0,0,0,0,2|2,0,0]=4 5888 B13R1.513 CC(=O)CCCc1ccc(cc1)I 1458a_100011236544_200000210301 [0,0,0,0,0,2|2,0,0]=4 5889 B13R1.513 CC(=O)CCCc1ccc(cc1)O 1458a_100000116853_200000210301 [0,0,0,0,0,2|1,0,0]=3 5890 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 1458a_100000070787_100000183278 [0,0,0,0,0,2|2,0,0]=4 5891 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 1458a_100000738328_200000210301 [0,0,0,0,0,2|2,0,0]=4 5892 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000053229 [0,0,0,0,0,2|2,0,0]=4 5893 B13R1.513 CC(=O)CCOc1ccc(cc1)C 1458a_100000070787_100000183172 [0,0,0,0,0,2|2,0,0]=4 5894 B13R1.513 CC(=O)CCOc1ccc(cc1)C 1458a_100000182323_200000210301 [0,0,0,0,0,2|2,0,0]=4 5895 B13R1.513 CC(=O)CCOc1ccc(cc1)C 7a_100000210336_100000053229 [0,0,0,0,0,2|2,0,0]=4 5896 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 1458a_100000070787_100000184122 [0,0,0,0,0,2|2,0,0]=4 5897 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_200000210301 [0,0,0,0,0,2|2,0,0]=4 5898 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000053229 [0,0,0,0,0,2|2,0,0]=4 5899 B13R1.513 CC(=O)CCOc1ccc(cc1)F 1458a_100000070787_100000184936 [0,0,0,0,0,2|2,0,0]=4 5900 B13R1.513 CC(=O)CCOc1ccc(cc1)F 1458a_100000737396_200000210301 [0,0,0,0,0,2|2,0,0]=4 5901 B13R1.513 CC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000053229 [0,0,0,0,0,2|2,0,0]=4 5902 B13R1.513 CC(=O)CCSc1ccc(cc1)Br 1458a_100000208627_200000210301 [0,0,0,0,0,2|2,0,0]=4 5903 B13R1.513 CC(=O)CCSc1ccc(cc1)Br 62a_100000053229_100000752885 [0,0,0,0,0,2|2,0,0]=4 5904 B13R1.513 CC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000053229 [0,0,0,0,0,2|2,0,0]=4 5905 B13R1.513 CC(=O)CCSc1ccc(cc1)C 1458a_100000182377_200000210301 [0,0,0,0,0,2|2,0,0]=4 5906 B13R1.513 CC(=O)CCSc1ccc(cc1)C 62a_100000053229_100000186775 [0,0,0,0,0,2|2,0,0]=4 5907 B13R1.513 CC(=O)CCSc1ccc(cc1)C 62a_100000186775_100000053229 [0,0,0,0,0,2|2,0,0]=4 5908 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 1458a_100000182369_200000210301 [0,0,0,0,0,2|2,0,0]=4 5909 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 62a_100000053229_100000755918 [0,0,0,0,0,2|2,0,0]=4 5910 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000053229 [0,0,0,0,0,2|2,0,0]=4 5911 B13R1.513 CC(=O)CCSc1ccc(cc1)F 1458a_100000199091_200000210301 [0,0,0,0,0,2|2,0,0]=4 5912 B13R1.513 CC(=O)CCSc1ccc(cc1)F 62a_100000053229_100000211213 [0,0,0,0,0,2|2,0,0]=4 5913 B13R1.513 CC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000053229 [0,0,0,0,0,2|2,0,0]=4 5914 B13R1.513 CC(=O)CCSc1ccc(cc1)N 62a_100000053229_100000185761 [0,0,0,0,0,2|2,0,0]=4 5915 B13R1.513 CC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000053229 [0,0,0,0,0,2|2,0,0]=4 5916 B13R1.513 CC(=O)CCSc1ccc(cc1)O 62a_100000053229_100000185759 [0,0,0,0,0,2|1,0,0]=3 5917 B13R1.513 CC(=O)CCSc1ccc(cn1)O 62a_100000053229_100000744096 [0,0,0,0,0,2|2,0,0]=4 5918 B13R1.513 CC(=O)CCSc1ccc(cn1)O 62a_100000685995_100000053229 [0,0,0,0,0,2|2,0,0]=4 5919 B13R1.513 CC(=O)COCc1ccc(cc1)Br 1458a_200012349173_200000210301 [0,0,0,0,0,2|2,0,0]=4 5920 B13R1.513 CC(=O)COCc1ccc(cc1)Br 34a_100000211253_100000189115 [0,0,0,0,0,2|2,0,0]=4 5921 B13R1.513 CC(=O)COCc1ccc(cc1)C 34a_100000211253_100000210814 [0,0,0,0,0,2|2,0,0]=4 5922 B13R1.513 CC(=O)COCc1ccc(cc1)Cl 34a_100000211253_100000694040 [0,0,0,0,0,2|2,0,0]=4 5923 B13R1.513 CC(=O)COCc1ccc(cc1)F 34a_100000211253_100000198546 [0,0,0,0,0,2|2,0,0]=4 5924 B13R1.513 CC(=O)COCc1ccc(cc1)I 34a_100000211253_100000189116 [0,0,0,0,0,2|2,0,0]=4 5925 B13R1.513 CC(=O)CSCc1ccc(cc1)Br 1458a_100000150267_200000210301 [0,0,0,0,0,2|2,0,0]=4 5926 B13R1.513 CC(=O)CSCc1ccc(cc1)Cl 1458a_100000150262_200000210301 [0,0,0,0,0,2|2,0,0]=4 5927 B13R1.513 CC(=O)CSCc1ccc(cc1)F 1458a_100000150272_200000210301 [0,0,0,0,0,2|2,0,0]=4 5928 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 11a_100000755846_100015343762 [0,0,0,0,0,2|2,0,0]=4 5929 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 1626a_100000755846_100015343762 [0,0,0,0,0,2|2,0,0]=4 5930 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 240690a_100000755846_100015343762 [0,0,0,0,0,2|2,0,0]=4 5931 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 527a_100000755846_100103153847 [0,0,0,0,0,2|2,0,0]=4 5932 B13R1.513 CC(=O)NCCc1ccc(cc1)C 11a_100000705350_100015343762 [0,0,0,0,0,2|2,0,0]=4 5933 B13R1.513 CC(=O)NCCc1ccc(cc1)C 1626a_100000705350_100015343762 [0,0,0,0,0,2|2,0,0]=4 5934 B13R1.513 CC(=O)NCCc1ccc(cc1)C 240690a_100000705350_100015343762 [0,0,0,0,0,2|2,0,0]=4 5935 B13R1.513 CC(=O)NCCc1ccc(cc1)C 527a_100000705350_100103153847 [0,0,0,0,0,2|2,0,0]=4 5936 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 11a_100000185265_100015343762 [0,0,0,0,0,2|2,0,0]=4 5937 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 1626a_100000185265_100015343762 [0,0,0,0,0,2|2,0,0]=4 5938 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 240690a_100000185265_100015343762 [0,0,0,0,0,2|2,0,0]=4 5939 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 527a_100000185265_100103153847 [0,0,0,0,0,2|2,0,0]=4 5940 B13R1.513 CC(=O)NCCc1ccc(cc1)F 11a_100000199005_100015343762 [0,0,0,0,0,2|2,0,0]=4 5941 B13R1.513 CC(=O)NCCc1ccc(cc1)F 1626a_100000199005_100015343762 [0,0,0,0,0,2|2,0,0]=4 5942 B13R1.513 CC(=O)NCCc1ccc(cc1)F 240690a_100000199005_100015343762 [0,0,0,0,0,2|2,0,0]=4 5943 B13R1.513 CC(=O)NCCc1ccc(cc1)F 527a_100000199005_100103153847 [0,0,0,0,0,2|2,0,0]=4 5944 B13R1.513 CC(=O)NCCc1ccc(cc1)O 240690a_100000743037_100015343762 [0,0,0,0,0,2|1,0,0]=3 5945 B13R1.513 CC(=O)NCCc1ccc(cc1)O 527a_100000743037_100103153847 [0,0,0,0,0,2|1,0,0]=3 5946 B13R1.513 CC(=O)NN=Cc1ccc(cc1)O 4a_100000189765_100000185832 [0,0,0,0,0,2|1,0,1]=4 5947 B13R1.513 CC(=O)NNCc1ccc(cc1)Br 22a_100016993955_100000070787 [0,0,0,0,0,2|2,0,0]=4 5948 B13R1.513 CC(=O)NNCc1ccc(cc1)C 22a_100011197965_100000070787 [0,0,0,0,0,2|2,0,0]=4 5949 B13R1.513 CC(=O)NNCc1ccc(cc1)Cl 22a_100000689899_100000070787 [0,0,0,0,0,2|2,0,0]=4 5950 B13R1.513 CC(=O)NNCc1ccc(cc1)F 22a_100000689900_100000070787 [0,0,0,0,0,2|2,0,0]=4 5951 B13R1.513 CC(=O)NNCc1ccc(cc1)I 22a_102495363730_100000070787 [0,0,0,0,0,2|2,0,0]=4 5952 B13R1.513 CC(=O)OCCc1ccc(cc1)O 271570a_203496583355_200016374084 [0,0,0,0,0,2|1,0,0]=3 5953 B13R1.513 CC(=O)OCNc1ccc(cc1)Br 34a_100000210018_100009813279 [0,0,0,0,0,2|2,0,0]=4 5954 B13R1.513 CC(=O)OCNc1ccc(cc1)C 34a_100000124888_100009813279 [0,0,0,0,0,2|2,0,0]=4 5955 B13R1.513 CC(=O)OCNc1ccc(cc1)Cl 34a_100000210052_100009813279 [0,0,0,0,0,2|2,0,0]=4 5956 B13R1.513 CC(=O)OCNc1ccc(cc1)F 34a_100000185862_100009813279 [0,0,0,0,0,2|2,0,0]=4 5957 B13R1.513 CC(=O)OCNc1ccc(cc1)I 34a_100000185761_100009813279 [0,0,0,0,0,2|2,0,0]=4 5958 B13R1.513 CC(=O)OCNc1ccc(cc1)O 34a_100000185829_100009813279 [0,0,0,0,0,2|1,0,0]=3 5959 B13R1.513 CC(=O)OCOc1ccc(cc1)Br 34a_100000185759_100009813279 [0,0,0,0,0,2|2,0,0]=4 5960 B13R1.513 CC(=O)OCOc1ccc(cc1)C 34a_100000210336_100009813279 [0,0,0,0,0,2|2,0,0]=4 5961 B13R1.513 CC(=O)OCOc1ccc(cc1)Cl 34a_100000210216_100009813279 [0,0,0,0,0,2|2,0,0]=4 5962 B13R1.513 CC(=O)OCOc1ccc(cc1)F 34a_100000210339_100009813279 [0,0,0,0,0,2|2,0,0]=4 5963 B13R1.513 CC(=O)OCOc1ccc(cc1)I 34a_100000212066_100009813279 [0,0,0,0,0,2|2,0,0]=4 5964 B13R1.513 CC(=O)OCOc1ccc(cc1)N 34a_100000185829_100009813279 [0,0,0,0,0,2|2,0,0]=4 5965 B13R1.513 CC(=O)OCSc1ccc(cc1)Br 62a_100000076356_100000752885 [0,0,0,0,0,2|2,0,0]=4 5966 B13R1.513 CC(=O)OCSc1ccc(cc1)Br 62a_100000752885_100000076356 [0,0,0,0,0,2|2,0,0]=4 5967 B13R1.513 CC(=O)OCSc1ccc(cc1)C 62a_100000076356_100000186775 [0,0,0,0,0,2|2,0,0]=4 5968 B13R1.513 CC(=O)OCSc1ccc(cc1)C 62a_100000186775_100000076356 [0,0,0,0,0,2|2,0,0]=4 5969 B13R1.513 CC(=O)OCSc1ccc(cc1)Cl 62a_100000076356_100000755918 [0,0,0,0,0,2|2,0,0]=4 5970 B13R1.513 CC(=O)OCSc1ccc(cc1)Cl 62a_100000755918_100000076356 [0,0,0,0,0,2|2,0,0]=4 5971 B13R1.513 CC(=O)OCSc1ccc(cc1)F 62a_100000076356_100000211213 [0,0,0,0,0,2|2,0,0]=4 5972 B13R1.513 CC(=O)OCSc1ccc(cc1)F 62a_100000211213_100000076356 [0,0,0,0,0,2|2,0,0]=4 5973 B13R1.513 CC(=O)OCSc1ccc(cc1)N 62a_100000076356_100000185761 [0,0,0,0,0,2|2,0,0]=4 5974 B13R1.513 CC(=O)OCSc1ccc(cc1)N 62a_100000185761_100000076356 [0,0,0,0,0,2|2,0,0]=4 5975 B13R1.513 CC(=O)OCSc1ccc(cc1)O 62a_100000076356_100000185759 [0,0,0,0,0,2|1,0,0]=3 5976 B13R1.513 CC(=O)OCSc1ccc(cn1)O 62a_100000076356_100000744096 [0,0,0,0,0,2|2,0,0]=4 5977 B13R1.513 CC(=O)OCSc1ccc(cn1)O 62a_100000685995_100000076356 [0,0,0,0,0,2|2,0,0]=4 5978 B13R1.513 CC(O)CCNc1ccc(cc1)O 34a_100000185829_100012276601 [0,0,0,0,0,2|1,0,1]=4 5979 B13R1.513 CC(O)CCSc1ccc(cc1)O 62a_100012276601_100000185759 [0,0,0,0,0,2|1,0,1]=4 5980 B13R1.513 CC(O)CNCc1ccc(cc1)O 34a_100000185549_100011218427 [0,0,0,0,0,2|1,0,1]=4 5981 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)O 34a_100000185549_100009817552 [0,0,0,0,0,2|1,0,1]=4 5982 B13R1.513 Cc1ccc(cc1)CCCC(=O)[13CH3] 1458a_100000741418_200025704644 [0,0,0,0,0,2|2,0,0]=4 5983 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 2230a_100000174908_100000747473 [0,0,0,0,0,2|2,0,0]=4 5984 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 2230a_100000711301_100000210814 [0,0,0,0,0,2|2,0,0]=4 5985 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 34a_100000174908_100000187820 [0,0,0,0,0,2|2,0,0]=4 5986 B13R1.513 Cc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000210814 [0,0,0,0,0,2|1,0,0]=3 5987 B13R1.513 Cc1ccc(cc1)CNCC(=O)[O-] 34a_100000174908_100020667443 [0,0,0,0,0,2|1,0,1]=4 5988 B13R1.513 Cc1ccc(cc1)COCC(=O)N 34a_100011215236_100000187820 [0,0,0,0,0,2|2,0,0]=4 5989 B13R1.513 Cc1ccc(cc1)COCC(=O)N 7a_100011215236_100000187820 [0,0,0,0,0,2|2,0,0]=4 5990 B13R1.513 Cc1ccc(cc1)COCC(=O)[O-] 34a_100011215236_100020667443 [0,0,0,0,0,2|1,0,1]=4 5991 B13R1.513 Cc1ccc(cc1)CSCC(=O)N 62a_100000210814_100000747473 [0,0,0,0,0,2|2,0,0]=4 5992 B13R1.513 Cc1ccc(cc1)CSCC(=O)N 62a_100000747473_100000210814 [0,0,0,0,0,2|2,0,0]=4 5993 B13R1.513 Cc1ccc(cc1)CSCC(=O)[O-] 62a_100000210814_100020667443 [0,0,0,0,0,2|1,0,1]=4 5994 B13R1.513 Cc1ccc(cc1)CSCC(=O)[O-] 62a_100020667443_100000210814 [0,0,0,0,0,2|1,0,1]=4 5995 B13R1.513 Cc1ccc(cc1)NCCC(=O)N 34a_100000124888_100000731001 [0,0,0,0,0,2|2,0,0]=4 5996 B13R1.513 Cc1ccc(cc1)OCCC(=O)N 34a_100000210336_100000731001 [0,0,0,0,0,2|2,0,0]=4 5997 B13R1.513 Cc1ccc(cc1)OCCC(=O)N 7a_100000210336_100000744528 [0,0,0,0,0,2|2,0,0]=4 5998 B13R1.513 Cc1ccc(cc1)OCCC(=O)[13CH3] 1458a_100000182323_200025704644 [0,0,0,0,0,2|2,0,0]=4 5999 B13R1.513 Cc1ccc(cc1)SCCC(=O)N 62a_100000186775_100000744528 [0,0,0,0,0,2|2,0,0]=4 6000 B13R1.513 Cc1ccc(cc1)SCCC(=O)N 62a_100000744528_100000186775 [0,0,0,0,0,2|2,0,0]=4 6001 B13R1.513 Cc1ccc(cc1)SCCC(=O)[13CH3] 1458a_100000182377_200025704644 [0,0,0,0,0,2|2,0,0]=4 6002 B13R1.513 Cc1ccc(cn1)CNCC(=O)O 269956a_100016091260_100016987292 [0,0,0,0,0,2|2,0,0]=4 6003 B13R1.513 Cc1ccc(nc1)CNCC(=O)O 269956a_100016091260_100000691093 [0,0,0,0,0,2|2,0,0]=4 6004 B13R1.513 NC(=O)CCNc1ccc(cc1)Br 2230a_100000210018_100000744528 [0,0,0,0,0,2|2,0,0]=4 6005 B13R1.513 NC(=O)CCNc1ccc(cc1)Br 34a_100000210018_100000731001 [0,0,0,0,0,2|2,0,0]=4 6006 B13R1.513 NC(=O)CCNc1ccc(cc1)Cl 2230a_100000210052_100000744528 [0,0,0,0,0,2|2,0,0]=4 6007 B13R1.513 NC(=O)CCNc1ccc(cc1)Cl 34a_100000210052_100000731001 [0,0,0,0,0,2|2,0,0]=4 6008 B13R1.513 NC(=O)CCNc1ccc(cc1)F 34a_100000185862_100000731001 [0,0,0,0,0,2|2,0,0]=4 6009 B13R1.513 NC(=O)CCNc1ccc(cc1)I 34a_100000185761_100000731001 [0,0,0,0,0,2|2,0,0]=4 6010 B13R1.513 NC(=O)CCNc1ccc(cc1)O 34a_100000185829_100000731001 [0,0,0,0,0,2|1,0,0]=3 6011 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 34a_100000185759_100000731001 [0,0,0,0,0,2|2,0,0]=4 6012 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000744528 [0,0,0,0,0,2|2,0,0]=4 6013 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 34a_100000210216_100000731001 [0,0,0,0,0,2|2,0,0]=4 6014 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000744528 [0,0,0,0,0,2|2,0,0]=4 6015 B13R1.513 NC(=O)CCOc1ccc(cc1)F 34a_100000210339_100000731001 [0,0,0,0,0,2|2,0,0]=4 6016 B13R1.513 NC(=O)CCOc1ccc(cc1)I 34a_100000212066_100000731001 [0,0,0,0,0,2|2,0,0]=4 6017 B13R1.513 NC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000744528 [0,0,0,0,0,2|2,0,0]=4 6018 B13R1.513 NC(=O)CCOc1ccc(cc1)N 34a_100000185829_100000731001 [0,0,0,0,0,2|2,0,0]=4 6019 B13R1.513 NC(=O)CCSc1ccc(cc1)Br 62a_100000744528_100000752885 [0,0,0,0,0,2|2,0,0]=4 6020 B13R1.513 NC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000744528 [0,0,0,0,0,2|2,0,0]=4 6021 B13R1.513 NC(=O)CCSc1ccc(cc1)Cl 62a_100000744528_100000755918 [0,0,0,0,0,2|2,0,0]=4 6022 B13R1.513 NC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000744528 [0,0,0,0,0,2|2,0,0]=4 6023 B13R1.513 NC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000744528 [0,0,0,0,0,2|2,0,0]=4 6024 B13R1.513 NC(=O)CCSc1ccc(cc1)F 62a_100000744528_100000211213 [0,0,0,0,0,2|2,0,0]=4 6025 B13R1.513 NC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000744528 [0,0,0,0,0,2|2,0,0]=4 6026 B13R1.513 NC(=O)CCSc1ccc(cc1)N 62a_100000744528_100000185761 [0,0,0,0,0,2|2,0,0]=4 6027 B13R1.513 NC(=O)CCSc1ccc(cc1)O 62a_100000744528_100000185759 [0,0,0,0,0,2|1,0,0]=3 6028 B13R1.513 NC(=O)CCSc1ccc(cn1)O 62a_100000685995_100000744528 [0,0,0,0,0,2|2,0,0]=4 6029 B13R1.513 NC(=O)CCSc1ccc(cn1)O 62a_100000744528_100000744096 [0,0,0,0,0,2|2,0,0]=4 6030 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 2230a_100000174875_100000747473 [0,0,0,0,0,2|2,0,0]=4 6031 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 2230a_100000711301_100011217064 [0,0,0,0,0,2|2,0,0]=4 6032 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 34a_100000174875_100000187820 [0,0,0,0,0,2|2,0,0]=4 6033 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000747473 [0,0,0,0,0,2|2,0,0]=4 6034 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 2230a_100000711301_100000694040 [0,0,0,0,0,2|2,0,0]=4 6035 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 34a_100000174871_100000187820 [0,0,0,0,0,2|2,0,0]=4 6036 B13R1.513 NC(=O)CNCc1ccc(cc1)F 2230a_100000174882_100000747473 [0,0,0,0,0,2|2,0,0]=4 6037 B13R1.513 NC(=O)CNCc1ccc(cc1)F 2230a_100000711301_100000198546 [0,0,0,0,0,2|2,0,0]=4 6038 B13R1.513 NC(=O)CNCc1ccc(cc1)F 34a_100000174882_100000187820 [0,0,0,0,0,2|2,0,0]=4 6039 B13R1.513 NC(=O)CNCc1ccc(cc1)I 2230a_100000711301_100000189116 [0,0,0,0,0,2|2,0,0]=4 6040 B13R1.513 NC(=O)CNCc1ccc(cc1)I 2230a_100016989417_100000747473 [0,0,0,0,0,2|2,0,0]=4 6041 B13R1.513 NC(=O)CNCc1ccc(cc1)I 34a_100016989417_100000187820 [0,0,0,0,0,2|2,0,0]=4 6042 B13R1.513 NC(=O)CNCc1ccc(cc1)O 34a_100000185549_100000187820 [0,0,0,0,0,2|1,0,0]=3 6043 B13R1.513 NC(=O)CNCc1ccc(nc1)O 2230a_100000757128_100000747473 [0,0,0,0,0,2|2,0,0]=4 6044 B13R1.513 NC(=O)COCc1ccc(cc1)Br 34a_100000695286_100000187820 [0,0,0,0,0,2|2,0,0]=4 6045 B13R1.513 NC(=O)COCc1ccc(cc1)Cl 34a_100000211118_100000187820 [0,0,0,0,0,2|2,0,0]=4 6046 B13R1.513 NC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000187820 [0,0,0,0,0,2|2,0,0]=4 6047 B13R1.513 NC(=O)COCc1ccc(cc1)F 34a_100000210977_100000187820 [0,0,0,0,0,2|2,0,0]=4 6048 B13R1.513 NC(=O)COCc1ccc(cc1)F 7a_100000210977_100000187820 [0,0,0,0,0,2|2,0,0]=4 6049 B13R1.513 NC(=O)COCc1ccc(cc1)I 34a_100000690907_100000187820 [0,0,0,0,0,2|2,0,0]=4 6050 B13R1.513 NC(=O)COCc1ccc(cc1)I 7a_100000690907_100000187820 [0,0,0,0,0,2|2,0,0]=4 6051 B13R1.513 NC(=O)COCc1ccc(cc1)N 34a_100011215238_100000187820 [0,0,0,0,0,2|2,0,0]=4 6052 B13R1.513 NC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000747473 [0,0,0,0,0,2|2,0,0]=4 6053 B13R1.513 NC(=O)CSCc1ccc(cc1)Br 62a_100000747473_100000189115 [0,0,0,0,0,2|2,0,0]=4 6054 B13R1.513 NC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000747473 [0,0,0,0,0,2|2,0,0]=4 6055 B13R1.513 NC(=O)CSCc1ccc(cc1)Cl 62a_100000747473_100000187161 [0,0,0,0,0,2|2,0,0]=4 6056 B13R1.513 NC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000747473 [0,0,0,0,0,2|2,0,0]=4 6057 B13R1.513 NC(=O)CSCc1ccc(cc1)F 62a_100000747473_100000187164 [0,0,0,0,0,2|2,0,0]=4 6058 B13R1.513 NC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000747473 [0,0,0,0,0,2|2,0,0]=4 6059 B13R1.513 NC(=O)CSCc1ccc(cc1)I 62a_100000747473_100000189116 [0,0,0,0,0,2|2,0,0]=4 6060 B13R1.513 Nc1ccc(cc1)COCC(=O)[O-] 34a_100011215238_100020667443 [0,0,0,0,0,2|1,0,1]=4 6061 B13R1.513 O=C(O)CNCc1ccc(cc1)Br 269956a_100016091260_100011217064 [0,0,0,0,0,2|1,0,0]=3 6062 B13R1.513 O=C(O)CNCc1ccc(cc1)Cl 269956a_100016091260_100000187161 [0,0,0,0,0,2|1,0,0]=3 6063 B13R1.513 O=C(O)CNCc1ccc(cc1)F 269956a_100016091260_100000198546 [0,0,0,0,0,2|1,0,0]=3 6064 B13R1.513 O=C(O)CNCc1ccc(cc1)I 269956a_100016091260_100000189116 [0,0,0,0,0,2|1,0,0]=3 6065 B13R1.513 O=C(O)CNCc1ccc(cn1)Br 269956a_100016091260_100000702658 [0,0,0,0,0,2|2,0,0]=4 6066 B13R1.513 O=C(O)CNCc1ccc(cn1)Cl 269956a_100016091260_100012066911 [0,0,0,0,0,2|2,0,0]=4 6067 B13R1.513 O=C(O)CNCc1ccc(cn1)F 269956a_100016091260_100000703193 [0,0,0,0,0,2|2,0,0]=4 6068 B13R1.513 O=C(O)CNCc1ccc(nc1)Br 269956a_100016091260_100009831999 [0,0,0,0,0,2|2,0,0]=4 6069 B13R1.513 O=C(O)CNCc1ccc(nc1)Cl 269956a_100016091260_100000735431 [0,0,0,0,0,2|2,0,0]=4 6070 B13R1.513 O=C(O)CNCc1ccc(nc1)F 269956a_100016091260_100009820150 [0,0,0,0,0,2|2,0,0]=4 6071 B13R1.513 O=C([O-])CNCc1ccc(cc1)Br 34a_100000174875_100020667443 [0,0,0,0,0,2|1,0,1]=4 6072 B13R1.513 O=C([O-])CNCc1ccc(cc1)Cl 34a_100000174871_100020667443 [0,0,0,0,0,2|1,0,1]=4 6073 B13R1.513 O=C([O-])CNCc1ccc(cc1)F 34a_100000174882_100020667443 [0,0,0,0,0,2|1,0,1]=4 6074 B13R1.513 O=C([O-])CNCc1ccc(cc1)I 34a_100016989417_100020667443 [0,0,0,0,0,2|1,0,1]=4 6075 B13R1.513 O=C([O-])CNCc1ccc(cc1)O 34a_100000185549_100020667443 [0,0,0,0,0,2|0,0,1]=3 6076 B13R1.513 O=C([O-])COCc1ccc(cc1)Br 34a_100000695286_100020667443 [0,0,0,0,0,2|1,0,1]=4 6077 B13R1.513 O=C([O-])COCc1ccc(cc1)Cl 34a_100000211118_100020667443 [0,0,0,0,0,2|1,0,1]=4 6078 B13R1.513 O=C([O-])COCc1ccc(cc1)F 34a_100000210977_100020667443 [0,0,0,0,0,2|1,0,1]=4 6079 B13R1.513 O=C([O-])COCc1ccc(cc1)I 34a_100000690907_100020667443 [0,0,0,0,0,2|1,0,1]=4 6080 B13R1.513 O=C([O-])CSCc1ccc(cc1)Br 62a_100000189115_100020667443 [0,0,0,0,0,2|1,0,1]=4 6081 B13R1.513 O=C([O-])CSCc1ccc(cc1)Br 62a_100020667443_100000189115 [0,0,0,0,0,2|1,0,1]=4 6082 B13R1.513 O=C([O-])CSCc1ccc(cc1)Cl 62a_100000187161_100020667443 [0,0,0,0,0,2|1,0,1]=4 6083 B13R1.513 O=C([O-])CSCc1ccc(cc1)Cl 62a_100020667443_100000187161 [0,0,0,0,0,2|1,0,1]=4 6084 B13R1.513 O=C([O-])CSCc1ccc(cc1)F 62a_100000198546_100020667443 [0,0,0,0,0,2|1,0,1]=4 6085 B13R1.513 O=C([O-])CSCc1ccc(cc1)F 62a_100020667443_100000187164 [0,0,0,0,0,2|1,0,1]=4 6086 B13R1.513 O=C([O-])CSCc1ccc(cc1)I 62a_100000189116_100020667443 [0,0,0,0,0,2|1,0,1]=4 6087 B13R1.513 O=C([O-])CSCc1ccc(cc1)I 62a_100020667443_100000189116 [0,0,0,0,0,2|1,0,1]=4 6088 B13R1.513 O=[N+]([O-])CNCc1ccc(cc1)O 34a_100000185549_100000761209 [0,0,0,0,0,2|1,0,1]=4 6089 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200025704644 [0,0,0,0,0,2|2,0,0]=4 6090 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200025704644 [0,0,0,0,0,2|2,0,0]=4 6091 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)F 1458a_100011219804_200025704644 [0,0,0,0,0,2|2,0,0]=4 6092 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)I 1458a_100011236544_200025704644 [0,0,0,0,0,2|2,0,0]=4 6093 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)O 1458a_100000116853_200025704644 [0,0,0,0,0,2|1,0,0]=3 6094 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)Br 1458a_100000738328_200025704644 [0,0,0,0,0,2|2,0,0]=4 6095 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_200025704644 [0,0,0,0,0,2|2,0,0]=4 6096 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)F 1458a_100000737396_200025704644 [0,0,0,0,0,2|2,0,0]=4 6097 B13R1.513 [13CH3]C(=O)CCSc1ccc(cc1)Br 1458a_100000208627_200025704644 [0,0,0,0,0,2|2,0,0]=4 6098 B13R1.513 [13CH3]C(=O)CCSc1ccc(cc1)Cl 1458a_100000182369_200025704644 [0,0,0,0,0,2|2,0,0]=4 6099 B13R1.513 [13CH3]C(=O)CCSc1ccc(cc1)F 1458a_100000199091_200025704644 [0,0,0,0,0,2|2,0,0]=4 6100 B13R1.513 [13CH3]C(=O)COCc1ccc(cc1)Br 1458a_200012349173_200025704644 [0,0,0,0,0,2|2,0,0]=4 6101 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)Br 1458a_100000150267_200025704644 [0,0,0,0,0,2|2,0,0]=4 6102 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)Cl 1458a_100000150262_200025704644 [0,0,0,0,0,2|2,0,0]=4 6103 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)F 1458a_100000150272_200025704644 [0,0,0,0,0,2|2,0,0]=4