0 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.13 C=C(C)c1ccc(=O)[nH]n1 271570a_100000694244_100009820020 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.13 C=C(C)c1cnc(=O)[nH]c1 271570a_100000694244_102495366499 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.13 CC(=O)C1=NNC(=O)CC1 1458a_100000183032_200000210301 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,0,0,0,0,0|1,0,2]=3 25 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [0,0,0,0,0,0|2,0,2]=4 26 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [0,0,0,0,0,0|2,0,2]=4 28 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [0,0,0,0,0,0|1,0,3]=4 29 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,0,0,0,0,0|1,0,2]=3 34 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [0,0,0,0,0,0|2,0,2]=4 35 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [0,0,0,0,0,0|2,0,2]=4 36 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [0,0,0,0,0,0|2,0,2]=4 37 B10R1.13 OB(O)c1ccc(nc1)O 271570a_203496583355_100000688115 [0,0,0,0,0,0|1,0,3]=4 38 B10R1.13 [13CH3]C(=O)C1=NNC(=O)CC1 1458a_100000183032_200025704644 [0,0,0,0,0,0|2,0,2]=4 39 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,0,0,0,0,0|2,0,1]=3 44 B9R1.1 C=Cc1ccc(=O)[nH]c1 271570a_100011290941_100000212171 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.1 C=Cc1ccc(=O)[nH]n1 271570a_100011290941_100009820020 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 C=Cc1ccc(nc1)Br 271570a_100011290941_100009814638 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.1 C=Cc1ccc(nc1)Cl 271570a_100011290941_100000034144 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.1 C=Cc1ccc(nc1)F 271570a_100011290941_100000748661 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.1 C=Cc1ccc(nc1)N 271570a_100011290941_100000187370 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.1 C=Cc1cnc(=O)[nH]c1 271570a_100011290941_102495366499 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.1 CSc1ccc(=O)[nH]c1 62a_100000212171_200000210301 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.1 CSc1ccc(=O)[nH]c1 62a_200000210301_100000212171 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.1 CSc1ccc(=O)[nH]n1 62a_100009820020_200000210301 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.1 CSc1ccc(=O)[nH]n1 62a_200000210301_100009820020 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.1 CSc1cnc(=O)[nH]c1 62a_102495366499_200000210301 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.1 CSc1cnc(=O)[nH]c1 62a_200000210301_102495366499 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [1,0,0,0,0,0|0,0,2]=3 68 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [1,0,0,0,0,0|1,0,2]=4 69 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [1,0,0,0,0,0|1,0,2]=4 70 B9R1.1 O=Cc1cnc(nc1)O 271570a_203496583355_100000070856 [1,0,0,0,0,0|1,0,2]=4 71 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [1,0,0,0,0,0|1,0,2]=4 72 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [1,0,0,0,0,0|0,0,3]=4 73 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_100000212171_200025704644 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_200025704644_100000212171 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_100009820020_200025704644 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_200025704644_100009820020 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.1 [13CH3]Sc1cnc(=O)[nH]c1 62a_102495366499_200025704644 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.1 [13CH3]Sc1cnc(=O)[nH]c1 62a_200025704644_102495366499 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,0|2,0,0]=3 84 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.3 C=C(C)c1ccc(cc1)C=O 271570a_100000694244_100000186029 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.3 C=C(C)c1ccc(nc1)C=O 271570a_100000694244_100000754260 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.3 C=Cc1ccc(cn1)C(=O)C 271570a_100011290941_100000684857 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.3 C=Cc1ccc(cn1)C(=O)N 271570a_100011290941_100000162237 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [0,1,0,0,0,0|2,1,0]=4 99 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [0,1,0,0,0,0|2,1,0]=4 100 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [0,1,0,0,0,0|1,1,1]=4 101 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [0,1,0,0,0,0|1,1,1]=4 102 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.3 CNc1ccc(cn1)C(=O)N 27a_100102657272_100000162237 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [0,1,0,0,0,0|2,1,0]=4 115 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [0,1,0,0,0,0|2,1,0]=4 116 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [0,1,0,0,0,0|2,1,0]=4 117 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [0,1,0,0,0,0|2,1,0]=4 118 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [0,1,0,0,0,0|2,1,0]=4 119 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [0,1,0,0,0,0|2,1,0]=4 120 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [0,1,0,0,0,0|1,1,1]=4 121 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [0,1,0,0,0,0|1,1,1]=4 122 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_100000162237_200000210301 [0,1,0,0,0,0|1,1,1]=4 123 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_200000210301_100000162237 [0,1,0,0,0,0|1,1,1]=4 124 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [0,1,0,0,0,0|2,1,0]=4 130 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [0,1,0,0,0,0|2,1,0]=4 131 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_100000162237_200025704644 [0,1,0,0,0,0|1,1,1]=4 132 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_200025704644_100000162237 [0,1,0,0,0,0|1,1,1]=4 133 B11R1.21 C=C(C)c1c[nH]c(=O)c(c1)Br 271570a_100000694244_100010125443 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.21 C=C(C)c1c[nH]c(=O)c(c1)F 271570a_100000694244_100000723523 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.21 C=C(C)c1c[nH]c(=O)c(c1)O 271570a_100000694244_100009814561 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.21 C=C(C)c1c[nH]c(=O)c(n1)C 271570a_100000694244_100010363809 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.21 C=C(C)c1cc(c(=O)[nH]n1)C 271570a_100000694244_100012187101 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.21 C=C(C)c1cc(c(=O)[nH]n1)N 271570a_100000694244_100000102183 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.21 C=C(C)c1ccc(=O)n(c1)C 271570a_100000694244_100011245003 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.21 C=C(C)c1ccc(=O)n(n1)C 271570a_100000694244_100009820752 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.21 C=C(C)c1cn(c(=O)cn1)C 271570a_100000694244_100009843036 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.21 C=C(C)c1cnc(=O)n(c1)C 271570a_100000694244_100009819886 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [0,1,0,0,0,0|1,0,2]=4 189 B11R1.21 CC(=O)c1cnc(c(c1)O)F 271570a_203496583355_200010135287 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [0,1,0,0,0,0|1,0,2]=4 263 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,1,0,0,0,0|1,0,1]=3 264 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [0,1,0,0,0,0|0,0,2]=3 266 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [0,1,0,0,0,0|1,0,2]=4 267 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [0,1,0,0,0,0|1,0,2]=4 268 B11R1.22 COC(=O)c1cnc(nc1)O 271570a_203496583355_100000729365 [0,1,0,0,0,0|1,0,2]=4 269 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.22 NNC(=O)c1ccc(nc1)O 271570a_203496583355_100000189807 [0,1,0,0,0,0|1,0,2]=4 274 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [0,1,0,0,0,0|2,0,1]=4 279 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,1,0,0,0,0|1,0,1]=3 280 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,1,0,0,0,0|1,0,2]=4 281 B11R1.166 C=C(C)c1c[nH]c(=O)cc1F 271570a_100000694244_100015631685 [0,1,0,0,0,0|2,0,0]=3 282 B11R1.166 C=C(C)c1c[nH]c(=O)nc1N 271570a_100000694244_100000050048 [0,1,0,0,0,0|3,0,0]=4 283 B11R1.166 C=C(C)c1ccc(=O)[nH]c1N 271570a_100000694244_100009884077 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.166 C=C(C)c1n[nH]c(=O)cc1C 271570a_100000694244_100000081757 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,1,0,0,0,0|2,0,1]=4 297 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,1,0,0,0,0|2,0,1]=4 298 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [0,1,0,0,0,0|2,0,1]=4 304 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [0,1,0,0,0,0|2,0,1]=4 311 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [0,1,0,0,0,0|2,0,1]=4 316 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [0,1,0,0,0,0|2,0,1]=4 326 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [0,1,0,0,0,0|2,0,1]=4 327 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,1,0,0,0,0|2,0,1]=4 332 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [0,1,0,0,0,0|1,0,2]=4 333 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [0,1,0,0,0,0|2,0,1]=4 340 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [0,1,0,0,0,0|2,0,1]=4 341 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [0,1,0,0,0,0|2,0,1]=4 342 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [0,1,0,0,0,0|2,0,1]=4 346 B11R1.166 NC(=O)c1ccc(nc1N)O 271570a_203496583355_100009875182 [0,1,0,0,0,0|1,0,2]=4 347 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [0,1,0,0,0,0|2,0,1]=4 352 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [0,1,0,0,0,0|3,0,0]=4 355 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [0,1,0,0,0,0|3,0,0]=4 360 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [0,1,0,0,0,0|3,0,0]=4 364 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [0,1,0,0,0,0|2,0,1]=4 370 B9R0.1 C=CC(=O)C/C=C/B(O)O 1458a_100000185746_100016262062 [0,0,1,0,0,0|2,0,1]=4 371 B9R0.1 C=CC(=O)NCC=C(C)C 1626a_100000718196_100000185746 [0,0,1,0,0,0|2,0,1]=4 372 B9R0.1 C=CC(=O)NCCC(=O)N 240690a_100000740010_200121576911 [0,0,1,0,0,0|1,0,2]=4 373 B9R0.13 C=C[C@H](NCC=O)C(=O)O 269956a_100016992060_200015260668 [0,0,1,0,0,0|2,0,1]=4 374 B11R2.34 O=c1ccc(c[nH]1)C2CC2 271570a_100011220607_100000212171 [0,0,0,1,0,0|2,0,1]=4 375 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,0,0,0,1,0|2,0,1]=4 376 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,0,0,0,1,0|1,0,1]=3 377 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,0,0,0,1,0|2,0,1]=4 378 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,0,0,0,1,0|2,0,1]=4 379 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,0,0,0,1,0|2,0,1]=4 380 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,0,0,0,1,0|2,0,1]=4 381 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,0,0,0,1,0|2,0,1]=4 382 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,0,0,0,1,0|2,0,1]=4 383 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,0,0,0,1,0|2,0,1]=4 384 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,0,0,0,1,0|2,0,1]=4 385 B11R1.20 CC(=Cc1ccc(=O)[nH]c1)C 271570a_100102525489_100000212171 [0,0,0,0,0,1|2,0,0]=3 386 B11R1.20 CC(=Cc1ccc(=O)[nH]n1)C 271570a_100102525489_100009820020 [0,0,0,0,0,1|3,0,0]=4 387 B11R1.20 CC(=Cc1cnc(=O)[nH]c1)C 271570a_100102525489_102495366499 [0,0,0,0,0,1|3,0,0]=4 388 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,0,0,0,0,1|3,0,0]=4 389 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,0,0,0,0,1|3,0,0]=4 390 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,0,0,0,0,1|3,0,0]=4 391 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,0,0,0,0,1|3,0,0]=4 392 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,0,0,0,0,1|3,0,0]=4 393 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,0,0,0,0,1|3,0,0]=4 394 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,0,0,0,0,1|3,0,0]=4 395 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,0,0,0,0,1|3,0,0]=4 396 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,0,0,0,0,1|3,0,0]=4 397 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,0,0,0,0,1|3,0,0]=4 398 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,0,0,0,0,1|2,0,1]=4 399 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,0,0,0,0,1|2,0,1]=4 400 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [0,0,0,0,0,1|2,0,1]=4 401 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [0,0,0,0,0,1|2,0,1]=4 402 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [0,0,0,0,0,1|2,0,1]=4 403 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [0,0,0,0,0,1|2,0,1]=4 404 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [0,0,0,0,0,1|2,0,1]=4 405 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [0,0,0,0,0,1|2,0,1]=4 406 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [0,0,0,0,0,1|2,0,1]=4 407 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [0,0,0,0,0,1|3,0,0]=4 408 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,0,0,0,0,1|3,0,0]=4 409 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,0,0,0,0,1|3,0,0]=4 410 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,0,0,0,0,1|3,0,0]=4 411 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,0,0,0,0,1|3,0,0]=4 412 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,0,0,0,0,1|3,0,0]=4 413 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,0,0,0,0,1|3,0,0]=4 414 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,0,0,0,0,1|3,0,0]=4 415 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,0,0,0,0,1|3,0,0]=4 416 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,0,0,0,0,1|3,0,0]=4 417 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,0,0,0,0,1|3,0,0]=4 418 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,0,0,0,0,1|3,0,0]=4 419 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,0,0,0,0,1|3,0,0]=4 420 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,0,0,0,0,1|3,0,0]=4 421 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,0,0,0,0,1|3,0,0]=4 422 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,0,0,0,0,1|3,0,0]=4 423 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,0,0,0,0,1|3,0,0]=4 424 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,0,0,0,0,1|3,0,0]=4 425 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,0,0,0,0,1|3,0,0]=4 426 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,0,0,0,0,1|3,0,0]=4 427 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,0,0,0,0,1|3,0,0]=4 428 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,0,0,0,0,1|2,0,1]=4 429 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,0,0,0,0,1|2,0,1]=4 430 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [0,0,0,0,0,1|1,0,2]=4 431 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,0,0,0,0,1|2,0,1]=4 432 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,0,0,0,0,1|2,0,1]=4 433 B11R1.20 CC(C)Oc1ccc(=O)[nH]c1 34a_100000075641_100000210206 [0,0,0,0,0,1|2,0,1]=4 434 B11R1.20 CC(C)Sc1ccc(=O)[nH]c1 62a_100000210206_100000212171 [0,0,0,0,0,1|2,0,1]=4 435 B11R1.20 CC(C)Sc1ccc(=O)[nH]c1 62a_100000212171_100000210206 [0,0,0,0,0,1|2,0,1]=4 436 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,0,0,0,0,1|3,0,0]=4 437 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [0,0,0,0,0,1|2,0,1]=4 438 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,0,0,0,0,1|2,0,1]=4 439 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [0,0,0,0,0,1|1,0,2]=4 440 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,0,0,0,0,1|2,0,1]=4 441 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,0,0,0,0,1|3,0,0]=4 442 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,0,0,0,0,1|3,0,0]=4 443 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,0,0,0,0,1|3,0,0]=4 444 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,0,0,0,0,1|3,0,0]=4 445 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,0,0,0,0,1|2,0,1]=4 446 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [0,0,0,0,0,1|2,0,1]=4 447 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [0,0,0,0,0,1|2,0,1]=4 448 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [0,0,0,0,0,1|3,0,0]=4 449 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [1,0,1,0,0,0|1,0,1]=4 450 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [1,0,1,0,0,0|1,0,1]=4 451 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [1,0,1,0,0,0|1,0,1]=4 452 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|2,0,0]=4 453 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|1,0,1]=4 454 B8R1.3 Cc1ccc(cc1)O 271570a_203496583355_100000186775 [2,0,0,0,0,0|2,0,0]=4 455 B8R1.3 Cc1ccc(cn1)O 271570a_203496583355_100000751577 [2,0,0,0,0,0|1,0,1]=4 456 B8R1.3 Nc1ccc(cc1)O 271570a_203496583355_100000185761 [2,0,0,0,0,0|2,0,0]=4 457 B8R1.3 Nc1ccc(cn1)O 271570a_203496583355_100000187370 [2,0,0,0,0,0|1,0,1]=4 458 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [2,0,0,0,0,0|0,0,0]=2 459 B8R1.3 O=c1ccc(n[nH]1)O 271570a_203496583355_100009820020 [2,0,0,0,0,0|1,0,0]=3 460 B8R1.3 O=c1ncc(c[nH]1)O 271570a_203496583355_102495366499 [2,0,0,0,0,0|1,0,0]=3 461 B8R1.3 Oc1ccc(cc1)Br 271570a_203496583355_100000752885 [2,0,0,0,0,0|2,0,0]=4 462 B8R1.3 Oc1ccc(cc1)Cl 271570a_203496583355_100000755918 [2,0,0,0,0,0|2,0,0]=4 463 B8R1.3 Oc1ccc(cc1)F 271570a_203496583355_100000211213 [2,0,0,0,0,0|2,0,0]=4 464 B8R1.3 Oc1ccc(cc1)O 271570a_203496583355_100000185759 [2,0,0,0,0,0|1,0,1]=4 465 B8R1.3 Oc1ccc(nc1)Br 271570a_203496583355_100009814638 [2,0,0,0,0,0|1,0,1]=4 466 B8R1.3 Oc1ccc(nc1)Cl 271570a_203496583355_100000034144 [2,0,0,0,0,0|1,0,1]=4 467 B8R1.3 Oc1ccc(nc1)F 271570a_203496583355_100000748661 [2,0,0,0,0,0|1,0,1]=4 468 B8R1.3 Oc1ccc(nc1)O 271570a_203496583355_100000685995 [2,0,0,0,0,0|0,0,2]=4 469 B10R0.82 C=CC(=O)NNC(=O)C(=O)N 22a_100000211141_100000185746 [0,1,1,0,0,0|2,0,0]=4 470 B10R1.1 C=C=Cc1ccc(=O)[nH]c1 271570a_100015277604_100000212171 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.1 C=C=Cc1ccc(=O)[nH]n1 271570a_100015277604_100009820020 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.1 C=C=Cc1cnc(=O)[nH]c1 271570a_100015277604_102495366499 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.1 CC=Cc1ccc(=O)[nH]c1 271570a_100016259895_100000212171 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.1 CC=Cc1ccc(=O)[nH]n1 271570a_100016259895_100009820020 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.1 CC=Cc1cnc(=O)[nH]c1 271570a_100016259895_102495366499 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.1 CCOc1ccc(=O)[nH]c1 34a_100000075641_100000210202 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.1 CCSc1ccc(=O)[nH]c1 62a_100000210202_100000212171 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.1 CCSc1ccc(=O)[nH]c1 62a_100000212171_100000210202 [1,1,0,0,0,0|1,0,1]=4 479 B10R1.1 COCc1ccc(=O)[nH]c1 34a_100011999846_200000210301 [1,1,0,0,0,0|0,0,1]=3 480 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.1 O=c1ccc(c[nH]1)OCF 34a_100000075641_100015361967 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.1 O=c1ccc(c[nH]1)SCF 62a_100000212171_100015361967 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.1 O=c1ccc(c[nH]1)SCF 62a_100015361967_100000212171 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.1 [13CH3]OCc1ccc(=O)[nH]c1 34a_100011999846_200025704644 [1,1,0,0,0,0|0,0,1]=3 485 B10R1.3 C=Cc1ccc(cc1)C=O 271570a_100011290941_100000186029 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.3 C=Cc1ccc(cn1)C=O 271570a_100011290941_100000766901 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.3 C=Cc1ccc(nc1)C=O 271570a_100011290941_100000754260 [1,1,0,0,0,0|1,0,1]=4 488 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [1,1,0,0,0,0|1,1,0]=4 489 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [1,1,0,0,0,0|1,1,0]=4 490 B10R1.3 CSc1ccc(cn1)C=O 62a_100000766901_200000210301 [1,1,0,0,0,0|0,1,1]=4 491 B10R1.3 CSc1ccc(cn1)C=O 62a_200000210301_100000766901 [1,1,0,0,0,0|0,1,1]=4 492 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [1,1,0,0,0,0|1,1,0]=4 493 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [1,1,0,0,0,0|1,1,0]=4 494 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_100000766901_200025704644 [1,1,0,0,0,0|0,1,1]=4 495 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_200025704644_100000766901 [1,1,0,0,0,0|0,1,1]=4 496 B10R1.25 C=Cc1c[nH]c(=O)cc1F 271570a_100011290941_100015631685 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.25 C=Cc1c[nH]c(=O)nc1N 271570a_100011290941_100000050048 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.25 C=Cc1ccc(=O)[nH]c1N 271570a_100011290941_100009884077 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.25 C=Cc1n[nH]c(=O)cc1C 271570a_100011290941_100000081757 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.25 COc1c[nH]c(=O)cc1O 271570a_203496583355_100121573661 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.25 CSc1c[nH]c(=O)cc1F 62a_100015631685_200000210301 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.25 CSc1c[nH]c(=O)cc1F 62a_200000210301_100015631685 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.25 CSc1ccc(=O)[nH]c1N 62a_100009884077_200000210301 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.25 Cc1cc(ccc1C=O)O 271570a_203496583355_100000687586 [1,1,0,0,0,0|1,0,1]=4 505 B10R1.25 Cc1cc(ncc1C=O)O 271570a_203496583355_100000085382 [1,1,0,0,0,0|0,0,2]=4 506 B10R1.25 Cc1ccc(c(c1)O)C=O 271570a_203496583355_100000692596 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.25 Cc1ccc(c(n1)O)C=O 271570a_203496583355_100000085379 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.25 Cc1nc(ccc1C=O)O 271570a_203496583355_100000050599 [1,1,0,0,0,0|0,0,2]=4 509 B10R1.25 Nc1cc(ccc1C=O)O 271570a_203496583355_100009814810 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.25 O=Cc1ccc(cc1Br)O 271570a_203496583355_100010185650 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.25 O=Cc1ccc(cc1Cl)O 271570a_203496583355_100000727542 [1,1,0,0,0,0|1,0,1]=4 512 B10R1.25 O=Cc1ccc(cc1F)O 271570a_203496583355_100000211676 [1,1,0,0,0,0|1,0,1]=4 513 B10R1.25 O=Cc1ccc(cc1O)Br 271570a_203496583355_100010146562 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.25 O=Cc1ccc(cc1O)F 271570a_203496583355_100000752949 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011236494 [1,1,0,0,0,0|1,0,1]=4 516 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011277552 [1,1,0,0,0,0|1,0,1]=4 517 B10R1.25 O=Cc1ccc(nc1F)O 271570a_203496583355_100010064369 [1,1,0,0,0,0|0,0,2]=4 518 B10R1.25 O=Cc1ccc(nc1O)F 271570a_203496583355_100009846357 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.25 O=Cc1cnc(cc1O)F 271570a_203496583355_100009862493 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.25 [13CH3]Sc1c[nH]c(=O)cc1F 62a_100015631685_200025704644 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.25 [13CH3]Sc1c[nH]c(=O)cc1F 62a_200025704644_100015631685 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.25 [13CH3]Sc1ccc(=O)[nH]c1N 62a_100009884077_200025704644 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.176 C=Cc1c[nH]c(=O)c(c1)Br 271570a_100011290941_100010125443 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.176 C=Cc1c[nH]c(=O)c(c1)F 271570a_100011290941_100000723523 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.176 C=Cc1c[nH]c(=O)c(c1)O 271570a_100011290941_100009814561 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.176 C=Cc1c[nH]c(=O)c(n1)C 271570a_100011290941_100010363809 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.176 C=Cc1cc(c(=O)[nH]n1)C 271570a_100011290941_100012187101 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.176 C=Cc1cc(c(=O)[nH]n1)N 271570a_100011290941_100000102183 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.176 C=Cc1ccc(=O)n(c1)C 271570a_100011290941_100011245003 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.176 C=Cc1ccc(=O)n(n1)C 271570a_100011290941_100009820752 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.176 C=Cc1cn(c(=O)cn1)C 271570a_100011290941_100009843036 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.176 C=Cc1cnc(=O)n(c1)C 271570a_100011290941_100009819886 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.176 CSc1c[nH]c(=O)c(c1)Br 62a_100010125443_200000210301 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.176 CSc1c[nH]c(=O)c(c1)Br 62a_200000210301_100010125443 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.176 CSc1c[nH]c(=O)c(c1)F 62a_100000723523_200000210301 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.176 CSc1c[nH]c(=O)c(c1)F 62a_200000210301_100000723523 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.176 CSc1c[nH]c(=O)c(c1)O 62a_200000210301_100009814561 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.176 CSc1ccc(=O)n(c1)C 62a_100011245003_200000210301 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.176 CSc1ccc(=O)n(c1)C 62a_200000210301_100011245003 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [1,1,0,0,0,0|1,0,1]=4 541 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [1,1,0,0,0,0|0,0,2]=4 542 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.176 Cn1cc(ccc1=O)S[13CH3] 62a_100011245003_200025704644 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.176 Cn1cc(ccc1=O)S[13CH3] 62a_200025704644_100011245003 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.176 Nc1ncc(cc1O)C=O 271570a_203496583355_100010064899 [1,1,0,0,0,0|1,0,1]=4 546 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [1,1,0,0,0,0|1,0,1]=4 547 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.176 O=Cc1cnc(c(c1)F)O 271570a_203496583355_100009866847 [1,1,0,0,0,0|0,0,2]=4 553 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [1,1,0,0,0,0|0,0,2]=4 554 B10R1.176 [13CH3]Sc1c[nH]c(=O)c(c1)Br 62a_100010125443_200025704644 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.176 [13CH3]Sc1c[nH]c(=O)c(c1)Br 62a_200025704644_100010125443 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.176 [13CH3]Sc1c[nH]c(=O)c(c1)F 62a_100000723523_200025704644 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.176 [13CH3]Sc1c[nH]c(=O)c(c1)F 62a_200025704644_100000723523 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.176 [13CH3]Sc1c[nH]c(=O)c(c1)O 62a_200025704644_100009814561 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,1,0,0,0,0|1,0,1]=4 577 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,1,0,0,0,0|1,0,1]=4 578 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [1,1,0,0,0,0|1,0,1]=4 581 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [1,1,0,0,0,0|1,0,1]=4 582 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [1,1,0,0,0,0|1,0,1]=4 596 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [1,1,0,0,0,0|1,0,1]=4 599 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.14 COC(=O)c1c[nH]c(c1)O 271570a_203496583355_100009840242 [0,1,0,0,1,0|0,0,1]=3 605 B10R1.14 COC(=O)c1cc([nH]n1)O 271570a_203496583355_100010760819 [0,1,0,0,1,0|1,0,1]=4 606 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [0,1,0,0,1,0|1,0,1]=4 607 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [0,1,0,0,1,0|1,0,1]=4 608 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,1,0,0,1,0|0,0,1]=3 609 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,1,0,0,1,0|1,0,1]=4 610 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,1,0,0,1,0|1,0,1]=4 611 B10R1.14 COC(=O)c1cnc([nH]1)O 271570a_203496583355_106744473586 [0,1,0,0,1,0|1,0,1]=4 612 B10R1.14 COC(=O)c1csc(c1)O 271570a_203496583355_100000692058 [0,1,0,0,1,0|1,0,1]=4 613 B10R1.31 C=Cc1ccc([nH]1)C(=O)C 271570a_100011290941_200010494458 [0,1,0,0,1,0|2,0,0]=4 614 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [0,1,0,0,1,0|1,1,0]=4 615 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [0,1,0,0,1,0|1,1,0]=4 616 B10R1.194 CC(=O)c1c[nH]c(c1C)O 271570a_203496583355_200010235672 [0,1,0,0,1,0|1,0,1]=4 617 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [0,1,0,0,0,1|2,0,0]=4 618 B12R1.19 CC(=Cc1c[nH]c(=O)c(c1)Br)C 271570a_100102525489_100010125443 [0,1,0,0,0,1|2,0,0]=4 619 B12R1.19 CC(=Cc1c[nH]c(=O)c(c1)F)C 271570a_100102525489_100000723523 [0,1,0,0,0,1|2,0,0]=4 620 B12R1.19 CC(=Cc1c[nH]c(=O)c(c1)O)C 271570a_100102525489_100009814561 [0,1,0,0,0,1|2,0,0]=4 621 B12R1.19 CC(=Cc1ccc(=O)n(c1)C)C 271570a_100102525489_100011245003 [0,1,0,0,0,1|2,0,0]=4 622 B12R1.20 CC(=C(C)c1ccc(=O)[nH]c1)C 271570a_200000049429_100000212171 [0,1,0,0,0,1|2,0,0]=4 623 B12R1.49 CC(CO)Oc1ccc(=O)[nH]c1 34a_100000075641_100012180447 [0,1,0,0,0,1|1,0,1]=4 624 B12R1.49 CC(CO)Sc1ccc(=O)[nH]c1 62a_100012180447_100000212171 [0,1,0,0,0,1|1,0,1]=4 625 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [0,1,0,0,0,1|1,0,1]=4 626 B12R1.49 COC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071674 [0,1,0,0,0,1|0,0,2]=4 627 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [0,1,0,0,0,1|1,0,1]=4 628 B12R1.49 COC(C)Sc1ccc(=O)[nH]c1 62a_100000212171_100009879195 [0,1,0,0,0,1|1,0,1]=4 629 B12R1.49 COC(C)Sc1ccc(=O)[nH]c1 62a_100009879195_100000212171 [0,1,0,0,0,1|1,0,1]=4 630 B12R1.49 C[C@H](CO)Sc1ccc(=O)[nH]c1 62a_100000212171_100016084084 [0,1,0,0,0,1|1,0,1]=4 631 B12R1.49 C[C@H](CO)Sc1ccc(=O)[nH]c1 62a_100016084084_100000212171 [0,1,0,0,0,1|1,0,1]=4 632 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,1,0,0,0,1|2,0,0]=4 633 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,1,0,0,0,1|2,0,0]=4 634 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,1,0,0,0,1|2,0,0]=4 635 B12R1.49 Cc1ccc(cn1)CC(=O)CO 1458a_100000210174_100016987292 [0,1,0,0,0,1|1,0,1]=4 636 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,1,0,0,0,1|2,0,0]=4 637 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,1,0,0,0,1|2,0,0]=4 638 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,1,0,0,0,1|2,0,0]=4 639 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,1,0,0,0,1|2,0,0]=4 640 B12R1.49 O=C(CO)Cc1ccc(nc1)Br 1458a_100000210174_100009831999 [0,1,0,0,0,1|1,0,1]=4 641 B12R1.49 O=C(CO)Cc1ccc(nc1)Cl 1458a_100000210174_100000735431 [0,1,0,0,0,1|1,0,1]=4 642 B12R1.49 O=C(CO)Cc1ccc(nc1)F 1458a_100000210174_100009820150 [0,1,0,0,0,1|1,0,1]=4 643 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,1,0,0,0,1|2,0,0]=4 644 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,1,0,0,0,1|2,0,0]=4 645 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,1,0,0,0,1|2,0,0]=4 646 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,1,0,0,0,1|2,0,0]=4 647 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,1,0,0,0,1|2,0,0]=4 648 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,1,0,0,0,1|2,0,0]=4 649 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,1,0,0,0,1|2,0,0]=4 650 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,1,0,0,0,1|2,0,0]=4 651 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,1,0,0,0,1|1,0,1]=4 652 B12R1.233 CC(=Cc1c[nH]c(=O)cc1F)C 271570a_100102525489_100015631685 [0,1,0,0,0,1|2,0,0]=4 653 B12R1.233 CC(=Cc1ccc(=O)[nH]c1N)C 271570a_100102525489_100009884077 [0,1,0,0,0,1|2,0,0]=4 654 B12R1.233 CC(=O)Cc1c[nH]c(=O)[nH]c1=O 1458a_100000070787_100000035367 [0,1,0,0,0,1|2,0,0]=4 655 B12R1.233 CC(=O)Cn1ccc(=O)[nH]c1=O 1458a_100000212167_200000210301 [0,1,0,0,0,1|2,0,0]=4 656 B12R1.233 [13CH3]C(=O)Cn1ccc(=O)[nH]c1=O 1458a_100000212167_200025704644 [0,1,0,0,0,1|2,0,0]=4 657 B12R1.5 C=Cc1ccc(cc1)C(=O)CO 271570a_100011290941_100011219529 [0,2,0,0,0,0|2,0,0]=4 658 B12R1.5 C=Cc1ccc(cc1)C(=O)OC 271570a_100011290941_100000150774 [0,2,0,0,0,0|2,0,0]=4 659 B12R1.5 C=Cc1ccc(cn1)C(=O)OC 271570a_100011290941_100000733799 [0,2,0,0,0,0|1,0,1]=4 660 B12R1.5 CNc1ccc(cn1)C(=O)OC 27a_100102657272_100000733799 [0,2,0,0,0,0|1,0,1]=4 661 B12R1.5 COC(=O)c1ccc(cc1)OC 34a_100000150123_200000210301 [0,2,0,0,0,0|1,0,1]=4 662 B12R1.5 COC(=O)c1ccc(cc1)OC 7a_100000150123_200000210301 [0,2,0,0,0,0|1,0,1]=4 663 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 34a_100000150123_200025704644 [0,2,0,0,0,0|1,0,1]=4 664 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 7a_100000150123_200025704644 [0,2,0,0,0,0|1,0,1]=4 665 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_100000150774_200000210301 [0,2,0,0,0,0|1,1,0]=4 666 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_200000210301_100000150774 [0,2,0,0,0,0|1,1,0]=4 667 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_100000150774_200025704644 [0,2,0,0,0,0|1,1,0]=4 668 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000150774 [0,2,0,0,0,0|1,1,0]=4 669 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_100000733799_200000210301 [0,2,0,0,0,0|0,1,1]=4 670 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_200000210301_100000733799 [0,2,0,0,0,0|0,1,1]=4 671 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_100000733799_200025704644 [0,2,0,0,0,0|0,1,1]=4 672 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000733799 [0,2,0,0,0,0|0,1,1]=4 673 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_100011219529_200000210301 [0,2,0,0,0,0|1,1,0]=4 674 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_200000210301_100011219529 [0,2,0,0,0,0|1,1,0]=4 675 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_100011219529_200025704644 [0,2,0,0,0,0|1,1,0]=4 676 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_200025704644_100011219529 [0,2,0,0,0,0|1,1,0]=4 677 B12R1.113 CNCc1ccc(cc1)C(=O)O 269956a_100000181780_200000210301 [0,2,0,0,0,0|2,0,0]=4 678 B12R1.113 [13CH3]NCc1ccc(cc1)C(=O)O 269956a_100000181780_200025704644 [0,2,0,0,0,0|2,0,0]=4 679 B12R1.256 CC(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200000210301 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.256 CC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_200000210301 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200000210301 [0,2,0,0,0,0|2,0,0]=4 682 B12R1.256 CS(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_200000217594_200025704644 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200025704644 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.256 [13CH3]C(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200025704644 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.56 C=C(C)c1c[nH]c(=O)c(c1)OC 271570a_100000694244_100010125397 [0,2,0,0,0,0|2,0,0]=4 686 B12R1.56 C=C(C)c1ccc(=O)n(c1)CC 271570a_100000694244_100000231005 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.232 C=C(C)c1cc(c(=O)[nH]c1C)N 271570a_100000694244_100010126670 [0,2,0,0,0,0|2,0,0]=4 688 B12R1.367 COC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294788 [0,2,0,0,0,0|1,0,1]=4 689 B12R1.367 COC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100011215878 [0,2,0,0,0,0|1,0,1]=4 690 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_100012356344 [0,2,0,0,0,0|1,0,1]=4 691 B12R1.367 COC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000703229 [0,2,0,0,0,0|1,0,1]=4 692 B12R1.367 COC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100011450966 [0,2,0,0,0,0|1,0,1]=4 693 B12R1.367 COC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100012349818 [0,2,0,0,0,0|2,0,0]=4 694 B12R1.367 COC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011218856 [0,2,0,0,0,0|2,0,0]=4 695 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100011294800 [0,2,0,0,0,0|2,0,0]=4 696 B12R1.367 COC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000722584 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.367 COC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100000187552 [0,2,0,0,0,0|2,0,0]=4 698 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100000216328 [0,2,0,0,0,0|1,0,1]=4 699 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012350776 [0,2,0,0,0,0|1,0,1]=4 700 B12R1.367 COC(=O)c1cnc(c(c1)Br)O 271570a_203496583355_100010114297 [0,2,0,0,0,0|0,0,2]=4 701 B12R1.367 COC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009862495 [0,2,0,0,0,0|0,0,2]=4 702 B12R1.367 COC(=O)c1cnc(c(c1)F)O 271570a_203496583355_100010189625 [0,2,0,0,0,0|0,0,2]=4 703 B12R1.367 COC(=O)c1cnc(c(c1)N)O 271570a_203496583355_100000079130 [0,2,0,0,0,0|0,0,2]=4 704 B12R1.367 COC(=O)c1cnc(c(c1)O)Cl 271570a_203496583355_100010188758 [0,2,0,0,0,0|1,0,1]=4 705 B12R1.367 COC(=O)c1cnc(c(c1)O)F 271570a_203496583355_100000117919 [0,2,0,0,0,0|1,0,1]=4 706 B12R1.367 COC(=O)c1cnc(c(c1)O)N 271570a_203496583355_100009816800 [0,2,0,0,0,0|1,0,1]=4 707 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010109663 [0,2,0,0,0,0|0,0,2]=4 708 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010999399 [0,2,0,0,0,0|0,0,2]=4 709 B12R1.367 COC(=O)c1coc(=O)c(c1)O 271570a_203496583355_100009812866 [0,2,0,0,0,0|1,0,0]=3 710 B12R1.893 C=C(C)c1c[nH]c(=O)c(c1C)N 271570a_100000694244_100010163742 [0,2,0,0,0,0|2,0,0]=4 711 B12R1.1005 C=C(C)c1cc(c(=O)n(c1)C)C 271570a_100000694244_100011830242 [0,2,0,0,0,0|2,0,0]=4 712 B12R1.1005 C=C(C)c1cc(c(=O)n(c1)C)F 271570a_100000694244_100010749421 [0,2,0,0,0,0|2,0,0]=4 713 B12R1.1005 C=C(C)c1cc(c(=O)n(c1)C)N 271570a_100000694244_106446545582 [0,2,0,0,0,0|2,0,0]=4 714 B12R1.16 CCOC(=O)c1ccc(cc1)O 271570a_203496583355_100000170077 [0,2,0,0,0,0|1,0,1]=4 715 B12R1.16 CCOC(=O)c1ccc(nc1)O 271570a_203496583355_100000170224 [0,2,0,0,0,0|0,0,2]=4 716 B12R1.16 COCC(=O)c1ccc(cc1)Br 34a_100138415774_100000188085 [0,2,0,0,0,0|2,0,0]=4 717 B12R1.16 COCC(=O)c1ccc(cc1)C 34a_100138415774_100000211441 [0,2,0,0,0,0|2,0,0]=4 718 B12R1.16 COCC(=O)c1ccc(cc1)F 34a_100000246311_200000210301 [0,2,0,0,0,0|2,0,0]=4 719 B12R1.16 COCC(=O)c1ccc(cc1)I 34a_100138415774_100011216261 [0,2,0,0,0,0|2,0,0]=4 720 B12R1.16 COCC(=O)c1ccc(cc1)O 271570a_203496583355_200011343064 [0,2,0,0,0,0|1,0,1]=4 721 B12R1.16 COCC(=O)c1ccc(cc1)O 34a_100138415774_100009814261 [0,2,0,0,0,0|1,0,1]=4 722 B12R1.16 Cc1ccc(cc1)C(=O)CCO 1458a_100000188618_100000211926 [0,2,0,0,0,0|2,0,0]=4 723 B12R1.16 O=C(CCO)c1ccc(cc1)Br 1458a_100000185839_100000211926 [0,2,0,0,0,0|2,0,0]=4 724 B12R1.16 O=C(CCO)c1ccc(cc1)Cl 1458a_100000210187_100000211926 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.16 O=C(CCO)c1ccc(cc1)F 1458a_100000187176_100000211926 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.16 O=C(CCO)c1ccc(cc1)I 1458a_100000187904_100000211926 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [0,2,0,0,0,0|1,0,1]=4 728 B12R1.16 [13CH3]OCC(=O)c1ccc(cc1)F 34a_100000246311_200025704644 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.1703 COC(=O)c1ccc(cc1Br)O 271570a_203496583355_100010247156 [0,2,0,0,0,0|1,0,1]=4 730 B12R1.1703 COC(=O)c1ccc(cc1C)O 271570a_203496583355_100000747612 [0,2,0,0,0,0|1,0,1]=4 731 B12R1.1703 COC(=O)c1ccc(cc1Cl)O 271570a_203496583355_100000060724 [0,2,0,0,0,0|1,0,1]=4 732 B12R1.1703 COC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216654 [0,2,0,0,0,0|1,0,1]=4 733 B12R1.1703 COC(=O)c1ccc(cc1N)O 271570a_203496583355_100011373473 [0,2,0,0,0,0|1,0,1]=4 734 B12R1.1703 COC(=O)c1ccc(cc1O)Br 271570a_203496583355_100000701758 [0,2,0,0,0,0|2,0,0]=4 735 B12R1.1703 COC(=O)c1ccc(cc1O)C 271570a_203496583355_100012340597 [0,2,0,0,0,0|2,0,0]=4 736 B12R1.1703 COC(=O)c1ccc(cc1O)Cl 271570a_203496583355_100000047510 [0,2,0,0,0,0|2,0,0]=4 737 B12R1.1703 COC(=O)c1ccc(cc1O)F 271570a_203496583355_100000204356 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.1703 COC(=O)c1ccc(cc1O)N 271570a_203496583355_100009998378 [0,2,0,0,0,0|2,0,0]=4 739 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100000062286 [0,2,0,0,0,0|1,0,1]=4 740 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100010150825 [0,2,0,0,0,0|1,0,1]=4 741 B12R1.1703 COC(=O)c1ccc(nc1C)O 271570a_203496583355_100000692007 [0,2,0,0,0,0|0,0,2]=4 742 B12R1.1703 COC(=O)c1ccc(nc1F)O 271570a_203496583355_100010189635 [0,2,0,0,0,0|0,0,2]=4 743 B12R1.1703 COC(=O)c1ccc(nc1N)O 271570a_203496583355_100000142702 [0,2,0,0,0,0|0,0,2]=4 744 B12R1.1703 COC(=O)c1ccc(nc1O)C 271570a_203496583355_100000054099 [0,2,0,0,0,0|1,0,1]=4 745 B12R1.1703 COC(=O)c1ccc(nc1O)N 271570a_203496583355_100009865240 [0,2,0,0,0,0|1,0,1]=4 746 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100015962272 [0,2,0,0,0,0|0,0,2]=4 747 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100016008356 [0,2,0,0,0,0|0,0,2]=4 748 B12R1.1703 COC(=O)c1cnc(cc1C)O 271570a_203496583355_100009871181 [0,2,0,0,0,0|0,0,2]=4 749 B12R1.1703 COC(=O)c1cnc(cc1N)O 271570a_203496583355_100009862510 [0,2,0,0,0,0|0,0,2]=4 750 B12R1.1703 COC(=O)c1cnc(cc1O)C 271570a_203496583355_100011998247 [0,2,0,0,0,0|1,0,1]=4 751 B12R1.1703 COC(=O)c1n[nH]c(=O)cc1O 271570a_203496583355_200021564684 [0,2,0,0,0,0|1,0,0]=3 752 B12R1.57 C=C(C)c1ccc(=O)[nH]c1C#N 271570a_100000694244_100010559384 [0,2,0,0,0,0|2,0,0]=4 753 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [0,0,0,1,0,1|1,0,1]=4 754 B12R2.606 O=c1ccn2nc(cc2[nH]1)O 271570a_203496583355_100134615181 [0,0,0,1,0,1|2,0,0]=4 755 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,1,0,1,0,0|1,0,1]=4 756 B12R2.612 O=C1OCc2c1ccc(c2)O 271570a_203496583355_100009816608 [0,1,0,1,0,0|1,0,1]=4 757 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [1,0,0,0,1,0|0,0,1]=3 758 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [1,0,0,0,1,0|1,0,1]=4 759 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [1,0,0,0,1,0|1,0,1]=4 760 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [1,0,0,0,1,0|1,0,1]=4 761 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [1,0,0,0,1,0|1,0,1]=4 762 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [1,0,0,0,1,0|1,0,1]=4 763 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,0,1|2,0,0]=4 764 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,0,0,0,0,1|1,0,1]=4 765 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,0,0,0,0,1|1,0,1]=4 766 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,0,1|2,0,0]=4 767 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,0,1|2,0,0]=4 768 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,0,1|2,0,0]=4 769 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,0,1|2,0,0]=4 770 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,0,0,0,0,1|1,0,1]=4 771 B12R1.21 C=C(C)COc1ccc(=O)[nH]c1 34a_100000075641_100000748629 [0,0,0,0,0,2|2,0,0]=4 772 B12R1.21 C=C(C)CSc1ccc(=O)[nH]c1 62a_100000212171_100000211660 [0,0,0,0,0,2|2,0,0]=4 773 B12R1.21 C=C(C)CSc1ccc(=O)[nH]c1 62a_100000748629_100000212171 [0,0,0,0,0,2|2,0,0]=4 774 B12R1.21 C=C(F)COc1ccc(=O)[nH]c1 34a_100000075641_100009893438 [0,0,0,0,0,2|2,0,0]=4 775 B12R1.21 C=C(F)CSc1ccc(=O)[nH]c1 62a_100000042424_100000212171 [0,0,0,0,0,2|2,0,0]=4 776 B12R1.21 C=C(F)CSc1ccc(=O)[nH]c1 62a_100000212171_100000042424 [0,0,0,0,0,2|2,0,0]=4 777 B12R1.21 CC(=O)CCc1ccc(=O)[nH]n1 1458a_200015201340_200000210301 [0,0,0,0,0,2|2,0,0]=4 778 B12R1.21 CC(O)C=Cc1ccc(=O)[nH]c1 271570a_200011019289_100000212171 [0,0,0,0,0,2|1,0,1]=4 779 B12R1.21 CC(O)COc1ccc(=O)[nH]c1 34a_100000075641_100011218427 [0,0,0,0,0,2|1,0,1]=4 780 B12R1.21 CC(O)CSc1ccc(=O)[nH]c1 62a_100000212171_100011218427 [0,0,0,0,0,2|1,0,1]=4 781 B12R1.21 CC(O)CSc1ccc(=O)[nH]c1 62a_100011218427_100000212171 [0,0,0,0,0,2|1,0,1]=4 782 B12R1.21 C[C@@H](O)COc1ccc(=O)[nH]c1 34a_100000075641_100009817552 [0,0,0,0,0,2|1,0,1]=4 783 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]c1 62a_100000212171_100009817552 [0,0,0,0,0,2|1,0,1]=4 784 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]c1 62a_100009817552_100000212171 [0,0,0,0,0,2|1,0,1]=4 785 B12R1.21 NC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000187820 [0,0,0,0,0,2|1,0,0]=3 786 B12R1.21 NC(=O)CSc1ccc(=O)[nH]c1 62a_100000212171_100000747473 [0,0,0,0,0,2|1,0,0]=3 787 B12R1.21 NC(=O)CSc1ccc(=O)[nH]c1 62a_100000747473_100000212171 [0,0,0,0,0,2|1,0,0]=3 788 B12R1.21 NC(=O)CSc1ccc(=O)[nH]n1 62a_100000747473_100009820020 [0,0,0,0,0,2|2,0,0]=4 789 B12R1.21 NC(=O)CSc1ccc(=O)[nH]n1 62a_100009820020_100000747473 [0,0,0,0,0,2|2,0,0]=4 790 B12R1.21 NC(=O)CSc1cnc(=O)[nH]c1 62a_100000747473_102495366499 [0,0,0,0,0,2|2,0,0]=4 791 B12R1.21 NC(=O)CSc1cnc(=O)[nH]c1 62a_102495366499_100000747473 [0,0,0,0,0,2|2,0,0]=4 792 B12R1.21 O=C([O-])COc1ccc(=O)[nH]c1 34a_100000075641_100020667443 [0,0,0,0,0,2|0,0,1]=3 793 B12R1.21 O=C([O-])CSc1ccc(=O)[nH]c1 62a_100000212171_100020667443 [0,0,0,0,0,2|0,0,1]=3 794 B12R1.21 O=C([O-])CSc1ccc(=O)[nH]c1 62a_100020667443_100000212171 [0,0,0,0,0,2|0,0,1]=3 795 B12R1.21 O=C([O-])CSc1ccc(=O)[nH]n1 62a_100009820020_100020667443 [0,0,0,0,0,2|1,0,1]=4 796 B12R1.21 O=C([O-])CSc1ccc(=O)[nH]n1 62a_100020667443_100009820020 [0,0,0,0,0,2|1,0,1]=4 797 B12R1.21 O=C([O-])CSc1cnc(=O)[nH]c1 62a_100020667443_102495366499 [0,0,0,0,0,2|1,0,1]=4 798 B12R1.21 O=C([O-])CSc1cnc(=O)[nH]c1 62a_102495366499_100020667443 [0,0,0,0,0,2|1,0,1]=4 799 B12R1.21 O=c1ccc(c[nH]1)OC[N+](=O)[O-] 34a_100000075641_100000761209 [0,0,0,0,0,2|1,0,1]=4 800 B12R1.21 O=c1ccc(c[nH]1)SC[N+](=O)[O-] 62a_100000212171_100000761209 [0,0,0,0,0,2|1,0,1]=4 801 B12R1.21 [13CH3]C(=O)CCc1ccc(=O)[nH]n1 1458a_200015201340_200025704644 [0,0,0,0,0,2|2,0,0]=4