0 B10R1.113 C=C(C)c1cc(ccn1)N 271570a_100000694244_100009814236 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.113 C=C(C)c1ccnc(c1)N 271570a_100000694244_100000744379 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.113 C=C(C)c1cncc(c1)N 271570a_100000694244_100000687067 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.113 CC(O)c1cc(ccn1)O 271570a_203496583355_100000144657 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.113 CC(O)c1cncc(c1)O 271570a_203496583355_100012351597 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.113 CN(C)c1cccc(c1)Br 2230a_100000219648_200000210301 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.113 CN(C)c1cccc(c1)Br 269982a_100000219648_200000210301 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.113 CN(C)c1cccc(c1)Br 34a_100000219648_200000210301 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.113 CN(C)c1cccc(c1)Cl 2230a_100000220044_200000210301 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.113 CN(C)c1cccc(c1)Cl 269982a_100000220044_200000210301 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.113 CN(C)c1cccc(c1)Cl 34a_100000220044_200000210301 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.113 CN(C)c1cccc(c1)F 2230a_100020633736_200000210301 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.113 CN(C)c1cccc(c1)F 269982a_100020633736_200000210301 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.113 CN(C)c1cccc(c1)F 34a_100020633736_200000210301 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.113 CN(C)c1cccc(c1)I 2230a_100000221217_200000210301 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.113 CN(C)c1cccc(c1)I 269982a_100000221217_200000210301 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.113 CN(C)c1cccc(c1)I 34a_100000221217_200000210301 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.113 CN([13CH3])c1cccc(c1)Br 2230a_100000219648_200025704644 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.113 CN([13CH3])c1cccc(c1)Br 269982a_100000219648_200025704644 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.113 CN([13CH3])c1cccc(c1)Br 34a_100000219648_200025704644 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.113 CN([13CH3])c1cccc(c1)Cl 2230a_100000220044_200025704644 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.113 CN([13CH3])c1cccc(c1)Cl 269982a_100000220044_200025704644 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.113 CN([13CH3])c1cccc(c1)Cl 34a_100000220044_200025704644 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.113 CN([13CH3])c1cccc(c1)F 2230a_100020633736_200025704644 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.113 CN([13CH3])c1cccc(c1)F 269982a_100020633736_200025704644 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.113 CN([13CH3])c1cccc(c1)F 34a_100020633736_200025704644 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.113 CN([13CH3])c1cccc(c1)I 2230a_100000221217_200025704644 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.113 CN([13CH3])c1cccc(c1)I 269982a_100000221217_200025704644 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.113 CN([13CH3])c1cccc(c1)I 34a_100000221217_200025704644 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [0,0,0,0,0,0|1,0,0]=1 66 B10R1.113 OB(O)c1cccc(n1)O 271570a_203496583355_100000117343 [0,0,0,0,0,0|2,0,0]=2 67 B10R1.113 OB(O)c1ccnc(c1)O 271570a_203496583355_100000049459 [0,0,0,0,0,0|2,0,0]=2 68 B10R1.113 OB(O)c1cncc(c1)O 271570a_203496583355_200009814628 [0,0,0,0,0,0|2,0,0]=2 69 B10R1.113 Oc1cccc(c1)C(F)F 271570a_203496583355_100009892619 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,0,0,0,0,0|3,0,1]=4 71 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,0,0,0,0,0|3,0,1]=4 72 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,0,0,0,0,0|3,0,1]=4 73 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,0,0,0,0,0|3,0,1]=4 74 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,0,0,0,0,0|3,0,1]=4 75 B9R1.2 C=Cc1cc(ccn1)N 271570a_100011290941_100009814236 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.2 C=Cc1cccc(n1)N 271570a_100011290941_100000740741 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.2 C=Cc1ccnc(c1)N 271570a_100011290941_100000744379 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.2 C=Cc1cncc(c1)N 271570a_100011290941_100000687067 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.2 CNc1cccc(c1)Br 34a_100000210019_200000210301 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.2 CNc1cccc(c1)Cl 34a_100000185859_200000210301 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.2 CNc1cccc(c1)F 34a_100000210047_200000210301 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.2 CNc1cccc(c1)I 34a_100000211102_200000210301 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.2 COc1cccc(c1)Br 34a_100000210342_200000210301 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.2 COc1cccc(c1)Br 7a_100000210342_200000210301 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.2 COc1cccc(c1)Cl 34a_100000210295_200000210301 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.2 COc1cccc(c1)Cl 7a_100000210295_200000210301 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.2 COc1cccc(c1)F 34a_100000210426_200000210301 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.2 COc1cccc(c1)F 7a_100000210426_200000210301 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.2 COc1cccc(c1)I 34a_100000211634_200000210301 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.2 COc1cccc(c1)I 7a_100000211634_200000210301 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.2 COc1ccnc(c1)N 34a_100011834064_200000210301 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.2 COc1cncc(c1)N 34a_100011997051_200000210301 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.2 CSc1cc(ccn1)N 62a_100009814236_200000210301 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.2 CSc1cc(ccn1)N 62a_200000210301_100009814236 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.2 CSc1cccc(n1)N 62a_100000740741_200000210301 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.2 CSc1cccc(n1)N 62a_200000210301_100000740741 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.2 CSc1ccnc(c1)N 62a_100000049665_200000210301 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.2 CSc1ccnc(c1)N 62a_200000210301_100000049665 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.2 CSc1cncc(c1)N 62a_100000687067_200000210301 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.2 CSc1cncc(c1)N 62a_200000210301_100000687067 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.2 N#Cc1cccc(c1)O 271570a_203496583355_100000189340 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.2 NNc1cccc(c1)O 271570a_203496583355_100000217339 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [1,0,0,0,0,0|2,0,1]=4 141 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.2 OCc1cccc(n1)O 271570a_203496583355_100000694195 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.2 OCc1ccnc(c1)O 271570a_203496583355_100009814636 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.2 OCc1cncc(c1)O 271570a_203496583355_100011259137 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.2 [13CH3]Oc1cccc(c1)Br 34a_100000210342_200025704644 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.2 [13CH3]Oc1cccc(c1)Br 7a_100000210342_200025704644 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.2 [13CH3]Oc1cccc(c1)Cl 34a_100000210295_200025704644 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.2 [13CH3]Oc1cccc(c1)Cl 7a_100000210295_200025704644 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.2 [13CH3]Oc1cccc(c1)F 34a_100000210426_200025704644 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.2 [13CH3]Oc1cccc(c1)F 7a_100000210426_200025704644 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.2 [13CH3]Oc1cccc(c1)I 34a_100000211634_200025704644 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.2 [13CH3]Oc1cccc(c1)I 7a_100000211634_200025704644 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.2 [13CH3]Oc1ccnc(c1)N 34a_100011834064_200025704644 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.2 [13CH3]Oc1cncc(c1)N 34a_100011997051_200025704644 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_100009814236_200025704644 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_200025704644_100009814236 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_100000740741_200025704644 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_200025704644_100000740741 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.2 [13CH3]Sc1ccnc(c1)N 62a_100000049665_200025704644 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.2 [13CH3]Sc1ccnc(c1)N 62a_200025704644_100000049665 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.2 [13CH3]Sc1cncc(c1)N 62a_100000687067_200025704644 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.2 [13CH3]Sc1cncc(c1)N 62a_200025704644_100000687067 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,0|2,0,1]=4 191 B11R1.21 C=C(C)c1ccc(c(c1)N)Br 271570a_100000694244_100000750456 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.21 C=C(C)c1ccc(c(c1)N)C 271570a_100000694244_100000761890 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.21 C=C(C)c1ccc(c(c1)N)Cl 271570a_100000694244_200000761891 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.21 C=C(C)c1ccc(c(c1)N)F 271570a_100000694244_100000740924 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.21 C=C(C)c1ccc(c(c1)N)N 271570a_100000694244_100000741789 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.21 CC(O)c1ccc(c(c1)O)F 271570a_203496583355_100011191524 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.21 Cc1cc(cnc1O)B(O)O 271570a_203496583355_100000061933 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.21 Cc1ccc(cc1O)B(O)O 271570a_203496583355_200010223333 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.21 Cc1ncc(cc1O)B(O)O 271570a_203496583355_200010710928 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.21 Nc1cc(cnc1O)B(O)O 271570a_203496583355_100009878943 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.21 Nc1ncc(cc1O)B(O)O 271570a_203496583355_200010710923 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.21 OB(O)c1ccc(c(c1)F)O 271570a_203496583355_100009813512 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.21 OB(O)c1ccc(c(c1)O)F 271570a_203496583355_100010175509 [0,1,0,0,0,0|1,0,0]=2 207 B11R1.21 OB(O)c1cnc(c(c1)F)O 271570a_203496583355_100000117163 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [0,1,0,0,0,0|2,0,0]=3 215 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.74 C=C(C)c1cc(cc(c1)Br)N 271570a_100000694244_100009814763 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.74 C=C(C)c1cc(cc(c1)Cl)N 271570a_100000694244_100010147676 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.74 C=C(C)c1cc(cc(c1)F)N 271570a_100000694244_100011356972 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.74 C=C(C)c1cc(cc(c1)N)C 271570a_100000694244_100000695972 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.74 C=C(C)c1cc(cc(c1)N)N 271570a_100000694244_100011999608 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.74 CC(C)c1cc(cc(c1)O)N 271570a_203496583355_100010369243 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.74 Cc1cc(cc(c1)B(O)O)O 271570a_203496583355_100009814731 [0,1,0,0,0,0|1,0,0]=2 242 B11R1.74 OB(O)c1cc(cc(c1)F)O 271570a_203496583355_100009814746 [0,1,0,0,0,0|1,0,0]=2 243 B11R1.74 OB(O)c1cc(cc(c1)O)O 271570a_203496583355_100010062373 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.74 OB(O)c1cc(nc(c1)F)O 271570a_203496583355_100009887747 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.155 CC(C)(O)c1cccc(c1)O 271570a_203496583355_100011346009 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.159 C=C(C)c1cccc(c1C)N 271570a_100000694244_100000761887 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.159 C=C(C)c1cccc(c1F)N 271570a_100000694244_100011935091 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.159 C=C(C)c1cccc(c1N)N 271570a_100000694244_100015191791 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.159 C=C(C)c1cccc(c1O)N 271570a_100000694244_100011934915 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.159 CC(O)c1cccc(c1F)O 271570a_203496583355_200012356376 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.159 Cc1c(cccc1B(O)O)O 271570a_203496583355_100000724322 [0,1,0,0,0,0|1,0,0]=2 252 B11R1.159 OB(O)c1cccc(c1F)O 271570a_203496583355_100011934463 [0,1,0,0,0,0|1,0,0]=2 253 B11R1.159 OB(O)c1ccnc(c1F)O 271570a_203496583355_200010157539 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.167 C=C(C)c1cc(ccc1Br)N 271570a_100000694244_100000750459 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.167 C=C(C)c1cc(ccc1C)N 271570a_100000694244_100000736455 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.167 C=C(C)c1cc(ccc1Cl)N 271570a_100000694244_100012360549 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.167 C=C(C)c1cc(ccc1F)N 271570a_100000694244_100000760356 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.167 C=C(C)c1cc(ccc1N)N 271570a_100000694244_100011534242 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.167 C=C(C)c1cc(ccc1O)N 271570a_100000694244_100011534360 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.167 CC(O)c1cc(ccc1F)O 271570a_203496583355_100011943926 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.167 C[C@H](O)c1cc(ccc1O)F 271570a_203496583355_100134768474 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.167 Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_200010883979 [0,1,0,0,0,0|1,0,0]=2 264 B11R1.167 Cc1ccc(cc1B(O)O)O 271570a_203496583355_100010223188 [0,1,0,0,0,0|1,0,0]=2 265 B11R1.167 Cc1cnc(c(c1)B(O)O)O 271570a_203496583355_200000049436 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.167 NC(=O)c1cc(ccc1O)N 271570a_203496583355_100015186447 [0,1,0,0,0,0|2,0,1]=4 267 B11R1.167 OB(O)c1cc(ccc1Br)O 271570a_203496583355_200010171685 [0,1,0,0,0,0|1,0,0]=2 268 B11R1.167 OB(O)c1cc(ccc1F)O 271570a_203496583355_100011356809 [0,1,0,0,0,0|1,0,0]=2 269 B11R1.167 OB(O)c1cc(ccc1O)F 271570a_203496583355_200009816908 [0,1,0,0,0,0|1,0,0]=2 270 B11R1.167 OB(O)c1cc(ccc1O)O 271570a_203496583355_200009814749 [0,1,0,0,0,0|1,0,0]=2 271 B11R1.167 OB(O)c1cc(cnc1F)O 271570a_203496583355_100009814310 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.266 C=C(C)c1cccc(c1)CN 271570a_100000694244_100000106179 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.266 C=C(C)c1cccc(c1)NC 271570a_100000694244_100000219648 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.266 C=C(C)c1cccc(c1)NN 271570a_100000694244_100000217339 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.266 C=Cc1cc(ccn1)B(O)O 271570a_100011290941_100000049459 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.266 C=Cc1cccc(c1)B(O)O 271570a_100011290941_100000687717 [0,1,0,0,0,0|1,0,0]=2 277 B11R1.266 C=Cc1cccc(c1)C(C)O 271570a_100011290941_100000246457 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.266 C=Cc1cccc(n1)B(O)O 271570a_100011290941_100000117343 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.266 C=Cc1cncc(c1)B(O)O 271570a_100011290941_200009814628 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 2230a_100000211879_200025704644 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 34a_100000211879_200025704644 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 7a_100000211879_200025704644 [0,1,0,0,0,0|3,0,0]=4 283 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 2230a_100011217120_200025704644 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 34a_100011217120_200025704644 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 34a_100000748013_200025704644 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 7a_100000748013_200025704644 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_100000246457_200025704644 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_200025704644_100000246457 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.266 CN(C)c1cccc(c1)N[13CH3] 34a_100000209982_200025704644 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.266 CNc1cccc(c1)C(C)C 2230a_100000211879_200000210301 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.266 CNc1cccc(c1)C(C)C 34a_100000211879_200000210301 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.266 CNc1cccc(c1)C(C)C 7a_100000211879_200000210301 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.266 CNc1cccc(c1)C(C)O 2230a_100011217120_200000210301 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.266 CNc1cccc(c1)C(C)O 34a_100011217120_200000210301 [0,1,0,0,0,0|2,0,0]=3 296 B11R1.266 CNc1cccc(c1)C(F)F 2230a_100000058342_200000210301 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.266 CNc1cccc(c1)C(F)F 34a_100000058342_200000210301 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.266 CNc1cccc(c1)C(F)F 7a_100000058342_200000210301 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.266 CNc1cccc(c1)N(C)C 34a_100000209982_200000210301 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.266 CNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200000210301 [0,1,0,0,0,0|1,0,2]=4 301 B11R1.266 CNc1cccc(n1)C(C)O 27a_100102657272_100009820884 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.266 CNc1ccnc(c1)C(C)O 27a_100102657272_100000144657 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.266 COc1cccc(c1)C(C)O 34a_100000748013_200000210301 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.266 COc1cccc(c1)C(C)O 7a_100000748013_200000210301 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.266 CSc1cc(ccn1)B(O)O 62a_100000049459_200000210301 [0,1,0,0,0,0|2,0,0]=3 306 B11R1.266 CSc1cc(ccn1)B(O)O 62a_200000210301_100000049459 [0,1,0,0,0,0|2,0,0]=3 307 B11R1.266 CSc1cccc(c1)B(O)O 62a_100000687717_200000210301 [0,1,0,0,0,0|1,0,0]=2 308 B11R1.266 CSc1cccc(c1)B(O)O 62a_200000210301_100000687717 [0,1,0,0,0,0|1,0,0]=2 309 B11R1.266 CSc1cccc(c1)C(C)O 62a_100000246457_200000210301 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.266 CSc1cccc(c1)C(C)O 62a_200000210301_100000246457 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.266 CSc1cccc(n1)B(O)O 62a_100000117343_200000210301 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.266 CSc1cccc(n1)B(O)O 62a_200000210301_100000117343 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.266 CSc1cncc(c1)B(O)O 62a_200000210301_200009814628 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.266 CSc1cncc(c1)B(O)O 62a_200009814628_200000210301 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [0,1,0,0,0,0|2,0,1]=4 316 B11R1.266 [13CH3]Nc1cccc(c1)C(F)F 2230a_100000058342_200025704644 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.266 [13CH3]Nc1cccc(c1)C(F)F 34a_100000058342_200025704644 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.266 [13CH3]Nc1cccc(c1)C(F)F 7a_100000058342_200025704644 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.266 [13CH3]Nc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200025704644 [0,1,0,0,0,0|1,0,2]=4 320 B11R1.266 [13CH3]Sc1cc(ccn1)B(O)O 62a_100000049459_200025704644 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.266 [13CH3]Sc1cc(ccn1)B(O)O 62a_200025704644_100000049459 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_100000687717_200025704644 [0,1,0,0,0,0|1,0,0]=2 323 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_200025704644_100000687717 [0,1,0,0,0,0|1,0,0]=2 324 B11R1.266 [13CH3]Sc1cccc(n1)B(O)O 62a_100000117343_200025704644 [0,1,0,0,0,0|2,0,0]=3 325 B11R1.266 [13CH3]Sc1cccc(n1)B(O)O 62a_200025704644_100000117343 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.266 [13CH3]Sc1cncc(c1)B(O)O 62a_200009814628_200025704644 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.266 [13CH3]Sc1cncc(c1)B(O)O 62a_200025704644_200009814628 [0,1,0,0,0,0|2,0,0]=3 328 B11R2.35 Nc1cccc(c1)C2CC2 271570a_100011220607_100000210019 [0,0,0,1,0,0|3,0,0]=4 329 B9R1.35 OB(O)c1ccc(s1)O 271570a_203496583355_100009813780 [0,0,0,0,1,0|2,0,0]=3 330 B11R1.157 CC(=Cc1cccc(c1)N)C 271570a_100102525489_100000210019 [0,0,0,0,0,1|3,0,0]=4 331 B11R1.157 CC(C)Oc1cccc(c1)N 34a_100000210217_100000210206 [0,0,0,0,0,1|3,0,0]=4 332 B11R1.157 CC(C)Sc1cccc(c1)N 62a_100000210019_100000210206 [0,0,0,0,0,1|3,0,0]=4 333 B11R1.157 CC(C)Sc1cccc(c1)N 62a_100000210206_100000210019 [0,0,0,0,0,1|3,0,0]=4 334 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|2,0,0]=4 335 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|2,0,0]=4 337 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|2,0,0]=4 343 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.4 C[n+]1cccc(c1)O 271570a_203496583355_100009996589 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.4 Cc1cc(ccn1)O 271570a_203496583355_100000758586 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [2,0,0,0,0,0|1,0,0]=3 348 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.4 Cc1ccnc(c1)O 271570a_203496583355_100000750283 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.4 Cc1cncc(c1)O 271570a_203496583355_100000760492 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.4 Nc1cc(ccn1)O 271570a_203496583355_100000744379 [2,0,0,0,0,0|1,0,0]=3 352 B8R1.4 Nc1cc(cnn1)O 271570a_203496583355_100000130277 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.4 Nc1cc(ncn1)O 271570a_203496583355_100000701291 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.4 Nc1cccc(c1)O 271570a_203496583355_100000210019 [2,0,0,0,0,0|0,0,0]=2 355 B8R1.4 Nc1cccc(n1)O 271570a_203496583355_100000740741 [2,0,0,0,0,0|1,0,0]=3 356 B8R1.4 Nc1ccnc(c1)O 271570a_203496583355_100009814236 [2,0,0,0,0,0|1,0,0]=3 357 B8R1.4 Nc1ccnc(n1)O 271570a_203496583355_100000757536 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.4 Nc1cncc(c1)O 271570a_203496583355_100000687067 [2,0,0,0,0,0|1,0,0]=3 359 B8R1.4 Nc1cncc(n1)O 271570a_203496583355_100009819714 [2,0,0,0,0,0|2,0,0]=4 360 B8R1.4 Nc1nccc(n1)O 271570a_203496583355_100009820717 [2,0,0,0,0,0|2,0,0]=4 361 B8R1.4 O=c1cc(cc[nH]1)O 271570a_203496583355_100009816521 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.4 O=c1cccc([nH]1)O 271570a_203496583355_100000761760 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.4 Oc1cc(ccn1)Cl 271570a_203496583355_100010167805 [2,0,0,0,0,0|2,0,0]=4 364 B8R1.4 Oc1cc(ccn1)F 271570a_203496583355_100009817058 [2,0,0,0,0,0|2,0,0]=4 365 B8R1.4 Oc1cccc(c1)Br 271570a_203496583355_100000691529 [2,0,0,0,0,0|1,0,0]=3 366 B8R1.4 Oc1cccc(c1)Cl 271570a_203496583355_100000699651 [2,0,0,0,0,0|1,0,0]=3 367 B8R1.4 Oc1cccc(c1)F 271570a_203496583355_100000685547 [2,0,0,0,0,0|1,0,0]=3 368 B8R1.4 Oc1cccc(c1)O 271570a_203496583355_100000211634 [2,0,0,0,0,0|1,0,0]=3 369 B8R1.4 Oc1cccc(c1)[S] 271570a_203496583355_114929384022 [2,0,0,0,0,0|1,0,0]=3 370 B8R1.4 Oc1cccc(n1)Br 271570a_203496583355_100000684672 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.4 Oc1cccc(n1)F 271570a_203496583355_100009815982 [2,0,0,0,0,0|2,0,0]=4 372 B8R1.4 Oc1ccnc(c1)Br 271570a_203496583355_100009814637 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.4 Oc1ccnc(c1)Cl 271570a_203496583355_100000035001 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.4 Oc1ccnc(c1)F 271570a_203496583355_100009816116 [2,0,0,0,0,0|2,0,0]=4 375 B8R1.4 Oc1ccnc(c1)O 271570a_203496583355_100000762945 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.4 Oc1cncc(c1)Br 271570a_203496583355_100000728054 [2,0,0,0,0,0|2,0,0]=4 377 B8R1.4 Oc1cncc(c1)Cl 271570a_203496583355_100000049639 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.4 Oc1cncc(c1)F 271570a_203496583355_100000744099 [2,0,0,0,0,0|2,0,0]=4 379 B8R1.4 Oc1cncc(c1)O 271570a_203496583355_100000754920 [2,0,0,0,0,0|2,0,0]=4 380 B8R1.4 [O-][n+]1cccc(c1)O 271570a_203496583355_100009815978 [2,0,0,0,0,0|2,0,0]=4 381 B10R1.2 C=Cc1cccc(c1C)N 271570a_100011290941_100000761887 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.2 C=Cc1cccc(c1F)N 271570a_100011290941_100011935091 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.2 C=Cc1cccc(c1N)N 271570a_100011290941_100015191791 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.2 C=Cc1cccc(c1O)N 271570a_100011290941_100011934915 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.2 COc1cccc(c1Br)N 34a_100012183704_200000210301 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.2 COc1cccc(c1Br)N 7a_100012183704_200000210301 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.2 COc1cccc(c1C)N 34a_100011216573_200000210301 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.2 COc1cccc(c1C)N 7a_100011216573_200000210301 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.2 COc1cccc(c1Cl)N 34a_100012002038_200000210301 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.2 COc1cccc(c1Cl)N 7a_100012002038_200000210301 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.2 COc1cccc(c1N)N 34a_100000033209_200000210301 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.2 COc1cccc(c1O)N 271570a_203496583355_100000703447 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.2 CSc1cccc(c1C)N 62a_100000761887_200000210301 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.2 CSc1cccc(c1C)N 62a_200000210301_100000761887 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.2 CSc1cccc(c1F)N 62a_100011935091_200000210301 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.2 CSc1cccc(c1F)N 62a_200000210301_100011935091 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.2 CSc1cccc(c1N)N 62a_100015191791_200000210301 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.2 CSc1cccc(c1O)N 62a_100011934915_200000210301 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.2 CSc1cccc(c1O)N 62a_200000210301_100010084371 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.2 Cc1c(cccc1CO)O 271570a_203496583355_100000694458 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.2 Cc1c(cccc1O[13CH3])N 34a_100011216573_200025704644 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.2 Cc1c(cccc1O[13CH3])N 7a_100011216573_200025704644 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.2 Cc1c(cccc1S[13CH3])N 62a_100000761887_200025704644 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.2 Cc1c(cccc1S[13CH3])N 62a_200025704644_100000761887 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.2 Cc1cccc(c1O)CO 271570a_203496583355_100011659289 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.2 N#Cc1cccc(c1O)N 271570a_203496583355_100009877206 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.2 Nc1c(cccc1CO)O 271570a_203496583355_100012349457 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.2 OCc1cccc(c1Br)O 271570a_203496583355_100010240205 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.2 OCc1cccc(c1F)O 271570a_203496583355_100011935076 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.2 OCc1cccc(c1O)Br 271570a_203496583355_100010146604 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.2 OCc1cccc(c1O)F 271570a_203496583355_100000692438 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.2 [13CH3]Oc1cccc(c1Br)N 34a_100012183704_200025704644 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.2 [13CH3]Oc1cccc(c1Br)N 7a_100012183704_200025704644 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.2 [13CH3]Oc1cccc(c1Cl)N 34a_100012002038_200025704644 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.2 [13CH3]Oc1cccc(c1Cl)N 7a_100012002038_200025704644 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.2 [13CH3]Oc1cccc(c1N)N 34a_100000033209_200025704644 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.2 [13CH3]Sc1cccc(c1F)N 62a_100011935091_200025704644 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.2 [13CH3]Sc1cccc(c1F)N 62a_200025704644_100011935091 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.2 [13CH3]Sc1cccc(c1N)N 62a_100015191791_200025704644 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.2 [13CH3]Sc1cccc(c1O)N 62a_100011934915_200025704644 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.2 [13CH3]Sc1cccc(c1O)N 62a_200025704644_100010084371 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.8 C=Cc1cc(cc(c1)Br)N 271570a_100011290941_100009814763 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.8 C=Cc1cc(cc(c1)Cl)N 271570a_100011290941_100010147676 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.8 C=Cc1cc(cc(c1)F)N 271570a_100011290941_100011356972 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.8 C=Cc1cc(cc(c1)N)C 271570a_100011290941_100000695972 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.8 C=Cc1cc(cc(c1)N)N 271570a_100011290941_100011999608 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.8 CCc1cc(cc(c1)O)N 271570a_203496583355_100010074814 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.8 COc1cc(cc(c1)Cl)N 34a_100000123917_200000210301 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.8 COc1cc(cc(c1)Cl)N 7a_100000123917_200000210301 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.8 COc1cc(cc(c1)N)C 34a_100011995906_200000210301 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.8 COc1cc(cc(c1)N)C 7a_100011995906_200000210301 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.8 COc1cc(cc(c1)O)N 271570a_203496583355_100000750983 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.8 CSc1cc(cc(c1)Br)N 62a_100009814763_200000210301 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.8 CSc1cc(cc(c1)Br)N 62a_200000210301_100009814763 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.8 CSc1cc(cc(c1)Cl)N 62a_100010147676_200000210301 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.8 CSc1cc(cc(c1)Cl)N 62a_200000210301_100010147676 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.8 CSc1cc(cc(c1)F)N 62a_100011356972_200000210301 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.8 CSc1cc(cc(c1)F)N 62a_200000210301_100011356972 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.8 CSc1cc(cc(c1)N)C 62a_100000695972_200000210301 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.8 CSc1cc(cc(c1)N)C 62a_200000210301_100000695972 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.8 CSc1cc(cc(c1)N)N 62a_100011999608_200000210301 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.8 CSc1cc(cc(c1)N)N 62a_200000210301_100011999608 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.8 Cc1cc(cc(c1)CO)O 271570a_203496583355_100000720511 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.8 Cc1cc(cc(c1)O[13CH3])N 34a_100011995906_200025704644 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.8 Cc1cc(cc(c1)O[13CH3])N 7a_100011995906_200025704644 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.8 Cc1cc(cc(c1)S[13CH3])N 62a_100000695972_200025704644 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.8 Cc1cc(cc(c1)S[13CH3])N 62a_200025704644_100000695972 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.8 N#Cc1cc(cc(c1)O)N 271570a_203496583355_100012002331 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.8 OCc1cc(cc(c1)Br)O 271570a_203496583355_100009814756 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.8 OCc1cc(cc(c1)F)O 271570a_203496583355_100000766897 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.8 [13CH3]Oc1cc(cc(c1)Cl)N 34a_100000123917_200025704644 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.8 [13CH3]Oc1cc(cc(c1)Cl)N 7a_100000123917_200025704644 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)N 62a_100009814763_200025704644 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)N 62a_200025704644_100009814763 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)N 62a_100010147676_200025704644 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)N 62a_200025704644_100010147676 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.8 [13CH3]Sc1cc(cc(c1)F)N 62a_100011356972_200025704644 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.8 [13CH3]Sc1cc(cc(c1)F)N 62a_200025704644_100011356972 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.8 [13CH3]Sc1cc(cc(c1)N)N 62a_100011999608_200025704644 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.8 [13CH3]Sc1cc(cc(c1)N)N 62a_200025704644_100011999608 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.10 C=C=Cc1cccc(c1)N 271570a_100015277604_100000210019 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.10 CCOc1cccc(c1)N 34a_100000210217_100000210202 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.10 CCSc1cccc(c1)N 62a_100000210019_100000210202 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.10 CCSc1cccc(c1)N 62a_100000210202_100000210019 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.10 COCc1cc(ccn1)N 34a_100000692640_200000210301 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.10 COCc1cncc(c1)N 34a_100000085308_200000210301 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.10 Nc1cccc(c1)OCF 34a_100000210217_100015361967 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.10 Nc1cccc(c1)SCF 62a_100000210019_100015361967 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.10 Nc1cccc(c1)SCF 62a_100015361967_100000210019 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.10 [13CH3]OCc1cc(ccn1)N 34a_100000692640_200025704644 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.10 [13CH3]OCc1cncc(c1)N 34a_100000085308_200025704644 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.30 C=Cc1cc(ccc1Br)N 271570a_100011290941_100000750459 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.30 C=Cc1cc(ccc1C)N 271570a_100011290941_100000736455 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.30 C=Cc1cc(ccc1Cl)N 271570a_100011290941_100012360549 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.30 C=Cc1cc(ccc1F)N 271570a_100011290941_100000760356 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.30 C=Cc1cc(ccc1N)N 271570a_100011290941_100011534242 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.30 C=Cc1cc(ccc1O)N 271570a_100011290941_100011534360 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.30 COc1cc(ccc1C)N 34a_100000759471_200000210301 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.30 COc1cc(ccc1C)N 7a_100000759471_200000210301 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.30 COc1cc(ccc1Cl)N 34a_100011934209_200000210301 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.30 COc1cc(ccc1F)N 34a_100012017398_200000210301 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.30 COc1cc(ccc1F)N 7a_100012017398_200000210301 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.30 COc1cc(ccc1N)N 34a_100025717382_200000210301 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.30 CSc1cc(ccc1Br)N 62a_100000750459_200000210301 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.30 CSc1cc(ccc1Br)N 62a_200000210301_100000750459 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.30 CSc1cc(ccc1C)N 62a_100000736455_200000210301 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.30 CSc1cc(ccc1C)N 62a_200000210301_100000736455 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.30 CSc1cc(ccc1Cl)N 62a_100012360549_200000210301 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.30 CSc1cc(ccc1Cl)N 62a_200000210301_100012360549 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.30 CSc1cc(ccc1F)N 62a_100000760356_200000210301 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.30 CSc1cc(ccc1F)N 62a_200000210301_100000760356 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.30 CSc1cc(ccc1N)N 62a_100011534242_200000210301 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.30 CSc1cc(ccc1N)N 62a_200000210301_100011534242 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.30 CSc1cc(ccc1O)N 62a_100011534360_200000210301 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.30 CSc1cc(ccc1O)N 62a_200000210301_100011534360 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.30 Cc1ccc(c(c1)CO)O 271570a_203496583355_100012361352 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.30 Cc1ccc(cc1CO)O 271570a_203496583355_100000700630 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.30 Cc1ccc(cc1O[13CH3])N 34a_100000759471_200025704644 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.30 Cc1ccc(cc1O[13CH3])N 7a_100000759471_200025704644 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_100000736455_200025704644 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_200025704644_100000736455 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.30 N#Cc1cc(ccc1O)N 271570a_203496583355_100011934039 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.30 Nc1ccc(c(c1)CO)O 271570a_203496583355_100012347228 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.30 Nc1ccc(cc1CO)O 271570a_203496583355_100012353972 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.30 OCc1cc(ccc1Br)O 271570a_203496583355_100012359683 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.30 OCc1cc(ccc1Cl)O 271570a_203496583355_100010128486 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.30 OCc1cc(ccc1F)O 271570a_203496583355_100000049604 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.30 OCc1cc(ccc1O)Br 271570a_203496583355_100011356890 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.30 OCc1cc(ccc1O)F 271570a_203496583355_100011217561 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100000184703 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100012351483 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.30 [13CH3]Oc1cc(ccc1Cl)N 34a_100011934209_200025704644 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.30 [13CH3]Oc1cc(ccc1F)N 34a_100012017398_200025704644 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.30 [13CH3]Oc1cc(ccc1F)N 7a_100012017398_200025704644 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.30 [13CH3]Oc1cc(ccc1N)N 34a_100025717382_200025704644 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_100000750459_200025704644 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_200025704644_100000750459 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_100012360549_200025704644 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_200025704644_100012360549 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_100000760356_200025704644 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_200025704644_100000760356 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_100011534242_200025704644 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_200025704644_100011534242 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_100011534360_200025704644 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_200025704644_100011534360 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.172 C#Cc1cccc(c1)NC 2230a_100000735509_200000210301 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.172 C#Cc1cccc(c1)NC 34a_100000735509_200000210301 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.172 C#Cc1cccc(c1)N[13CH3] 2230a_100000735509_200025704644 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.172 C#Cc1cccc(c1)N[13CH3] 34a_100000735509_200025704644 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.172 C=Cc1cccc(c1)CN 271570a_100011290941_100000106179 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.172 C=Cc1cccc(c1)NN 271570a_100011290941_100000217339 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.172 CCc1cccc(c1)NC 2230a_100000211250_200000210301 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.172 CCc1cccc(c1)NC 34a_100000211250_200000210301 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.172 CCc1cccc(c1)NC 7a_100000211250_200000210301 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.172 CCc1cccc(c1)N[13CH3] 2230a_100000211250_200025704644 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.172 CCc1cccc(c1)N[13CH3] 34a_100000211250_200025704644 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.172 CCc1cccc(c1)N[13CH3] 7a_100000211250_200025704644 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.172 CNc1cccc(c1)C#N 34a_100000210922_200000210301 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.172 CNc1cccc(c1)C#N 7a_100000210922_200000210301 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.172 CNc1cccc(c1)CF 2230a_100000126320_200000210301 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.172 CNc1cccc(c1)CF 34a_100000126320_200000210301 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.172 CNc1cccc(c1)CF 7a_100000126320_200000210301 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.172 CNc1cccc(c1)CO 2230a_100000211919_200000210301 [1,1,0,0,0,0|1,0,0]=3 581 B10R1.172 CNc1cccc(c1)CO 34a_100000211919_200000210301 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.172 CNc1cccc(c1)OC 34a_100000210024_200000210301 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.172 CNc1cccc(c1)OC 34a_100000756613_200000210301 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.172 CNc1cccc(c1)OC 7a_100000756613_200000210301 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.172 CNc1cccc(c1)O[13CH3] 34a_100000756613_200025704644 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.172 CNc1cccc(c1)O[13CH3] 7a_100000756613_200025704644 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.172 CNc1cccc(c1)SC 2230a_100000210049_200000210301 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.172 CNc1cccc(c1)SC 34a_100000210049_200000210301 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.172 CNc1cccc(c1)SC 62a_100000219648_200000210301 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.172 CNc1cccc(c1)SC 62a_200000210301_100000219648 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.172 CNc1cccc(c1)S[13CH3] 62a_100000219648_200025704644 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.172 CNc1cccc(c1)S[13CH3] 62a_200025704644_100000219648 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.172 CNc1ccnc(c1)CO 27a_100102657272_100000748867 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.172 COc1cccc(c1)CN 34a_100000743036_200000210301 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.172 COc1cccc(c1)CO 34a_100011214949_200000210301 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.172 COc1cccc(c1)CO 7a_100011214949_200000210301 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.172 COc1cccc(c1)N[13CH3] 34a_100000210024_200025704644 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.172 CSc1cccc(c1)CN 62a_100000106179_200000210301 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.172 CSc1cccc(c1)CN 62a_200000210301_100000106179 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.172 CSc1cccc(c1)CO 62a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.172 CSc1cccc(c1)CO 62a_200000210301_100000687537 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.172 CSc1cccc(c1)NN 62a_100000217339_200000210301 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.172 CSc1cccc(c1)NN 62a_200000210301_100000217339 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.172 CSc1cccc(c1)N[13CH3] 2230a_100000210049_200025704644 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.172 CSc1cccc(c1)N[13CH3] 34a_100000210049_200025704644 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.172 [13CH3]Nc1cccc(c1)C#N 34a_100000210922_200025704644 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.172 [13CH3]Nc1cccc(c1)C#N 7a_100000210922_200025704644 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.172 [13CH3]Nc1cccc(c1)CF 2230a_100000126320_200025704644 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.172 [13CH3]Nc1cccc(c1)CF 34a_100000126320_200025704644 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.172 [13CH3]Nc1cccc(c1)CF 7a_100000126320_200025704644 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.172 [13CH3]Nc1cccc(c1)CO 2230a_100000211919_200025704644 [1,1,0,0,0,0|1,0,0]=3 612 B10R1.172 [13CH3]Nc1cccc(c1)CO 34a_100000211919_200025704644 [1,1,0,0,0,0|1,0,0]=3 613 B10R1.172 [13CH3]Oc1cccc(c1)CN 34a_100000743036_200025704644 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.172 [13CH3]Oc1cccc(c1)CO 34a_100011214949_200025704644 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.172 [13CH3]Oc1cccc(c1)CO 7a_100011214949_200025704644 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.172 [13CH3]Sc1cccc(c1)CN 62a_100000106179_200025704644 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.172 [13CH3]Sc1cccc(c1)CN 62a_200025704644_100000106179 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_200025704644_100000687537 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.172 [13CH3]Sc1cccc(c1)NN 62a_100000217339_200025704644 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.172 [13CH3]Sc1cccc(c1)NN 62a_200025704644_100000217339 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.176 C=Cc1ccc(c(c1)N)Br 271570a_100011290941_100000750456 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.176 C=Cc1ccc(c(c1)N)C 271570a_100011290941_100000761890 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.176 C=Cc1ccc(c(c1)N)Cl 271570a_100011290941_200000761891 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.176 C=Cc1ccc(c(c1)N)F 271570a_100011290941_100000740924 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.176 C=Cc1ccc(c(c1)N)N 271570a_100011290941_100000741789 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.176 COc1ccc(c(c1)N)Br 34a_100011999798_200000210301 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.176 COc1ccc(c(c1)N)Br 7a_100011999798_200000210301 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.176 COc1ccc(c(c1)N)C 34a_100011216113_200000210301 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.176 COc1ccc(c(c1)N)C 7a_100011216113_200000210301 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.176 COc1ccc(c(c1)N)Cl 34a_100011934297_200000210301 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.176 COc1ccc(c(c1)N)F 34a_100012017239_200000210301 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.176 COc1ccc(c(c1)N)F 7a_100012017239_200000210301 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.176 COc1ccc(c(c1)N)N 34a_100025771000_200000210301 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.176 COc1ccc(c(c1)N)O 271570a_203496583355_100000748021 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.176 CSc1ccc(c(c1)N)Br 62a_100000750456_200000210301 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.176 CSc1ccc(c(c1)N)Br 62a_200000210301_100000750456 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.176 CSc1ccc(c(c1)N)C 62a_100000761890_200000210301 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.176 CSc1ccc(c(c1)N)C 62a_200000210301_100000761890 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.176 CSc1ccc(c(c1)N)Cl 62a_200000210301_200000761891 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.176 CSc1ccc(c(c1)N)Cl 62a_200000761891_200000210301 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.176 CSc1ccc(c(c1)N)F 62a_100000740924_200000210301 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.176 CSc1ccc(c(c1)N)F 62a_200000210301_100000740924 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.176 CSc1ccc(c(c1)N)N 62a_100000741789_200000210301 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.176 CSc1ccc(c(c1)N)N 62a_200000210301_100011534411 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.176 CSc1ccc(c(c1)N)O 62a_100000752626_200000210301 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.176 CSc1ccc(c(c1)N)O 62a_200000210301_100000752626 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.176 Cc1ccc(cc1N)O[13CH3] 34a_100011216113_200025704644 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.176 Cc1ccc(cc1N)O[13CH3] 7a_100011216113_200025704644 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.176 Cc1ccc(cc1N)S[13CH3] 62a_100000761890_200025704644 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.176 Cc1ccc(cc1N)S[13CH3] 62a_200025704644_100000761890 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.176 N#Cc1ccc(c(c1)N)O 271570a_203496583355_100012001879 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.176 Nc1cc(ccc1O)CO 271570a_203496583355_100012347568 [1,1,0,0,0,0|1,0,0]=3 657 B10R1.176 OCc1ccc(c(c1)Cl)O 271570a_203496583355_100000718186 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.176 OCc1ccc(c(c1)F)O 271570a_203496583355_100011533735 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.176 OCc1ccc(c(c1)O)F 271570a_203496583355_100000246287 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.176 [13CH3]Oc1ccc(c(c1)N)Br 34a_100011999798_200025704644 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.176 [13CH3]Oc1ccc(c(c1)N)Br 7a_100011999798_200025704644 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.176 [13CH3]Oc1ccc(c(c1)N)Cl 34a_100011934297_200025704644 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.176 [13CH3]Oc1ccc(c(c1)N)F 34a_100012017239_200025704644 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.176 [13CH3]Oc1ccc(c(c1)N)F 7a_100012017239_200025704644 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.176 [13CH3]Oc1ccc(c(c1)N)N 34a_100025771000_200025704644 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Br 62a_100000750456_200025704644 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Br 62a_200025704644_100000750456 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Cl 62a_200000761891_200025704644 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Cl 62a_200025704644_200000761891 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.176 [13CH3]Sc1ccc(c(c1)N)F 62a_100000740924_200025704644 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.176 [13CH3]Sc1ccc(c(c1)N)F 62a_200025704644_100000740924 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.176 [13CH3]Sc1ccc(c(c1)N)N 62a_100000741789_200025704644 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.176 [13CH3]Sc1ccc(c(c1)N)N 62a_200025704644_100011534411 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_100000752626_200025704644 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_200025704644_100000752626 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [1,1,0,0,0,0|0,0,0]=2 680 B10R1.13 OB(O)c1ccc(cn1)O 271570a_203496583355_200010198023 [1,1,0,0,0,0|1,0,0]=3 681 B10R1.13 OB(O)c1ccc(nc1)O 271570a_203496583355_100000688115 [1,1,0,0,0,0|1,0,0]=3 682 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [1,1,0,0,0,0|0,0,0]=2 689 B10R1.61 OB(O)c1cccnc1O 271570a_203496583355_100009815992 [1,1,0,0,0,0|1,0,0]=3 690 B10R1.61 OB(O)c1ccncc1O 271570a_203496583355_200010176179 [1,1,0,0,0,0|1,0,0]=3 691 B10R1.31 C=Cc1ccc(s1)B(O)O 271570a_100011290941_100009813780 [0,1,0,0,1,0|2,0,0]=4 692 B10R1.31 CSc1ccc(s1)B(O)O 62a_100009813780_200000210301 [0,1,0,0,1,0|2,0,0]=4 693 B10R1.31 CSc1ccc(s1)B(O)O 62a_200000210301_100009813780 [0,1,0,0,1,0|2,0,0]=4 694 B10R1.31 CSc1csc(c1)B(O)O 62a_100000765802_200000210301 [0,1,0,0,1,0|2,0,0]=4 695 B10R1.31 CSc1csc(c1)B(O)O 62a_200000210301_100000765802 [0,1,0,0,1,0|2,0,0]=4 696 B10R1.31 [13CH3]Sc1ccc(s1)B(O)O 62a_100009813780_200025704644 [0,1,0,0,1,0|2,0,0]=4 697 B10R1.31 [13CH3]Sc1ccc(s1)B(O)O 62a_200025704644_100009813780 [0,1,0,0,1,0|2,0,0]=4 698 B10R1.31 [13CH3]Sc1csc(c1)B(O)O 62a_100000765802_200025704644 [0,1,0,0,1,0|2,0,0]=4 699 B10R1.31 [13CH3]Sc1csc(c1)B(O)O 62a_200025704644_100000765802 [0,1,0,0,1,0|2,0,0]=4 700 B10R1.58 Cc1cc(sc1O)B(O)O 271570a_203496583355_200010167820 [0,1,0,0,1,0|2,0,0]=4 701 B10R1.58 Cc1sc(cc1O)B(O)O 271570a_203496583355_100010218474 [0,1,0,0,1,0|2,0,0]=4 702 B10R1.59 Cc1cc(c(s1)B(O)O)O 271570a_203496583355_200010138670 [0,1,0,0,1,0|2,0,0]=4 703 B10R1.39 CSc1cscc1B(O)O 62a_100011934533_200000210301 [0,1,0,0,1,0|2,0,0]=4 704 B10R1.39 CSc1cscc1B(O)O 62a_200000210301_100011934533 [0,1,0,0,1,0|2,0,0]=4 705 B10R1.39 [13CH3]Sc1cscc1B(O)O 62a_100011934533_200025704644 [0,1,0,0,1,0|2,0,0]=4 706 B10R1.39 [13CH3]Sc1cscc1B(O)O 62a_200025704644_100011934533 [0,1,0,0,1,0|2,0,0]=4 707 B12R1.50 CC(CO)Oc1cccc(c1)N 34a_100000210217_100012180447 [0,1,0,0,0,1|2,0,0]=4 708 B12R1.50 CC(CO)Sc1cccc(c1)N 62a_100012180447_100000210019 [0,1,0,0,0,1|2,0,0]=4 709 B12R1.50 COC(C)Sc1cccc(c1)N 62a_100000210019_100009879195 [0,1,0,0,0,1|2,0,0]=4 710 B12R1.50 COC(C)Sc1cccc(c1)N 62a_100009879195_100000210019 [0,1,0,0,0,1|2,0,0]=4 711 B12R1.50 C[C@H](CO)Sc1cccc(c1)N 62a_100000210019_100016084084 [0,1,0,0,0,1|2,0,0]=4 712 B12R1.50 C[C@H](CO)Sc1cccc(c1)N 62a_100016084084_100000210019 [0,1,0,0,0,1|2,0,0]=4 713 B12R1.48 C=Cc1ccc(cc1C)B(O)O 271570a_100011290941_100010089846 [0,2,0,0,0,0|1,0,0]=3 714 B12R1.48 C=Cc1ccc(cc1F)B(O)O 271570a_100011290941_100009813512 [0,2,0,0,0,0|1,0,0]=3 715 B12R1.48 C=Cc1ncc(cc1C)B(O)O 271570a_100011290941_100000061933 [0,2,0,0,0,0|2,0,0]=4 716 B12R1.48 C=Cc1ncc(cc1F)B(O)O 271570a_100011290941_100000117163 [0,2,0,0,0,0|2,0,0]=4 717 B12R1.48 C=Cc1ncc(cc1N)B(O)O 271570a_100011290941_100009878943 [0,2,0,0,0,0|1,0,0]=3 718 B12R1.48 CSc1ccc(cc1C)B(O)O 62a_100010089846_200000210301 [0,2,0,0,0,0|1,0,0]=3 719 B12R1.48 CSc1ccc(cc1C)B(O)O 62a_200000210301_100010089846 [0,2,0,0,0,0|1,0,0]=3 720 B12R1.48 CSc1ccc(cc1F)B(O)O 62a_100009813512_200000210301 [0,2,0,0,0,0|1,0,0]=3 721 B12R1.48 CSc1ccc(cc1F)B(O)O 62a_200000210301_100009813512 [0,2,0,0,0,0|1,0,0]=3 722 B12R1.48 CSc1ncc(cc1C)B(O)O 62a_100000061933_200000210301 [0,2,0,0,0,0|2,0,0]=4 723 B12R1.48 CSc1ncc(cc1C)B(O)O 62a_200000210301_100000061933 [0,2,0,0,0,0|2,0,0]=4 724 B12R1.48 CSc1ncc(cc1F)B(O)O 62a_100000117163_200000210301 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.48 CSc1ncc(cc1F)B(O)O 62a_200000210301_100000117163 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.48 CSc1ncc(cc1N)B(O)O 62a_100009878943_200000210301 [0,2,0,0,0,0|1,0,0]=3 727 B12R1.48 CSc1ncc(cc1N)B(O)O 62a_200000210301_100009878943 [0,2,0,0,0,0|1,0,0]=3 728 B12R1.48 Cc1cc(ccc1S[13CH3])B(O)O 62a_100010089846_200025704644 [0,2,0,0,0,0|1,0,0]=3 729 B12R1.48 Cc1cc(ccc1S[13CH3])B(O)O 62a_200025704644_100010089846 [0,2,0,0,0,0|1,0,0]=3 730 B12R1.48 Cc1cc(cnc1S[13CH3])B(O)O 62a_100000061933_200025704644 [0,2,0,0,0,0|2,0,0]=4 731 B12R1.48 Cc1cc(cnc1S[13CH3])B(O)O 62a_200025704644_100000061933 [0,2,0,0,0,0|2,0,0]=4 732 B12R1.48 N#Cc1ccc(cc1O)B(O)O 271570a_203496583355_200000103754 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.48 O=Cc1ccc(cc1O)B(O)O 271570a_203496583355_100000062204 [0,2,0,0,0,0|1,0,0]=3 734 B12R1.48 [13CH3]Sc1ccc(cc1F)B(O)O 62a_100009813512_200025704644 [0,2,0,0,0,0|1,0,0]=3 735 B12R1.48 [13CH3]Sc1ccc(cc1F)B(O)O 62a_200025704644_100009813512 [0,2,0,0,0,0|1,0,0]=3 736 B12R1.48 [13CH3]Sc1ncc(cc1F)B(O)O 62a_100000117163_200025704644 [0,2,0,0,0,0|2,0,0]=4 737 B12R1.48 [13CH3]Sc1ncc(cc1F)B(O)O 62a_200025704644_100000117163 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.48 [13CH3]Sc1ncc(cc1N)B(O)O 62a_100009878943_200025704644 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.48 [13CH3]Sc1ncc(cc1N)B(O)O 62a_200025704644_100009878943 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.56 C=Cc1cc(ccc1C)B(O)O 271570a_100011290941_200010223333 [0,2,0,0,0,0|1,0,0]=3 741 B12R1.56 C=Cc1cc(ccc1F)B(O)O 271570a_100011290941_100010175509 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.56 C=Cc1cc(cnc1C)B(O)O 271570a_100011290941_200010710928 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.56 C=Cc1cc(cnc1N)B(O)O 271570a_100011290941_200010710923 [0,2,0,0,0,0|2,0,0]=4 744 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [0,2,0,0,0,0|1,0,0]=3 745 B12R1.56 COc1cc(cnc1O)B(O)O 271570a_203496583355_100009846025 [0,2,0,0,0,0|2,0,0]=4 746 B12R1.56 CSc1cc(ccc1C)B(O)O 62a_200000210301_200010223333 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.56 CSc1cc(ccc1C)B(O)O 62a_200010223333_200000210301 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.56 CSc1cc(ccc1F)B(O)O 62a_100010175509_200000210301 [0,2,0,0,0,0|1,0,0]=3 749 B12R1.56 CSc1cc(ccc1F)B(O)O 62a_200000210301_100010175509 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.56 CSc1cc(cnc1C)B(O)O 62a_200000210301_200010710928 [0,2,0,0,0,0|2,0,0]=4 751 B12R1.56 CSc1cc(cnc1C)B(O)O 62a_200010710928_200000210301 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.56 CSc1cc(cnc1N)B(O)O 62a_200000210301_200010710923 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.56 CSc1cc(cnc1N)B(O)O 62a_200010710923_200000210301 [0,2,0,0,0,0|2,0,0]=4 754 B12R1.56 Cc1ccc(cc1S[13CH3])B(O)O 62a_200010223333_200025704644 [0,2,0,0,0,0|1,0,0]=3 755 B12R1.56 Cc1ccc(cc1S[13CH3])B(O)O 62a_200025704644_200010223333 [0,2,0,0,0,0|1,0,0]=3 756 B12R1.56 Cc1ncc(cc1S[13CH3])B(O)O 62a_200010710928_200025704644 [0,2,0,0,0,0|2,0,0]=4 757 B12R1.56 Cc1ncc(cc1S[13CH3])B(O)O 62a_200025704644_200010710928 [0,2,0,0,0,0|2,0,0]=4 758 B12R1.56 N#Cc1cc(ccc1O)B(O)O 271570a_203496583355_100000049296 [0,2,0,0,0,0|0,0,1]=3 759 B12R1.56 O=Cc1cc(ccc1O)B(O)O 271570a_203496583355_200011083945 [0,2,0,0,0,0|1,0,0]=3 760 B12R1.56 [13CH3]Sc1cc(ccc1F)B(O)O 62a_100010175509_200025704644 [0,2,0,0,0,0|1,0,0]=3 761 B12R1.56 [13CH3]Sc1cc(ccc1F)B(O)O 62a_200025704644_100010175509 [0,2,0,0,0,0|1,0,0]=3 762 B12R1.56 [13CH3]Sc1cc(cnc1N)B(O)O 62a_200010710923_200025704644 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.56 [13CH3]Sc1cc(cnc1N)B(O)O 62a_200025704644_200010710923 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.232 Cc1cc(c(cc1C)B(O)O)O 271570a_203496583355_200134766076 [0,2,0,0,0,0|1,0,0]=3 765 B12R1.232 Cc1cc(c(cc1O)B(O)O)F 271570a_203496583355_100009814728 [0,2,0,0,0,0|1,0,0]=3 766 B12R1.232 Cc1cc(c(cc1O)C)B(O)O 271570a_203496583355_200009814245 [0,2,0,0,0,0|1,0,0]=3 767 B12R1.232 Cc1cc(c(cc1O)F)B(O)O 271570a_203496583355_100010264400 [0,2,0,0,0,0|1,0,0]=3 768 B12R1.232 OB(O)c1cc(c(cc1F)F)O 271570a_203496583355_100010062379 [0,2,0,0,0,0|1,0,0]=3 769 B12R1.232 OB(O)c1cc(c(cc1F)O)F 271570a_203496583355_100010179101 [0,2,0,0,0,0|1,0,0]=3 770 B12R1.232 OB(O)c1cc(c(cc1O)F)F 271570a_203496583355_100009814742 [0,2,0,0,0,0|1,0,0]=3 771 B12R1.367 COC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100011450966 [0,2,0,0,0,0|1,0,1]=4 772 B12R1.893 OB(O)c1ccc(c(c1F)F)O 271570a_203496583355_100009813606 [0,2,0,0,0,0|1,0,0]=3 773 B12R1.1005 Cc1cc(cc(c1C)O)B(O)O 271570a_203496583355_202126042698 [0,2,0,0,0,0|1,0,0]=3 774 B12R1.1005 Cc1cc(cc(c1O)C)B(O)O 271570a_203496583355_100010769218 [0,2,0,0,0,0|1,0,0]=3 775 B12R1.13 COC(OC)c1cccc(c1)O 271570a_203496583355_100009816312 [0,2,0,0,0,0|2,0,0]=4 776 B12R1.17 CC(OCF)c1cccc(c1)N 34a_100011217120_100015361967 [0,2,0,0,0,0|2,0,0]=4 777 B12R1.17 CC(OCF)c1cccc(c1)N 7a_100011217120_100015361967 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.17 CCOC(C)c1cccc(c1)N 34a_100011217120_100000210202 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.17 CCOC(C)c1cccc(c1)N 7a_100011217120_100000210202 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.24 COC(=O)c1cccc(c1O)N 271570a_203496583355_100000719424 [0,2,0,0,0,0|1,0,1]=4 781 B12R1.354 COC(=O)c1cc(ccc1O)N 271570a_203496583355_100000696289 [0,2,0,0,0,0|1,0,1]=4 782 B12R1.358 COC(=O)c1cc(cc(c1)O)N 271570a_203496583355_100138415615 [0,2,0,0,0,0|1,0,1]=4 783 B12R1.11 C=Cc1cc(cc(c1)B(O)O)C 271570a_100011290941_100009814731 [0,2,0,0,0,0|1,0,0]=3 784 B12R1.11 C=Cc1cc(cc(c1)B(O)O)F 271570a_100011290941_100009814746 [0,2,0,0,0,0|1,0,0]=3 785 B12R1.11 C=Cc1cc(cc(c1)B(O)O)O 271570a_100011290941_100010062373 [0,2,0,0,0,0|1,0,0]=3 786 B12R1.11 C=Cc1cc(cc(n1)F)B(O)O 271570a_100011290941_100009887747 [0,2,0,0,0,0|2,0,0]=4 787 B12R1.11 COc1cc(cc(c1)B(O)O)O 271570a_203496583355_100009814751 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.11 CSc1cc(cc(c1)B(O)O)C 62a_100009814731_200000210301 [0,2,0,0,0,0|1,0,0]=3 789 B12R1.11 CSc1cc(cc(c1)B(O)O)C 62a_200000210301_100009814731 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.11 CSc1cc(cc(c1)B(O)O)F 62a_100009814746_200000210301 [0,2,0,0,0,0|1,0,0]=3 791 B12R1.11 CSc1cc(cc(c1)B(O)O)F 62a_200000210301_100009814746 [0,2,0,0,0,0|1,0,0]=3 792 B12R1.11 CSc1cc(cc(c1)B(O)O)O 62a_100010062373_200000210301 [0,2,0,0,0,0|1,0,0]=3 793 B12R1.11 CSc1cc(cc(c1)B(O)O)O 62a_200000210301_100010062373 [0,2,0,0,0,0|1,0,0]=3 794 B12R1.11 CSc1cc(cc(n1)F)B(O)O 62a_100009887747_200000210301 [0,2,0,0,0,0|2,0,0]=4 795 B12R1.11 CSc1cc(cc(n1)F)B(O)O 62a_200000210301_100009887747 [0,2,0,0,0,0|2,0,0]=4 796 B12R1.11 Cc1cc(cc(c1)B(O)O)S[13CH3] 62a_100009814731_200025704644 [0,2,0,0,0,0|1,0,0]=3 797 B12R1.11 Cc1cc(cc(c1)B(O)O)S[13CH3] 62a_200025704644_100009814731 [0,2,0,0,0,0|1,0,0]=3 798 B12R1.11 O=Cc1cc(cc(c1)B(O)O)O 271570a_203496583355_100010231469 [0,2,0,0,0,0|1,0,0]=3 799 B12R1.11 [13CH3]Sc1cc(cc(c1)B(O)O)F 62a_100009814746_200025704644 [0,2,0,0,0,0|1,0,0]=3 800 B12R1.11 [13CH3]Sc1cc(cc(c1)B(O)O)F 62a_200025704644_100009814746 [0,2,0,0,0,0|1,0,0]=3 801 B12R1.11 [13CH3]Sc1cc(cc(c1)B(O)O)O 62a_100010062373_200025704644 [0,2,0,0,0,0|1,0,0]=3 802 B12R1.11 [13CH3]Sc1cc(cc(c1)B(O)O)O 62a_200025704644_100010062373 [0,2,0,0,0,0|1,0,0]=3 803 B12R1.11 [13CH3]Sc1cc(cc(n1)F)B(O)O 62a_100009887747_200025704644 [0,2,0,0,0,0|2,0,0]=4 804 B12R1.11 [13CH3]Sc1cc(cc(n1)F)B(O)O 62a_200025704644_100009887747 [0,2,0,0,0,0|2,0,0]=4 805 B12R1.511 Cc1cc(c(c(c1)B(O)O)C)O 271570a_203496583355_100010254868 [0,2,0,0,0,0|1,0,0]=3 806 B12R1.511 Cc1cc(c(c(c1)B(O)O)F)O 271570a_203496583355_200010212287 [0,2,0,0,0,0|1,0,0]=3 807 B12R1.511 Cc1cc(cc(c1F)B(O)O)O 271570a_203496583355_100009814744 [0,2,0,0,0,0|1,0,0]=3 808 B12R1.511 OB(O)c1cc(cc(c1F)Br)O 271570a_203496583355_202126039154 [0,2,0,0,0,0|1,0,0]=3 809 B12R1.511 OB(O)c1cc(cc(c1F)F)O 271570a_203496583355_200010091563 [0,2,0,0,0,0|1,0,0]=3 810 B12R1.87 COc1c(cccc1B(O)O)O 271570a_203496583355_100010078571 [0,2,0,0,0,0|1,0,0]=3 811 B12R1.87 CSc1c(cccc1B(O)O)C 62a_100046285795_200000210301 [0,2,0,0,0,0|1,0,0]=3 812 B12R1.87 CSc1c(cccc1B(O)O)C 62a_200000210301_100046285795 [0,2,0,0,0,0|1,0,0]=3 813 B12R1.87 CSc1c(cccc1B(O)O)F 62a_100011016267_200000210301 [0,2,0,0,0,0|1,0,0]=3 814 B12R1.87 CSc1c(cccc1B(O)O)F 62a_200000210301_100011016267 [0,2,0,0,0,0|1,0,0]=3 815 B12R1.87 Cc1cccc(c1S[13CH3])B(O)O 62a_100046285795_200025704644 [0,2,0,0,0,0|1,0,0]=3 816 B12R1.87 Cc1cccc(c1S[13CH3])B(O)O 62a_200025704644_100046285795 [0,2,0,0,0,0|1,0,0]=3 817 B12R1.87 N#Cc1c(cccc1B(O)O)O 271570a_203496583355_100010231474 [0,2,0,0,0,0|1,0,0]=3 818 B12R1.87 O=Cc1c(cccc1B(O)O)O 271570a_203496583355_100009861587 [0,2,0,0,0,0|1,0,0]=3 819 B12R1.87 [13CH3]Sc1c(cccc1B(O)O)F 62a_100011016267_200025704644 [0,2,0,0,0,0|1,0,0]=3 820 B12R1.87 [13CH3]Sc1c(cccc1B(O)O)F 62a_200025704644_100011016267 [0,2,0,0,0,0|1,0,0]=3 821 B12R1.440 C=Cc1cccc(c1C)B(O)O 271570a_100011290941_100000724322 [0,2,0,0,0,0|1,0,0]=3 822 B12R1.440 C=Cc1cccc(c1F)B(O)O 271570a_100011290941_100011934463 [0,2,0,0,0,0|1,0,0]=3 823 B12R1.440 C=Cc1nccc(c1F)B(O)O 271570a_100011290941_200010157539 [0,2,0,0,0,0|2,0,0]=4 824 B12R1.440 CSc1cccc(c1C)B(O)O 62a_100000724322_200000210301 [0,2,0,0,0,0|1,0,0]=3 825 B12R1.440 CSc1cccc(c1C)B(O)O 62a_200000210301_100000724322 [0,2,0,0,0,0|1,0,0]=3 826 B12R1.440 CSc1cccc(c1F)B(O)O 62a_100011934463_200000210301 [0,2,0,0,0,0|1,0,0]=3 827 B12R1.440 CSc1cccc(c1F)B(O)O 62a_200000210301_100011934463 [0,2,0,0,0,0|1,0,0]=3 828 B12R1.440 CSc1nccc(c1F)B(O)O 62a_100000067982_200000210301 [0,2,0,0,0,0|2,0,0]=4 829 B12R1.440 CSc1nccc(c1F)B(O)O 62a_200000210301_100000067982 [0,2,0,0,0,0|2,0,0]=4 830 B12R1.440 Cc1c(cccc1B(O)O)S[13CH3] 62a_100000724322_200025704644 [0,2,0,0,0,0|1,0,0]=3 831 B12R1.440 Cc1c(cccc1B(O)O)S[13CH3] 62a_200025704644_100000724322 [0,2,0,0,0,0|1,0,0]=3 832 B12R1.440 [13CH3]Sc1cccc(c1F)B(O)O 62a_100011934463_200025704644 [0,2,0,0,0,0|1,0,0]=3 833 B12R1.440 [13CH3]Sc1cccc(c1F)B(O)O 62a_200025704644_100011934463 [0,2,0,0,0,0|1,0,0]=3 834 B12R1.440 [13CH3]Sc1nccc(c1F)B(O)O 62a_100000067982_200025704644 [0,2,0,0,0,0|2,0,0]=4 835 B12R1.440 [13CH3]Sc1nccc(c1F)B(O)O 62a_200025704644_100000067982 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.894 Cc1ccc(c(c1B(O)O)F)O 271570a_203496583355_100016072109 [0,2,0,0,0,0|1,0,0]=3 837 B12R1.894 Cc1ccc(c(c1F)B(O)O)O 271570a_203496583355_100009814727 [0,2,0,0,0,0|1,0,0]=3 838 B12R1.894 OB(O)c1c(ccc(c1F)F)O 271570a_203496583355_200009814748 [0,2,0,0,0,0|1,0,0]=3 839 B12R1.894 OB(O)c1c(ccc(c1F)O)Br 271570a_203496583355_200010201209 [0,2,0,0,0,0|1,0,0]=3 840 B12R1.894 OB(O)c1c(ccc(c1F)O)F 271570a_203496583355_200011356793 [0,2,0,0,0,0|1,0,0]=3 841 B12R1.894 OB(O)c1c(ccc(c1F)O)O 271570a_203496583355_200010254889 [0,2,0,0,0,0|1,0,0]=3 842 B12R1.46 C=Cc1ccc(cc1B(O)O)C 271570a_100011290941_200010883979 [0,2,0,0,0,0|1,0,0]=3 843 B12R1.46 C=Cc1ccc(cc1B(O)O)F 271570a_100011290941_200009816908 [0,2,0,0,0,0|1,0,0]=3 844 B12R1.46 C=Cc1ncc(cc1B(O)O)C 271570a_100011290941_200000049436 [0,2,0,0,0,0|2,0,0]=4 845 B12R1.46 COc1ccc(cc1B(O)O)O 271570a_203496583355_100009813459 [0,2,0,0,0,0|1,0,0]=3 846 B12R1.46 COc1ncc(cc1B(O)O)O 271570a_203496583355_200009814737 [0,2,0,0,0,0|2,0,0]=4 847 B12R1.46 CSc1ccc(cc1B(O)O)C 62a_200000210301_200010883979 [0,2,0,0,0,0|1,0,0]=3 848 B12R1.46 CSc1ccc(cc1B(O)O)C 62a_200010883979_200000210301 [0,2,0,0,0,0|1,0,0]=3 849 B12R1.46 CSc1ccc(cc1B(O)O)F 62a_200000210301_200009816908 [0,2,0,0,0,0|1,0,0]=3 850 B12R1.46 CSc1ccc(cc1B(O)O)F 62a_200009816908_200000210301 [0,2,0,0,0,0|1,0,0]=3 851 B12R1.46 CSc1ncc(cc1B(O)O)C 62a_200000049436_200000210301 [0,2,0,0,0,0|2,0,0]=4 852 B12R1.46 CSc1ncc(cc1B(O)O)C 62a_200000210301_200000049436 [0,2,0,0,0,0|2,0,0]=4 853 B12R1.46 Cc1ccc(c(c1)B(O)O)S[13CH3] 62a_200010883979_200025704644 [0,2,0,0,0,0|1,0,0]=3 854 B12R1.46 Cc1ccc(c(c1)B(O)O)S[13CH3] 62a_200025704644_200010883979 [0,2,0,0,0,0|1,0,0]=3 855 B12R1.46 Cc1cnc(c(c1)B(O)O)S[13CH3] 62a_200000049436_200025704644 [0,2,0,0,0,0|2,0,0]=4 856 B12R1.46 Cc1cnc(c(c1)B(O)O)S[13CH3] 62a_200025704644_200000049436 [0,2,0,0,0,0|2,0,0]=4 857 B12R1.46 N#Cc1ccc(cc1B(O)O)O 271570a_203496583355_100010231475 [0,2,0,0,0,0|1,0,0]=3 858 B12R1.46 [13CH3]Sc1ccc(cc1B(O)O)F 62a_200009816908_200025704644 [0,2,0,0,0,0|1,0,0]=3 859 B12R1.46 [13CH3]Sc1ccc(cc1B(O)O)F 62a_200025704644_200009816908 [0,2,0,0,0,0|1,0,0]=3 860 B12R1.453 C=Cc1ccc(c(c1)B(O)O)Br 271570a_100011290941_200010171685 [0,2,0,0,0,0|1,0,0]=3 861 B12R1.453 C=Cc1ccc(c(c1)B(O)O)C 271570a_100011290941_100010223188 [0,2,0,0,0,0|1,0,0]=3 862 B12R1.453 C=Cc1ccc(c(c1)B(O)O)F 271570a_100011290941_100011356809 [0,2,0,0,0,0|1,0,0]=3 863 B12R1.453 C=Cc1ccc(c(c1)B(O)O)O 271570a_100011290941_200009814749 [0,2,0,0,0,0|1,0,0]=3 864 B12R1.453 C=Cc1cnc(c(c1)B(O)O)F 271570a_100011290941_100009814310 [0,2,0,0,0,0|2,0,0]=4 865 B12R1.453 COc1cc(c(cn1)O)B(O)O 271570a_203496583355_100009814741 [0,2,0,0,0,0|2,0,0]=4 866 B12R1.453 COc1ccc(c(c1)B(O)O)O 271570a_203496583355_100009814730 [0,2,0,0,0,0|1,0,0]=3 867 B12R1.453 CSc1cc(c(cn1)F)B(O)O 62a_100000117191_200000210301 [0,2,0,0,0,0|2,0,0]=4 868 B12R1.453 CSc1cc(c(cn1)F)B(O)O 62a_200000210301_100000117191 [0,2,0,0,0,0|2,0,0]=4 869 B12R1.453 CSc1ccc(c(c1)B(O)O)Br 62a_200000210301_200010171685 [0,2,0,0,0,0|1,0,0]=3 870 B12R1.453 CSc1ccc(c(c1)B(O)O)Br 62a_200010171685_200000210301 [0,2,0,0,0,0|1,0,0]=3 871 B12R1.453 CSc1ccc(c(c1)B(O)O)C 62a_100010223188_200000210301 [0,2,0,0,0,0|1,0,0]=3 872 B12R1.453 CSc1ccc(c(c1)B(O)O)C 62a_200000210301_100010223188 [0,2,0,0,0,0|1,0,0]=3 873 B12R1.453 CSc1ccc(c(c1)B(O)O)F 62a_100011356809_200000210301 [0,2,0,0,0,0|1,0,0]=3 874 B12R1.453 CSc1ccc(c(c1)B(O)O)F 62a_200000210301_100011356809 [0,2,0,0,0,0|1,0,0]=3 875 B12R1.453 CSc1cnc(c(c1)B(O)O)F 62a_100009814310_200000210301 [0,2,0,0,0,0|2,0,0]=4 876 B12R1.453 CSc1cnc(c(c1)B(O)O)F 62a_200000210301_100009814310 [0,2,0,0,0,0|2,0,0]=4 877 B12R1.453 Cc1ccc(cc1B(O)O)S[13CH3] 62a_100010223188_200025704644 [0,2,0,0,0,0|1,0,0]=3 878 B12R1.453 Cc1ccc(cc1B(O)O)S[13CH3] 62a_200025704644_100010223188 [0,2,0,0,0,0|1,0,0]=3 879 B12R1.453 N#Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_100000068296 [0,2,0,0,0,0|0,0,1]=3 880 B12R1.453 O=Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_100000068294 [0,2,0,0,0,0|1,0,0]=3 881 B12R1.453 [13CH3]Sc1cc(c(cn1)F)B(O)O 62a_100000117191_200025704644 [0,2,0,0,0,0|2,0,0]=4 882 B12R1.453 [13CH3]Sc1cc(c(cn1)F)B(O)O 62a_200025704644_100000117191 [0,2,0,0,0,0|2,0,0]=4 883 B12R1.453 [13CH3]Sc1ccc(c(c1)B(O)O)Br 62a_200010171685_200025704644 [0,2,0,0,0,0|1,0,0]=3 884 B12R1.453 [13CH3]Sc1ccc(c(c1)B(O)O)Br 62a_200025704644_200010171685 [0,2,0,0,0,0|1,0,0]=3 885 B12R1.453 [13CH3]Sc1ccc(c(c1)B(O)O)F 62a_100011356809_200025704644 [0,2,0,0,0,0|1,0,0]=3 886 B12R1.453 [13CH3]Sc1ccc(c(c1)B(O)O)F 62a_200025704644_100011356809 [0,2,0,0,0,0|1,0,0]=3 887 B12R1.453 [13CH3]Sc1cnc(c(c1)B(O)O)F 62a_100009814310_200025704644 [0,2,0,0,0,0|2,0,0]=4 888 B12R1.453 [13CH3]Sc1cnc(c(c1)B(O)O)F 62a_200025704644_100009814310 [0,2,0,0,0,0|2,0,0]=4 889 B12R1.258 C=C(C)c1cc(ccn1)B(O)O 271570a_100000694244_100000049459 [0,2,0,0,0,0|2,0,0]=4 890 B12R1.258 C=C(C)c1cccc(c1)B(O)O 271570a_100000694244_100000687717 [0,2,0,0,0,0|1,0,0]=3 891 B12R1.258 C=C(C)c1cccc(n1)B(O)O 271570a_100000694244_100000117343 [0,2,0,0,0,0|2,0,0]=4 892 B12R1.258 C=C(C)c1cncc(c1)B(O)O 271570a_100000694244_200009814628 [0,2,0,0,0,0|2,0,0]=4 893 B12R1.279 C=C=Cc1cc(ccn1)B(O)O 271570a_100015277604_100000049459 [0,2,0,0,0,0|2,0,0]=4 894 B12R1.279 C=C=Cc1cccc(c1)B(O)O 271570a_100015277604_100000687717 [0,2,0,0,0,0|1,0,0]=3 895 B12R1.279 C=C=Cc1cccc(n1)B(O)O 271570a_100015277604_100000117343 [0,2,0,0,0,0|2,0,0]=4 896 B12R1.279 C=C=Cc1cncc(c1)B(O)O 271570a_100015277604_200009814628 [0,2,0,0,0,0|2,0,0]=4 897 B12R1.279 CC(O)c1cccc(c1)NCF 34a_100011217120_100015361967 [0,2,0,0,0,0|2,0,0]=4 898 B12R1.279 CC=Cc1cc(ccn1)B(O)O 271570a_100016259895_100000049459 [0,2,0,0,0,0|2,0,0]=4 899 B12R1.279 CC=Cc1cccc(c1)B(O)O 271570a_100016259895_100000687717 [0,2,0,0,0,0|1,0,0]=3 900 B12R1.279 CC=Cc1cccc(n1)B(O)O 271570a_100016259895_100000117343 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.279 CC=Cc1cncc(c1)B(O)O 271570a_100016259895_200009814628 [0,2,0,0,0,0|2,0,0]=4 902 B12R1.279 CCNc1cccc(c1)C(C)O 2230a_100011217120_100000210202 [0,2,0,0,0,0|2,0,0]=4 903 B12R1.279 CCNc1cccc(c1)C(C)O 34a_100011217120_100000210202 [0,2,0,0,0,0|2,0,0]=4 904 B12R1.279 CCSc1cc(ccn1)B(O)O 62a_100000049459_100000210202 [0,2,0,0,0,0|2,0,0]=4 905 B12R1.279 CCSc1cc(ccn1)B(O)O 62a_100000210202_100000049459 [0,2,0,0,0,0|2,0,0]=4 906 B12R1.279 CCSc1cccc(c1)B(O)O 62a_100000210202_100000687717 [0,2,0,0,0,0|1,0,0]=3 907 B12R1.279 CCSc1cccc(c1)B(O)O 62a_100000687717_100000210202 [0,2,0,0,0,0|1,0,0]=3 908 B12R1.279 CCSc1cccc(n1)B(O)O 62a_100000117343_100000210202 [0,2,0,0,0,0|2,0,0]=4 909 B12R1.279 CCSc1cccc(n1)B(O)O 62a_100000210202_100000117343 [0,2,0,0,0,0|2,0,0]=4 910 B12R1.279 CCSc1cncc(c1)B(O)O 62a_100000210202_200009814628 [0,2,0,0,0,0|2,0,0]=4 911 B12R1.279 CCSc1cncc(c1)B(O)O 62a_200009814628_100000210202 [0,2,0,0,0,0|2,0,0]=4 912 B12R1.279 CNCc1cccc(c1)B(O)O 2230a_106832991635_100009814088 [0,2,0,0,0,0|0,0,0]=2 913 B12R1.279 CNCc1cccc(c1)B(O)O 34a_100102657272_100009814088 [0,2,0,0,0,0|0,0,0]=2 914 B12R1.279 CNCc1cccc(c1)B(O)O 7a_106832991635_100009814088 [0,2,0,0,0,0|0,0,0]=2 915 B12R1.279 CNCc1cccc(c1)C(=O)O 269956a_100000752609_200000210301 [0,2,0,0,0,0|1,0,1]=4 916 B12R1.279 CNCc1cccc(c1)C(C)O 26a_100102657272_100000748013 [0,2,0,0,0,0|2,0,0]=4 917 B12R1.279 COCc1cccc(c1)B(O)O 34a_100138415774_100009814088 [0,2,0,0,0,0|1,0,0]=3 918 B12R1.279 CSCc1cccc(c1)B(O)O 62a_100009814088_200000210301 [0,2,0,0,0,0|1,0,0]=3 919 B12R1.279 CSCc1cccc(c1)B(O)O 62a_200000210301_100009814088 [0,2,0,0,0,0|1,0,0]=3 920 B12R1.279 OB(O)c1cccc(c1)SCF 62a_100000687717_100015361967 [0,2,0,0,0,0|1,0,0]=3 921 B12R1.279 OB(O)c1cccc(c1)SCF 62a_100015361967_100000687717 [0,2,0,0,0,0|1,0,0]=3 922 B12R1.279 OB(O)c1cccc(n1)SCF 62a_100000117343_100015361967 [0,2,0,0,0,0|2,0,0]=4 923 B12R1.279 OB(O)c1cccc(n1)SCF 62a_100015361967_100000117343 [0,2,0,0,0,0|2,0,0]=4 924 B12R1.279 OB(O)c1ccnc(c1)SCF 62a_100000049459_100015361967 [0,2,0,0,0,0|2,0,0]=4 925 B12R1.279 OB(O)c1ccnc(c1)SCF 62a_100015361967_100000049459 [0,2,0,0,0,0|2,0,0]=4 926 B12R1.279 OB(O)c1cncc(c1)SCF 62a_100015361967_200009814628 [0,2,0,0,0,0|2,0,0]=4 927 B12R1.279 OB(O)c1cncc(c1)SCF 62a_200009814628_100015361967 [0,2,0,0,0,0|2,0,0]=4 928 B12R1.279 [13CH3]NCc1cccc(c1)C(=O)O 269956a_100000752609_200025704644 [0,2,0,0,0,0|1,0,1]=4 929 B12R1.279 [13CH3]SCc1cccc(c1)B(O)O 62a_100009814088_200025704644 [0,2,0,0,0,0|1,0,0]=3 930 B12R1.279 [13CH3]SCc1cccc(c1)B(O)O 62a_200025704644_100009814088 [0,2,0,0,0,0|1,0,0]=3 931 B12R2.606 Nc1ccc2nc(sc2c1)O 271570a_203496583355_100010253933 [0,0,0,1,0,1|2,0,0]=4 932 B12R2.606 Nc1ccc2sc(nc2c1)O 271570a_203496583355_100010329861 [0,0,0,1,0,1|1,1,0]=4 933 B12R2.132 Nc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100012353729 [0,1,0,1,0,0|2,0,0]=4 934 B12R2.132 Nc1ccc2scc(c2c1)O 271570a_203496583355_100011178648 [0,1,0,1,0,0|1,1,0]=4 935 B12R2.196 Nc1cccc2c1[nH]nc2O 271570a_203496583355_100009888981 [0,1,0,1,0,0|2,0,0]=4 936 B10R0.3 C=CCC(=O)C/C=C/B(O)O 1458a_100000210193_100016262062 [0,0,1,0,0,1|1,0,1]=4 937 B10R0.3 CC=CC(=O)C/C=C/B(O)O 1458a_100000210699_100016262062 [0,0,1,0,0,1|1,0,1]=4 938 B10R0.3 O=C(C=CBr)C/C=C/B(O)O 1458a_100016273825_100016262062 [0,0,1,0,0,1|2,0,0]=4 939 B10R0.3 O=C(C=CCl)C/C=C/B(O)O 1458a_200016279998_100016262062 [0,0,1,0,0,1|2,0,0]=4 940 B10R0.3 O=C(C=CI)C/C=C/B(O)O 1458a_100016256311_100016262062 [0,0,1,0,0,1|2,0,0]=4 941 B12R1.226 CC(O)C=Cc1cccc(c1)N 271570a_200011019289_100000210019 [0,0,0,0,0,2|2,0,0]=4 942 B12R1.226 CC(O)COc1cccc(c1)N 34a_100000210217_100011218427 [0,0,0,0,0,2|2,0,0]=4 943 B12R1.226 CC(O)CSc1cccc(c1)N 62a_100000210019_100011218427 [0,0,0,0,0,2|2,0,0]=4 944 B12R1.226 CC(O)CSc1cccc(c1)N 62a_100011218427_100000210019 [0,0,0,0,0,2|2,0,0]=4 945 B12R1.226 C[C@@H](O)COc1cccc(c1)N 34a_100000210217_100009817552 [0,0,0,0,0,2|2,0,0]=4 946 B12R1.226 C[C@@H](O)CSc1cccc(c1)N 62a_100000210019_100009817552 [0,0,0,0,0,2|2,0,0]=4 947 B12R1.226 C[C@@H](O)CSc1cccc(c1)N 62a_100009817552_100000210019 [0,0,0,0,0,2|2,0,0]=4