0 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [1,0,0,0,0,0|1,1,0]=3 18 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [1,0,0,0,0,0|1,1,0]=3 19 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [1,0,0,0,0,0|2,1,0]=4 20 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [1,0,0,0,0,0|2,1,0]=4 21 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [1,0,0,0,0,0|2,1,0]=4 22 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [1,0,0,0,0,0|1,0,1]=3 23 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [1,0,0,0,0,0|1,1,0]=3 32 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [1,0,0,0,0,0|1,1,0]=3 33 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [1,0,0,0,0,0|2,1,0]=4 34 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [1,0,0,0,0,0|2,1,0]=4 35 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [1,0,0,0,0,0|2,1,0]=4 36 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [1,0,0,0,0,0|1,0,1]=3 37 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [1,0,0,0,0,0|1,0,1]=3 38 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [1,0,0,0,0,0|2,0,1]=4 41 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.13 CN(C)c1ccc(cc1)Br 2230a_100000219623_200000210301 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.13 CN(C)c1ccc(cc1)Br 269982a_100000219623_200000210301 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.13 CN(C)c1ccc(cc1)Br 34a_100000219623_200000210301 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.13 CN(C)c1ccc(cc1)Cl 2230a_100020629279_200000210301 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.13 CN(C)c1ccc(cc1)Cl 269982a_100020629279_200000210301 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.13 CN(C)c1ccc(cc1)Cl 34a_100020629279_200000210301 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.13 CN(C)c1ccc(cc1)F 2230a_100000219829_200000210301 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.13 CN(C)c1ccc(cc1)F 269982a_100000219829_200000210301 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.13 CN(C)c1ccc(cc1)F 34a_100000219829_200000210301 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.13 CN(C)c1ccc(cc1)I 2230a_100000743151_200000210301 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.13 CN(C)c1ccc(cc1)I 269982a_100000743151_200000210301 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.13 CN(C)c1ccc(cc1)I 34a_100000743151_200000210301 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.13 CN([13CH3])c1ccc(cc1)Br 2230a_100000219623_200025704644 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.13 CN([13CH3])c1ccc(cc1)Br 269982a_100000219623_200025704644 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.13 CN([13CH3])c1ccc(cc1)Br 34a_100000219623_200025704644 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 2230a_100020629279_200025704644 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 269982a_100020629279_200025704644 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 34a_100020629279_200025704644 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.13 CN([13CH3])c1ccc(cc1)F 2230a_100000219829_200025704644 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.13 CN([13CH3])c1ccc(cc1)F 269982a_100000219829_200025704644 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.13 CN([13CH3])c1ccc(cc1)F 34a_100000219829_200025704644 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.13 CN([13CH3])c1ccc(cc1)I 2230a_100000743151_200025704644 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.13 CN([13CH3])c1ccc(cc1)I 269982a_100000743151_200025704644 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.13 CN([13CH3])c1ccc(cc1)I 34a_100000743151_200025704644 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.13 CS(=O)c1ncc(cn1)O 271570a_203496583355_100010117237 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [0,1,0,0,0,0|1,0,1]=3 108 B10R1.13 OB(O)c1ccc(cn1)O 271570a_203496583355_200010198023 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.13 OB(O)c1ccc(nc1)O 271570a_203496583355_100000688115 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,1,0,0,0,0|2,1,0]=4 117 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,1,0,0,0,0|2,1,0]=4 118 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,1,0,0,0,0|2,1,0]=4 143 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,1,0,0,0,0|2,1,0]=4 144 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.61 CN(C)c1ccccc1Br 2230a_100020606079_200000210301 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.61 CN(C)c1ccccc1Br 269982a_100020606079_200000210301 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.61 CN(C)c1ccccc1Br 34a_100020606079_200000210301 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.61 CN(C)c1ccccc1Cl 2230a_100000219374_200000210301 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.61 CN(C)c1ccccc1Cl 269982a_100000219374_200000210301 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.61 CN(C)c1ccccc1Cl 34a_100000219374_200000210301 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.61 CN(C)c1ccccc1F 2230a_100000220357_200000210301 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.61 CN(C)c1ccccc1F 269982a_100000220357_200000210301 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.61 CN(C)c1ccccc1F 34a_100000220357_200000210301 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.61 CN(C)c1ccccc1F 38a_100000220357_200000210301 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.61 CN([13CH3])c1ccccc1Br 2230a_100020606079_200025704644 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.61 CN([13CH3])c1ccccc1Br 269982a_100020606079_200025704644 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.61 CN([13CH3])c1ccccc1Br 34a_100020606079_200025704644 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.61 CN([13CH3])c1ccccc1Cl 2230a_100000219374_200025704644 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.61 CN([13CH3])c1ccccc1Cl 269982a_100000219374_200025704644 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.61 CN([13CH3])c1ccccc1Cl 34a_100000219374_200025704644 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.61 CN([13CH3])c1ccccc1F 2230a_100000220357_200025704644 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.61 CN([13CH3])c1ccccc1F 269982a_100000220357_200025704644 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.61 CN([13CH3])c1ccccc1F 34a_100000220357_200025704644 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.61 CN([13CH3])c1ccccc1F 38a_100000220357_200025704644 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [0,1,0,0,0,0|1,0,0]=2 194 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [0,1,0,0,0,0|1,0,1]=3 208 B10R1.61 OB(O)c1cccnc1O 271570a_203496583355_100009815992 [0,1,0,0,0,0|2,0,1]=4 209 B10R1.61 OB(O)c1ccncc1O 271570a_203496583355_200010176179 [0,1,0,0,0,0|2,0,1]=4 210 B10R1.61 Oc1ccccc1C(F)F 271570a_203496583355_100010169824 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.113 CC(O)c1cc(ccn1)O 271570a_203496583355_100000144657 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.113 CC(O)c1cncc(c1)O 271570a_203496583355_100012351597 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.113 CN(C)c1cccc(c1)Br 2230a_100000219648_200000210301 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.113 CN(C)c1cccc(c1)Br 269982a_100000219648_200000210301 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.113 CN(C)c1cccc(c1)Br 34a_100000219648_200000210301 [0,1,0,0,0,0|3,0,0]=4 245 B10R1.113 CN(C)c1cccc(c1)Cl 2230a_100000220044_200000210301 [0,1,0,0,0,0|3,0,0]=4 246 B10R1.113 CN(C)c1cccc(c1)Cl 269982a_100000220044_200000210301 [0,1,0,0,0,0|3,0,0]=4 247 B10R1.113 CN(C)c1cccc(c1)Cl 34a_100000220044_200000210301 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.113 CN(C)c1cccc(c1)F 2230a_100020633736_200000210301 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.113 CN(C)c1cccc(c1)F 269982a_100020633736_200000210301 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.113 CN(C)c1cccc(c1)F 34a_100020633736_200000210301 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.113 CN(C)c1cccc(c1)I 2230a_100000221217_200000210301 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.113 CN(C)c1cccc(c1)I 269982a_100000221217_200000210301 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.113 CN(C)c1cccc(c1)I 34a_100000221217_200000210301 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.113 CN([13CH3])c1cccc(c1)Br 2230a_100000219648_200025704644 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.113 CN([13CH3])c1cccc(c1)Br 269982a_100000219648_200025704644 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.113 CN([13CH3])c1cccc(c1)Br 34a_100000219648_200025704644 [0,1,0,0,0,0|3,0,0]=4 261 B10R1.113 CN([13CH3])c1cccc(c1)Cl 2230a_100000220044_200025704644 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.113 CN([13CH3])c1cccc(c1)Cl 269982a_100000220044_200025704644 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.113 CN([13CH3])c1cccc(c1)Cl 34a_100000220044_200025704644 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.113 CN([13CH3])c1cccc(c1)F 2230a_100020633736_200025704644 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.113 CN([13CH3])c1cccc(c1)F 269982a_100020633736_200025704644 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.113 CN([13CH3])c1cccc(c1)F 34a_100020633736_200025704644 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.113 CN([13CH3])c1cccc(c1)I 2230a_100000221217_200025704644 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.113 CN([13CH3])c1cccc(c1)I 269982a_100000221217_200025704644 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.113 CN([13CH3])c1cccc(c1)I 34a_100000221217_200025704644 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [0,1,0,0,0,0|1,0,0]=2 274 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,1,0,0,0,0|2,0,0]=3 275 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [0,1,0,0,0,0|3,0,0]=4 276 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [0,1,0,0,0,0|3,0,0]=4 278 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,1,0,0,0,0|3,0,0]=4 282 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,1,0,0,0,0|3,0,0]=4 286 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [0,1,0,0,0,0|1,0,1]=3 287 B10R1.113 OB(O)c1cccc(n1)O 271570a_203496583355_100000117343 [0,1,0,0,0,0|2,0,1]=4 288 B10R1.113 OB(O)c1ccnc(c1)O 271570a_203496583355_100000049459 [0,1,0,0,0,0|2,0,1]=4 289 B10R1.113 OB(O)c1cncc(c1)O 271570a_203496583355_200009814628 [0,1,0,0,0,0|2,0,1]=4 290 B10R1.113 Oc1cccc(c1)C(F)F 271570a_203496583355_100009892619 [0,1,0,0,0,0|3,0,0]=4 291 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,1,0,0,0,0|2,0,0]=3 292 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,1,0,0,0,0|2,0,0]=3 293 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,1,0,0,0,0|2,0,0]=3 294 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,1,0,0,0,0|2,0,0]=3 295 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,1,0,0,0,0|2,0,0]=3 296 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [0,0,0,1,0,0|3,0,0]=4 297 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [0,0,0,0,0,1|3,0,0]=4 298 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [0,0,0,0,0,1|3,0,0]=4 299 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,0,1|2,0,0]=3 300 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,0,1|3,0,0]=4 301 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,0,1|3,0,0]=4 302 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,0,1|3,0,0]=4 303 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,0,1|3,0,0]=4 304 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,0,0,0,0,1|3,0,0]=4 305 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,0,1|2,0,0]=3 306 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,0,1|2,0,0]=3 307 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,0,1|2,0,0]=3 308 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,0,1|2,0,0]=3 309 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [0,0,0,0,0,1|3,0,0]=4 310 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [0,0,0,0,0,1|3,0,0]=4 311 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [0,0,0,0,0,1|3,0,0]=4 312 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [0,0,0,0,0,1|3,0,0]=4 313 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [0,0,0,0,0,1|3,0,0]=4 314 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [0,0,0,0,0,1|3,0,0]=4 315 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [0,0,0,0,0,1|3,0,0]=4 316 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [0,0,0,0,0,1|3,0,0]=4 317 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [0,0,0,0,0,1|3,0,0]=4 318 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [0,0,0,0,0,1|3,0,0]=4 319 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [0,0,0,0,0,1|3,0,0]=4 320 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [0,0,0,0,0,1|3,0,0]=4 321 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [0,0,0,0,0,1|3,0,0]=4 322 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,0,1|3,0,0]=4 323 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,0,1|3,0,0]=4 324 B7R1.3 Oc1ccccc1 271570a_203496583355_100000210277 [2,0,0,0,0,0|0,0,0]=2 325 B7R1.3 Oc1ccccn1 271570a_203496583355_100011216584 [2,0,0,0,0,0|1,0,0]=3 326 B7R1.3 Oc1cccnc1 271570a_203496583355_100000752921 [2,0,0,0,0,0|1,0,0]=3 327 B7R1.3 Oc1cccnn1 271570a_203496583355_100016991348 [2,0,0,0,0,0|2,0,0]=4 328 B7R1.3 Oc1ccncc1 271570a_203496583355_100000035832 [2,0,0,0,0,0|1,0,0]=3 329 B7R1.3 Oc1ccncn1 271570a_203496583355_100000703185 [2,0,0,0,0,0|2,0,0]=4 330 B7R1.3 Oc1ccnnc1 271570a_203496583355_100000732662 [2,0,0,0,0,0|2,0,0]=4 331 B7R1.3 Oc1cnccn1 271570a_203496583355_100000758340 [2,0,0,0,0,0|2,0,0]=4 332 B7R1.3 Oc1cncnc1 271570a_203496583355_100011206942 [2,0,0,0,0,0|2,0,0]=4 333 B7R1.3 Oc1ncccn1 271570a_203496583355_100000211032 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [1,1,0,0,0,0|2,0,0]=4 345 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [1,1,0,0,0,0|2,0,0]=4 349 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [1,1,0,0,0,0|1,1,0]=4 351 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [1,1,0,0,0,0|1,1,0]=4 352 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [1,1,0,0,0,0|1,1,0]=4 353 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [1,1,0,0,0,0|1,1,0]=4 354 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [1,1,0,0,0,0|1,1,0]=4 355 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [1,1,0,0,0,0|1,1,0]=4 356 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [1,1,0,0,0,0|1,1,0]=4 357 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [1,1,0,0,0,0|1,1,0]=4 358 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [1,1,0,0,0,0|1,1,0]=4 359 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [1,1,0,0,0,0|1,1,0]=4 360 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [1,1,0,0,0,0|1,1,0]=4 361 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [1,1,0,0,0,0|1,0,1]=4 362 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [1,1,0,0,0,0|1,0,1]=4 363 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [1,1,0,0,0,0|1,0,1]=4 364 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [1,1,0,0,0,0|1,0,1]=4 365 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [1,1,0,0,0,0|1,0,1]=4 366 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [1,1,0,0,0,0|1,0,1]=4 367 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [1,1,0,0,0,0|1,0,1]=4 368 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [1,1,0,0,0,0|1,0,1]=4 369 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [1,1,0,0,0,0|1,0,1]=4 370 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [1,1,0,0,0,0|1,0,1]=4 371 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [1,1,0,0,0,0|1,0,1]=4 372 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [1,1,0,0,0,0|1,0,1]=4 373 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [1,1,0,0,0,0|1,1,0]=4 375 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [1,1,0,0,0,0|1,1,0]=4 376 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [1,1,0,0,0,0|1,0,1]=4 377 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [1,1,0,0,0,0|1,0,1]=4 378 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [1,1,0,0,0,0|1,0,0]=3 382 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [1,1,0,0,0,0|1,0,0]=3 385 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [1,1,0,0,0,0|1,1,0]=4 396 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [1,1,0,0,0,0|1,1,0]=4 397 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [1,1,0,0,0,0|1,1,0]=4 398 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [1,1,0,0,0,0|1,1,0]=4 399 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [1,1,0,0,0,0|1,1,0]=4 400 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [1,1,0,0,0,0|1,1,0]=4 401 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [1,1,0,0,0,0|1,1,0]=4 402 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [1,1,0,0,0,0|1,1,0]=4 403 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [1,1,0,0,0,0|1,0,1]=4 404 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [1,1,0,0,0,0|1,0,1]=4 405 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [1,1,0,0,0,0|1,0,1]=4 406 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [1,1,0,0,0,0|1,0,1]=4 407 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [1,1,0,0,0,0|1,0,1]=4 408 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [1,1,0,0,0,0|1,0,1]=4 409 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [1,1,0,0,0,0|1,0,1]=4 410 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [1,1,0,0,0,0|1,0,1]=4 411 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [1,1,0,0,0,0|1,0,1]=4 412 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.2 CNc1cccc(c1)Br 34a_100000210019_200000210301 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.2 CNc1cccc(c1)Cl 34a_100000185859_200000210301 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.2 CNc1cccc(c1)F 34a_100000210047_200000210301 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.2 CNc1cccc(c1)I 34a_100000211102_200000210301 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.2 COc1cccc(c1)Br 34a_100000210342_200000210301 [1,1,0,0,0,0|1,1,0]=4 429 B9R1.2 COc1cccc(c1)Br 7a_100000210342_200000210301 [1,1,0,0,0,0|1,1,0]=4 430 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [1,1,0,0,0,0|1,1,0]=4 431 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [1,1,0,0,0,0|1,1,0]=4 432 B9R1.2 COc1cccc(c1)Cl 34a_100000210295_200000210301 [1,1,0,0,0,0|1,1,0]=4 433 B9R1.2 COc1cccc(c1)Cl 7a_100000210295_200000210301 [1,1,0,0,0,0|1,1,0]=4 434 B9R1.2 COc1cccc(c1)F 34a_100000210426_200000210301 [1,1,0,0,0,0|1,1,0]=4 435 B9R1.2 COc1cccc(c1)F 7a_100000210426_200000210301 [1,1,0,0,0,0|1,1,0]=4 436 B9R1.2 COc1cccc(c1)I 34a_100000211634_200000210301 [1,1,0,0,0,0|1,1,0]=4 437 B9R1.2 COc1cccc(c1)I 7a_100000211634_200000210301 [1,1,0,0,0,0|1,1,0]=4 438 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [1,1,0,0,0,0|1,1,0]=4 439 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [1,1,0,0,0,0|1,1,0]=4 440 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [1,1,0,0,0,0|1,0,1]=4 441 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [1,1,0,0,0,0|1,0,1]=4 442 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [1,1,0,0,0,0|1,0,1]=4 443 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [1,1,0,0,0,0|1,0,1]=4 444 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [1,1,0,0,0,0|1,0,1]=4 445 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [1,1,0,0,0,0|1,0,1]=4 446 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [1,1,0,0,0,0|1,0,1]=4 447 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [1,1,0,0,0,0|1,0,1]=4 448 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [1,1,0,0,0,0|1,0,1]=4 449 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [1,1,0,0,0,0|1,0,1]=4 450 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [1,1,0,0,0,0|1,0,1]=4 451 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [1,1,0,0,0,0|1,0,1]=4 452 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [1,1,0,0,0,0|1,0,1]=4 453 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [1,1,0,0,0,0|1,0,1]=4 454 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [1,1,0,0,0,0|1,1,0]=4 457 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [1,1,0,0,0,0|1,1,0]=4 458 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [1,1,0,0,0,0|1,0,1]=4 459 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [1,1,0,0,0,0|1,0,1]=4 460 B9R1.2 N#Cc1cccc(c1)O 271570a_203496583355_100000189340 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.2 NNc1cccc(c1)O 271570a_203496583355_100000217339 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [1,1,0,0,0,0|1,0,0]=3 465 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [1,1,0,0,0,0|1,0,0]=3 470 B9R1.2 OCc1cccc(n1)O 271570a_203496583355_100000694195 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.2 OCc1ccnc(c1)O 271570a_203496583355_100009814636 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.2 OCc1cncc(c1)O 271570a_203496583355_100011259137 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.2 [13CH3]Oc1cccc(c1)Br 34a_100000210342_200025704644 [1,1,0,0,0,0|1,1,0]=4 480 B9R1.2 [13CH3]Oc1cccc(c1)Br 7a_100000210342_200025704644 [1,1,0,0,0,0|1,1,0]=4 481 B9R1.2 [13CH3]Oc1cccc(c1)Cl 34a_100000210295_200025704644 [1,1,0,0,0,0|1,1,0]=4 482 B9R1.2 [13CH3]Oc1cccc(c1)Cl 7a_100000210295_200025704644 [1,1,0,0,0,0|1,1,0]=4 483 B9R1.2 [13CH3]Oc1cccc(c1)F 34a_100000210426_200025704644 [1,1,0,0,0,0|1,1,0]=4 484 B9R1.2 [13CH3]Oc1cccc(c1)F 7a_100000210426_200025704644 [1,1,0,0,0,0|1,1,0]=4 485 B9R1.2 [13CH3]Oc1cccc(c1)I 34a_100000211634_200025704644 [1,1,0,0,0,0|1,1,0]=4 486 B9R1.2 [13CH3]Oc1cccc(c1)I 7a_100000211634_200025704644 [1,1,0,0,0,0|1,1,0]=4 487 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [1,1,0,0,0,0|1,1,0]=4 488 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [1,1,0,0,0,0|1,0,1]=4 489 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [1,1,0,0,0,0|1,0,1]=4 490 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [1,1,0,0,0,0|1,0,1]=4 491 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [1,1,0,0,0,0|1,0,1]=4 492 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [1,1,0,0,0,0|1,0,1]=4 493 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [1,1,0,0,0,0|1,0,1]=4 494 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [1,1,0,0,0,0|1,0,1]=4 495 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [1,1,0,0,0,0|1,0,1]=4 496 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [1,1,0,0,0,0|1,0,1]=4 497 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [1,1,0,0,0,0|1,0,1]=4 498 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [1,1,0,0,0,0|1,0,1]=4 499 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,1,0,0,0,0|1,1,0]=4 503 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,1,0,0,0,0|1,1,0]=4 504 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,1,0,0,0,0|1,0,1]=4 505 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,1,0,0,0,0|1,0,1]=4 506 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,1,0,0,0,0|1,0,0]=3 514 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,1,0,0,0,0|1,0,0]=3 515 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,1,0,0,0,0|1,0,0]=3 516 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,1,0,0,0,0|1,0,1]=4 519 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,1,0,0,0,0|1,0,1]=4 520 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,1,0,0,0,0|1,1,0]=4 522 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,1,0,0,0,0|1,1,0]=4 523 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,1,0,0,0,0|1,0,1]=4 524 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,1,0,0,0,0|1,0,1]=4 525 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,1,0,0,0,0|1,0,0]=3 528 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,1,0,0,0,0|1,0,0]=3 529 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,1,0,0,0,0|1,0,1]=4 530 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,1,0,0,0,0|1,0,1]=4 531 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [1,1,0,0,0,0|2,0,0]=4 543 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [1,1,0,0,0,0|1,1,0]=4 546 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [1,1,0,0,0,0|1,1,0]=4 547 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [1,1,0,0,0,0|1,1,0]=4 548 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [1,1,0,0,0,0|1,1,0]=4 549 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [1,1,0,0,0,0|1,1,0]=4 550 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [1,1,0,0,0,0|1,1,0]=4 551 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [1,1,0,0,0,0|1,1,0]=4 552 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [1,1,0,0,0,0|1,1,0]=4 553 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [1,1,0,0,0,0|1,1,0]=4 554 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [1,1,0,0,0,0|1,1,0]=4 555 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [1,1,0,0,0,0|1,1,0]=4 556 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [1,1,0,0,0,0|1,1,0]=4 557 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [1,1,0,0,0,0|1,1,0]=4 558 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [1,1,0,0,0,0|1,0,1]=4 559 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [1,1,0,0,0,0|1,0,1]=4 560 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [1,1,0,0,0,0|1,0,1]=4 561 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [1,1,0,0,0,0|1,0,1]=4 562 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [1,1,0,0,0,0|1,0,1]=4 563 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [1,1,0,0,0,0|1,0,1]=4 564 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [1,1,0,0,0,0|1,0,1]=4 565 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [1,1,0,0,0,0|1,0,1]=4 566 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [1,1,0,0,0,0|1,0,1]=4 567 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [1,1,0,0,0,0|1,0,1]=4 568 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [1,1,0,0,0,0|1,0,1]=4 569 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [1,1,0,0,0,0|1,0,1]=4 570 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [1,1,0,0,0,0|1,0,1]=4 571 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [1,1,0,0,0,0|1,1,0]=4 573 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [1,1,0,0,0,0|1,1,0]=4 574 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [1,1,0,0,0,0|1,0,1]=4 575 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [1,1,0,0,0,0|1,0,1]=4 576 B9R1.15 N#Cc1ccccc1O 271570a_203496583355_100000188569 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.15 NNc1ccccc1O 271570a_203496583355_100000241748 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [1,1,0,0,0,0|1,0,0]=3 580 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.15 O=Cc1ccncc1O 271570a_203496583355_100011934409 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [1,1,0,0,0,0|1,0,0]=3 585 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.15 OCc1ccncc1O 271570a_203496583355_100009873359 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.15 OCc1cnccc1O 271570a_203496583355_100000117392 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [1,1,0,0,0,0|1,1,0]=4 595 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [1,1,0,0,0,0|1,1,0]=4 596 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [1,1,0,0,0,0|1,1,0]=4 597 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [1,1,0,0,0,0|1,1,0]=4 598 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [1,1,0,0,0,0|1,1,0]=4 599 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [1,1,0,0,0,0|1,1,0]=4 600 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [1,1,0,0,0,0|1,1,0]=4 601 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [1,1,0,0,0,0|1,1,0]=4 602 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [1,1,0,0,0,0|1,1,0]=4 603 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [1,1,0,0,0,0|1,1,0]=4 604 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [1,1,0,0,0,0|1,0,1]=4 605 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [1,1,0,0,0,0|1,0,1]=4 606 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [1,1,0,0,0,0|1,0,1]=4 607 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [1,1,0,0,0,0|1,0,1]=4 608 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [1,1,0,0,0,0|1,0,1]=4 609 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [1,1,0,0,0,0|1,0,1]=4 610 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [1,1,0,0,0,0|1,0,1]=4 611 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [1,1,0,0,0,0|1,0,1]=4 612 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [1,1,0,0,0,0|1,0,1]=4 613 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [1,1,0,0,0,0|1,0,1]=4 614 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,1,0,0,0,1|2,0,0]=4 616 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,1,0,0,0,1|2,0,0]=4 617 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,1,0,0,0,1|2,0,0]=4 618 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,1,0,0,0,1|2,0,0]=4 619 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,1,0,0,0,1|2,0,0]=4 620 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,1,0,0,0,1|2,0,0]=4 621 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,1,0,0,0,1|2,0,0]=4 623 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,1,0,0,0,1|2,0,0]=4 624 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,1,0,0,0,1|2,0,0]=4 626 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,1,0,0,0,1|2,0,0]=4 627 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,1,0,0,0,1|2,0,0]=4 629 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,1,0,0,0,1|2,0,0]=4 630 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,1,0,0,0,1|2,0,0]=4 631 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,1,0,0,0,1|2,0,0]=4 632 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,1,0,0,0,1|2,0,0]=4 633 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,1,0,0,0,1|2,0,0]=4 634 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,1,0,0,0,1|2,0,0]=4 636 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,1,0,0,0,1|2,0,0]=4 637 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,1,0,0,0,1|2,0,0]=4 638 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,1,0,0,0,1|2,0,0]=4 639 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,1,0,0,0,1|2,0,0]=4 640 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,1,0,0,0,1|2,0,0]=4 641 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,1,0,0,0,1|2,0,0]=4 642 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,1,0,0,0,1|2,0,0]=4 643 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,1,0,0,0,1|2,0,0]=4 644 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,1,0,0,0,1|2,0,0]=4 645 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,1,0,0,0,1|2,0,0]=4 646 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,1,0,0,0,1|2,0,0]=4 647 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,1,0,0,0,1|2,0,0]=4 648 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,1,0,0,0,1|2,0,0]=4 649 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,1,0,0,0,1|2,0,0]=4 650 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,1,0,0,0,1|2,0,0]=4 651 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,1,0,0,0,1|2,0,0]=4 652 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,1,0,0,0,1|2,0,0]=4 653 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,1,0,0,0,1|2,0,0]=4 654 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,1,0,0,0,1|2,0,0]=4 655 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,1,0,0,0,1|2,0,0]=4 656 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,1,0,0,0,1|2,0,0]=4 657 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,1,0,0,0,1|2,0,0]=4 658 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,1,0,0,0,1|2,0,0]=4 659 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,1,0,0,0,1|2,0,0]=4 660 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,1,0,0,0,1|2,0,0]=4 661 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,1,0,0,0,1|2,0,0]=4 662 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,1,0,0,0,1|2,0,0]=4 663 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,1,0,0,0,1|2,0,0]=4 664 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,1,0,0,0,1|2,0,0]=4 665 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,1,0,0,0,1|2,0,0]=4 666 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,1,0,0,0,1|2,0,0]=4 667 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,1,0,0,0,1|2,0,0]=4 668 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,1,0,0,0,1|2,0,0]=4 669 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,1,0,0,0,1|2,0,0]=4 670 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,1,0,0,0,1|2,0,0]=4 671 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,1,0,0,0,1|2,0,0]=4 672 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,1,0,0,0,1|2,0,0]=4 673 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,1,0,0,0,1|2,0,0]=4 674 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,1,0,0,0,1|2,0,0]=4 675 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,1,0,0,0,1|2,0,0]=4 676 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,1,0,0,0,1|2,0,0]=4 677 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,1,0,0,0,1|2,0,0]=4 678 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,1,0,0,0,1|2,0,0]=4 679 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,1,0,0,0,1|2,0,0]=4 680 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,1,0,0,0,1|2,0,0]=4 681 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,1,0,0,0,1|2,0,0]=4 682 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,1,0,0,0,1|2,0,0]=4 683 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,1,0,0,0,1|2,0,0]=4 684 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,1,0,0,0,1|2,0,0]=4 685 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,1,0,0,0,1|2,0,0]=4 686 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,1,0,0,0,1|2,0,0]=4 687 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,1,0,0,0,1|2,0,0]=4 688 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,1,0,0,0,1|2,0,0]=4 689 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,1,0,0,0,1|2,0,0]=4 690 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,1,0,0,0,1|2,0,0]=4 691 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,1,0,0,0,1|2,0,0]=4 692 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,1,0,0,0,1|2,0,0]=4 693 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,1,0,0,0,1|1,0,0]=3 694 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,1,0,0,0,1|2,0,0]=4 695 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,1,0,0,0,1|2,0,0]=4 696 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [0,1,0,0,0,1|2,0,0]=4 697 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,1,0,0,0,1|1,0,0]=3 698 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,1,0,0,0,1|1,0,0]=3 699 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,1,0,0,0,1|2,0,0]=4 700 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,1,0,0,0,1|2,0,0]=4 701 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,1,0,0,0,1|2,0,0]=4 702 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,1,0,0,0,1|2,0,0]=4 703 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,1,0,0,0,1|2,0,0]=4 704 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,1,0,0,0,1|2,0,0]=4 705 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,1,0,0,0,1|2,0,0]=4 706 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,1,0,0,0,1|2,0,0]=4 707 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,1,0,0,0,1|2,0,0]=4 708 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,1,0,0,0,1|2,0,0]=4 709 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,1,0,0,0,1|2,0,0]=4 710 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,1,0,0,0,1|2,0,0]=4 711 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,1,0,0,0,1|2,0,0]=4 712 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,1,0,0,0,1|2,0,0]=4 713 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,1,0,0,0,1|2,0,0]=4 714 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,1,0,0,0,1|2,0,0]=4 715 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,1,0,0,0,1|2,0,0]=4 716 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,1,0,0,0,1|2,0,0]=4 717 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,1,0,0,0,1|2,0,0]=4 718 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,1,0,0,0,1|2,0,0]=4 719 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,1,0,0,0,1|2,0,0]=4 720 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,1,0,0,0,1|2,0,0]=4 721 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,1,0,0,0,1|2,0,0]=4 722 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,1,0,0,0,1|2,0,0]=4 723 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,1,0,0,0,1|2,0,0]=4 724 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,1,0,0,0,1|2,0,0]=4 725 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,1,0,0,0,1|2,0,0]=4 726 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,1,0,0,0,1|2,0,0]=4 727 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,1,0,0,0,1|2,0,0]=4 728 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,1,0,0,0,1|2,0,0]=4 729 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,1,0,0,0,1|2,0,0]=4 730 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,1,0,0,0,1|2,0,0]=4 731 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,1,0,0,0,1|2,0,0]=4 732 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [0,1,0,0,0,1|2,0,0]=4 733 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [0,1,0,0,0,1|2,0,0]=4 734 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,1,0,0,0,1|2,0,0]=4 735 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,1,0,0,0,1|2,0,0]=4 736 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,1,0,0,0,1|2,0,0]=4 737 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,1,0,0,0,1|2,0,0]=4 738 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,1,0,0,0,1|2,0,0]=4 739 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,1,0,0,0,1|2,0,0]=4 740 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,1,0,0,0,1|2,0,0]=4 741 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,1,0,0,0,1|2,0,0]=4 742 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,1,0,0,0,1|2,0,0]=4 743 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,1,0,0,0,1|2,0,0]=4 744 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,1,0,0,0,1|2,0,0]=4 745 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,1,0,0,0,1|2,0,0]=4 746 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,1,0,0,0,1|2,0,0]=4 747 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,1,0,0,0,1|2,0,0]=4 748 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,1,0,0,0,1|2,0,0]=4 749 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,1,0,0,0,1|2,0,0]=4 750 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,1,0,0,0,1|2,0,0]=4 751 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,1,0,0,0,1|2,0,0]=4 752 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [0,1,0,0,0,1|2,0,0]=4 753 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [0,1,0,0,0,1|2,0,0]=4 754 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [0,1,0,0,0,1|2,0,0]=4 755 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [0,1,0,0,0,1|2,0,0]=4 756 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,1,0,0,0,1|2,0,0]=4 757 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,1,0,0,0,1|2,0,0]=4 758 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,1,0,0,0,1|2,0,0]=4 759 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,1,0,0,0,1|2,0,0]=4 760 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,1,0,0,0,1|2,0,0]=4 761 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,1,0,0,0,1|2,0,0]=4 762 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,1,0,0,0,1|2,0,0]=4 763 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [0,1,0,0,0,1|2,0,0]=4 764 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [0,1,0,0,0,1|2,0,0]=4 765 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [0,1,0,0,0,1|2,0,0]=4 766 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [0,1,0,0,0,1|2,0,0]=4 767 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [0,1,0,0,0,1|2,0,0]=4 768 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [0,1,0,0,0,1|2,0,0]=4 769 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [0,1,0,0,0,1|2,0,0]=4 770 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [0,1,0,0,0,1|2,0,0]=4 771 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,1,0,0,0,1|2,0,0]=4 772 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,1,0,0,0,1|2,0,0]=4 773 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,1,0,0,0,1|2,0,0]=4 774 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,1,0,0,0,1|2,0,0]=4 775 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,1,0,0,0,1|2,0,0]=4 776 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,1,0,0,0,1|2,0,0]=4 777 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [0,1,0,0,0,1|2,0,0]=4 778 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [0,1,0,0,0,1|2,0,0]=4 779 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,1,0,0,0,1|2,0,0]=4 780 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,1,0,0,0,1|2,0,0]=4 781 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,1,0,0,0,1|2,0,0]=4 782 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,1,0,0,0,1|2,0,0]=4 783 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,1,0,0,0,1|2,0,0]=4 784 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.3 C=Cc1ccc(cc1)B(O)O 271570a_100011290941_100000754493 [0,2,0,0,0,0|1,0,1]=4 787 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [0,2,0,0,0,0|2,0,0]=4 790 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.3 C=Cc1ccc(cc1)C(C)O 271570a_100011290941_100000745893 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.3 C=Cc1ccc(cc1)S(=O)C 271570a_100011290941_100009816266 [0,2,0,0,0,0|1,0,0]=3 793 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [0,2,0,0,0,0|2,0,0]=4 794 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [0,2,0,0,0,0|2,0,0]=4 795 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [0,2,0,0,0,0|2,0,0]=4 796 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [0,2,0,0,0,0|2,0,0]=4 799 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [0,2,0,0,0,0|2,0,0]=4 801 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_100000745893_200025704644 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000745893 [0,2,0,0,0,0|2,0,0]=4 805 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [0,2,0,0,0,0|2,0,0]=4 806 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [0,2,0,0,0,0|2,0,0]=4 807 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [0,2,0,0,0,0|2,0,0]=4 808 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [0,2,0,0,0,0|2,0,0]=4 810 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [0,2,0,0,0,0|2,0,0]=4 811 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000210301 [0,2,0,0,0,0|1,0,1]=4 812 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200000210301 [0,2,0,0,0,0|1,0,1]=4 813 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [0,2,0,0,0,0|2,0,0]=4 814 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [0,2,0,0,0,0|2,0,0]=4 815 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [0,2,0,0,0,0|2,0,0]=4 816 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [0,2,0,0,0,0|2,0,0]=4 817 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [0,2,0,0,0,0|2,0,0]=4 818 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [0,2,0,0,0,0|2,0,0]=4 819 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [0,2,0,0,0,0|2,0,0]=4 820 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [0,2,0,0,0,0|2,0,0]=4 821 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [0,2,0,0,0,0|1,0,0]=3 822 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [0,2,0,0,0,0|1,0,0]=3 823 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [0,2,0,0,0,0|1,0,1]=4 824 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [0,2,0,0,0,0|1,0,1]=4 825 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [0,2,0,0,0,0|1,0,0]=3 826 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [0,2,0,0,0,0|1,0,0]=3 827 B11R1.3 CS(=O)c1ccc(cc1)S[13CH3] 62a_100009816266_200025704644 [0,2,0,0,0,0|1,0,0]=3 828 B11R1.3 CSc1ccc(cc1)B(O)O 62a_100000754493_200000210301 [0,2,0,0,0,0|1,0,1]=4 829 B11R1.3 CSc1ccc(cc1)B(O)O 62a_200000210301_100000754493 [0,2,0,0,0,0|1,0,1]=4 830 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [0,2,0,0,0,0|2,0,0]=4 831 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [0,2,0,0,0,0|2,0,0]=4 832 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [0,2,0,0,0,0|2,0,0]=4 833 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [0,2,0,0,0,0|2,0,0]=4 834 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [0,2,0,0,0,0|2,0,0]=4 835 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [0,2,0,0,0,0|2,0,0]=4 836 B11R1.3 CSc1ccc(cc1)C(C)O 62a_100000745893_200000210301 [0,2,0,0,0,0|2,0,0]=4 837 B11R1.3 CSc1ccc(cc1)C(C)O 62a_200000210301_100000745893 [0,2,0,0,0,0|2,0,0]=4 838 B11R1.3 CSc1ccc(cc1)S(=O)C 62a_100009816266_200000210301 [0,2,0,0,0,0|1,0,0]=3 839 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [0,2,0,0,0,0|2,0,0]=4 840 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [0,2,0,0,0,0|2,0,0]=4 841 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [0,2,0,0,0,0|2,0,0]=4 842 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200025704644 [0,2,0,0,0,0|1,0,1]=4 843 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200025704644 [0,2,0,0,0,0|1,0,1]=4 844 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [0,2,0,0,0,0|2,0,0]=4 845 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [0,2,0,0,0,0|2,0,0]=4 846 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [0,2,0,0,0,0|1,0,1]=4 847 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [0,2,0,0,0,0|1,0,1]=4 848 B11R1.3 [13CH3]Sc1ccc(cc1)B(O)O 62a_100000754493_200025704644 [0,2,0,0,0,0|1,0,1]=4 849 B11R1.3 [13CH3]Sc1ccc(cc1)B(O)O 62a_200025704644_100000754493 [0,2,0,0,0,0|1,0,1]=4 850 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [0,2,0,0,0,0|2,0,0]=4 851 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [0,2,0,0,0,0|2,0,0]=4 852 B11R1.19 CC(C)(O)c1ccc(cc1)O 271570a_203496583355_100000753367 [0,2,0,0,0,0|2,0,0]=4 853 B11R1.19 CS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765142 [0,2,0,0,0,0|0,0,2]=4 854 B11R1.19 NS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000701559 [0,2,0,0,0,0|0,0,2]=4 855 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [0,2,0,0,0,0|2,0,0]=4 856 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [0,2,0,0,0,0|2,0,0]=4 857 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [0,2,0,0,0,0|2,0,0]=4 858 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [0,2,0,0,0,0|2,0,0]=4 859 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [0,2,0,0,0,0|2,0,0]=4 862 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [0,2,0,0,0,0|2,0,0]=4 863 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [0,2,0,0,0,0|2,0,0]=4 864 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [0,2,0,0,0,0|2,0,0]=4 865 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [0,2,0,0,0,0|2,0,0]=4 866 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [0,2,0,0,0,0|2,0,0]=4 867 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [0,2,0,0,0,0|2,0,0]=4 868 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [0,2,0,0,0,0|2,0,0]=4 870 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [0,2,0,0,0,0|2,0,0]=4 871 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [0,2,0,0,0,0|2,0,0]=4 874 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [0,2,0,0,0,0|2,0,0]=4 875 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [0,2,0,0,0,0|2,0,0]=4 876 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [0,2,0,0,0,0|2,0,0]=4 877 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [0,2,0,0,0,0|2,0,0]=4 878 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [0,2,0,0,0,0|2,0,0]=4 881 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [0,2,0,0,0,0|2,0,0]=4 882 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [0,2,0,0,0,0|2,0,0]=4 883 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [0,2,0,0,0,0|2,0,0]=4 884 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [0,2,0,0,0,0|2,0,0]=4 885 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [0,2,0,0,0,0|2,0,0]=4 886 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [0,2,0,0,0,0|2,0,0]=4 887 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [0,2,0,0,0,0|2,0,0]=4 888 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [0,2,0,0,0,0|2,0,0]=4 889 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [0,2,0,0,0,0|2,0,0]=4 890 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [0,2,0,0,0,0|2,0,0]=4 891 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [0,2,0,0,0,0|2,0,0]=4 892 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [0,2,0,0,0,0|2,0,0]=4 893 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [0,2,0,0,0,0|2,0,0]=4 894 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [0,2,0,0,0,0|2,0,0]=4 895 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [0,2,0,0,0,0|2,0,0]=4 896 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [0,2,0,0,0,0|2,0,0]=4 897 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [0,2,0,0,0,0|2,0,0]=4 898 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [0,2,0,0,0,0|2,0,0]=4 899 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [0,2,0,0,0,0|2,0,0]=4 900 B11R1.21 CC(O)c1ccc(c(c1)O)F 271570a_203496583355_100011191524 [0,2,0,0,0,0|2,0,0]=4 901 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [0,2,0,0,0,0|2,0,0]=4 902 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [0,2,0,0,0,0|2,0,0]=4 903 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [0,2,0,0,0,0|2,0,0]=4 904 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [0,2,0,0,0,0|2,0,0]=4 905 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [0,2,0,0,0,0|1,0,1]=4 906 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [0,2,0,0,0,0|2,0,0]=4 907 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [0,2,0,0,0,0|2,0,0]=4 908 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [0,2,0,0,0,0|2,0,0]=4 909 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [0,2,0,0,0,0|2,0,0]=4 910 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [0,2,0,0,0,0|2,0,0]=4 911 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [0,2,0,0,0,0|2,0,0]=4 912 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [0,2,0,0,0,0|2,0,0]=4 913 B11R1.21 Cc1ccc(cc1O)B(O)O 271570a_203496583355_200010223333 [0,2,0,0,0,0|1,0,1]=4 914 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [0,2,0,0,0,0|2,0,0]=4 915 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [0,2,0,0,0,0|2,0,0]=4 916 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [0,2,0,0,0,0|2,0,0]=4 917 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [0,2,0,0,0,0|2,0,0]=4 918 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [0,2,0,0,0,0|2,0,0]=4 919 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [0,2,0,0,0,0|2,0,0]=4 920 B11R1.21 OB(O)c1ccc(c(c1)F)O 271570a_203496583355_100009813512 [0,2,0,0,0,0|1,0,1]=4 921 B11R1.21 OB(O)c1ccc(c(c1)O)F 271570a_203496583355_100010175509 [0,2,0,0,0,0|1,0,1]=4 922 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [0,2,0,0,0,0|2,0,0]=4 923 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [0,2,0,0,0,0|2,0,0]=4 924 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [0,2,0,0,0,0|2,0,0]=4 925 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [0,2,0,0,0,0|2,0,0]=4 926 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [0,2,0,0,0,0|2,0,0]=4 927 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [0,2,0,0,0,0|2,0,0]=4 928 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [0,2,0,0,0,0|2,0,0]=4 929 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [0,2,0,0,0,0|2,0,0]=4 930 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [0,2,0,0,0,0|2,0,0]=4 931 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [0,2,0,0,0,0|2,0,0]=4 932 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [0,2,0,0,0,0|2,0,0]=4 933 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [0,2,0,0,0,0|2,0,0]=4 934 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [0,2,0,0,0,0|2,0,0]=4 935 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [0,2,0,0,0,0|2,0,0]=4 936 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [0,2,0,0,0,0|2,0,0]=4 937 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [0,2,0,0,0,0|2,0,0]=4 938 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [0,2,0,0,0,0|2,0,0]=4 939 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [0,2,0,0,0,0|2,0,0]=4 940 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [0,2,0,0,0,0|2,0,0]=4 941 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [0,2,0,0,0,0|2,0,0]=4 942 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [0,2,0,0,0,0|2,0,0]=4 943 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [0,2,0,0,0,0|2,0,0]=4 944 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [0,2,0,0,0,0|2,0,0]=4 945 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [0,2,0,0,0,0|2,0,0]=4 946 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [0,2,0,0,0,0|2,0,0]=4 947 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [0,2,0,0,0,0|2,0,0]=4 948 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [0,2,0,0,0,0|2,0,0]=4 949 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [0,2,0,0,0,0|2,0,0]=4 950 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [0,2,0,0,0,0|2,0,0]=4 951 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [0,2,0,0,0,0|2,0,0]=4 952 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [0,2,0,0,0,0|2,0,0]=4 953 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,2,0,0,0,0|2,0,0]=4 954 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [0,2,0,0,0,0|2,0,0]=4 955 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [0,2,0,0,0,0|2,0,0]=4 956 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [0,2,0,0,0,0|2,0,0]=4 957 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [0,2,0,0,0,0|2,0,0]=4 958 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [0,2,0,0,0,0|2,0,0]=4 959 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [0,2,0,0,0,0|2,0,0]=4 960 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [0,2,0,0,0,0|2,0,0]=4 961 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [0,2,0,0,0,0|2,0,0]=4 962 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [0,2,0,0,0,0|2,0,0]=4 963 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [0,2,0,0,0,0|2,0,0]=4 964 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,2,0,0,0,0|2,0,0]=4 965 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,2,0,0,0,0|2,0,0]=4 966 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,2,0,0,0,0|2,0,0]=4 967 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,2,0,0,0,0|2,0,0]=4 968 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [0,2,0,0,0,0|2,0,0]=4 969 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [0,2,0,0,0,0|2,0,0]=4 970 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [0,2,0,0,0,0|2,0,0]=4 971 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [0,2,0,0,0,0|2,0,0]=4 972 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [0,2,0,0,0,0|2,0,0]=4 973 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [0,2,0,0,0,0|2,0,0]=4 974 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [0,2,0,0,0,0|2,0,0]=4 975 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [0,2,0,0,0,0|2,0,0]=4 976 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [0,2,0,0,0,0|2,0,0]=4 977 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [0,2,0,0,0,0|2,0,0]=4 978 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [0,2,0,0,0,0|2,0,0]=4 979 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [0,2,0,0,0,0|2,0,0]=4 980 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [0,2,0,0,0,0|2,0,0]=4 981 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [0,2,0,0,0,0|2,0,0]=4 982 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [0,2,0,0,0,0|2,0,0]=4 983 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,2,0,0,0,0|1,0,0]=3 984 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,2,0,0,0,0|2,0,0]=4 985 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [0,2,0,0,0,0|2,0,0]=4 986 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [0,2,0,0,0,0|2,0,0]=4 987 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [0,2,0,0,0,0|2,0,0]=4 988 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [0,2,0,0,0,0|2,0,0]=4 989 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [0,2,0,0,0,0|2,0,0]=4 990 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [0,2,0,0,0,0|2,0,0]=4 991 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [0,2,0,0,0,0|2,0,0]=4 992 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [0,2,0,0,0,0|2,0,0]=4 993 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [0,2,0,0,0,0|2,0,0]=4 994 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [0,2,0,0,0,0|2,0,0]=4 995 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [0,2,0,0,0,0|2,0,0]=4 996 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [0,2,0,0,0,0|2,0,0]=4 997 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [0,2,0,0,0,0|2,0,0]=4 998 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [0,2,0,0,0,0|2,0,0]=4 999 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [0,2,0,0,0,0|2,0,0]=4 1000 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [0,2,0,0,0,0|2,0,0]=4 1001 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [0,2,0,0,0,0|2,0,0]=4 1002 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [0,2,0,0,0,0|2,0,0]=4 1003 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [0,2,0,0,0,0|2,0,0]=4 1004 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [0,2,0,0,0,0|2,0,0]=4 1005 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [0,2,0,0,0,0|2,0,0]=4 1006 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [0,2,0,0,0,0|2,0,0]=4 1007 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [0,2,0,0,0,0|2,0,0]=4 1008 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [0,2,0,0,0,0|2,0,0]=4 1009 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [0,2,0,0,0,0|2,0,0]=4 1010 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [0,2,0,0,0,0|2,0,0]=4 1011 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [0,2,0,0,0,0|2,0,0]=4 1012 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [0,2,0,0,0,0|2,0,0]=4 1013 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [0,2,0,0,0,0|2,0,0]=4 1014 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,2,0,0,0,0|1,0,0]=3 1015 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,2,0,0,0,0|1,0,1]=4 1016 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [0,2,0,0,0,0|1,0,1]=4 1017 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [0,2,0,0,0,0|2,0,0]=4 1018 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [0,2,0,0,0,0|2,0,0]=4 1019 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [0,2,0,0,0,0|2,0,0]=4 1020 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [0,2,0,0,0,0|2,0,0]=4 1021 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [0,2,0,0,0,0|2,0,0]=4 1022 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,2,0,0,0,0|2,0,0]=4 1023 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [0,2,0,0,0,0|2,0,0]=4 1024 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [0,2,0,0,0,0|2,0,0]=4 1025 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [0,2,0,0,0,0|2,0,0]=4 1026 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [0,2,0,0,0,0|2,0,0]=4 1027 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [0,2,0,0,0,0|2,0,0]=4 1028 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,2,0,0,0,0|2,0,0]=4 1029 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,2,0,0,0,0|2,0,0]=4 1030 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [0,2,0,0,0,0|2,0,0]=4 1031 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [0,2,0,0,0,0|2,0,0]=4 1032 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,2,0,0,0,0|2,0,0]=4 1033 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,2,0,0,0,0|2,0,0]=4 1034 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [0,2,0,0,0,0|2,0,0]=4 1035 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,2,0,0,0,0|2,0,0]=4 1036 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [0,2,0,0,0,0|2,0,0]=4 1037 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [0,2,0,0,0,0|2,0,0]=4 1038 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [0,2,0,0,0,0|2,0,0]=4 1039 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [0,2,0,0,0,0|2,0,0]=4 1040 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [0,2,0,0,0,0|2,0,0]=4 1041 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,2,0,0,0,0|2,0,0]=4 1042 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [0,2,0,0,0,0|2,0,0]=4 1043 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [0,2,0,0,0,0|2,0,0]=4 1044 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [0,2,0,0,0,0|2,0,0]=4 1045 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [0,2,0,0,0,0|2,0,0]=4 1046 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [0,2,0,0,0,0|2,0,0]=4 1047 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [0,2,0,0,0,0|2,0,0]=4 1048 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,2,0,0,0,0|2,0,0]=4 1049 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [0,2,0,0,0,0|2,0,0]=4 1050 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [0,2,0,0,0,0|2,0,0]=4 1051 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [0,2,0,0,0,0|2,0,0]=4 1052 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [0,2,0,0,0,0|2,0,0]=4 1053 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,2,0,0,0,0|2,0,0]=4 1054 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,2,0,0,0,0|2,0,0]=4 1055 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,2,0,0,0,0|2,0,0]=4 1056 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [0,2,0,0,0,0|2,0,0]=4 1057 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [0,2,0,0,0,0|2,0,0]=4 1058 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [0,2,0,0,0,0|2,0,0]=4 1059 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [0,2,0,0,0,0|2,0,0]=4 1060 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [0,2,0,0,0,0|2,0,0]=4 1061 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [0,2,0,0,0,0|2,0,0]=4 1062 B11R1.166 Cc1cc(ccc1B(O)O)O 271570a_203496583355_100010074995 [0,2,0,0,0,0|1,0,1]=4 1063 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [0,2,0,0,0,0|2,0,0]=4 1064 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [0,2,0,0,0,0|2,0,0]=4 1065 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,2,0,0,0,0|2,0,0]=4 1066 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [0,2,0,0,0,0|2,0,0]=4 1067 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [0,2,0,0,0,0|2,0,0]=4 1068 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,2,0,0,0,0|2,0,0]=4 1069 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,2,0,0,0,0|2,0,0]=4 1070 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,2,0,0,0,0|2,0,0]=4 1071 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,2,0,0,0,0|2,0,0]=4 1072 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,2,0,0,0,0|2,0,0]=4 1073 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,2,0,0,0,0|2,0,0]=4 1074 B11R1.166 Cc1ccc(c(c1)O)B(O)O 271570a_203496583355_200011068827 [0,2,0,0,0,0|1,0,1]=4 1075 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,2,0,0,0,0|2,0,0]=4 1076 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [0,2,0,0,0,0|2,0,0]=4 1077 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [0,2,0,0,0,0|2,0,0]=4 1078 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [0,2,0,0,0,0|2,0,0]=4 1079 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [0,2,0,0,0,0|2,0,0]=4 1080 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [0,2,0,0,0,0|2,0,0]=4 1081 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [0,2,0,0,0,0|2,0,0]=4 1082 B11R1.166 OB(O)c1ccc(cc1F)O 271570a_203496583355_100009813958 [0,2,0,0,0,0|1,0,1]=4 1083 B11R1.166 OB(O)c1ccc(cc1O)F 271570a_203496583355_100010175514 [0,2,0,0,0,0|1,0,1]=4 1084 B11R1.166 OB(O)c1ccc(cc1O)O 271570a_203496583355_100010158982 [0,2,0,0,0,0|1,0,1]=4 1085 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [0,2,0,0,0,0|2,0,0]=4 1086 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [0,2,0,0,0,0|2,0,0]=4 1087 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [0,2,0,0,0,0|2,0,0]=4 1088 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [0,2,0,0,0,0|2,0,0]=4 1089 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [0,2,0,0,0,0|2,0,0]=4 1090 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [0,2,0,0,0,0|2,0,0]=4 1091 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [0,2,0,0,0,0|2,0,0]=4 1092 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [0,2,0,0,0,0|2,0,0]=4 1093 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [0,2,0,0,0,0|2,0,0]=4 1094 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [0,2,0,0,0,0|2,0,0]=4 1095 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [0,2,0,0,0,0|2,0,0]=4 1096 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [0,2,0,0,0,0|2,0,0]=4 1097 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [0,2,0,0,0,0|2,0,0]=4 1098 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [0,2,0,0,0,0|2,0,0]=4 1100 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [0,2,0,0,0,0|2,0,0]=4 1101 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [0,2,0,0,0,0|2,0,0]=4 1102 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [0,2,0,0,0,0|2,0,0]=4 1103 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [0,2,0,0,0,0|2,0,0]=4 1104 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,2,0,0,0,0|2,0,0]=4 1105 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [0,2,0,0,0,0|2,0,0]=4 1106 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [0,2,0,0,0,0|2,0,0]=4 1107 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [0,2,0,0,0,0|2,0,0]=4 1108 B11R1.7 CC(C)(O[13CH3])c1ccccc1 7a_100000694644_200025704644 [0,2,0,0,0,0|2,0,0]=4 1109 B11R1.7 CNS(=O)(=O)c1ccccc1 270084a_100102657272_100000210345 [0,2,0,0,0,0|0,0,2]=4 1110 B11R1.7 CNS(=O)(=O)c1ccccc1 274078a_100102657272_100000210345 [0,2,0,0,0,0|0,0,2]=4 1111 B11R1.7 CNS(=O)(=O)c1ccccc1 40a_100102657272_100000032697 [0,2,0,0,0,0|0,0,2]=4 1112 B11R1.7 COC(C)(C)c1ccccc1 7a_100000694644_200000210301 [0,2,0,0,0,0|2,0,0]=4 1113 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [0,2,0,0,0,0|2,0,0]=4 1114 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [0,2,0,0,0,0|2,0,0]=4 1115 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [0,2,0,0,0,0|2,0,0]=4 1116 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [0,2,0,0,0,0|2,0,0]=4 1117 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [0,2,0,0,0,0|2,0,0]=4 1118 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [0,2,0,0,0,0|2,0,0]=4 1119 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [0,2,0,0,0,0|2,0,0]=4 1120 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [0,2,0,0,0,0|2,0,0]=4 1121 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [0,2,0,0,0,0|2,0,0]=4 1122 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [0,2,0,0,0,0|2,0,0]=4 1123 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [0,2,0,0,0,0|2,0,0]=4 1124 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [0,2,0,0,0,0|2,0,0]=4 1125 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [0,2,0,0,0,0|2,0,0]=4 1126 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [0,2,0,0,0,0|2,0,0]=4 1127 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [0,2,0,0,0,0|2,0,0]=4 1128 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [0,2,0,0,0,0|2,0,0]=4 1129 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [0,2,0,0,0,0|2,0,0]=4 1130 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [0,2,0,0,0,0|2,0,0]=4 1131 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [0,2,0,0,0,0|2,0,0]=4 1132 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [0,2,0,0,0,0|2,0,0]=4 1133 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [0,2,0,0,0,0|2,0,0]=4 1134 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [0,2,0,0,0,0|2,0,0]=4 1135 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [0,2,0,0,0,0|2,0,0]=4 1136 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [0,2,0,0,0,0|2,0,0]=4 1137 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [0,2,0,0,0,0|2,0,0]=4 1138 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [0,2,0,0,0,0|2,0,0]=4 1139 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,2,0,0,0,0|2,0,0]=4 1140 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,2,0,0,0,0|2,0,0]=4 1141 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,2,0,0,0,0|2,0,0]=4 1142 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,2,0,0,0,0|2,0,0]=4 1143 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,2,0,0,0,0|2,0,0]=4 1144 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,2,0,0,0,0|2,0,0]=4 1145 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,2,0,0,0,0|2,0,0]=4 1146 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,2,0,0,0,0|2,0,0]=4 1147 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,2,0,0,0,0|2,0,0]=4 1148 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,2,0,0,0,0|2,0,0]=4 1149 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,2,0,0,0,0|2,0,0]=4 1150 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [0,2,0,0,0,0|2,0,0]=4 1151 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [0,2,0,0,0,0|2,0,0]=4 1152 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [0,2,0,0,0,0|2,0,0]=4 1153 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [0,2,0,0,0,0|2,0,0]=4 1154 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [0,2,0,0,0,0|2,0,0]=4 1155 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [0,2,0,0,0,0|2,0,0]=4 1156 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [0,2,0,0,0,0|2,0,0]=4 1157 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [0,2,0,0,0,0|2,0,0]=4 1158 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [0,2,0,0,0,0|2,0,0]=4 1159 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,2,0,0,0,0|2,0,0]=4 1160 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,2,0,0,0,0|2,0,0]=4 1161 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,2,0,0,0,0|2,0,0]=4 1162 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,2,0,0,0,0|2,0,0]=4 1163 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,2,0,0,0,0|2,0,0]=4 1164 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,2,0,0,0,0|2,0,0]=4 1165 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,2,0,0,0,0|2,0,0]=4 1166 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,2,0,0,0,0|2,0,0]=4 1167 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,2,0,0,0,0|2,0,0]=4 1168 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [0,2,0,0,0,0|2,0,0]=4 1169 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,2,0,0,0,0|2,0,0]=4 1170 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,2,0,0,0,0|2,0,0]=4 1171 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,2,0,0,0,0|2,0,0]=4 1172 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,2,0,0,0,0|1,0,1]=4 1173 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [0,2,0,0,0,0|2,0,0]=4 1174 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [0,2,0,0,0,0|2,0,0]=4 1175 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,2,0,0,0,0|2,0,0]=4 1176 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,2,0,0,0,0|1,0,1]=4 1177 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,2,0,0,0,0|1,1,0]=4 1178 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,2,0,0,0,0|1,1,0]=4 1179 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,2,0,0,0,0|1,1,0]=4 1180 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,2,0,0,0,0|1,1,0]=4 1181 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,2,0,0,0,0|0,1,0]=3 1182 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,2,0,0,0,0|1,1,0]=4 1183 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,2,0,0,0,0|1,1,0]=4 1184 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [0,2,0,0,0,0|2,0,0]=4 1185 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [0,2,0,0,0,0|2,0,0]=4 1186 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,2,0,0,0,0|2,0,0]=4 1187 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,2,0,0,0,0|2,0,0]=4 1188 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,2,0,0,0,0|1,0,0]=3 1189 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [0,2,0,0,0,0|2,0,0]=4 1190 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [0,2,0,0,0,0|2,0,0]=4 1191 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [0,2,0,0,0,0|2,0,0]=4 1192 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,2,0,0,0,0|2,0,0]=4 1193 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,2,0,0,0,0|2,0,0]=4 1194 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,2,0,0,0,0|1,1,0]=4 1195 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,2,0,0,0,0|1,1,0]=4 1196 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,2,0,0,0,0|1,1,0]=4 1197 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,2,0,0,0,0|1,1,0]=4 1198 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,2,0,0,0,0|0,1,0]=3 1199 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,2,0,0,0,0|1,1,0]=4 1200 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,2,0,0,0,0|1,1,0]=4 1201 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [0,2,0,0,0,0|2,0,0]=4 1202 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [0,2,0,0,0,0|2,0,0]=4 1203 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [0,2,0,0,0,0|2,0,0]=4 1204 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [0,2,0,0,0,0|2,0,0]=4 1205 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [0,2,0,0,0,0|2,0,0]=4 1206 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [0,2,0,0,0,0|2,0,0]=4 1207 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [0,2,0,0,0,0|2,0,0]=4 1208 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [0,2,0,0,0,0|2,0,0]=4 1209 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [0,2,0,0,0,0|2,0,0]=4 1210 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [0,2,0,0,0,0|2,0,0]=4 1211 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [0,2,0,0,0,0|2,0,0]=4 1212 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [0,2,0,0,0,0|2,0,0]=4 1213 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [0,2,0,0,0,0|2,0,0]=4 1214 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [0,2,0,0,0,0|2,0,0]=4 1215 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [0,2,0,0,0,0|2,0,0]=4 1216 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [0,2,0,0,0,0|2,0,0]=4 1217 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [0,2,0,0,0,0|2,0,0]=4 1218 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [0,2,0,0,0,0|2,0,0]=4 1219 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [0,2,0,0,0,0|2,0,0]=4 1220 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [0,2,0,0,0,0|2,0,0]=4 1221 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [0,2,0,0,0,0|2,0,0]=4 1222 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [0,2,0,0,0,0|2,0,0]=4 1223 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [0,2,0,0,0,0|2,0,0]=4 1224 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [0,2,0,0,0,0|2,0,0]=4 1225 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [0,2,0,0,0,0|2,0,0]=4 1226 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [0,2,0,0,0,0|2,0,0]=4 1227 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [0,2,0,0,0,0|2,0,0]=4 1228 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [0,2,0,0,0,0|2,0,0]=4 1229 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [0,2,0,0,0,0|2,0,0]=4 1230 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [0,2,0,0,0,0|2,0,0]=4 1231 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [0,2,0,0,0,0|2,0,0]=4 1232 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [0,2,0,0,0,0|2,0,0]=4 1233 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [0,2,0,0,0,0|2,0,0]=4 1234 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [0,2,0,0,0,0|2,0,0]=4 1235 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [0,2,0,0,0,0|2,0,0]=4 1236 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [0,2,0,0,0,0|2,0,0]=4 1237 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [0,2,0,0,0,0|2,0,0]=4 1238 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [0,2,0,0,0,0|2,0,0]=4 1239 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [0,2,0,0,0,0|2,0,0]=4 1240 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [0,2,0,0,0,0|2,0,0]=4 1241 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,2,0,0,0,0|1,0,0]=3 1242 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [0,2,0,0,0,0|2,0,0]=4 1243 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [0,2,0,0,0,0|2,0,0]=4 1244 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [0,2,0,0,0,0|2,0,0]=4 1245 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [0,2,0,0,0,0|2,0,0]=4 1246 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [0,2,0,0,0,0|2,0,0]=4 1247 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [0,2,0,0,0,0|2,0,0]=4 1248 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [0,2,0,0,0,0|2,0,0]=4 1249 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [0,2,0,0,0,0|2,0,0]=4 1250 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [0,2,0,0,0,0|2,0,0]=4 1251 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [0,2,0,0,0,0|2,0,0]=4 1252 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [0,2,0,0,0,0|2,0,0]=4 1253 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [0,2,0,0,0,0|2,0,0]=4 1254 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [0,2,0,0,0,0|2,0,0]=4 1255 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [0,2,0,0,0,0|2,0,0]=4 1256 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [0,2,0,0,0,0|2,0,0]=4 1257 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [0,2,0,0,0,0|2,0,0]=4 1258 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [0,2,0,0,0,0|2,0,0]=4 1259 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [0,2,0,0,0,0|2,0,0]=4 1260 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [0,2,0,0,0,0|2,0,0]=4 1261 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [0,2,0,0,0,0|2,0,0]=4 1262 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [0,2,0,0,0,0|2,0,0]=4 1263 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [0,2,0,0,0,0|2,0,0]=4 1264 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [0,2,0,0,0,0|2,0,0]=4 1265 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [0,2,0,0,0,0|2,0,0]=4 1266 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [0,2,0,0,0,0|2,0,0]=4 1267 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [0,2,0,0,0,0|2,0,0]=4 1268 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [0,2,0,0,0,0|2,0,0]=4 1269 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [0,2,0,0,0,0|2,0,0]=4 1270 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [0,2,0,0,0,0|2,0,0]=4 1271 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [0,2,0,0,0,0|1,0,1]=4 1272 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [0,2,0,0,0,0|2,0,0]=4 1273 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [0,2,0,0,0,0|2,0,0]=4 1274 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [0,2,0,0,0,0|2,0,0]=4 1275 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [0,2,0,0,0,0|2,0,0]=4 1276 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [0,2,0,0,0,0|2,0,0]=4 1277 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [0,2,0,0,0,0|2,0,0]=4 1278 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [0,2,0,0,0,0|2,0,0]=4 1279 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,2,0,0,0,0|2,0,0]=4 1280 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,2,0,0,0,0|2,0,0]=4 1281 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,2,0,0,0,0|2,0,0]=4 1282 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,2,0,0,0,0|2,0,0]=4 1283 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,2,0,0,0,0|2,0,0]=4 1284 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,2,0,0,0,0|2,0,0]=4 1285 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,2,0,0,0,0|2,0,0]=4 1286 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,2,0,0,0,0|2,0,0]=4 1287 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,2,0,0,0,0|2,0,0]=4 1288 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,2,0,0,0,0|2,0,0]=4 1289 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,2,0,0,0,0|2,0,0]=4 1290 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,2,0,0,0,0|2,0,0]=4 1291 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,2,0,0,0,0|2,0,0]=4 1292 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,2,0,0,0,0|2,0,0]=4 1293 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,2,0,0,0,0|2,0,0]=4 1294 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,2,0,0,0,0|2,0,0]=4 1295 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,2,0,0,0,0|2,0,0]=4 1296 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,2,0,0,0,0|2,0,0]=4 1297 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,2,0,0,0,0|2,0,0]=4 1298 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,2,0,0,0,0|2,0,0]=4 1299 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,2,0,0,0,0|2,0,0]=4 1300 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,2,0,0,0,0|2,0,0]=4 1301 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,2,0,0,0,0|2,0,0]=4 1302 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,2,0,0,0,0|2,0,0]=4 1303 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,2,0,0,0,0|2,0,0]=4 1304 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,2,0,0,0,0|2,0,0]=4 1305 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,2,0,0,0,0|2,0,0]=4 1306 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,2,0,0,0,0|2,0,0]=4 1307 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,2,0,0,0,0|2,0,0]=4 1308 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,2,0,0,0,0|2,0,0]=4 1309 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,2,0,0,0,0|2,0,0]=4 1310 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,2,0,0,0,0|2,0,0]=4 1311 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,2,0,0,0,0|1,0,0]=3 1312 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,2,0,0,0,0|2,0,0]=4 1313 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [0,2,0,0,0,0|2,0,0]=4 1314 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [0,2,0,0,0,0|2,0,0]=4 1315 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,2,0,0,0,0|2,0,0]=4 1316 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [0,2,0,0,0,0|2,0,0]=4 1317 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [0,2,0,0,0,0|2,0,0]=4 1318 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [0,2,0,0,0,0|2,0,0]=4 1319 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [0,2,0,0,0,0|2,0,0]=4 1320 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [0,2,0,0,0,0|2,0,0]=4 1321 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [0,2,0,0,0,0|2,0,0]=4 1322 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [0,2,0,0,0,0|2,0,0]=4 1323 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [0,2,0,0,0,0|2,0,0]=4 1324 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [0,2,0,0,0,0|2,0,0]=4 1325 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [0,2,0,0,0,0|2,0,0]=4 1326 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,2,0,0,0,0|2,0,0]=4 1327 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [0,2,0,0,0,0|2,0,0]=4 1328 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [0,2,0,0,0,0|2,0,0]=4 1329 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [0,2,0,0,0,0|2,0,0]=4 1330 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [0,2,0,0,0,0|2,0,0]=4 1331 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [0,2,0,0,0,0|2,0,0]=4 1332 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [0,2,0,0,0,0|2,0,0]=4 1333 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [0,2,0,0,0,0|2,0,0]=4 1334 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [0,2,0,0,0,0|2,0,0]=4 1335 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [0,2,0,0,0,0|2,0,0]=4 1336 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [0,2,0,0,0,0|2,0,0]=4 1337 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [0,2,0,0,0,0|2,0,0]=4 1338 B11R1.87 CC(C)(O)c1ccccc1O 271570a_203496583355_100011346021 [0,2,0,0,0,0|2,0,0]=4 1339 B11R1.87 CS(=O)(=O)c1ccccc1O 271570a_203496583355_100000751929 [0,2,0,0,0,0|0,0,2]=4 1340 B11R1.87 NS(=O)(=O)c1ccccc1O 271570a_203496583355_100000735520 [0,2,0,0,0,0|0,0,2]=4 1341 B11R1.155 CC(C)(O)c1cccc(c1)O 271570a_203496583355_100011346009 [0,2,0,0,0,0|2,0,0]=4 1342 B11R1.155 CS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100009815773 [0,2,0,0,0,0|0,0,2]=4 1343 B11R1.155 NS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100000164563 [0,2,0,0,0,0|0,0,2]=4 1344 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [0,2,0,0,0,0|2,0,0]=4 1345 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [0,2,0,0,0,0|2,0,0]=4 1346 B11R1.53 C=Cc1ccccc1B(O)O 271570a_100011290941_100000693059 [0,2,0,0,0,0|1,0,1]=4 1347 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [0,2,0,0,0,0|2,0,0]=4 1348 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [0,2,0,0,0,0|2,0,0]=4 1349 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [0,2,0,0,0,0|2,0,0]=4 1350 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [0,2,0,0,0,0|2,0,0]=4 1351 B11R1.53 C=Cc1ccccc1C(C)O 271570a_100011290941_100000702211 [0,2,0,0,0,0|2,0,0]=4 1352 B11R1.53 C=Cc1ccccc1S(=O)C 271570a_100011290941_100000734199 [0,2,0,0,0,0|1,0,0]=3 1353 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [0,2,0,0,0,0|2,0,0]=4 1354 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [0,2,0,0,0,0|2,0,0]=4 1355 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [0,2,0,0,0,0|2,0,0]=4 1356 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [0,2,0,0,0,0|2,0,0]=4 1357 B11R1.53 CC(O)c1ccccc1N[13CH3] 2230a_100011405641_200025704644 [0,2,0,0,0,0|2,0,0]=4 1358 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [0,2,0,0,0,0|2,0,0]=4 1359 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [0,2,0,0,0,0|2,0,0]=4 1360 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_100000702211_200025704644 [0,2,0,0,0,0|2,0,0]=4 1361 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_200025704644_100000702211 [0,2,0,0,0,0|2,0,0]=4 1362 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [0,2,0,0,0,0|2,0,0]=4 1363 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [0,2,0,0,0,0|2,0,0]=4 1364 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [0,2,0,0,0,0|2,0,0]=4 1365 B11R1.53 CNc1ccccc1C(C)O 2230a_100011405641_200000210301 [0,2,0,0,0,0|2,0,0]=4 1366 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [0,2,0,0,0,0|2,0,0]=4 1367 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [0,2,0,0,0,0|2,0,0]=4 1368 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [0,2,0,0,0,0|2,0,0]=4 1369 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [0,2,0,0,0,0|2,0,0]=4 1370 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [0,2,0,0,0,0|1,0,1]=4 1371 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [0,2,0,0,0,0|2,0,0]=4 1372 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [0,2,0,0,0,0|2,0,0]=4 1373 B11R1.53 COc1ccccc1[N+](=O)[O-] 34a_100000186319_200000210301 [0,2,0,0,0,0|1,0,1]=4 1374 B11R1.53 COc1ccccc1[N+](=O)[O-] 7a_100000186319_200000210301 [0,2,0,0,0,0|1,0,1]=4 1375 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [0,2,0,0,0,0|1,0,0]=3 1376 B11R1.53 CSc1ccccc1B(O)O 62a_100000693059_200000210301 [0,2,0,0,0,0|1,0,1]=4 1377 B11R1.53 CSc1ccccc1B(O)O 62a_200000210301_100000693059 [0,2,0,0,0,0|1,0,1]=4 1378 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [0,2,0,0,0,0|2,0,0]=4 1379 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [0,2,0,0,0,0|2,0,0]=4 1380 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [0,2,0,0,0,0|2,0,0]=4 1381 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [0,2,0,0,0,0|2,0,0]=4 1382 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [0,2,0,0,0,0|1,0,0]=3 1383 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [0,2,0,0,0,0|1,0,0]=3 1384 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [0,2,0,0,0,0|2,0,0]=4 1385 B11R1.53 CSc1ccccc1C(C)O 62a_100000702211_200000210301 [0,2,0,0,0,0|2,0,0]=4 1386 B11R1.53 CSc1ccccc1C(C)O 62a_200000210301_100000702211 [0,2,0,0,0,0|2,0,0]=4 1387 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [0,2,0,0,0,0|1,0,0]=3 1388 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [0,2,0,0,0,0|2,0,0]=4 1389 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [0,2,0,0,0,0|2,0,0]=4 1390 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [0,2,0,0,0,0|2,0,0]=4 1391 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [0,2,0,0,0,0|2,0,0]=4 1392 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [0,2,0,0,0,0|2,0,0]=4 1393 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [0,2,0,0,0,0|2,0,0]=4 1394 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [0,2,0,0,0,0|1,0,1]=4 1395 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200025704644 [0,2,0,0,0,0|1,0,1]=4 1396 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 7a_100000186319_200025704644 [0,2,0,0,0,0|1,0,1]=4 1397 B11R1.53 [13CH3]Sc1ccccc1B(O)O 62a_100000693059_200025704644 [0,2,0,0,0,0|1,0,1]=4 1398 B11R1.53 [13CH3]Sc1ccccc1B(O)O 62a_200025704644_100000693059 [0,2,0,0,0,0|1,0,1]=4 1399 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [0,2,0,0,0,0|2,0,0]=4 1400 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [0,2,0,0,0,0|2,0,0]=4 1401 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [0,2,0,0,0,0|1,0,0]=3 1402 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [0,2,0,0,0,0|1,0,0]=3 1403 B11R1.156 CC(=O)c1c(cccc1Br)Br 1458a_100000690891_200000210301 [0,2,0,0,0,0|2,0,0]=4 1404 B11R1.156 CC(=O)c1c(cccc1Br)C 1458a_100000701904_200000210301 [0,2,0,0,0,0|2,0,0]=4 1405 B11R1.156 CC(=O)c1c(cccc1Br)Cl 1458a_100011253703_200000210301 [0,2,0,0,0,0|2,0,0]=4 1406 B11R1.156 CC(=O)c1c(cccc1Br)F 1458a_100000752694_200000210301 [0,2,0,0,0,0|2,0,0]=4 1407 B11R1.156 CC(=O)c1c(cccc1Br)O 1458a_100011935254_200000210301 [0,2,0,0,0,0|2,0,0]=4 1408 B11R1.156 CC(=O)c1c(cccc1C)C 1458a_100000758298_200000210301 [0,2,0,0,0,0|2,0,0]=4 1409 B11R1.156 CC(=O)c1c(cccc1Cl)C 1458a_100000692601_200000210301 [0,2,0,0,0,0|2,0,0]=4 1410 B11R1.156 CC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200000210301 [0,2,0,0,0,0|2,0,0]=4 1411 B11R1.156 CC(=O)c1c(cccc1Cl)F 1458a_100000210369_200000210301 [0,2,0,0,0,0|2,0,0]=4 1412 B11R1.156 CC(=O)c1c(cccc1Cl)O 1458a_100000745519_200000210301 [0,2,0,0,0,0|2,0,0]=4 1413 B11R1.156 CC(=O)c1c(cccc1F)C 1458a_100000762013_200000210301 [0,2,0,0,0,0|2,0,0]=4 1414 B11R1.156 CC(=O)c1c(cccc1F)F 1458a_100000210804_200000210301 [0,2,0,0,0,0|2,0,0]=4 1415 B11R1.156 CC(=O)c1c(cccc1F)O 1458a_100000763259_200000210301 [0,2,0,0,0,0|2,0,0]=4 1416 B11R1.156 CC(=O)c1c(cccc1F)O 271570a_203496583355_100012351873 [0,2,0,0,0,0|2,0,0]=4 1417 B11R1.156 CC(=O)c1c(cccc1I)Br 1458a_100010232521_200000210301 [0,2,0,0,0,0|2,0,0]=4 1418 B11R1.156 CC(=O)c1c(cccc1I)C 1458a_100000688020_200000210301 [0,2,0,0,0,0|2,0,0]=4 1419 B11R1.156 CC(=O)c1c(cccc1I)Cl 1458a_100000702859_200000210301 [0,2,0,0,0,0|2,0,0]=4 1420 B11R1.156 CC(=O)c1c(cccc1I)F 1458a_100000023732_200000210301 [0,2,0,0,0,0|2,0,0]=4 1421 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [0,2,0,0,0,0|2,0,0]=4 1422 B11R1.156 CC(=O)c1c(cccc1O)O 1458a_100000755285_200000210301 [0,2,0,0,0,0|2,0,0]=4 1423 B11R1.156 CC(=O)c1c(cccc1O)O 271570a_203496583355_100010174959 [0,2,0,0,0,0|2,0,0]=4 1424 B11R1.156 CC(O)c1c(cccc1F)O 271570a_203496583355_100013085324 [0,2,0,0,0,0|2,0,0]=4 1425 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Br 1458a_100000701904_200025704644 [0,2,0,0,0,0|2,0,0]=4 1426 B11R1.156 Cc1cccc(c1C(=O)[13CH3])C 1458a_100000758298_200025704644 [0,2,0,0,0,0|2,0,0]=4 1427 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Cl 1458a_100000692601_200025704644 [0,2,0,0,0,0|2,0,0]=4 1428 B11R1.156 Cc1cccc(c1C(=O)[13CH3])F 1458a_100000762013_200025704644 [0,2,0,0,0,0|2,0,0]=4 1429 B11R1.156 Cc1cccc(c1C(=O)[13CH3])I 1458a_100000688020_200025704644 [0,2,0,0,0,0|2,0,0]=4 1430 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [0,2,0,0,0,0|2,0,0]=4 1431 B11R1.156 NC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010147686 [0,2,0,0,0,0|2,0,0]=4 1432 B11R1.156 NC(=O)c1c(cccc1F)O 271570a_203496583355_100011219063 [0,2,0,0,0,0|2,0,0]=4 1433 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Br 1458a_100000690891_200025704644 [0,2,0,0,0,0|2,0,0]=4 1434 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Cl 1458a_100011253703_200025704644 [0,2,0,0,0,0|2,0,0]=4 1435 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)F 1458a_100000752694_200025704644 [0,2,0,0,0,0|2,0,0]=4 1436 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)O 1458a_100011935254_200025704644 [0,2,0,0,0,0|2,0,0]=4 1437 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200025704644 [0,2,0,0,0,0|2,0,0]=4 1438 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)F 1458a_100000210369_200025704644 [0,2,0,0,0,0|2,0,0]=4 1439 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)O 1458a_100000745519_200025704644 [0,2,0,0,0,0|2,0,0]=4 1440 B11R1.156 [13CH3]C(=O)c1c(cccc1F)F 1458a_100000210804_200025704644 [0,2,0,0,0,0|2,0,0]=4 1441 B11R1.156 [13CH3]C(=O)c1c(cccc1F)O 1458a_100000763259_200025704644 [0,2,0,0,0,0|2,0,0]=4 1442 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Br 1458a_100010232521_200025704644 [0,2,0,0,0,0|2,0,0]=4 1443 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Cl 1458a_100000702859_200025704644 [0,2,0,0,0,0|2,0,0]=4 1444 B11R1.156 [13CH3]C(=O)c1c(cccc1I)F 1458a_100000023732_200025704644 [0,2,0,0,0,0|2,0,0]=4 1445 B11R1.156 [13CH3]C(=O)c1c(cccc1O)O 1458a_100000755285_200025704644 [0,2,0,0,0,0|2,0,0]=4 1446 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [0,2,0,0,0,0|2,0,0]=4 1447 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [0,2,0,0,0,0|2,0,0]=4 1448 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [0,2,0,0,0,0|2,0,0]=4 1449 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [0,2,0,0,0,0|2,0,0]=4 1450 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [0,2,0,0,0,0|2,0,0]=4 1451 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [0,2,0,0,0,0|2,0,0]=4 1452 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [0,2,0,0,0,0|2,0,0]=4 1453 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [0,2,0,0,0,0|2,0,0]=4 1454 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [0,2,0,0,0,0|2,0,0]=4 1455 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [0,2,0,0,0,0|2,0,0]=4 1456 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [0,2,0,0,0,0|2,0,0]=4 1457 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [0,2,0,0,0,0|2,0,0]=4 1458 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [0,2,0,0,0,0|2,0,0]=4 1459 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [0,2,0,0,0,0|2,0,0]=4 1460 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [0,2,0,0,0,0|2,0,0]=4 1461 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [0,2,0,0,0,0|2,0,0]=4 1462 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [0,2,0,0,0,0|2,0,0]=4 1463 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [0,2,0,0,0,0|2,0,0]=4 1464 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [0,2,0,0,0,0|2,0,0]=4 1465 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [0,2,0,0,0,0|2,0,0]=4 1466 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [0,2,0,0,0,0|2,0,0]=4 1467 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [0,2,0,0,0,0|2,0,0]=4 1468 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [0,2,0,0,0,0|2,0,0]=4 1469 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [0,2,0,0,0,0|2,0,0]=4 1470 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [0,2,0,0,0,0|2,0,0]=4 1471 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [0,2,0,0,0,0|2,0,0]=4 1472 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [0,2,0,0,0,0|2,0,0]=4 1473 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [0,2,0,0,0,0|2,0,0]=4 1474 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [0,2,0,0,0,0|2,0,0]=4 1475 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [0,2,0,0,0,0|2,0,0]=4 1476 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [0,2,0,0,0,0|2,0,0]=4 1477 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [0,2,0,0,0,0|2,0,0]=4 1478 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [0,2,0,0,0,0|2,0,0]=4 1479 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [0,2,0,0,0,0|2,0,0]=4 1480 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [0,2,0,0,0,0|2,0,0]=4 1481 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [0,2,0,0,0,0|2,0,0]=4 1482 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [0,2,0,0,0,0|2,0,0]=4 1483 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [0,2,0,0,0,0|2,0,0]=4 1484 B11R1.159 CC(O)c1cccc(c1F)O 271570a_203496583355_200012356376 [0,2,0,0,0,0|2,0,0]=4 1485 B11R1.159 Cc1c(cccc1B(O)O)O 271570a_203496583355_100000724322 [0,2,0,0,0,0|1,0,1]=4 1486 B11R1.159 Cc1c(cccc1C(=O)N)O 271570a_203496583355_200012298201 [0,2,0,0,0,0|2,0,0]=4 1487 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [0,2,0,0,0,0|2,0,0]=4 1488 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [0,2,0,0,0,0|2,0,0]=4 1489 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [0,2,0,0,0,0|2,0,0]=4 1490 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [0,2,0,0,0,0|2,0,0]=4 1491 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [0,2,0,0,0,0|2,0,0]=4 1492 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [0,2,0,0,0,0|2,0,0]=4 1493 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [0,2,0,0,0,0|2,0,0]=4 1494 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [0,2,0,0,0,0|2,0,0]=4 1495 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [0,2,0,0,0,0|2,0,0]=4 1496 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [0,2,0,0,0,0|2,0,0]=4 1497 B11R1.159 Cc1cccc(c1O)C(=O)N 271570a_203496583355_200011409216 [0,2,0,0,0,0|2,0,0]=4 1498 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [0,2,0,0,0,0|2,0,0]=4 1499 B11R1.159 NC(=O)c1cccc(c1F)O 271570a_203496583355_100012351131 [0,2,0,0,0,0|2,0,0]=4 1500 B11R1.159 NC(=O)c1cccc(c1N)O 271570a_203496583355_100010144993 [0,2,0,0,0,0|2,0,0]=4 1501 B11R1.159 NC(=O)c1cccc(c1O)F 271570a_203496583355_200012351544 [0,2,0,0,0,0|2,0,0]=4 1502 B11R1.159 OB(O)c1cccc(c1F)O 271570a_203496583355_100011934463 [0,2,0,0,0,0|1,0,1]=4 1503 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [0,2,0,0,0,0|2,0,0]=4 1504 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [0,2,0,0,0,0|2,0,0]=4 1505 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [0,2,0,0,0,0|2,0,0]=4 1506 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [0,2,0,0,0,0|2,0,0]=4 1507 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [0,2,0,0,0,0|2,0,0]=4 1508 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [0,2,0,0,0,0|2,0,0]=4 1509 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [0,2,0,0,0,0|2,0,0]=4 1510 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [0,2,0,0,0,0|2,0,0]=4 1511 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [0,2,0,0,0,0|2,0,0]=4 1512 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [0,2,0,0,0,0|2,0,0]=4 1513 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [0,2,0,0,0,0|2,0,0]=4 1514 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [0,2,0,0,0,0|2,0,0]=4 1515 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [0,2,0,0,0,0|2,0,0]=4 1516 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [0,2,0,0,0,0|2,0,0]=4 1517 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [0,2,0,0,0,0|2,0,0]=4 1518 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [0,2,0,0,0,0|2,0,0]=4 1519 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [0,2,0,0,0,0|2,0,0]=4 1520 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [0,2,0,0,0,0|2,0,0]=4 1521 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [0,2,0,0,0,0|2,0,0]=4 1522 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [0,2,0,0,0,0|2,0,0]=4 1523 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [0,2,0,0,0,0|2,0,0]=4 1524 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [0,2,0,0,0,0|2,0,0]=4 1525 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [0,2,0,0,0,0|2,0,0]=4 1526 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [0,2,0,0,0,0|2,0,0]=4 1527 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [0,2,0,0,0,0|2,0,0]=4 1528 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [0,2,0,0,0,0|2,0,0]=4 1529 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [0,2,0,0,0,0|2,0,0]=4 1530 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [0,2,0,0,0,0|2,0,0]=4 1531 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [0,2,0,0,0,0|2,0,0]=4 1532 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [0,2,0,0,0,0|2,0,0]=4 1533 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,2,0,0,0,0|2,0,0]=4 1534 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,2,0,0,0,0|2,0,0]=4 1535 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [0,2,0,0,0,0|2,0,0]=4 1536 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [0,2,0,0,0,0|2,0,0]=4 1537 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [0,2,0,0,0,0|2,0,0]=4 1538 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [0,2,0,0,0,0|2,0,0]=4 1539 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [0,2,0,0,0,0|2,0,0]=4 1540 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [0,2,0,0,0,0|2,0,0]=4 1541 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [0,2,0,0,0,0|2,0,0]=4 1542 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [0,2,0,0,0,0|2,0,0]=4 1543 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [0,2,0,0,0,0|2,0,0]=4 1544 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [0,2,0,0,0,0|2,0,0]=4 1545 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [0,2,0,0,0,0|2,0,0]=4 1546 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [0,2,0,0,0,0|2,0,0]=4 1547 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [0,2,0,0,0,0|2,0,0]=4 1548 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [0,2,0,0,0,0|2,0,0]=4 1549 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [0,2,0,0,0,0|2,0,0]=4 1550 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [0,2,0,0,0,0|2,0,0]=4 1551 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [0,2,0,0,0,0|2,0,0]=4 1552 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [0,2,0,0,0,0|2,0,0]=4 1553 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [0,2,0,0,0,0|2,0,0]=4 1554 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [0,2,0,0,0,0|2,0,0]=4 1555 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [0,2,0,0,0,0|2,0,0]=4 1556 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [0,2,0,0,0,0|2,0,0]=4 1557 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [0,2,0,0,0,0|2,0,0]=4 1558 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [0,2,0,0,0,0|2,0,0]=4 1559 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [0,2,0,0,0,0|2,0,0]=4 1560 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [0,2,0,0,0,0|2,0,0]=4 1561 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [0,2,0,0,0,0|2,0,0]=4 1562 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [0,2,0,0,0,0|2,0,0]=4 1563 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [0,2,0,0,0,0|2,0,0]=4 1564 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [0,2,0,0,0,0|2,0,0]=4 1565 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [0,2,0,0,0,0|2,0,0]=4 1566 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [0,2,0,0,0,0|2,0,0]=4 1567 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [0,2,0,0,0,0|2,0,0]=4 1568 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [0,2,0,0,0,0|2,0,0]=4 1569 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [0,2,0,0,0,0|2,0,0]=4 1570 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [0,2,0,0,0,0|2,0,0]=4 1571 B11R1.167 CC(O)c1cc(ccc1F)O 271570a_203496583355_100011943926 [0,2,0,0,0,0|2,0,0]=4 1572 B11R1.167 C[C@H](O)c1cc(ccc1O)F 271570a_203496583355_100134768474 [0,2,0,0,0,0|2,0,0]=4 1573 B11R1.167 Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_200010883979 [0,2,0,0,0,0|1,0,1]=4 1574 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [0,2,0,0,0,0|2,0,0]=4 1575 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [0,2,0,0,0,0|2,0,0]=4 1576 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,2,0,0,0,0|2,0,0]=4 1577 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [0,2,0,0,0,0|2,0,0]=4 1578 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [0,2,0,0,0,0|2,0,0]=4 1579 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [0,2,0,0,0,0|2,0,0]=4 1580 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [0,2,0,0,0,0|2,0,0]=4 1581 B11R1.167 Cc1ccc(cc1B(O)O)O 271570a_203496583355_100010223188 [0,2,0,0,0,0|1,0,1]=4 1582 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [0,2,0,0,0,0|2,0,0]=4 1583 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [0,2,0,0,0,0|2,0,0]=4 1584 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,2,0,0,0,0|2,0,0]=4 1585 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [0,2,0,0,0,0|2,0,0]=4 1586 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [0,2,0,0,0,0|2,0,0]=4 1587 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [0,2,0,0,0,0|2,0,0]=4 1588 B11R1.167 NC(=O)c1cc(ccc1F)O 271570a_203496583355_100000162119 [0,2,0,0,0,0|2,0,0]=4 1589 B11R1.167 NC(=O)c1cc(ccc1N)O 271570a_203496583355_100000740421 [0,2,0,0,0,0|2,0,0]=4 1590 B11R1.167 NC(=O)c1cc(ccc1O)Br 271570a_203496583355_200000162314 [0,2,0,0,0,0|2,0,0]=4 1591 B11R1.167 NC(=O)c1cc(ccc1O)F 271570a_203496583355_100000206434 [0,2,0,0,0,0|2,0,0]=4 1592 B11R1.167 NC(=O)c1cc(ccc1O)N 271570a_203496583355_100015186447 [0,2,0,0,0,0|2,0,0]=4 1593 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [0,2,0,0,0,0|2,0,0]=4 1594 B11R1.167 OB(O)c1cc(ccc1Br)O 271570a_203496583355_200010171685 [0,2,0,0,0,0|1,0,1]=4 1595 B11R1.167 OB(O)c1cc(ccc1F)O 271570a_203496583355_100011356809 [0,2,0,0,0,0|1,0,1]=4 1596 B11R1.167 OB(O)c1cc(ccc1O)F 271570a_203496583355_200009816908 [0,2,0,0,0,0|1,0,1]=4 1597 B11R1.167 OB(O)c1cc(ccc1O)O 271570a_203496583355_200009814749 [0,2,0,0,0,0|1,0,1]=4 1598 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [0,2,0,0,0,0|2,0,0]=4 1599 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [0,2,0,0,0,0|2,0,0]=4 1600 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [0,2,0,0,0,0|2,0,0]=4 1601 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [0,2,0,0,0,0|2,0,0]=4 1602 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [0,2,0,0,0,0|2,0,0]=4 1603 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [0,2,0,0,0,0|2,0,0]=4 1604 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [0,2,0,0,0,0|2,0,0]=4 1605 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [0,2,0,0,0,0|2,0,0]=4 1606 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [0,2,0,0,0,0|2,0,0]=4 1607 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [0,2,0,0,0,0|2,0,0]=4 1608 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [0,2,0,0,0,0|2,0,0]=4 1609 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [0,2,0,0,0,0|2,0,0]=4 1610 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [0,2,0,0,0,0|2,0,0]=4 1611 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [0,2,0,0,0,0|2,0,0]=4 1612 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [0,2,0,0,0,0|2,0,0]=4 1613 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [0,2,0,0,0,0|2,0,0]=4 1614 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [0,2,0,0,0,0|2,0,0]=4 1615 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [0,2,0,0,0,0|2,0,0]=4 1616 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [0,2,0,0,0,0|2,0,0]=4 1617 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [0,2,0,0,0,0|2,0,0]=4 1618 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [0,2,0,0,0,0|2,0,0]=4 1619 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [0,2,0,0,0,0|2,0,0]=4 1620 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [0,2,0,0,0,0|2,0,0]=4 1621 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [0,2,0,0,0,0|2,0,0]=4 1622 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [0,2,0,0,0,0|2,0,0]=4 1623 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200000210301 [0,2,0,0,0,0|2,0,0]=4 1624 B11R1.74 CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_200000210301 [0,2,0,0,0,0|2,0,0]=4 1625 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200000210301 [0,2,0,0,0,0|2,0,0]=4 1626 B11R1.74 CC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200000210301 [0,2,0,0,0,0|2,0,0]=4 1627 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200000210301 [0,2,0,0,0,0|2,0,0]=4 1628 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100010005435 [0,2,0,0,0,0|2,0,0]=4 1629 B11R1.74 CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_200000210301 [0,2,0,0,0,0|2,0,0]=4 1630 B11R1.74 CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_200000210301 [0,2,0,0,0,0|2,0,0]=4 1631 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200000210301 [0,2,0,0,0,0|2,0,0]=4 1632 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200000210301 [0,2,0,0,0,0|2,0,0]=4 1633 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000210301 [0,2,0,0,0,0|2,0,0]=4 1634 B11R1.74 CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_200000210301 [0,2,0,0,0,0|2,0,0]=4 1635 B11R1.74 CC(=O)c1cc(cc(c1)F)F 1458a_100000211655_200000210301 [0,2,0,0,0,0|2,0,0]=4 1636 B11R1.74 CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_200000210301 [0,2,0,0,0,0|2,0,0]=4 1637 B11R1.74 CC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100012361402 [0,2,0,0,0,0|2,0,0]=4 1638 B11R1.74 CC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200000210301 [0,2,0,0,0,0|2,0,0]=4 1639 B11R1.74 CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_200000210301 [0,2,0,0,0,0|2,0,0]=4 1640 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200000210301 [0,2,0,0,0,0|2,0,0]=4 1641 B11R1.74 CC(=O)c1cc(cc(c1)I)F 1458a_100012047268_200000210301 [0,2,0,0,0,0|2,0,0]=4 1642 B11R1.74 CC(=O)c1cc(cc(c1)I)I 1458a_100011204819_200000210301 [0,2,0,0,0,0|2,0,0]=4 1643 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [0,2,0,0,0,0|2,0,0]=4 1644 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [0,2,0,0,0,0|2,0,0]=4 1645 B11R1.74 Cc1cc(cc(c1)B(O)O)O 271570a_203496583355_100009814731 [0,2,0,0,0,0|1,0,1]=4 1646 B11R1.74 Cc1cc(cc(c1)C(=O)N)O 271570a_203496583355_200012348365 [0,2,0,0,0,0|2,0,0]=4 1647 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100000760426_200025704644 [0,2,0,0,0,0|2,0,0]=4 1648 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000210874_200025704644 [0,2,0,0,0,0|2,0,0]=4 1649 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000684526_200025704644 [0,2,0,0,0,0|2,0,0]=4 1650 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])F 1458a_100000763163_200025704644 [0,2,0,0,0,0|2,0,0]=4 1651 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])I 1458a_100000729426_200025704644 [0,2,0,0,0,0|2,0,0]=4 1652 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [0,2,0,0,0,0|2,0,0]=4 1653 B11R1.74 NC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011280034 [0,2,0,0,0,0|2,0,0]=4 1654 B11R1.74 NC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100010084318 [0,2,0,0,0,0|2,0,0]=4 1655 B11R1.74 OB(O)c1cc(cc(c1)F)O 271570a_203496583355_100009814746 [0,2,0,0,0,0|1,0,1]=4 1656 B11R1.74 OB(O)c1cc(cc(c1)O)O 271570a_203496583355_100010062373 [0,2,0,0,0,0|1,0,1]=4 1657 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200025704644 [0,2,0,0,0,0|2,0,0]=4 1658 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200025704644 [0,2,0,0,0,0|2,0,0]=4 1659 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200025704644 [0,2,0,0,0,0|2,0,0]=4 1660 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200025704644 [0,2,0,0,0,0|2,0,0]=4 1661 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200025704644 [0,2,0,0,0,0|2,0,0]=4 1662 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200025704644 [0,2,0,0,0,0|2,0,0]=4 1663 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200025704644 [0,2,0,0,0,0|2,0,0]=4 1664 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)F 1458a_100000211655_200025704644 [0,2,0,0,0,0|2,0,0]=4 1665 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)O 1458a_100012017291_200025704644 [0,2,0,0,0,0|2,0,0]=4 1666 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200025704644 [0,2,0,0,0,0|2,0,0]=4 1667 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200025704644 [0,2,0,0,0,0|2,0,0]=4 1668 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)F 1458a_100012047268_200025704644 [0,2,0,0,0,0|2,0,0]=4 1669 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)I 1458a_100011204819_200025704644 [0,2,0,0,0,0|2,0,0]=4 1670 B11R1.266 C#Cc1cccc(c1)C(=O)C 1458a_100011997762_200000210301 [0,2,0,0,0,0|2,0,0]=4 1671 B11R1.266 C#Cc1cccc(c1)C(=O)[13CH3] 1458a_100011997762_200025704644 [0,2,0,0,0,0|2,0,0]=4 1672 B11R1.266 C=Cc1cccc(c1)B(O)O 271570a_100011290941_100000687717 [0,2,0,0,0,0|1,0,1]=4 1673 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [0,2,0,0,0,0|2,0,0]=4 1674 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [0,2,0,0,0,0|2,0,0]=4 1675 B11R1.266 C=Cc1cccc(c1)C(=O)N 271570a_100011290941_100000162208 [0,2,0,0,0,0|2,0,0]=4 1676 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [0,2,0,0,0,0|2,0,0]=4 1677 B11R1.266 C=Cc1cccc(c1)C(C)O 271570a_100011290941_100000246457 [0,2,0,0,0,0|2,0,0]=4 1678 B11R1.266 C=Cc1cccc(c1)S(=O)C 271570a_100011290941_100009816267 [0,2,0,0,0,0|1,0,0]=3 1679 B11R1.266 CC(=O)c1cccc(c1)C#N 1458a_100000183950_200000210301 [0,2,0,0,0,0|2,0,0]=4 1680 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [0,2,0,0,0,0|2,0,0]=4 1681 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [0,2,0,0,0,0|2,0,0]=4 1682 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [0,2,0,0,0,0|2,0,0]=4 1683 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [0,2,0,0,0,0|2,0,0]=4 1684 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [0,2,0,0,0,0|2,0,0]=4 1685 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 2230a_100011217120_200025704644 [0,2,0,0,0,0|2,0,0]=4 1686 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 34a_100011217120_200025704644 [0,2,0,0,0,0|2,0,0]=4 1687 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 34a_100000748013_200025704644 [0,2,0,0,0,0|2,0,0]=4 1688 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 7a_100000748013_200025704644 [0,2,0,0,0,0|2,0,0]=4 1689 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_100000246457_200025704644 [0,2,0,0,0,0|2,0,0]=4 1690 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_200025704644_100000246457 [0,2,0,0,0,0|2,0,0]=4 1691 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [0,2,0,0,0,0|2,0,0]=4 1692 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [0,2,0,0,0,0|2,0,0]=4 1693 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [0,2,0,0,0,0|2,0,0]=4 1694 B11R1.266 CNc1cccc(c1)C(C)O 2230a_100011217120_200000210301 [0,2,0,0,0,0|2,0,0]=4 1695 B11R1.266 CNc1cccc(c1)C(C)O 34a_100011217120_200000210301 [0,2,0,0,0,0|2,0,0]=4 1696 B11R1.266 CNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200000210301 [0,2,0,0,0,0|1,0,1]=4 1697 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [0,2,0,0,0,0|2,0,0]=4 1698 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [0,2,0,0,0,0|2,0,0]=4 1699 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [0,2,0,0,0,0|2,0,0]=4 1700 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [0,2,0,0,0,0|2,0,0]=4 1701 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [0,2,0,0,0,0|2,0,0]=4 1702 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [0,2,0,0,0,0|2,0,0]=4 1703 B11R1.266 COc1cccc(c1)C(C)O 34a_100000748013_200000210301 [0,2,0,0,0,0|2,0,0]=4 1704 B11R1.266 COc1cccc(c1)C(C)O 7a_100000748013_200000210301 [0,2,0,0,0,0|2,0,0]=4 1705 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [0,2,0,0,0,0|1,0,1]=4 1706 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [0,2,0,0,0,0|1,0,1]=4 1707 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_100009816267_200025704644 [0,2,0,0,0,0|1,0,0]=3 1708 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009816267 [0,2,0,0,0,0|1,0,0]=3 1709 B11R1.266 CSc1cccc(c1)B(O)O 62a_100000687717_200000210301 [0,2,0,0,0,0|1,0,1]=4 1710 B11R1.266 CSc1cccc(c1)B(O)O 62a_200000210301_100000687717 [0,2,0,0,0,0|1,0,1]=4 1711 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [0,2,0,0,0,0|2,0,0]=4 1712 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [0,2,0,0,0,0|2,0,0]=4 1713 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [0,2,0,0,0,0|2,0,0]=4 1714 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [0,2,0,0,0,0|2,0,0]=4 1715 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [0,2,0,0,0,0|2,0,0]=4 1716 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [0,2,0,0,0,0|2,0,0]=4 1717 B11R1.266 CSc1cccc(c1)C(C)O 62a_100000246457_200000210301 [0,2,0,0,0,0|2,0,0]=4 1718 B11R1.266 CSc1cccc(c1)C(C)O 62a_200000210301_100000246457 [0,2,0,0,0,0|2,0,0]=4 1719 B11R1.266 CSc1cccc(c1)S(=O)C 62a_100009816267_200000210301 [0,2,0,0,0,0|1,0,0]=3 1720 B11R1.266 CSc1cccc(c1)S(=O)C 62a_200000210301_100009816267 [0,2,0,0,0,0|1,0,0]=3 1721 B11R1.266 [13CH3]C(=O)c1cccc(c1)C#N 1458a_100000183950_200025704644 [0,2,0,0,0,0|2,0,0]=4 1722 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [0,2,0,0,0,0|2,0,0]=4 1723 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [0,2,0,0,0,0|2,0,0]=4 1724 B11R1.266 [13CH3]Nc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200025704644 [0,2,0,0,0,0|1,0,1]=4 1725 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [0,2,0,0,0,0|2,0,0]=4 1726 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [0,2,0,0,0,0|2,0,0]=4 1727 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [0,2,0,0,0,0|1,0,1]=4 1728 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [0,2,0,0,0,0|1,0,1]=4 1729 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_100000687717_200025704644 [0,2,0,0,0,0|1,0,1]=4 1730 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_200025704644_100000687717 [0,2,0,0,0,0|1,0,1]=4 1731 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [0,2,0,0,0,0|2,0,0]=4 1732 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [0,2,0,0,0,0|2,0,0]=4 1733 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [0,0,0,1,0,1|2,0,0]=4 1734 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [0,0,0,1,0,1|1,0,1]=4 1735 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [0,0,0,1,0,1|1,1,0]=4 1736 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [0,0,0,1,0,1|2,0,0]=4 1737 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [0,0,0,1,0,1|1,1,0]=4 1738 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,1,0,1,0,0|1,0,1]=4 1739 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [0,1,0,1,0,0|1,1,0]=4 1740 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [0,1,0,1,0,0|2,0,0]=4 1741 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,0,0,0,0,2|2,0,0]=4 1742 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,0,2|2,0,0]=4 1743 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,0,2|2,0,0]=4 1744 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,0,2|2,0,0]=4 1745 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,0,2|2,0,0]=4 1746 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,0,2|2,0,0]=4 1747 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,0,2|2,0,0]=4 1748 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,0,2|2,0,0]=4 1749 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,0,2|2,0,0]=4 1750 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,0,2|2,0,0]=4 1751 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,0,0,0,2|2,0,0]=4 1752 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [0,0,0,0,0,2|2,0,0]=4 1753 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,0,0,0,0,2|2,0,0]=4 1754 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,0,0,0,0,2|2,0,0]=4 1755 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,0,0,0,0,2|2,0,0]=4 1756 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,0,0,0,0,2|2,0,0]=4 1757 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,0,0,0,0,2|2,0,0]=4 1758 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,0,0,0,0,2|2,0,0]=4 1759 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,0,0,0,0,2|2,0,0]=4 1760 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,0,0,0,0,2|2,0,0]=4 1761 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,0,0,0,0,2|2,0,0]=4 1762 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,0,0,0,0,2|2,0,0]=4 1763 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,0,0,0,0,2|2,0,0]=4 1764 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,0,0,0,0,2|2,0,0]=4 1765 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,0,0,0,0,2|2,0,0]=4 1766 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,0,0,0,0,2|2,0,0]=4 1767 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,0,0,0,0,2|2,0,0]=4 1768 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,0,0,0,0,2|1,0,1]=4 1769 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,0,0,0,0,2|1,0,1]=4 1770 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,0,0,0,0,2|1,0,1]=4 1771 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,0,0,0,0,2|1,0,1]=4 1772 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,0,0,0,0,2|1,0,1]=4 1773 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,0,0,0,0,2|1,0,1]=4 1774 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,0,0,0,0,2|1,0,1]=4 1775 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,0,0,0,0,2|2,0,0]=4 1776 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,0,2|2,0,0]=4 1777 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,0,2|2,0,0]=4 1778 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,0,2|2,0,0]=4 1779 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,0,2|2,0,0]=4