0 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 C=C(C)c1ccnnc1 271570a_100000694244_100000732662 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.6 C=C(C)c1cncnc1 271570a_100000694244_100011206942 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,0,0,0|1,0,3]=4 11 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,0,0,0,0,0|1,0,3]=4 12 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.6 CC(=O)C1=COCCO1 1458a_100000008702_200000210301 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,0,0,0|1,0,3]=4 15 B9R1.6 CC(=O)N1CC=CCC1 11a_100000698166_100015343762 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [0,0,0,0,0,0|1,0,3]=4 20 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.6 CN(C)c1cccnn1 27a_100102631434_100016991348 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.6 CN(C)c1ccncn1 27a_100102631434_100000703185 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.6 CN(C)c1cnccn1 27a_100102631434_100000211759 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.6 CN(C)c1ncccn1 27a_100102631434_100000211032 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,0,0,0|1,0,3]=4 32 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,0,0,0,0,0|1,0,3]=4 33 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,0,0,0,0,0|2,0,2]=4 34 B9R1.6 [13CH3]C(=O)C1=COCCO1 1458a_100000008702_200025704644 [0,0,0,0,0,0|2,0,2]=4 35 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [0,0,0,0,0,0|1,0,3]=4 36 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,0,0,0,0|1,0,0]=1 37 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [1,0,0,0,0,0|1,0,1]=3 38 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [1,0,0,0,0,0|0,0,1]=2 39 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [1,0,0,0,0,0|1,0,1]=3 41 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.2 CNc1cccnn1 27a_100102657272_100016991348 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.2 CNc1ccncn1 27a_100102657272_100000703185 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.2 CNc1ncccn1 27a_100102657272_100000211032 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [1,0,0,0,0,0|1,0,0]=2 58 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [1,0,0,0,0,0|1,0,0]=2 59 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.2 CSc1cccnn1 62a_100016991348_200000210301 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.2 CSc1cccnn1 62a_200000210301_100016991348 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.2 CSc1ccncn1 62a_100000703185_200000210301 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.2 CSc1ccncn1 62a_200000210301_100000703185 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.2 CSc1ncccn1 62a_100000211032_200000210301 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.2 CSc1ncccn1 62a_200000210301_100000211032 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [1,0,0,0,0,0|1,0,0]=2 80 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [1,0,0,0,0,0|1,0,0]=2 81 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.2 [13CH3]Sc1cccnn1 62a_100016991348_200025704644 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.2 [13CH3]Sc1cccnn1 62a_200025704644_100016991348 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.2 [13CH3]Sc1ccncn1 62a_100000703185_200025704644 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.2 [13CH3]Sc1ccncn1 62a_200025704644_100000703185 [1,0,0,0,0,0|2,0,0]=3 89 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [1,0,0,0,0,0|2,0,0]=3 90 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [1,0,0,0,0,0|2,0,0]=3 91 B8R1.2 [13CH3]Sc1ncccn1 62a_100000211032_200025704644 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.2 [13CH3]Sc1ncccn1 62a_200025704644_100000211032 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.13 C=C(C)c1cc[n+](cc1)[O-] 271570a_100000694244_100000039755 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.13 C=C(C)c1ccc(=O)[nH]n1 271570a_100000694244_100009820020 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [0,1,0,0,0,0|1,0,0]=2 104 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [0,1,0,0,0,0|1,0,0]=2 107 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.13 C=C(C)c1ccc(nn1)C 271570a_100000694244_100011450037 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.13 C=C(C)c1ccc(nn1)N 271570a_100000694244_100009816609 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.13 C=C(C)c1cnc(cn1)C 271570a_100000694244_100011999403 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.13 C=C(C)c1cnc(cn1)F 271570a_100000694244_100009856528 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.13 C=C(C)c1cnc(cn1)N 271570a_100000694244_100000761932 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.13 C=C(C)c1cnc(nn1)N 271570a_100000694244_100000691435 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.13 C=C(C)c1ncc(cn1)Br 271570a_100000694244_100000690281 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.13 C=C(C)c1ncc(cn1)C 271570a_100000694244_100011825175 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.13 C=C(C)c1ncc(cn1)Cl 271570a_100000694244_100011356929 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.13 C=C(C)c1ncc(cn1)F 271570a_100000694244_100000685220 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.13 C=C(C)c1ncc(cn1)N 271570a_100000694244_100000068403 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.13 C=C(C)c1ncc(cn1)O 271570a_100000694244_100000730009 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.13 CC(=O)C1=NNC(=O)CC1 1458a_100000183032_200000210301 [0,1,0,0,0,0|1,0,2]=4 127 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,1,0,0,0,0|1,0,0]=2 129 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,1,0,0,0,0|1,0,0]=2 130 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,1,0,0,0,0|1,0,0]=2 133 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,1,0,0,0,0|1,0,0]=2 134 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,1,0,0,0,0|0,0,0]=1 135 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [0,1,0,0,0,0|1,0,0]=2 139 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.13 CC(C)c1ccc(cn1)O 271570a_203496583355_100010255768 [0,1,0,0,0,0|1,0,1]=3 141 B10R1.13 CC(C)c1ncc(cn1)O 271570a_203496583355_200009814916 [0,1,0,0,0,0|2,0,1]=4 142 B10R1.13 CC(N)c1ccc(cn1)O 271570a_203496583355_100000723930 [0,1,0,0,0,0|1,0,1]=3 143 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [0,1,0,0,0,0|1,0,2]=4 144 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [0,1,0,0,0,0|0,0,2]=3 145 B10R1.13 CN(C)c1ccc(cc1)Br 2230a_100000219623_200000210301 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.13 CN(C)c1ccc(cc1)Br 269982a_100000219623_200000210301 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.13 CN(C)c1ccc(cc1)Br 34a_100000219623_200000210301 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.13 CN(C)c1ccc(cc1)Cl 2230a_100020629279_200000210301 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.13 CN(C)c1ccc(cc1)Cl 269982a_100020629279_200000210301 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.13 CN(C)c1ccc(cc1)Cl 34a_100020629279_200000210301 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.13 CN(C)c1ccc(cc1)F 2230a_100000219829_200000210301 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.13 CN(C)c1ccc(cc1)F 269982a_100000219829_200000210301 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.13 CN(C)c1ccc(cc1)F 34a_100000219829_200000210301 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.13 CN(C)c1ccc(cc1)I 2230a_100000743151_200000210301 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.13 CN(C)c1ccc(cc1)I 269982a_100000743151_200000210301 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.13 CN(C)c1ccc(cc1)I 34a_100000743151_200000210301 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.13 CN(C)c1ccc(cn1)Br 27a_100102631434_100000686858 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.13 CN(C)c1ccc(cn1)O 271570a_203496583355_100011465347 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.13 CN(C)c1ccc(nn1)O 271570a_203496583355_100000215273 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.13 CN(C)c1cnc(cn1)Br 27a_100102631434_100010187541 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.13 CN(C)c1cnc(cn1)F 27a_100102631434_100009856528 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.13 CN(C)c1cnc(cn1)O 271570a_203496583355_100012356732 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.13 CN(C)c1ncc(cn1)Br 27a_100102631434_100000690281 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.13 CN(C)c1ncc(cn1)Cl 27a_100102631434_100011356929 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.13 CN(C)c1ncc(cn1)F 27a_100102631434_100000685220 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.13 CN(C)c1ncc(cn1)O 271570a_203496583355_100011934759 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.13 CN(N)c1ccc(nn1)O 271570a_203496583355_100000035375 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.13 CN([13CH3])c1ccc(cc1)Br 2230a_100000219623_200025704644 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.13 CN([13CH3])c1ccc(cc1)Br 269982a_100000219623_200025704644 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.13 CN([13CH3])c1ccc(cc1)Br 34a_100000219623_200025704644 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 2230a_100020629279_200025704644 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 269982a_100020629279_200025704644 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 34a_100020629279_200025704644 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.13 CN([13CH3])c1ccc(cc1)F 2230a_100000219829_200025704644 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.13 CN([13CH3])c1ccc(cc1)F 269982a_100000219829_200025704644 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.13 CN([13CH3])c1ccc(cc1)F 34a_100000219829_200025704644 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.13 CN([13CH3])c1ccc(cc1)I 2230a_100000743151_200025704644 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.13 CN([13CH3])c1ccc(cc1)I 269982a_100000743151_200025704644 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.13 CN([13CH3])c1ccc(cc1)I 34a_100000743151_200025704644 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.13 CS(=O)c1ncc(cn1)O 271570a_203496583355_100010117237 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [0,1,0,0,0,0|2,0,1]=4 188 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,1,0,0,0,0|1,0,0]=2 190 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.13 Cc1ccc(nn1)N(C)C 27a_100102631434_100000744512 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.13 Cc1cnc(cn1)N(C)C 27a_100102631434_100000074397 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.13 Cc1cnc(nc1)N(C)C 27a_100102631434_100000061069 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,1,0,0,0,0|1,0,0]=2 201 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.13 OB(O)c1ccc(cn1)O 271570a_203496583355_200010198023 [0,1,0,0,0,0|2,0,1]=4 206 B10R1.13 Oc1ccc(nc1)C(F)F 271570a_203496583355_100010253924 [0,1,0,0,0,0|2,0,1]=4 207 B10R1.13 [13CH3]C(=O)C1=NNC(=O)CC1 1458a_100000183032_200025704644 [0,1,0,0,0,0|1,0,2]=4 208 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,1,0,0,0,0|1,0,0]=2 209 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,1,0,0,0,0|1,0,0]=2 210 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,1,0,0,0,0|1,0,0]=2 211 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,1,0,0,0,0|1,0,0]=2 212 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,1,0,0,0,0|1,0,0]=2 213 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [0,1,0,0,0,0|1,0,1]=3 214 B10R1.15 CC(N[13CH3])c1ncccn1 2230a_100020641698_200025704644 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,1,0,0,0,0|1,1,1]=4 216 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,1,0,0,0,0|1,1,1]=4 217 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200000703233_200025704644 [0,1,0,0,0,0|1,1,1]=4 218 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200025704644_200000703233 [0,1,0,0,0,0|1,1,1]=4 219 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,1,0,0,0,0|1,0,0]=2 220 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,1,0,0,0,0|1,0,0]=2 232 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,1,0,0,0,0|1,0,0]=2 233 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,1,0,0,0,0|1,0,0]=2 234 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,1,0,0,0,0|1,0,0]=2 235 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [0,1,0,0,0,0|2,0,1]=4 237 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [0,1,0,0,0,0|2,0,1]=4 238 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [0,1,0,0,0,0|2,0,1]=4 239 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [0,1,0,0,0,0|1,0,1]=3 240 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [0,1,0,0,0,0|1,0,1]=3 241 B10R1.15 CNC(C)c1cccnn1 269862a_106832991636_100009866853 [0,1,0,0,0,0|2,0,1]=4 242 B10R1.15 CNC(C)c1cnccn1 2230a_106832991635_200000703233 [0,1,0,0,0,0|2,0,1]=4 243 B10R1.15 CNC(C)c1cnccn1 269862a_106832991636_100000751083 [0,1,0,0,0,0|2,0,1]=4 244 B10R1.15 CNC(C)c1cnccn1 7a_106832991635_200000703233 [0,1,0,0,0,0|2,0,1]=4 245 B10R1.15 CNC(C)c1ncccn1 2230a_100020641698_200000210301 [0,1,0,0,0,0|2,0,1]=4 246 B10R1.15 CNC(C)c1ncccn1 270004a_106832991635_100011350828 [0,1,0,0,0,0|2,0,1]=4 247 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [0,1,0,0,0,0|2,0,1]=4 248 B10R1.15 CN[C@H](C)c1cnccn1 2230a_100020589798_200000210301 [0,1,0,0,0,0|2,0,1]=4 249 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,1,0,0,0,0|1,0,2]=4 250 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,1,0,0,0,0|1,0,2]=4 251 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,1,0,0,0,0|1,0,2]=4 252 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,1,0,0,0,0|1,1,1]=4 253 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,1,0,0,0,0|1,1,1]=4 254 B10R1.15 CSC(C)c1cnccn1 62a_200000210301_200000703233 [0,1,0,0,0,0|1,1,1]=4 255 B10R1.15 CSC(C)c1cnccn1 62a_200000703233_200000210301 [0,1,0,0,0,0|1,1,1]=4 256 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [0,1,0,0,0,0|2,0,1]=4 257 B10R1.15 C[C@@H](N[13CH3])c1cnccn1 2230a_100020589798_200025704644 [0,1,0,0,0,0|2,0,1]=4 258 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,1,0,0,0,0|1,0,2]=4 259 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,1,0,0,0,0|1,0,2]=4 260 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,1,0,0,0,0|1,0,0]=2 261 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [0,1,0,0,0,0|1,0,1]=3 265 B10R1.61 C=C(C)c1cccc[n+]1[O-] 271570a_100000694244_200000042595 [0,1,0,0,0,0|1,0,1]=3 266 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [0,1,0,0,0,0|2,0,0]=3 268 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [0,1,0,0,0,0|2,0,0]=3 269 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [0,1,0,0,0,0|2,0,0]=3 270 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [0,1,0,0,0,0|2,0,0]=3 271 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [0,1,0,0,0,0|2,0,0]=3 272 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [0,1,0,0,0,0|3,0,0]=4 274 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [0,1,0,0,0,0|3,0,0]=4 275 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [0,1,0,0,0,0|3,0,0]=4 276 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.61 C=C(C)c1ccncc1Br 271570a_100000694244_100000726257 [0,1,0,0,0,0|3,0,0]=4 278 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.61 C=C(C)c1ccncc1Cl 271570a_100000694244_100000708259 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.61 C=C(C)c1ccncc1F 271570a_100000694244_100000047030 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.61 C=C(C)c1ccncc1N 271570a_100000694244_100009815883 [0,1,0,0,0,0|3,0,0]=4 282 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [0,1,0,0,0,0|3,0,0]=4 286 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.61 C=C(C)c1ncc[nH]c1=O 271570a_100000694244_100000763361 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [0,1,0,0,0,0|1,0,0]=2 290 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [0,1,0,0,0,0|1,0,0]=2 291 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [0,1,0,0,0,0|1,0,0]=2 292 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [0,1,0,0,0,0|1,0,0]=2 293 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [0,1,0,0,0,0|1,0,0]=2 294 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [0,1,0,0,0,0|1,0,0]=2 295 B10R1.61 C=C(C)c1nccnc1C 271570a_100000694244_100011999405 [0,1,0,0,0,0|2,0,0]=3 296 B10R1.61 C=C(C)c1nccnc1F 271570a_100000694244_200010125657 [0,1,0,0,0,0|2,0,0]=3 297 B10R1.61 C=C(C)c1nccnc1N 271570a_100000694244_100000747729 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.61 C=C(C)c1ncncc1C 271570a_100000694244_100011998708 [0,1,0,0,0,0|2,0,0]=3 299 B10R1.61 C=C(C)c1ncncc1F 271570a_100000694244_100000069762 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.61 C=C(C)c1ncncc1N 271570a_100000694244_100000709731 [0,1,0,0,0,0|2,0,0]=3 301 B10R1.61 C=C(C)c1nnccc1C 271570a_100000694244_100000089043 [0,1,0,0,0,0|2,0,0]=3 302 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,1,0,0,0,0|1,0,0]=2 303 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,1,0,0,0,0|1,0,0]=2 304 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,1,0,0,0,0|1,0,0]=2 305 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,1,0,0,0,0|1,0,0]=2 306 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,1,0,0,0,0|1,0,0]=2 307 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,1,0,0,0,0|1,0,0]=2 308 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,1,0,0,0,0|1,0,0]=2 309 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,1,0,0,0,0|1,0,0]=2 310 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,1,0,0,0,0|2,0,0]=3 311 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [0,1,0,0,0,0|2,0,0]=3 312 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,1,0,0,0,0|2,0,0]=3 313 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,1,0,0,0,0|0,0,0]=1 314 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [0,1,0,0,0,0|1,0,0]=2 315 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [0,1,0,0,0,0|2,0,1]=4 316 B10R1.61 CC(C)c1ncncc1O 271570a_203496583355_100009816988 [0,1,0,0,0,0|2,0,1]=4 317 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [0,1,0,0,0,0|2,0,1]=4 318 B10R1.61 CC(N)c1ncccc1O 271570a_203496583355_100159271932 [0,1,0,0,0,0|1,0,1]=3 319 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [0,1,0,0,0,0|1,0,2]=4 320 B10R1.61 CN(C)c1ccccc1Br 2230a_100020606079_200000210301 [0,1,0,0,0,0|3,0,0]=4 321 B10R1.61 CN(C)c1ccccc1Br 269982a_100020606079_200000210301 [0,1,0,0,0,0|3,0,0]=4 322 B10R1.61 CN(C)c1ccccc1Br 34a_100020606079_200000210301 [0,1,0,0,0,0|3,0,0]=4 323 B10R1.61 CN(C)c1ccccc1Cl 2230a_100000219374_200000210301 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.61 CN(C)c1ccccc1Cl 269982a_100000219374_200000210301 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.61 CN(C)c1ccccc1Cl 34a_100000219374_200000210301 [0,1,0,0,0,0|3,0,0]=4 326 B10R1.61 CN(C)c1ccccc1F 2230a_100000220357_200000210301 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.61 CN(C)c1ccccc1F 269982a_100000220357_200000210301 [0,1,0,0,0,0|3,0,0]=4 328 B10R1.61 CN(C)c1ccccc1F 34a_100000220357_200000210301 [0,1,0,0,0,0|3,0,0]=4 329 B10R1.61 CN(C)c1ccccc1F 38a_100000220357_200000210301 [0,1,0,0,0,0|3,0,0]=4 330 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [0,1,0,0,0,0|3,0,0]=4 331 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.61 CN(C)c1ncccc1Br 27a_100102631434_100000696092 [0,1,0,0,0,0|2,0,0]=3 333 B10R1.61 CN(C)c1ncccc1O 271570a_203496583355_100011465059 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.61 CN(C)c1nccnc1F 27a_100102631434_200010125657 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.61 CN(C)c1nccnc1O 271570a_203496583355_100000703087 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.61 CN(C)c1ncncc1F 27a_100102631434_100000069762 [0,1,0,0,0,0|3,0,0]=4 337 B10R1.61 CN(C)c1ncncc1N 27a_100102631434_100000709731 [0,1,0,0,0,0|3,0,0]=4 338 B10R1.61 CN([13CH3])c1ccccc1Br 2230a_100020606079_200025704644 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.61 CN([13CH3])c1ccccc1Br 269982a_100020606079_200025704644 [0,1,0,0,0,0|3,0,0]=4 340 B10R1.61 CN([13CH3])c1ccccc1Br 34a_100020606079_200025704644 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.61 CN([13CH3])c1ccccc1Cl 2230a_100000219374_200025704644 [0,1,0,0,0,0|3,0,0]=4 342 B10R1.61 CN([13CH3])c1ccccc1Cl 269982a_100000219374_200025704644 [0,1,0,0,0,0|3,0,0]=4 343 B10R1.61 CN([13CH3])c1ccccc1Cl 34a_100000219374_200025704644 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.61 CN([13CH3])c1ccccc1F 2230a_100000220357_200025704644 [0,1,0,0,0,0|3,0,0]=4 345 B10R1.61 CN([13CH3])c1ccccc1F 269982a_100000220357_200025704644 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.61 CN([13CH3])c1ccccc1F 34a_100000220357_200025704644 [0,1,0,0,0,0|3,0,0]=4 347 B10R1.61 CN([13CH3])c1ccccc1F 38a_100000220357_200025704644 [0,1,0,0,0,0|3,0,0]=4 348 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [0,1,0,0,0,0|3,0,0]=4 349 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [0,1,0,0,0,0|2,0,0]=3 350 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [0,1,0,0,0,0|0,0,2]=3 351 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,1,0,0,0,0|1,0,0]=2 352 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [0,1,0,0,0,0|3,0,0]=4 353 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [0,1,0,0,0,0|3,0,0]=4 354 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [0,1,0,0,0,0|3,0,0]=4 355 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [0,1,0,0,0,0|3,0,0]=4 356 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [0,1,0,0,0,0|3,0,0]=4 357 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.61 Cc1ccnnc1N(C)C 27a_100102631434_100000089043 [0,1,0,0,0,0|3,0,0]=4 359 B10R1.61 Cc1cncnc1N(C)C 27a_100102631434_100011998708 [0,1,0,0,0,0|3,0,0]=4 360 B10R1.61 Cc1nccnc1N(C)C 27a_100102631434_100011999405 [0,1,0,0,0,0|3,0,0]=4 361 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [0,1,0,0,0,0|2,0,0]=3 362 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,1,0,0,0,0|3,0,0]=4 363 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [0,1,0,0,0,0|3,0,0]=4 365 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,1,0,0,0,0|1,0,0]=2 366 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [0,1,0,0,0,0|2,0,0]=3 367 B10R1.61 Oc1cccnc1C(F)F 271570a_203496583355_100010079810 [0,1,0,0,0,0|2,0,1]=4 368 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,1,0,0,0,0|1,0,0]=2 369 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,1,0,0,0,0|1,0,0]=2 370 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,1,0,0,0,0|1,0,0]=2 371 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,1,0,0,0,0|1,0,0]=2 372 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,1,0,0,0,0|1,0,0]=2 373 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,1,0,0,0,0|1,0,0]=2 374 B10R1.113 C=C(C)c1c[n+](ccn1)[O-] 271570a_100000694244_100009880115 [0,1,0,0,0,0|2,0,0]=3 375 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [0,1,0,0,0,0|1,0,0]=2 376 B10R1.113 C=C(C)c1cc(ccn1)Cl 271570a_100000694244_100010167805 [0,1,0,0,0,0|1,0,0]=2 377 B10R1.113 C=C(C)c1cc(ccn1)F 271570a_100000694244_100009817058 [0,1,0,0,0,0|1,0,0]=2 378 B10R1.113 C=C(C)c1cc(ccn1)N 271570a_100000694244_100009814236 [0,1,0,0,0,0|1,0,0]=2 379 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [0,1,0,0,0,0|1,0,0]=2 380 B10R1.113 C=C(C)c1cc(cnn1)C 271570a_100000694244_100000070100 [0,1,0,0,0,0|2,0,0]=3 381 B10R1.113 C=C(C)c1cc(cnn1)O 271570a_100000694244_200010734679 [0,1,0,0,0,0|2,0,0]=3 382 B10R1.113 C=C(C)c1cc(ncn1)C 271570a_100000694244_100000744208 [0,1,0,0,0,0|2,0,0]=3 383 B10R1.113 C=C(C)c1cc(ncn1)F 271570a_100000694244_200009880791 [0,1,0,0,0,0|2,0,0]=3 384 B10R1.113 C=C(C)c1cc(ncn1)N 271570a_100000694244_100000701291 [0,1,0,0,0,0|2,0,0]=3 385 B10R1.113 C=C(C)c1cc(ncn1)O 271570a_100000694244_100000765262 [0,1,0,0,0,0|2,0,0]=3 386 B10R1.113 C=C(C)c1cc[nH]c(=O)c1 271570a_100000694244_100009816521 [0,1,0,0,0,0|3,0,0]=4 387 B10R1.113 C=C(C)c1cc[nH]c(=O)n1 271570a_100000694244_200000134032 [0,1,0,0,0,0|2,0,0]=3 388 B10R1.113 C=C(C)c1ccc[n+](c1)C 271570a_100000694244_100009996589 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.113 C=C(C)c1ccc[n+](c1)[O-] 271570a_100000694244_100009815978 [0,1,0,0,0,0|3,0,0]=4 390 B10R1.113 C=C(C)c1cccc(=O)[nH]1 271570a_100000694244_100000761760 [0,1,0,0,0,0|1,0,1]=3 391 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [0,1,0,0,0,0|2,0,0]=3 392 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [0,1,0,0,0,0|2,0,0]=3 393 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [0,1,0,0,0,0|2,0,0]=3 394 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [0,1,0,0,0,0|2,0,0]=3 395 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [0,1,0,0,0,0|2,0,0]=3 396 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [0,1,0,0,0,0|2,0,0]=3 397 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [0,1,0,0,0,0|2,0,0]=3 398 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [0,1,0,0,0,0|2,0,0]=3 399 B10R1.113 C=C(C)c1cccc(n1)Br 271570a_100000694244_100000684672 [0,1,0,0,0,0|1,0,0]=2 400 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [0,1,0,0,0,0|1,0,0]=2 401 B10R1.113 C=C(C)c1cccc(n1)F 271570a_100000694244_100009815982 [0,1,0,0,0,0|1,0,0]=2 402 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [0,1,0,0,0,0|1,0,0]=2 403 B10R1.113 C=C(C)c1ccnc(c1)Br 271570a_100000694244_100009814637 [0,1,0,0,0,0|3,0,0]=4 404 B10R1.113 C=C(C)c1ccnc(c1)C 271570a_100000694244_100000758586 [0,1,0,0,0,0|3,0,0]=4 405 B10R1.113 C=C(C)c1ccnc(c1)Cl 271570a_100000694244_100000035001 [0,1,0,0,0,0|3,0,0]=4 406 B10R1.113 C=C(C)c1ccnc(c1)F 271570a_100000694244_100009816116 [0,1,0,0,0,0|3,0,0]=4 407 B10R1.113 C=C(C)c1ccnc(c1)N 271570a_100000694244_100000744379 [0,1,0,0,0,0|3,0,0]=4 408 B10R1.113 C=C(C)c1ccnc(n1)C 271570a_100000694244_100000749937 [0,1,0,0,0,0|2,0,0]=3 409 B10R1.113 C=C(C)c1ccnc(n1)N 271570a_100000694244_100009820717 [0,1,0,0,0,0|2,0,0]=3 410 B10R1.113 C=C(C)c1cncc(c1)Br 271570a_100000694244_100000728054 [0,1,0,0,0,0|3,0,0]=4 411 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [0,1,0,0,0,0|3,0,0]=4 412 B10R1.113 C=C(C)c1cncc(c1)Cl 271570a_100000694244_100000049639 [0,1,0,0,0,0|3,0,0]=4 413 B10R1.113 C=C(C)c1cncc(c1)F 271570a_100000694244_100000744099 [0,1,0,0,0,0|3,0,0]=4 414 B10R1.113 C=C(C)c1cncc(c1)N 271570a_100000694244_100000687067 [0,1,0,0,0,0|3,0,0]=4 415 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [0,1,0,0,0,0|3,0,0]=4 416 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [0,1,0,0,0,0|3,0,0]=4 417 B10R1.113 C=C(C)c1cncc(n1)C 271570a_100000694244_100009842155 [0,1,0,0,0,0|2,0,0]=3 418 B10R1.113 C=C(C)c1cncc(n1)F 271570a_100000694244_200009863489 [0,1,0,0,0,0|2,0,0]=3 419 B10R1.113 C=C(C)c1cncc(n1)N 271570a_100000694244_100009819714 [0,1,0,0,0,0|2,0,0]=3 420 B10R1.113 C=C(C)c1cncc(n1)O 271570a_100000694244_100011269956 [0,1,0,0,0,0|2,0,0]=3 421 B10R1.113 C=C(C)c1nccc(n1)C 271570a_100000694244_100011243806 [0,1,0,0,0,0|2,0,0]=3 422 B10R1.113 C=C(C)c1nccc(n1)N 271570a_100000694244_100000757536 [0,1,0,0,0,0|2,0,0]=3 423 B10R1.113 C=C(C)c1nccc(n1)O 271570a_100000694244_100011649813 [0,1,0,0,0,0|2,0,0]=3 424 B10R1.113 C=C(C)c1ncnc(n1)N 271570a_100000694244_100000123831 [0,1,0,0,0,0|3,0,0]=4 425 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,1,0,0,0,0|0,0,0]=1 426 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,1,0,0,0,0|1,0,0]=2 427 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,1,0,0,0,0|1,0,0]=2 428 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,1,0,0,0,0|1,0,0]=2 429 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,1,0,0,0,0|1,0,0]=2 430 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,1,0,0,0,0|1,0,0]=2 431 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,1,0,0,0,0|1,0,0]=2 432 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,1,0,0,0,0|1,0,0]=2 433 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,1,0,0,0,0|0,0,0]=1 434 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,1,0,0,0,0|2,0,0]=3 435 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [0,1,0,0,0,0|1,0,0]=2 436 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,1,0,0,0,0|2,0,0]=3 437 B10R1.113 CC(C)c1cc(ccn1)O 271570a_203496583355_100010237922 [0,1,0,0,0,0|1,0,1]=3 438 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [0,1,0,0,0,0|2,0,1]=4 439 B10R1.113 CC(C)c1cccc(n1)O 271570a_203496583355_100012318657 [0,1,0,0,0,0|1,0,1]=3 440 B10R1.113 CC(C)c1ccnc(n1)O 271570a_203496583355_100011935126 [0,1,0,0,0,0|2,0,1]=4 441 B10R1.113 CC(C)c1cncc(n1)O 271570a_203496583355_100012056704 [0,1,0,0,0,0|2,0,1]=4 442 B10R1.113 CC(C)c1nccc(n1)O 271570a_203496583355_100000752938 [0,1,0,0,0,0|2,0,1]=4 443 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [0,1,0,0,0,0|2,0,1]=4 444 B10R1.113 CC(N)c1cccc(n1)O 271570a_203496583355_200010173468 [0,1,0,0,0,0|1,0,1]=3 445 B10R1.113 CC(O)c1cc(ccn1)O 271570a_203496583355_100000144657 [0,1,0,0,0,0|0,0,2]=3 446 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [0,1,0,0,0,0|1,0,2]=4 447 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [0,1,0,0,0,0|0,0,2]=3 448 B10R1.113 CN(C)c1c[n+](ccn1)[O-] 27a_100102631434_100009880115 [0,1,0,0,0,0|3,0,0]=4 449 B10R1.113 CN(C)c1cc(ccn1)F 27a_100102631434_100000764206 [0,1,0,0,0,0|2,0,0]=3 450 B10R1.113 CN(C)c1cc(ccn1)O 271570a_203496583355_100012361627 [0,1,0,0,0,0|2,0,0]=3 451 B10R1.113 CN(C)c1cc(ncn1)F 27a_100102631434_200009880791 [0,1,0,0,0,0|3,0,0]=4 452 B10R1.113 CN(C)c1cc(ncn1)N 27a_100102631434_100000701291 [0,1,0,0,0,0|3,0,0]=4 453 B10R1.113 CN(C)c1cc(ncn1)O 271570a_203496583355_100011443277 [0,1,0,0,0,0|3,0,0]=4 454 B10R1.113 CN(C)c1cc(ncn1)O 27a_100102631434_100000765262 [0,1,0,0,0,0|3,0,0]=4 455 B10R1.113 CN(C)c1cc[nH]c(=O)n1 27a_100102631434_200000134032 [0,1,0,0,0,0|3,0,0]=4 456 B10R1.113 CN(C)c1cccc(c1)Br 2230a_100000219648_200000210301 [0,1,0,0,0,0|3,0,0]=4 457 B10R1.113 CN(C)c1cccc(c1)Br 269982a_100000219648_200000210301 [0,1,0,0,0,0|3,0,0]=4 458 B10R1.113 CN(C)c1cccc(c1)Br 34a_100000219648_200000210301 [0,1,0,0,0,0|3,0,0]=4 459 B10R1.113 CN(C)c1cccc(c1)Cl 2230a_100000220044_200000210301 [0,1,0,0,0,0|3,0,0]=4 460 B10R1.113 CN(C)c1cccc(c1)Cl 269982a_100000220044_200000210301 [0,1,0,0,0,0|3,0,0]=4 461 B10R1.113 CN(C)c1cccc(c1)Cl 34a_100000220044_200000210301 [0,1,0,0,0,0|3,0,0]=4 462 B10R1.113 CN(C)c1cccc(c1)F 2230a_100020633736_200000210301 [0,1,0,0,0,0|3,0,0]=4 463 B10R1.113 CN(C)c1cccc(c1)F 269982a_100020633736_200000210301 [0,1,0,0,0,0|3,0,0]=4 464 B10R1.113 CN(C)c1cccc(c1)F 34a_100020633736_200000210301 [0,1,0,0,0,0|3,0,0]=4 465 B10R1.113 CN(C)c1cccc(c1)I 2230a_100000221217_200000210301 [0,1,0,0,0,0|3,0,0]=4 466 B10R1.113 CN(C)c1cccc(c1)I 269982a_100000221217_200000210301 [0,1,0,0,0,0|3,0,0]=4 467 B10R1.113 CN(C)c1cccc(c1)I 34a_100000221217_200000210301 [0,1,0,0,0,0|3,0,0]=4 468 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [0,1,0,0,0,0|3,0,0]=4 469 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [0,1,0,0,0,0|3,0,0]=4 470 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [0,1,0,0,0,0|3,0,0]=4 471 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [0,1,0,0,0,0|3,0,0]=4 472 B10R1.113 CN(C)c1cccc(n1)F 27a_100102631434_100009815982 [0,1,0,0,0,0|2,0,0]=3 473 B10R1.113 CN(C)c1cccc(n1)O 271570a_203496583355_100011960435 [0,1,0,0,0,0|2,0,0]=3 474 B10R1.113 CN(C)c1ccnc(n1)N 27a_100102631434_100000055538 [0,1,0,0,0,0|3,0,0]=4 475 B10R1.113 CN(C)c1ccnc(n1)O 271570a_203496583355_100000688391 [0,1,0,0,0,0|3,0,0]=4 476 B10R1.113 CN(C)c1cncc(n1)Cl 27a_100102631434_100010892449 [0,1,0,0,0,0|3,0,0]=4 477 B10R1.113 CN(C)c1cncc(n1)F 27a_100102631434_200009863489 [0,1,0,0,0,0|3,0,0]=4 478 B10R1.113 CN(C)c1cncc(n1)O 271570a_203496583355_100000749133 [0,1,0,0,0,0|3,0,0]=4 479 B10R1.113 CN(C)c1nccc(n1)N 27a_100102631434_100000757536 [0,1,0,0,0,0|3,0,0]=4 480 B10R1.113 CN(C)c1nccc(n1)O 271570a_203496583355_100000757975 [0,1,0,0,0,0|3,0,0]=4 481 B10R1.113 CN(C)c1nccc(n1)O 27a_100102631434_100011649813 [0,1,0,0,0,0|3,0,0]=4 482 B10R1.113 CN([13CH3])c1cccc(c1)Br 2230a_100000219648_200025704644 [0,1,0,0,0,0|3,0,0]=4 483 B10R1.113 CN([13CH3])c1cccc(c1)Br 269982a_100000219648_200025704644 [0,1,0,0,0,0|3,0,0]=4 484 B10R1.113 CN([13CH3])c1cccc(c1)Br 34a_100000219648_200025704644 [0,1,0,0,0,0|3,0,0]=4 485 B10R1.113 CN([13CH3])c1cccc(c1)Cl 2230a_100000220044_200025704644 [0,1,0,0,0,0|3,0,0]=4 486 B10R1.113 CN([13CH3])c1cccc(c1)Cl 269982a_100000220044_200025704644 [0,1,0,0,0,0|3,0,0]=4 487 B10R1.113 CN([13CH3])c1cccc(c1)Cl 34a_100000220044_200025704644 [0,1,0,0,0,0|3,0,0]=4 488 B10R1.113 CN([13CH3])c1cccc(c1)F 2230a_100020633736_200025704644 [0,1,0,0,0,0|3,0,0]=4 489 B10R1.113 CN([13CH3])c1cccc(c1)F 269982a_100020633736_200025704644 [0,1,0,0,0,0|3,0,0]=4 490 B10R1.113 CN([13CH3])c1cccc(c1)F 34a_100020633736_200025704644 [0,1,0,0,0,0|3,0,0]=4 491 B10R1.113 CN([13CH3])c1cccc(c1)I 2230a_100000221217_200025704644 [0,1,0,0,0,0|3,0,0]=4 492 B10R1.113 CN([13CH3])c1cccc(c1)I 269982a_100000221217_200025704644 [0,1,0,0,0,0|3,0,0]=4 493 B10R1.113 CN([13CH3])c1cccc(c1)I 34a_100000221217_200025704644 [0,1,0,0,0,0|3,0,0]=4 494 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [0,1,0,0,0,0|3,0,0]=4 495 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [0,1,0,0,0,0|3,0,0]=4 496 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [0,1,0,0,0,0|3,0,0]=4 497 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [0,1,0,0,0,0|2,0,0]=3 498 B10R1.113 Cc1cc(ncn1)N(C)C 27a_100102631434_100000744208 [0,1,0,0,0,0|3,0,0]=4 499 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,1,0,0,0,0|1,0,0]=2 500 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [0,1,0,0,0,0|3,0,0]=4 501 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [0,1,0,0,0,0|3,0,0]=4 502 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [0,1,0,0,0,0|3,0,0]=4 503 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [0,1,0,0,0,0|3,0,0]=4 504 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [0,1,0,0,0,0|3,0,0]=4 505 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [0,1,0,0,0,0|3,0,0]=4 506 B10R1.113 Cc1ccnc(n1)N(C)C 27a_100102631434_100000750684 [0,1,0,0,0,0|3,0,0]=4 507 B10R1.113 Cc1cncc(n1)N(C)C 27a_100102631434_100000754123 [0,1,0,0,0,0|3,0,0]=4 508 B10R1.113 Cc1cnnc(c1)N(C)C 27a_100102631434_100000070100 [0,1,0,0,0,0|3,0,0]=4 509 B10R1.113 Cc1nccc(n1)N(C)C 27a_100102631434_100000749937 [0,1,0,0,0,0|3,0,0]=4 510 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,1,0,0,0,0|1,0,0]=2 511 B10R1.113 NC(=O)c1cc(ncn1)O 271570a_203496583355_100000725265 [0,1,0,0,0,0|2,0,0]=3 512 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,1,0,0,0,0|2,0,0]=3 513 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,1,0,0,0,0|1,0,0]=2 514 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [0,1,0,0,0,0|3,0,0]=4 515 B10R1.113 NC(=O)c1ccnc(n1)O 271570a_203496583355_100000066158 [0,1,0,0,0,0|2,0,0]=3 516 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,1,0,0,0,0|3,0,0]=4 517 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [0,1,0,0,0,0|2,0,0]=3 518 B10R1.113 OB(O)c1cccc(n1)O 271570a_203496583355_100000117343 [0,1,0,0,0,0|2,0,1]=4 519 B10R1.113 Oc1cccc(n1)C(F)F 271570a_203496583355_100010208565 [0,1,0,0,0,0|2,0,1]=4 520 B10R1.113 Oc1ccnc(c1)C(F)F 271570a_203496583355_100010136062 [0,1,0,0,0,0|2,0,1]=4 521 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,1,0,0,0,0|1,0,0]=2 522 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,1,0,0,0,0|1,0,0]=2 523 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,1,0,0,0,0|1,0,0]=2 524 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,1,0,0,0,0|1,0,0]=2 525 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,1,0,0,0,0|1,0,0]=2 526 B8R0.8 C=CC=CC(=O)C(C)C 1458a_100016291481_100000210206 [0,0,1,0,0,0|2,0,1]=4 527 B8R0.8 C=CC=CC(=O)N(C)C 1626a_100102631434_100016291481 [0,0,1,0,0,0|3,0,0]=4 528 B10R2.6 c1cc(ncn1)C2CC2 271570a_100011220607_100000703185 [0,0,0,1,0,0|2,0,1]=4 529 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [0,0,0,1,0,0|2,0,1]=4 530 B10R2.6 c1ccc(nc1)C2CC2 271570a_100011220607_100011216584 [0,0,0,1,0,0|1,0,1]=3 531 B10R2.6 c1cnc(cn1)C2CC2 271570a_100011220607_100000758340 [0,0,0,1,0,0|2,0,1]=4 532 B10R2.6 c1cnc(nc1)C2CC2 271570a_100011220607_100000211032 [0,0,0,1,0,0|2,0,1]=4 533 B10R2.6 c1cnnc(c1)C2CC2 271570a_100011220607_100016991348 [0,0,0,1,0,0|2,0,1]=4 534 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [0,0,0,0,1,0|2,0,0]=3 535 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [0,0,0,0,1,0|2,0,0]=3 536 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,0,0,0,1,0|2,0,0]=3 537 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,0,0,0,1,0|2,0,0]=3 538 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [0,0,0,0,1,0|2,0,0]=3 539 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [0,0,0,0,1,0|2,0,0]=3 540 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [0,0,0,0,1,0|2,0,0]=3 541 B8R1.7 C=C(C)c1cn[nH]c1 271570a_100000694244_100000238712 [0,0,0,0,1,0|3,0,0]=4 542 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [0,0,0,0,1,0|3,0,0]=4 543 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [0,0,0,0,1,0|3,0,0]=4 544 B8R1.7 C=C(C)c1cnoc1 271570a_100000694244_100009815712 [0,0,0,0,1,0|3,0,0]=4 545 B8R1.7 C=C(C)c1cnsc1 271570a_100000694244_100009815736 [0,0,0,0,1,0|3,0,0]=4 546 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [0,0,0,0,1,0|2,0,0]=3 547 B8R1.7 C=C(C)c1nc[nH]n1 271570a_100000694244_100000761765 [0,0,0,0,1,0|3,0,0]=4 548 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [0,0,0,0,1,0|2,0,0]=3 549 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [0,0,0,0,1,0|2,0,0]=3 550 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [0,0,0,0,1,0|2,0,0]=3 551 B8R1.7 C=C(C)c1ncns1 271570a_100000694244_100000693119 [0,0,0,0,1,0|3,0,0]=4 552 B8R1.7 C=C(C)c1nncs1 271570a_100000694244_100000739804 [0,0,0,0,1,0|3,0,0]=4 553 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,0,1,0|0,0,3]=4 554 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,0,0,1,0|1,0,2]=4 555 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,0,0,0,1,0|1,0,2]=4 556 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,0,0,0,1,0|0,0,3]=4 557 B8R1.7 CC(=O)N1CC=CC1 1626a_100015195280_100015343762 [0,0,0,0,1,0|1,0,2]=4 558 B8R1.7 CC(=O)N1CC=CC1 240690a_100015195280_100015343762 [0,0,0,0,1,0|1,0,2]=4 559 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,0,1,0|0,0,3]=4 560 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,0,0,1,0|1,0,2]=4 561 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,0,0,0,1,0|1,0,2]=4 562 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,0,0,0,1,0|0,0,3]=4 563 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [0,0,0,0,0,1|2,0,0]=3 564 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [0,0,0,0,0,1|1,0,0]=2 565 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [0,0,0,0,0,1|3,0,0]=4 566 B10R1.18 CC(=Cc1cccnn1)C 271570a_100102525489_100016991348 [0,0,0,0,0,1|2,0,0]=3 567 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [0,0,0,0,0,1|3,0,0]=4 568 B10R1.18 CC(=Cc1ccncn1)C 271570a_100102525489_100000703185 [0,0,0,0,0,1|2,0,0]=3 569 B10R1.18 CC(=Cc1cnccn1)C 271570a_100102525489_100000758340 [0,0,0,0,0,1|2,0,0]=3 570 B10R1.18 CC(=Cc1ncccn1)C 271570a_100102525489_100000211032 [0,0,0,0,0,1|2,0,0]=3 571 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [0,0,0,0,0,1|2,0,0]=3 572 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,0,1|1,0,0]=2 573 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,0,1|0,0,0]=1 574 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,0,1|0,0,0]=1 575 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,0,1|2,0,0]=3 576 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,0,1|2,0,0]=3 577 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [0,0,0,0,0,1|1,0,0]=2 578 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,0,0,0,0,1|2,0,0]=3 579 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [0,0,0,0,0,1|1,0,0]=2 580 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [0,0,0,0,0,1|3,0,0]=4 581 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [0,0,0,0,0,1|3,0,0]=4 582 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [0,0,0,0,0,1|1,0,0]=2 583 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,0,1|1,0,0]=2 584 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,0,1|1,0,0]=2 585 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,0,1|1,0,0]=2 586 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,0,1|1,0,0]=2 587 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [0,0,0,0,0,1|2,0,1]=4 588 B10R1.18 CC(C)Nc1cccnn1 27a_100138425928_100016991348 [0,0,0,0,0,1|2,0,1]=4 589 B10R1.18 CC(C)Nc1ccncn1 27a_100138425928_100000703185 [0,0,0,0,0,1|2,0,1]=4 590 B10R1.18 CC(C)Nc1cnccn1 27a_100138425928_100000211759 [0,0,0,0,0,1|2,0,1]=4 591 B10R1.18 CC(C)Nc1ncccn1 27a_100138425928_100000211032 [0,0,0,0,0,1|2,0,1]=4 592 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [0,0,0,0,0,1|2,0,1]=4 593 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [0,0,0,0,0,1|2,0,1]=4 594 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [0,0,0,0,0,1|2,0,1]=4 595 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [0,0,0,0,0,1|2,0,1]=4 596 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [0,0,0,0,0,1|1,0,1]=3 597 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [0,0,0,0,0,1|1,0,1]=3 598 B10R1.18 CC(C)Sc1cccnn1 62a_100000210206_100016991348 [0,0,0,0,0,1|2,0,1]=4 599 B10R1.18 CC(C)Sc1cccnn1 62a_100016991348_100000210206 [0,0,0,0,0,1|2,0,1]=4 600 B10R1.18 CC(C)Sc1ccncn1 62a_100000210206_100000703185 [0,0,0,0,0,1|2,0,1]=4 601 B10R1.18 CC(C)Sc1ccncn1 62a_100000703185_100000210206 [0,0,0,0,0,1|2,0,1]=4 602 B10R1.18 CC(C)Sc1cnccn1 62a_100000210206_100000211759 [0,0,0,0,0,1|2,0,1]=4 603 B10R1.18 CC(C)Sc1cnccn1 62a_100000211759_100000210206 [0,0,0,0,0,1|2,0,1]=4 604 B10R1.18 CC(C)Sc1ncccn1 62a_100000210206_100000211032 [0,0,0,0,0,1|2,0,1]=4 605 B10R1.18 CC(C)Sc1ncccn1 62a_100000211032_100000210206 [0,0,0,0,0,1|2,0,1]=4 606 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [0,0,0,0,0,1|3,0,0]=4 607 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [0,0,0,0,0,1|3,0,0]=4 608 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [0,0,0,0,0,1|3,0,0]=4 609 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [0,0,0,0,0,1|3,0,0]=4 610 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [0,0,0,0,0,1|3,0,0]=4 611 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [0,0,0,0,0,1|2,0,0]=3 612 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [0,0,0,0,0,1|2,0,0]=3 613 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [0,0,0,0,0,1|2,0,0]=3 614 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [0,0,0,0,0,1|2,0,0]=3 615 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [0,0,0,0,0,1|2,0,0]=3 616 B10R1.18 CN(C)Cc1cccnn1 2230a_100102631434_100016990269 [0,0,0,0,0,1|3,0,0]=4 617 B10R1.18 CN(C)Cc1cnccn1 2230a_100011269079_200000210301 [0,0,0,0,0,1|3,0,0]=4 618 B10R1.18 CN(C)Cc1cnccn1 2230a_100102631434_100016995436 [0,0,0,0,0,1|3,0,0]=4 619 B10R1.18 CN(C)Cc1cnccn1 269982a_100011269079_200000210301 [0,0,0,0,0,1|3,0,0]=4 620 B10R1.18 CN(C)Cc1cnccn1 269982a_100102631434_100016995436 [0,0,0,0,0,1|3,0,0]=4 621 B10R1.18 CN(C)Cc1cnccn1 270004a_100102631434_100000749867 [0,0,0,0,0,1|3,0,0]=4 622 B10R1.18 CN(C)Cc1ncccn1 2230a_100025716638_200000210301 [0,0,0,0,0,1|3,0,0]=4 623 B10R1.18 CN(C)Cc1ncccn1 2230a_100102631434_100000703007 [0,0,0,0,0,1|3,0,0]=4 624 B10R1.18 CN(C)Cc1ncccn1 269982a_100025716638_200000210301 [0,0,0,0,0,1|3,0,0]=4 625 B10R1.18 CN(C)Cc1ncccn1 269982a_100102631434_100000703007 [0,0,0,0,0,1|3,0,0]=4 626 B10R1.18 CN(C)Cc1ncccn1 270004a_100102631434_100011532527 [0,0,0,0,0,1|3,0,0]=4 627 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [0,0,0,0,0,1|3,0,0]=4 628 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [0,0,0,0,0,1|3,0,0]=4 629 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [0,0,0,0,0,1|2,0,0]=3 630 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [0,0,0,0,0,1|2,0,0]=3 631 B10R1.18 CN([13CH3])Cc1cnccn1 2230a_100011269079_200025704644 [0,0,0,0,0,1|3,0,0]=4 632 B10R1.18 CN([13CH3])Cc1cnccn1 269982a_100011269079_200025704644 [0,0,0,0,0,1|3,0,0]=4 633 B10R1.18 CN([13CH3])Cc1ncccn1 2230a_100025716638_200025704644 [0,0,0,0,0,1|3,0,0]=4 634 B10R1.18 CN([13CH3])Cc1ncccn1 269982a_100025716638_200025704644 [0,0,0,0,0,1|3,0,0]=4 635 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [0,0,0,0,0,1|2,0,0]=3 636 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,0,1|0,0,0]=1 637 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,0,1|2,0,0]=3 638 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [0,0,0,0,0,1|3,0,0]=4 639 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,1,0,0,0|0,0,1]=3 640 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,1,0,0,0|0,0,1]=3 641 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [1,0,1,0,0,0|1,0,1]=4 642 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [1,0,1,0,0,0|2,0,0]=4 643 B7R1.3 Oc1ccccc1 271570a_203496583355_100000210277 [2,0,0,0,0,0|1,0,1]=4 644 B7R1.3 Oc1ccccn1 271570a_203496583355_100011216584 [2,0,0,0,0,0|0,0,1]=3 645 B7R1.3 Oc1cccnn1 271570a_203496583355_100016991348 [2,0,0,0,0,0|1,0,1]=4 646 B7R1.3 Oc1ccncn1 271570a_203496583355_100000703185 [2,0,0,0,0,0|1,0,1]=4 647 B7R1.3 Oc1cnccn1 271570a_203496583355_100000758340 [2,0,0,0,0,0|1,0,1]=4 648 B7R1.3 Oc1ncccn1 271570a_203496583355_100000211032 [2,0,0,0,0,0|1,0,1]=4 649 B9R0.1 C/C=C(\C)/C=NNC(=O)C 4a_100000189765_100020587592 [0,1,1,0,0,0|1,0,1]=4 650 B9R0.1 CC(=O)NN=C/C(=C\N)/C 4a_100000189765_100050415766 [0,1,1,0,0,0|2,0,0]=4 651 B9R0.2 C=CCCC=NNC(=O)C 4a_100000189765_100011216789 [0,1,1,0,0,0|1,0,1]=4 652 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [0,1,1,0,0,0|1,0,1]=4 653 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [0,1,1,0,0,0|1,0,1]=4 654 B9R0.2 CCC=CC=NNC(=O)C 4a_100000189765_100011216943 [0,1,1,0,0,0|1,0,1]=4 655 B9R0.48 CC=CC(=NNC(=O)C)C 4a_100000189765_100011218416 [0,1,1,0,0,0|1,0,1]=4 656 B9R0.55 CC(=O)NN=CC=C(C)C 4a_100000189765_100011215525 [0,1,1,0,0,0|1,0,1]=4 657 B9R0.42 C=CC(=O)CC(=O)C(=O)C 1458a_100000185746_100011261029 [0,1,1,0,0,0|1,0,1]=4 658 B9R0.15 C=CCN(CC=C)C(=O)C 11a_100000210471_100015343762 [0,1,1,0,0,0|2,0,0]=4 659 B9R0.15 C=CCN(CC=C)C(=O)C 1626a_100000210471_100015343762 [0,1,1,0,0,0|2,0,0]=4 660 B9R0.15 C=CCN(CC=C)C(=O)C 240690a_100000210471_100015343762 [0,1,1,0,0,0|2,0,0]=4 661 B9R0.15 C=CCN(CC=C)C(=O)C 527a_100000210471_100103153847 [0,1,1,0,0,0|2,0,0]=4 662 B9R1.1 C=Cc1ccc(=O)[nH]n1 271570a_100011290941_100009820020 [1,1,0,0,0,0|1,0,1]=4 663 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [1,1,0,0,0,0|1,0,1]=4 664 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [1,1,0,0,0,0|1,0,1]=4 665 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [1,1,0,0,0,0|1,0,1]=4 666 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [1,1,0,0,0,0|1,0,1]=4 667 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [1,1,0,0,0,0|1,0,1]=4 668 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [1,1,0,0,0,0|1,0,1]=4 669 B9R1.1 C=Cc1ccc(cn1)Br 271570a_100011290941_100000686858 [1,1,0,0,0,0|0,0,1]=3 670 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [1,1,0,0,0,0|0,0,1]=3 671 B9R1.1 C=Cc1ccc(cn1)Cl 271570a_100011290941_100011356976 [1,1,0,0,0,0|0,0,1]=3 672 B9R1.1 C=Cc1ccc(cn1)F 271570a_100011290941_100000744514 [1,1,0,0,0,0|0,0,1]=3 673 B9R1.1 C=Cc1ccc(cn1)N 271570a_100011290941_100000744251 [1,1,0,0,0,0|0,0,1]=3 674 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [1,1,0,0,0,0|0,0,1]=3 675 B9R1.1 C=Cc1ccc(nn1)C 271570a_100011290941_100011450037 [1,1,0,0,0,0|1,0,1]=4 676 B9R1.1 C=Cc1ccc(nn1)N 271570a_100011290941_100009816609 [1,1,0,0,0,0|1,0,1]=4 677 B9R1.1 C=Cc1cnc(cn1)C 271570a_100011290941_100011999403 [1,1,0,0,0,0|1,0,1]=4 678 B9R1.1 C=Cc1cnc(cn1)F 271570a_100011290941_100009856528 [1,1,0,0,0,0|1,0,1]=4 679 B9R1.1 C=Cc1cnc(cn1)N 271570a_100011290941_100000761932 [1,1,0,0,0,0|1,0,1]=4 680 B9R1.1 C=Cc1ncc(cn1)Br 271570a_100011290941_100000690281 [1,1,0,0,0,0|1,0,1]=4 681 B9R1.1 C=Cc1ncc(cn1)C 271570a_100011290941_100011825175 [1,1,0,0,0,0|1,0,1]=4 682 B9R1.1 C=Cc1ncc(cn1)Cl 271570a_100011290941_100011356929 [1,1,0,0,0,0|1,0,1]=4 683 B9R1.1 C=Cc1ncc(cn1)F 271570a_100011290941_100000685220 [1,1,0,0,0,0|1,0,1]=4 684 B9R1.1 C=Cc1ncc(cn1)N 271570a_100011290941_100000068403 [1,1,0,0,0,0|1,0,1]=4 685 B9R1.1 C=Cc1ncc(cn1)O 271570a_100011290941_100000730009 [1,1,0,0,0,0|1,0,1]=4 686 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [1,1,0,0,0,0|1,0,1]=4 687 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [1,1,0,0,0,0|0,0,1]=3 688 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [1,1,0,0,0,0|2,0,0]=4 692 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [1,1,0,0,0,0|2,0,0]=4 697 B9R1.1 CNc1ccc(cn1)Br 27a_100102657272_100000686858 [1,1,0,0,0,0|1,0,0]=3 698 B9R1.1 CNc1ccc(cn1)O 271570a_203496583355_100000741341 [1,1,0,0,0,0|1,0,0]=3 699 B9R1.1 CNc1ccc(nn1)C 27a_100102657272_100000744512 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.1 CNc1ccc(nn1)O 271570a_203496583355_100000215272 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.1 CNc1cnc(cn1)Br 27a_100102657272_100010187541 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.1 CNc1cnc(cn1)C 27a_100102657272_100000074397 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.1 CNc1cnc(cn1)F 27a_100102657272_100009856528 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.1 CNc1cnc(cn1)O 271570a_203496583355_100012000640 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.1 CNc1ncc(cn1)Br 27a_100102657272_100000690281 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.1 CNc1ncc(cn1)C 27a_100102657272_100000061069 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.1 CNc1ncc(cn1)Cl 27a_100102657272_100011356929 [1,1,0,0,0,0|2,0,0]=4 708 B9R1.1 CNc1ncc(cn1)F 27a_100102657272_100000685220 [1,1,0,0,0,0|2,0,0]=4 709 B9R1.1 CNc1ncc(cn1)O 271570a_203496583355_100000697329 [1,1,0,0,0,0|2,0,0]=4 710 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [1,1,0,0,0,0|2,0,0]=4 711 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [1,1,0,0,0,0|2,0,0]=4 712 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [1,1,0,0,0,0|2,0,0]=4 714 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [1,1,0,0,0,0|2,0,0]=4 715 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [1,1,0,0,0,0|2,0,0]=4 718 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [1,1,0,0,0,0|2,0,0]=4 719 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [1,1,0,0,0,0|2,0,0]=4 720 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [1,1,0,0,0,0|1,0,0]=3 722 B9R1.1 COc1ccc(cn1)Cl 34a_100011215309_200000210301 [1,1,0,0,0,0|1,0,0]=3 723 B9R1.1 COc1ccc(cn1)F 34a_100000742473_200000210301 [1,1,0,0,0,0|1,0,0]=3 724 B9R1.1 COc1ccc(cn1)N 34a_100000729260_200000210301 [1,1,0,0,0,0|1,0,0]=3 725 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [1,1,0,0,0,0|1,0,0]=3 726 B9R1.1 COc1ccc(nn1)O 271570a_203496583355_100009819040 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.1 COc1cnc(cn1)Br 34a_100011934580_200000210301 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.1 COc1cnc(cn1)Cl 34a_100015839800_200000210301 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.1 COc1cnc(cn1)O 271570a_203496583355_100011998698 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.1 COc1ncc(cn1)F 34a_100011934040_200000210301 [1,1,0,0,0,0|2,0,0]=4 731 B9R1.1 COc1ncc(cn1)O 271570a_203496583355_100000686852 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.1 CSc1ccc(=O)[nH]n1 62a_100009820020_200000210301 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.1 CSc1ccc(=O)[nH]n1 62a_200000210301_100009820020 [1,1,0,0,0,0|2,0,0]=4 734 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [1,1,0,0,0,0|2,0,0]=4 739 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [1,1,0,0,0,0|2,0,0]=4 740 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.1 CSc1ccc(cn1)Br 62a_100000686858_200000210301 [1,1,0,0,0,0|1,0,0]=3 747 B9R1.1 CSc1ccc(cn1)Br 62a_200000210301_100000686858 [1,1,0,0,0,0|1,0,0]=3 748 B9R1.1 CSc1ccc(cn1)C 62a_100011192072_200000210301 [1,1,0,0,0,0|1,0,0]=3 749 B9R1.1 CSc1ccc(cn1)C 62a_200000210301_100000754016 [1,1,0,0,0,0|1,0,0]=3 750 B9R1.1 CSc1ccc(cn1)Cl 62a_100011356976_200000210301 [1,1,0,0,0,0|1,0,0]=3 751 B9R1.1 CSc1ccc(cn1)Cl 62a_200000210301_100011356976 [1,1,0,0,0,0|1,0,0]=3 752 B9R1.1 CSc1ccc(cn1)F 62a_100000744514_200000210301 [1,1,0,0,0,0|1,0,0]=3 753 B9R1.1 CSc1ccc(cn1)F 62a_200000210301_100000744514 [1,1,0,0,0,0|1,0,0]=3 754 B9R1.1 CSc1ccc(cn1)N 62a_100000737798_200000210301 [1,1,0,0,0,0|1,0,0]=3 755 B9R1.1 CSc1ccc(cn1)N 62a_200000210301_100000737798 [1,1,0,0,0,0|1,0,0]=3 756 B9R1.1 CSc1ccc(cn1)O 271570a_203496583355_100011408404 [1,1,0,0,0,0|1,0,0]=3 757 B9R1.1 CSc1ccc(cn1)O 62a_100000685995_200000210301 [1,1,0,0,0,0|1,0,0]=3 758 B9R1.1 CSc1ccc(cn1)O 62a_200000210301_100000744096 [1,1,0,0,0,0|1,0,0]=3 759 B9R1.1 CSc1ccc(nn1)C 62a_100000744512_200000210301 [1,1,0,0,0,0|2,0,0]=4 760 B9R1.1 CSc1ccc(nn1)C 62a_200000210301_100000744512 [1,1,0,0,0,0|2,0,0]=4 761 B9R1.1 CSc1ccc(nn1)Cl 62a_100000068654_200000210301 [1,1,0,0,0,0|2,0,0]=4 762 B9R1.1 CSc1ccc(nn1)Cl 62a_200000210301_100000068654 [1,1,0,0,0,0|2,0,0]=4 763 B9R1.1 CSc1ccc(nn1)N 62a_100010219413_200000210301 [1,1,0,0,0,0|2,0,0]=4 764 B9R1.1 CSc1ccc(nn1)N 62a_200000210301_100010219413 [1,1,0,0,0,0|2,0,0]=4 765 B9R1.1 CSc1cnc(cn1)Br 62a_100010187541_200000210301 [1,1,0,0,0,0|2,0,0]=4 766 B9R1.1 CSc1cnc(cn1)Br 62a_200000210301_100010187541 [1,1,0,0,0,0|2,0,0]=4 767 B9R1.1 CSc1cnc(cn1)C 62a_100011999403_200000210301 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.1 CSc1cnc(cn1)C 62a_200000210301_100011999403 [1,1,0,0,0,0|2,0,0]=4 769 B9R1.1 CSc1cnc(cn1)Cl 62a_100010214907_200000210301 [1,1,0,0,0,0|2,0,0]=4 770 B9R1.1 CSc1cnc(cn1)Cl 62a_200000210301_100010214907 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.1 CSc1cnc(cn1)F 62a_100009856528_200000210301 [1,1,0,0,0,0|2,0,0]=4 772 B9R1.1 CSc1cnc(cn1)F 62a_200000210301_100009856528 [1,1,0,0,0,0|2,0,0]=4 773 B9R1.1 CSc1cnc(cn1)N 62a_100000744751_200000210301 [1,1,0,0,0,0|2,0,0]=4 774 B9R1.1 CSc1cnc(cn1)N 62a_200000210301_100000744751 [1,1,0,0,0,0|2,0,0]=4 775 B9R1.1 CSc1cnc(cn1)O 271570a_203496583355_200012356277 [1,1,0,0,0,0|2,0,0]=4 776 B9R1.1 CSc1cnc(cn1)O 62a_100011934580_200000210301 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.1 CSc1cnc(cn1)O 62a_200000210301_100015839800 [1,1,0,0,0,0|2,0,0]=4 778 B9R1.1 CSc1ncc(cn1)Br 62a_100000690281_200000210301 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.1 CSc1ncc(cn1)Br 62a_200000210301_100000690281 [1,1,0,0,0,0|2,0,0]=4 780 B9R1.1 CSc1ncc(cn1)C 62a_100000061069_200000210301 [1,1,0,0,0,0|2,0,0]=4 781 B9R1.1 CSc1ncc(cn1)C 62a_200000210301_100000061069 [1,1,0,0,0,0|2,0,0]=4 782 B9R1.1 CSc1ncc(cn1)Cl 62a_100011356929_200000210301 [1,1,0,0,0,0|2,0,0]=4 783 B9R1.1 CSc1ncc(cn1)Cl 62a_200000210301_100011356929 [1,1,0,0,0,0|2,0,0]=4 784 B9R1.1 CSc1ncc(cn1)F 62a_100000685220_200000210301 [1,1,0,0,0,0|2,0,0]=4 785 B9R1.1 CSc1ncc(cn1)F 62a_200000210301_100000685220 [1,1,0,0,0,0|2,0,0]=4 786 B9R1.1 CSc1ncc(cn1)N 62a_100000068403_200000210301 [1,1,0,0,0,0|2,0,0]=4 787 B9R1.1 CSc1ncc(cn1)N 62a_200000210301_100000068403 [1,1,0,0,0,0|2,0,0]=4 788 B9R1.1 CSc1ncc(cn1)O 271570a_203496583355_100000722549 [1,1,0,0,0,0|2,0,0]=4 789 B9R1.1 CSc1ncc(cn1)O 62a_100000730009_200000210301 [1,1,0,0,0,0|2,0,0]=4 790 B9R1.1 CSc1ncc(cn1)O 62a_200000210301_100000092845 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [1,1,0,0,0,0|2,0,0]=4 794 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [1,1,0,0,0,0|2,0,0]=4 795 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [1,1,0,0,0,0|2,0,0]=4 796 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [1,1,0,0,0,0|1,0,0]=3 797 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_100011192072_200025704644 [1,1,0,0,0,0|1,0,0]=3 798 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000754016 [1,1,0,0,0,0|1,0,0]=3 799 B9R1.1 Cc1ccc(nn1)S[13CH3] 62a_100000744512_200025704644 [1,1,0,0,0,0|2,0,0]=4 800 B9R1.1 Cc1ccc(nn1)S[13CH3] 62a_200025704644_100000744512 [1,1,0,0,0,0|2,0,0]=4 801 B9R1.1 Cc1cnc(cn1)S[13CH3] 62a_100011999403_200025704644 [1,1,0,0,0,0|2,0,0]=4 802 B9R1.1 Cc1cnc(cn1)S[13CH3] 62a_200025704644_100011999403 [1,1,0,0,0,0|2,0,0]=4 803 B9R1.1 Cc1cnc(nc1)S[13CH3] 62a_100000061069_200025704644 [1,1,0,0,0,0|2,0,0]=4 804 B9R1.1 Cc1cnc(nc1)S[13CH3] 62a_200025704644_100000061069 [1,1,0,0,0,0|2,0,0]=4 805 B9R1.1 N#Cc1ccc(cn1)O 271570a_203496583355_100000760455 [1,1,0,0,0,0|1,0,1]=4 806 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [1,1,0,0,0,0|1,0,1]=4 807 B9R1.1 NNc1ccc(cn1)O 271570a_203496583355_100000750576 [1,1,0,0,0,0|2,0,0]=4 808 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [1,1,0,0,0,0|1,0,0]=3 809 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [1,1,0,0,0,0|0,0,0]=2 810 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [1,1,0,0,0,0|2,0,0]=4 811 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [1,1,0,0,0,0|1,0,0]=3 812 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [1,1,0,0,0,0|1,0,0]=3 813 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [1,1,0,0,0,0|0,0,2]=4 814 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [1,1,0,0,0,0|2,0,0]=4 815 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [1,1,0,0,0,0|2,0,0]=4 816 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [1,1,0,0,0,0|2,0,0]=4 818 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [1,1,0,0,0,0|2,0,0]=4 819 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [1,1,0,0,0,0|2,0,0]=4 820 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [1,1,0,0,0,0|2,0,0]=4 821 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [1,1,0,0,0,0|2,0,0]=4 822 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [1,1,0,0,0,0|2,0,0]=4 823 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [1,1,0,0,0,0|2,0,0]=4 824 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [1,1,0,0,0,0|2,0,0]=4 825 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [1,1,0,0,0,0|2,0,0]=4 826 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [1,1,0,0,0,0|2,0,0]=4 827 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [1,1,0,0,0,0|2,0,0]=4 828 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [1,1,0,0,0,0|2,0,0]=4 829 B9R1.1 [13CH3]Oc1ccc(cn1)Cl 34a_100011215309_200025704644 [1,1,0,0,0,0|1,0,0]=3 830 B9R1.1 [13CH3]Oc1ccc(cn1)F 34a_100000742473_200025704644 [1,1,0,0,0,0|1,0,0]=3 831 B9R1.1 [13CH3]Oc1ccc(cn1)N 34a_100000729260_200025704644 [1,1,0,0,0,0|1,0,0]=3 832 B9R1.1 [13CH3]Oc1cnc(cn1)Br 34a_100011934580_200025704644 [1,1,0,0,0,0|2,0,0]=4 833 B9R1.1 [13CH3]Oc1cnc(cn1)Cl 34a_100015839800_200025704644 [1,1,0,0,0,0|2,0,0]=4 834 B9R1.1 [13CH3]Oc1ncc(cn1)F 34a_100011934040_200025704644 [1,1,0,0,0,0|2,0,0]=4 835 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_100009820020_200025704644 [1,1,0,0,0,0|2,0,0]=4 836 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_200025704644_100009820020 [1,1,0,0,0,0|2,0,0]=4 837 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [1,1,0,0,0,0|2,0,0]=4 838 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [1,1,0,0,0,0|2,0,0]=4 839 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [1,1,0,0,0,0|2,0,0]=4 840 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [1,1,0,0,0,0|2,0,0]=4 841 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [1,1,0,0,0,0|2,0,0]=4 842 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [1,1,0,0,0,0|2,0,0]=4 843 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [1,1,0,0,0,0|2,0,0]=4 844 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [1,1,0,0,0,0|2,0,0]=4 845 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [1,1,0,0,0,0|2,0,0]=4 846 B9R1.1 [13CH3]Sc1ccc(cn1)Br 62a_100000686858_200025704644 [1,1,0,0,0,0|1,0,0]=3 847 B9R1.1 [13CH3]Sc1ccc(cn1)Br 62a_200025704644_100000686858 [1,1,0,0,0,0|1,0,0]=3 848 B9R1.1 [13CH3]Sc1ccc(cn1)Cl 62a_100011356976_200025704644 [1,1,0,0,0,0|1,0,0]=3 849 B9R1.1 [13CH3]Sc1ccc(cn1)Cl 62a_200025704644_100011356976 [1,1,0,0,0,0|1,0,0]=3 850 B9R1.1 [13CH3]Sc1ccc(cn1)F 62a_100000744514_200025704644 [1,1,0,0,0,0|1,0,0]=3 851 B9R1.1 [13CH3]Sc1ccc(cn1)F 62a_200025704644_100000744514 [1,1,0,0,0,0|1,0,0]=3 852 B9R1.1 [13CH3]Sc1ccc(cn1)N 62a_100000737798_200025704644 [1,1,0,0,0,0|1,0,0]=3 853 B9R1.1 [13CH3]Sc1ccc(cn1)N 62a_200025704644_100000737798 [1,1,0,0,0,0|1,0,0]=3 854 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_100000685995_200025704644 [1,1,0,0,0,0|1,0,0]=3 855 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_200025704644_100000744096 [1,1,0,0,0,0|1,0,0]=3 856 B9R1.1 [13CH3]Sc1ccc(nn1)Cl 62a_100000068654_200025704644 [1,1,0,0,0,0|2,0,0]=4 857 B9R1.1 [13CH3]Sc1ccc(nn1)Cl 62a_200025704644_100000068654 [1,1,0,0,0,0|2,0,0]=4 858 B9R1.1 [13CH3]Sc1ccc(nn1)N 62a_100010219413_200025704644 [1,1,0,0,0,0|2,0,0]=4 859 B9R1.1 [13CH3]Sc1ccc(nn1)N 62a_200025704644_100010219413 [1,1,0,0,0,0|2,0,0]=4 860 B9R1.1 [13CH3]Sc1cnc(cn1)Br 62a_100010187541_200025704644 [1,1,0,0,0,0|2,0,0]=4 861 B9R1.1 [13CH3]Sc1cnc(cn1)Br 62a_200025704644_100010187541 [1,1,0,0,0,0|2,0,0]=4 862 B9R1.1 [13CH3]Sc1cnc(cn1)Cl 62a_100010214907_200025704644 [1,1,0,0,0,0|2,0,0]=4 863 B9R1.1 [13CH3]Sc1cnc(cn1)Cl 62a_200025704644_100010214907 [1,1,0,0,0,0|2,0,0]=4 864 B9R1.1 [13CH3]Sc1cnc(cn1)F 62a_100009856528_200025704644 [1,1,0,0,0,0|2,0,0]=4 865 B9R1.1 [13CH3]Sc1cnc(cn1)F 62a_200025704644_100009856528 [1,1,0,0,0,0|2,0,0]=4 866 B9R1.1 [13CH3]Sc1cnc(cn1)N 62a_100000744751_200025704644 [1,1,0,0,0,0|2,0,0]=4 867 B9R1.1 [13CH3]Sc1cnc(cn1)N 62a_200025704644_100000744751 [1,1,0,0,0,0|2,0,0]=4 868 B9R1.1 [13CH3]Sc1cnc(cn1)O 62a_100011934580_200025704644 [1,1,0,0,0,0|2,0,0]=4 869 B9R1.1 [13CH3]Sc1cnc(cn1)O 62a_200025704644_100015839800 [1,1,0,0,0,0|2,0,0]=4 870 B9R1.1 [13CH3]Sc1ncc(cn1)Br 62a_100000690281_200025704644 [1,1,0,0,0,0|2,0,0]=4 871 B9R1.1 [13CH3]Sc1ncc(cn1)Br 62a_200025704644_100000690281 [1,1,0,0,0,0|2,0,0]=4 872 B9R1.1 [13CH3]Sc1ncc(cn1)Cl 62a_100011356929_200025704644 [1,1,0,0,0,0|2,0,0]=4 873 B9R1.1 [13CH3]Sc1ncc(cn1)Cl 62a_200025704644_100011356929 [1,1,0,0,0,0|2,0,0]=4 874 B9R1.1 [13CH3]Sc1ncc(cn1)F 62a_100000685220_200025704644 [1,1,0,0,0,0|2,0,0]=4 875 B9R1.1 [13CH3]Sc1ncc(cn1)F 62a_200025704644_100000685220 [1,1,0,0,0,0|2,0,0]=4 876 B9R1.1 [13CH3]Sc1ncc(cn1)N 62a_100000068403_200025704644 [1,1,0,0,0,0|2,0,0]=4 877 B9R1.1 [13CH3]Sc1ncc(cn1)N 62a_200025704644_100000068403 [1,1,0,0,0,0|2,0,0]=4 878 B9R1.1 [13CH3]Sc1ncc(cn1)O 62a_100000730009_200025704644 [1,1,0,0,0,0|2,0,0]=4 879 B9R1.1 [13CH3]Sc1ncc(cn1)O 62a_200025704644_100000092845 [1,1,0,0,0,0|2,0,0]=4 880 B9R1.2 C=Cc1c[n+](ccn1)[O-] 271570a_100011290941_100009880115 [1,1,0,0,0,0|1,0,1]=4 881 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [1,1,0,0,0,0|0,0,1]=3 882 B9R1.2 C=Cc1cc(ccn1)Cl 271570a_100011290941_100010167805 [1,1,0,0,0,0|0,0,1]=3 883 B9R1.2 C=Cc1cc(ccn1)F 271570a_100011290941_100009817058 [1,1,0,0,0,0|0,0,1]=3 884 B9R1.2 C=Cc1cc(ccn1)N 271570a_100011290941_100009814236 [1,1,0,0,0,0|0,0,1]=3 885 B9R1.2 C=Cc1cc(ccn1)O 271570a_100011290941_100000762945 [1,1,0,0,0,0|0,0,1]=3 886 B9R1.2 C=Cc1cc(cnn1)C 271570a_100011290941_100000070100 [1,1,0,0,0,0|1,0,1]=4 887 B9R1.2 C=Cc1cc(cnn1)O 271570a_100011290941_200010734679 [1,1,0,0,0,0|1,0,1]=4 888 B9R1.2 C=Cc1cc(ncn1)C 271570a_100011290941_100000744208 [1,1,0,0,0,0|1,0,1]=4 889 B9R1.2 C=Cc1cc(ncn1)F 271570a_100011290941_200009880791 [1,1,0,0,0,0|1,0,1]=4 890 B9R1.2 C=Cc1cc(ncn1)N 271570a_100011290941_100000701291 [1,1,0,0,0,0|1,0,1]=4 891 B9R1.2 C=Cc1cc(ncn1)O 271570a_100011290941_100000765262 [1,1,0,0,0,0|1,0,1]=4 892 B9R1.2 C=Cc1cc[nH]c(=O)n1 271570a_100011290941_200000134032 [1,1,0,0,0,0|1,0,1]=4 893 B9R1.2 C=Cc1cccc(=O)[nH]1 271570a_100011290941_100000761760 [1,1,0,0,0,0|0,0,2]=4 894 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [1,1,0,0,0,0|1,0,1]=4 895 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [1,1,0,0,0,0|1,0,1]=4 896 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [1,1,0,0,0,0|1,0,1]=4 897 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [1,1,0,0,0,0|1,0,1]=4 898 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [1,1,0,0,0,0|1,0,1]=4 899 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [1,1,0,0,0,0|1,0,1]=4 900 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [1,1,0,0,0,0|1,0,1]=4 901 B9R1.2 C=Cc1cccc(n1)Br 271570a_100011290941_100000684672 [1,1,0,0,0,0|0,0,1]=3 902 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [1,1,0,0,0,0|0,0,1]=3 903 B9R1.2 C=Cc1cccc(n1)F 271570a_100011290941_100009815982 [1,1,0,0,0,0|0,0,1]=3 904 B9R1.2 C=Cc1cccc(n1)N 271570a_100011290941_100000740741 [1,1,0,0,0,0|0,0,1]=3 905 B9R1.2 C=Cc1ccnc(n1)C 271570a_100011290941_100000749937 [1,1,0,0,0,0|1,0,1]=4 906 B9R1.2 C=Cc1ccnc(n1)N 271570a_100011290941_100009820717 [1,1,0,0,0,0|1,0,1]=4 907 B9R1.2 C=Cc1cncc(n1)C 271570a_100011290941_100009842155 [1,1,0,0,0,0|1,0,1]=4 908 B9R1.2 C=Cc1cncc(n1)F 271570a_100011290941_200009863489 [1,1,0,0,0,0|1,0,1]=4 909 B9R1.2 C=Cc1cncc(n1)N 271570a_100011290941_100009819714 [1,1,0,0,0,0|1,0,1]=4 910 B9R1.2 C=Cc1cncc(n1)O 271570a_100011290941_100011269956 [1,1,0,0,0,0|1,0,1]=4 911 B9R1.2 C=Cc1nccc(n1)C 271570a_100011290941_100011243806 [1,1,0,0,0,0|1,0,1]=4 912 B9R1.2 C=Cc1nccc(n1)N 271570a_100011290941_100000757536 [1,1,0,0,0,0|1,0,1]=4 913 B9R1.2 C=Cc1nccc(n1)O 271570a_100011290941_100011649813 [1,1,0,0,0,0|1,0,1]=4 914 B9R1.2 CCc1cc(ccn1)O 271570a_203496583355_100009820011 [1,1,0,0,0,0|0,0,1]=3 915 B9R1.2 CCc1cc(ncn1)O 271570a_203496583355_100000744278 [1,1,0,0,0,0|1,0,1]=4 916 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [1,1,0,0,0,0|1,0,1]=4 917 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [1,1,0,0,0,0|0,0,1]=3 918 B9R1.2 CCc1ccnc(n1)O 271570a_203496583355_100000100215 [1,1,0,0,0,0|1,0,1]=4 919 B9R1.2 CNc1c[n+](ccn1)[O-] 27a_100102657272_100009880115 [1,1,0,0,0,0|2,0,0]=4 920 B9R1.2 CNc1cc(ccn1)F 27a_100102657272_100000764206 [1,1,0,0,0,0|1,0,0]=3 921 B9R1.2 CNc1cc(ccn1)O 271570a_203496583355_100009819592 [1,1,0,0,0,0|1,0,0]=3 922 B9R1.2 CNc1cc(cnn1)C 27a_100102657272_100000070100 [1,1,0,0,0,0|2,0,0]=4 923 B9R1.2 CNc1cc(ncn1)C 27a_100102657272_100000744208 [1,1,0,0,0,0|2,0,0]=4 924 B9R1.2 CNc1cc(ncn1)F 27a_100102657272_200009880791 [1,1,0,0,0,0|2,0,0]=4 925 B9R1.2 CNc1cc(ncn1)N 27a_100102657272_100000701291 [1,1,0,0,0,0|2,0,0]=4 926 B9R1.2 CNc1cc(ncn1)O 271570a_203496583355_100000756605 [1,1,0,0,0,0|2,0,0]=4 927 B9R1.2 CNc1cc(ncn1)O 27a_100102657272_100000765262 [1,1,0,0,0,0|2,0,0]=4 928 B9R1.2 CNc1cc[nH]c(=O)n1 27a_100102657272_200000134032 [1,1,0,0,0,0|2,0,0]=4 929 B9R1.2 CNc1cccc(c1)Br 34a_100000210019_200000210301 [1,1,0,0,0,0|2,0,0]=4 930 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [1,1,0,0,0,0|2,0,0]=4 931 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [1,1,0,0,0,0|2,0,0]=4 932 B9R1.2 CNc1cccc(c1)Cl 34a_100000185859_200000210301 [1,1,0,0,0,0|2,0,0]=4 933 B9R1.2 CNc1cccc(c1)F 34a_100000210047_200000210301 [1,1,0,0,0,0|2,0,0]=4 934 B9R1.2 CNc1cccc(c1)I 34a_100000211102_200000210301 [1,1,0,0,0,0|2,0,0]=4 935 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [1,1,0,0,0,0|2,0,0]=4 936 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [1,1,0,0,0,0|2,0,0]=4 937 B9R1.2 CNc1cccc(n1)F 27a_100102657272_100009815982 [1,1,0,0,0,0|1,0,0]=3 938 B9R1.2 CNc1cccc(n1)O 271570a_203496583355_100000703281 [1,1,0,0,0,0|1,0,0]=3 939 B9R1.2 CNc1ccnc(n1)C 27a_100102657272_100000749937 [1,1,0,0,0,0|2,0,0]=4 940 B9R1.2 CNc1ccnc(n1)N 27a_100102657272_100000055538 [1,1,0,0,0,0|2,0,0]=4 941 B9R1.2 CNc1ccnc(n1)O 271570a_203496583355_100011649947 [1,1,0,0,0,0|2,0,0]=4 942 B9R1.2 CNc1cncc(n1)C 27a_100102657272_100000754123 [1,1,0,0,0,0|2,0,0]=4 943 B9R1.2 CNc1cncc(n1)Cl 27a_100102657272_100010892449 [1,1,0,0,0,0|2,0,0]=4 944 B9R1.2 CNc1cncc(n1)F 27a_100102657272_200009863489 [1,1,0,0,0,0|2,0,0]=4 945 B9R1.2 CNc1cncc(n1)O 271570a_203496583355_100011529438 [1,1,0,0,0,0|2,0,0]=4 946 B9R1.2 CNc1nccc(n1)C 27a_100102657272_100000750684 [1,1,0,0,0,0|2,0,0]=4 947 B9R1.2 CNc1nccc(n1)N 27a_100102657272_100000757536 [1,1,0,0,0,0|2,0,0]=4 948 B9R1.2 CNc1nccc(n1)O 271570a_203496583355_100012000420 [1,1,0,0,0,0|2,0,0]=4 949 B9R1.2 CNc1nccc(n1)O 27a_100102657272_100011649813 [1,1,0,0,0,0|2,0,0]=4 950 B9R1.2 COc1cc(ccn1)O 271570a_203496583355_100000117307 [1,1,0,0,0,0|1,0,0]=3 951 B9R1.2 COc1cc(cnn1)C 34a_100000766097_200000210301 [1,1,0,0,0,0|2,0,0]=4 952 B9R1.2 COc1cc(ncn1)O 271570a_203496583355_100012187182 [1,1,0,0,0,0|2,0,0]=4 953 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [1,1,0,0,0,0|1,0,1]=4 954 B9R1.2 COc1cccc(c1)Br 34a_100000210342_200000210301 [1,1,0,0,0,0|2,0,0]=4 955 B9R1.2 COc1cccc(c1)Br 7a_100000210342_200000210301 [1,1,0,0,0,0|2,0,0]=4 956 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [1,1,0,0,0,0|2,0,0]=4 957 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [1,1,0,0,0,0|2,0,0]=4 958 B9R1.2 COc1cccc(c1)Cl 34a_100000210295_200000210301 [1,1,0,0,0,0|2,0,0]=4 959 B9R1.2 COc1cccc(c1)Cl 7a_100000210295_200000210301 [1,1,0,0,0,0|2,0,0]=4 960 B9R1.2 COc1cccc(c1)F 34a_100000210426_200000210301 [1,1,0,0,0,0|2,0,0]=4 961 B9R1.2 COc1cccc(c1)F 7a_100000210426_200000210301 [1,1,0,0,0,0|2,0,0]=4 962 B9R1.2 COc1cccc(c1)I 34a_100000211634_200000210301 [1,1,0,0,0,0|2,0,0]=4 963 B9R1.2 COc1cccc(c1)I 7a_100000211634_200000210301 [1,1,0,0,0,0|2,0,0]=4 964 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [1,1,0,0,0,0|2,0,0]=4 965 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [1,1,0,0,0,0|2,0,0]=4 966 B9R1.2 COc1cccc(n1)F 34a_100011432558_200000210301 [1,1,0,0,0,0|1,0,0]=3 967 B9R1.2 COc1cccc(n1)O 271570a_203496583355_100000760917 [1,1,0,0,0,0|1,0,0]=3 968 B9R1.2 COc1ccnc(n1)O 271570a_203496583355_100000182009 [1,1,0,0,0,0|2,0,0]=4 969 B9R1.2 COc1cncc(n1)O 271570a_203496583355_100000756030 [1,1,0,0,0,0|2,0,0]=4 970 B9R1.2 COc1nccc(n1)O 271570a_203496583355_100000069072 [1,1,0,0,0,0|2,0,0]=4 971 B9R1.2 CSc1c[n+](ccn1)[O-] 62a_200000210301_100009880115 [1,1,0,0,0,0|2,0,0]=4 972 B9R1.2 CSc1cc(=O)[nH]cn1 62a_100012002517_200000210301 [1,1,0,0,0,0|2,0,0]=4 973 B9R1.2 CSc1cc(=O)cc[nH]1 62a_100009817434_200000210301 [1,1,0,0,0,0|1,0,1]=4 974 B9R1.2 CSc1cc(ccn1)C 62a_100000750283_200000210301 [1,1,0,0,0,0|1,0,0]=3 975 B9R1.2 CSc1cc(ccn1)C 62a_200000210301_100000750283 [1,1,0,0,0,0|1,0,0]=3 976 B9R1.2 CSc1cc(ccn1)Cl 62a_100010167805_200000210301 [1,1,0,0,0,0|1,0,0]=3 977 B9R1.2 CSc1cc(ccn1)Cl 62a_200000210301_100010167805 [1,1,0,0,0,0|1,0,0]=3 978 B9R1.2 CSc1cc(ccn1)F 62a_100000764206_200000210301 [1,1,0,0,0,0|1,0,0]=3 979 B9R1.2 CSc1cc(ccn1)F 62a_200000210301_100000764206 [1,1,0,0,0,0|1,0,0]=3 980 B9R1.2 CSc1cc(ccn1)N 62a_100009814236_200000210301 [1,1,0,0,0,0|1,0,0]=3 981 B9R1.2 CSc1cc(ccn1)N 62a_200000210301_100009814236 [1,1,0,0,0,0|1,0,0]=3 982 B9R1.2 CSc1cc(ccn1)O 62a_200000210301_100000762945 [1,1,0,0,0,0|1,0,0]=3 983 B9R1.2 CSc1cc(cnn1)C 62a_100000070100_200000210301 [1,1,0,0,0,0|2,0,0]=4 984 B9R1.2 CSc1cc(cnn1)C 62a_200000210301_100000070100 [1,1,0,0,0,0|2,0,0]=4 985 B9R1.2 CSc1cc(cnn1)N 62a_100011996757_200000210301 [1,1,0,0,0,0|2,0,0]=4 986 B9R1.2 CSc1cc(cnn1)N 62a_200000210301_100011996757 [1,1,0,0,0,0|2,0,0]=4 987 B9R1.2 CSc1cc(cnn1)O 62a_200000210301_200010734679 [1,1,0,0,0,0|2,0,0]=4 988 B9R1.2 CSc1cc(ncn1)C 62a_100000744208_200000210301 [1,1,0,0,0,0|2,0,0]=4 989 B9R1.2 CSc1cc(ncn1)C 62a_200000210301_100000744208 [1,1,0,0,0,0|2,0,0]=4 990 B9R1.2 CSc1cc(ncn1)Cl 62a_100010161198_200000210301 [1,1,0,0,0,0|2,0,0]=4 991 B9R1.2 CSc1cc(ncn1)Cl 62a_200000210301_100010161198 [1,1,0,0,0,0|2,0,0]=4 992 B9R1.2 CSc1cc(ncn1)F 62a_200000210301_200009880791 [1,1,0,0,0,0|2,0,0]=4 993 B9R1.2 CSc1cc(ncn1)F 62a_200009880791_200000210301 [1,1,0,0,0,0|2,0,0]=4 994 B9R1.2 CSc1cc(ncn1)N 62a_100000701291_200000210301 [1,1,0,0,0,0|2,0,0]=4 995 B9R1.2 CSc1cc(ncn1)N 62a_200000210301_100000701291 [1,1,0,0,0,0|2,0,0]=4 996 B9R1.2 CSc1cc(ncn1)O 271570a_203496583355_100011443430 [1,1,0,0,0,0|2,0,0]=4 997 B9R1.2 CSc1cc(ncn1)O 62a_200000210301_100000765262 [1,1,0,0,0,0|2,0,0]=4 998 B9R1.2 CSc1cc[nH]c(=O)n1 62a_200000210301_200000134032 [1,1,0,0,0,0|2,0,0]=4 999 B9R1.2 CSc1cccc(=O)[nH]1 62a_200000210301_100000752884 [1,1,0,0,0,0|1,0,1]=4 1000 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [1,1,0,0,0,0|2,0,0]=4 1001 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [1,1,0,0,0,0|2,0,0]=4 1002 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [1,1,0,0,0,0|2,0,0]=4 1003 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [1,1,0,0,0,0|2,0,0]=4 1004 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [1,1,0,0,0,0|2,0,0]=4 1005 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [1,1,0,0,0,0|2,0,0]=4 1006 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [1,1,0,0,0,0|2,0,0]=4 1007 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [1,1,0,0,0,0|2,0,0]=4 1008 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [1,1,0,0,0,0|2,0,0]=4 1009 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [1,1,0,0,0,0|2,0,0]=4 1010 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [1,1,0,0,0,0|2,0,0]=4 1011 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [1,1,0,0,0,0|2,0,0]=4 1012 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [1,1,0,0,0,0|2,0,0]=4 1013 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [1,1,0,0,0,0|2,0,0]=4 1014 B9R1.2 CSc1cccc(n1)Br 62a_100000684672_200000210301 [1,1,0,0,0,0|1,0,0]=3 1015 B9R1.2 CSc1cccc(n1)Br 62a_200000210301_100000684672 [1,1,0,0,0,0|1,0,0]=3 1016 B9R1.2 CSc1cccc(n1)C 62a_100000742759_200000210301 [1,1,0,0,0,0|1,0,0]=3 1017 B9R1.2 CSc1cccc(n1)C 62a_200000210301_100000742759 [1,1,0,0,0,0|1,0,0]=3 1018 B9R1.2 CSc1cccc(n1)Cl 62a_100000051397_200000210301 [1,1,0,0,0,0|1,0,0]=3 1019 B9R1.2 CSc1cccc(n1)Cl 62a_200000210301_100000051397 [1,1,0,0,0,0|1,0,0]=3 1020 B9R1.2 CSc1cccc(n1)F 62a_100009815982_200000210301 [1,1,0,0,0,0|1,0,0]=3 1021 B9R1.2 CSc1cccc(n1)F 62a_200000210301_100009815982 [1,1,0,0,0,0|1,0,0]=3 1022 B9R1.2 CSc1cccc(n1)N 62a_100000740741_200000210301 [1,1,0,0,0,0|1,0,0]=3 1023 B9R1.2 CSc1cccc(n1)N 62a_200000210301_100000740741 [1,1,0,0,0,0|1,0,0]=3 1024 B9R1.2 CSc1cccc(n1)O 271570a_203496583355_100011960944 [1,1,0,0,0,0|1,0,0]=3 1025 B9R1.2 CSc1ccnc(n1)C 62a_100000749937_200000210301 [1,1,0,0,0,0|2,0,0]=4 1026 B9R1.2 CSc1ccnc(n1)C 62a_200000210301_100000749937 [1,1,0,0,0,0|2,0,0]=4 1027 B9R1.2 CSc1ccnc(n1)Cl 62a_100010154678_200000210301 [1,1,0,0,0,0|2,0,0]=4 1028 B9R1.2 CSc1ccnc(n1)Cl 62a_200000210301_100010154678 [1,1,0,0,0,0|2,0,0]=4 1029 B9R1.2 CSc1ccnc(n1)N 62a_100000055538_200000210301 [1,1,0,0,0,0|2,0,0]=4 1030 B9R1.2 CSc1ccnc(n1)N 62a_200000210301_100000055538 [1,1,0,0,0,0|2,0,0]=4 1031 B9R1.2 CSc1ccnc(n1)O 271570a_203496583355_100011650323 [1,1,0,0,0,0|2,0,0]=4 1032 B9R1.2 CSc1cncc(n1)C 62a_100000754123_200000210301 [1,1,0,0,0,0|2,0,0]=4 1033 B9R1.2 CSc1cncc(n1)C 62a_200000210301_100000754123 [1,1,0,0,0,0|2,0,0]=4 1034 B9R1.2 CSc1cncc(n1)Cl 62a_100010892449_200000210301 [1,1,0,0,0,0|2,0,0]=4 1035 B9R1.2 CSc1cncc(n1)Cl 62a_200000210301_100010892449 [1,1,0,0,0,0|2,0,0]=4 1036 B9R1.2 CSc1cncc(n1)F 62a_200000210301_200009863489 [1,1,0,0,0,0|2,0,0]=4 1037 B9R1.2 CSc1cncc(n1)F 62a_200009863489_200000210301 [1,1,0,0,0,0|2,0,0]=4 1038 B9R1.2 CSc1cncc(n1)N 62a_100000747728_200000210301 [1,1,0,0,0,0|2,0,0]=4 1039 B9R1.2 CSc1cncc(n1)N 62a_200000210301_100000747728 [1,1,0,0,0,0|2,0,0]=4 1040 B9R1.2 CSc1cncc(n1)O 62a_200000210301_100011269956 [1,1,0,0,0,0|2,0,0]=4 1041 B9R1.2 CSc1nccc(n1)C 62a_100011243806_200000210301 [1,1,0,0,0,0|2,0,0]=4 1042 B9R1.2 CSc1nccc(n1)C 62a_200000210301_100011243806 [1,1,0,0,0,0|2,0,0]=4 1043 B9R1.2 CSc1nccc(n1)N 62a_100000757536_200000210301 [1,1,0,0,0,0|2,0,0]=4 1044 B9R1.2 CSc1nccc(n1)N 62a_200000210301_100000757536 [1,1,0,0,0,0|2,0,0]=4 1045 B9R1.2 CSc1nccc(n1)O 271570a_203496583355_100000032126 [1,1,0,0,0,0|2,0,0]=4 1046 B9R1.2 CSc1nccc(n1)O 62a_200000210301_100011649813 [1,1,0,0,0,0|2,0,0]=4 1047 B9R1.2 Cc1cc(ncn1)S[13CH3] 62a_100000744208_200025704644 [1,1,0,0,0,0|2,0,0]=4 1048 B9R1.2 Cc1cc(ncn1)S[13CH3] 62a_200025704644_100000744208 [1,1,0,0,0,0|2,0,0]=4 1049 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [1,1,0,0,0,0|2,0,0]=4 1050 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [1,1,0,0,0,0|2,0,0]=4 1051 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [1,1,0,0,0,0|2,0,0]=4 1052 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [1,1,0,0,0,0|2,0,0]=4 1053 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [1,1,0,0,0,0|2,0,0]=4 1054 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [1,1,0,0,0,0|2,0,0]=4 1055 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_100000742759_200025704644 [1,1,0,0,0,0|1,0,0]=3 1056 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_200025704644_100000742759 [1,1,0,0,0,0|1,0,0]=3 1057 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_100000750283_200025704644 [1,1,0,0,0,0|1,0,0]=3 1058 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_200025704644_100000750283 [1,1,0,0,0,0|1,0,0]=3 1059 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_100011243806_200025704644 [1,1,0,0,0,0|2,0,0]=4 1060 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_200025704644_100011243806 [1,1,0,0,0,0|2,0,0]=4 1061 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_100000754123_200025704644 [1,1,0,0,0,0|2,0,0]=4 1062 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_200025704644_100000754123 [1,1,0,0,0,0|2,0,0]=4 1063 B9R1.2 Cc1cnnc(c1)O[13CH3] 34a_100000766097_200025704644 [1,1,0,0,0,0|2,0,0]=4 1064 B9R1.2 Cc1cnnc(c1)S[13CH3] 62a_100000070100_200025704644 [1,1,0,0,0,0|2,0,0]=4 1065 B9R1.2 Cc1cnnc(c1)S[13CH3] 62a_200025704644_100000070100 [1,1,0,0,0,0|2,0,0]=4 1066 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_100000749937_200025704644 [1,1,0,0,0,0|2,0,0]=4 1067 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_200025704644_100000749937 [1,1,0,0,0,0|2,0,0]=4 1068 B9R1.2 N#Cc1cc(ccn1)O 271570a_203496583355_100000685610 [1,1,0,0,0,0|1,0,1]=4 1069 B9R1.2 N#Cc1cccc(n1)O 271570a_203496583355_100011934037 [1,1,0,0,0,0|1,0,1]=4 1070 B9R1.2 NCc1cc(ccn1)O 271570a_203496583355_100000085674 [1,1,0,0,0,0|1,0,1]=4 1071 B9R1.2 NCc1cccc(n1)O 271570a_203496583355_100016990191 [1,1,0,0,0,0|1,0,1]=4 1072 B9R1.2 NNc1cc(ccn1)O 271570a_203496583355_100000764631 [1,1,0,0,0,0|2,0,0]=4 1073 B9R1.2 NNc1cccc(n1)O 271570a_203496583355_100009817029 [1,1,0,0,0,0|2,0,0]=4 1074 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [1,1,0,0,0,0|0,0,0]=2 1075 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [1,1,0,0,0,0|1,0,0]=3 1076 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [1,1,0,0,0,0|0,0,0]=2 1077 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [1,1,0,0,0,0|2,0,0]=4 1078 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [1,1,0,0,0,0|2,0,0]=4 1079 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [1,1,0,0,0,0|0,0,2]=4 1080 B9R1.2 OCc1cccc(n1)O 271570a_203496583355_100000694195 [1,1,0,0,0,0|0,0,2]=4 1081 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [1,1,0,0,0,0|2,0,0]=4 1082 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [1,1,0,0,0,0|2,0,0]=4 1083 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [1,1,0,0,0,0|2,0,0]=4 1084 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [1,1,0,0,0,0|2,0,0]=4 1085 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [1,1,0,0,0,0|2,0,0]=4 1086 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [1,1,0,0,0,0|1,0,1]=4 1087 B9R1.2 [13CH3]Oc1cccc(c1)Br 34a_100000210342_200025704644 [1,1,0,0,0,0|2,0,0]=4 1088 B9R1.2 [13CH3]Oc1cccc(c1)Br 7a_100000210342_200025704644 [1,1,0,0,0,0|2,0,0]=4 1089 B9R1.2 [13CH3]Oc1cccc(c1)Cl 34a_100000210295_200025704644 [1,1,0,0,0,0|2,0,0]=4 1090 B9R1.2 [13CH3]Oc1cccc(c1)Cl 7a_100000210295_200025704644 [1,1,0,0,0,0|2,0,0]=4 1091 B9R1.2 [13CH3]Oc1cccc(c1)F 34a_100000210426_200025704644 [1,1,0,0,0,0|2,0,0]=4 1092 B9R1.2 [13CH3]Oc1cccc(c1)F 7a_100000210426_200025704644 [1,1,0,0,0,0|2,0,0]=4 1093 B9R1.2 [13CH3]Oc1cccc(c1)I 34a_100000211634_200025704644 [1,1,0,0,0,0|2,0,0]=4 1094 B9R1.2 [13CH3]Oc1cccc(c1)I 7a_100000211634_200025704644 [1,1,0,0,0,0|2,0,0]=4 1095 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [1,1,0,0,0,0|2,0,0]=4 1096 B9R1.2 [13CH3]Oc1cccc(n1)F 34a_100011432558_200025704644 [1,1,0,0,0,0|1,0,0]=3 1097 B9R1.2 [13CH3]Sc1c[n+](ccn1)[O-] 62a_200025704644_100009880115 [1,1,0,0,0,0|2,0,0]=4 1098 B9R1.2 [13CH3]Sc1cc(=O)[nH]cn1 62a_100012002517_200025704644 [1,1,0,0,0,0|2,0,0]=4 1099 B9R1.2 [13CH3]Sc1cc(=O)cc[nH]1 62a_100009817434_200025704644 [1,1,0,0,0,0|1,0,1]=4 1100 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_100010167805_200025704644 [1,1,0,0,0,0|1,0,0]=3 1101 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_200025704644_100010167805 [1,1,0,0,0,0|1,0,0]=3 1102 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_100000764206_200025704644 [1,1,0,0,0,0|1,0,0]=3 1103 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_200025704644_100000764206 [1,1,0,0,0,0|1,0,0]=3 1104 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_100009814236_200025704644 [1,1,0,0,0,0|1,0,0]=3 1105 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_200025704644_100009814236 [1,1,0,0,0,0|1,0,0]=3 1106 B9R1.2 [13CH3]Sc1cc(ccn1)O 62a_200025704644_100000762945 [1,1,0,0,0,0|1,0,0]=3 1107 B9R1.2 [13CH3]Sc1cc(cnn1)N 62a_100011996757_200025704644 [1,1,0,0,0,0|2,0,0]=4 1108 B9R1.2 [13CH3]Sc1cc(cnn1)N 62a_200025704644_100011996757 [1,1,0,0,0,0|2,0,0]=4 1109 B9R1.2 [13CH3]Sc1cc(cnn1)O 62a_200025704644_200010734679 [1,1,0,0,0,0|2,0,0]=4 1110 B9R1.2 [13CH3]Sc1cc(ncn1)Cl 62a_100010161198_200025704644 [1,1,0,0,0,0|2,0,0]=4 1111 B9R1.2 [13CH3]Sc1cc(ncn1)Cl 62a_200025704644_100010161198 [1,1,0,0,0,0|2,0,0]=4 1112 B9R1.2 [13CH3]Sc1cc(ncn1)F 62a_200009880791_200025704644 [1,1,0,0,0,0|2,0,0]=4 1113 B9R1.2 [13CH3]Sc1cc(ncn1)F 62a_200025704644_200009880791 [1,1,0,0,0,0|2,0,0]=4 1114 B9R1.2 [13CH3]Sc1cc(ncn1)N 62a_100000701291_200025704644 [1,1,0,0,0,0|2,0,0]=4 1115 B9R1.2 [13CH3]Sc1cc(ncn1)N 62a_200025704644_100000701291 [1,1,0,0,0,0|2,0,0]=4 1116 B9R1.2 [13CH3]Sc1cc(ncn1)O 62a_200025704644_100000765262 [1,1,0,0,0,0|2,0,0]=4 1117 B9R1.2 [13CH3]Sc1cc[nH]c(=O)n1 62a_200025704644_200000134032 [1,1,0,0,0,0|2,0,0]=4 1118 B9R1.2 [13CH3]Sc1cccc(=O)[nH]1 62a_200025704644_100000752884 [1,1,0,0,0,0|1,0,1]=4 1119 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [1,1,0,0,0,0|2,0,0]=4 1120 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [1,1,0,0,0,0|2,0,0]=4 1121 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [1,1,0,0,0,0|2,0,0]=4 1122 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [1,1,0,0,0,0|2,0,0]=4 1123 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [1,1,0,0,0,0|2,0,0]=4 1124 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [1,1,0,0,0,0|2,0,0]=4 1125 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [1,1,0,0,0,0|2,0,0]=4 1126 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [1,1,0,0,0,0|2,0,0]=4 1127 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [1,1,0,0,0,0|2,0,0]=4 1128 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [1,1,0,0,0,0|2,0,0]=4 1129 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [1,1,0,0,0,0|2,0,0]=4 1130 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_100000684672_200025704644 [1,1,0,0,0,0|1,0,0]=3 1131 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_200025704644_100000684672 [1,1,0,0,0,0|1,0,0]=3 1132 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_100000051397_200025704644 [1,1,0,0,0,0|1,0,0]=3 1133 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_200025704644_100000051397 [1,1,0,0,0,0|1,0,0]=3 1134 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_100009815982_200025704644 [1,1,0,0,0,0|1,0,0]=3 1135 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_200025704644_100009815982 [1,1,0,0,0,0|1,0,0]=3 1136 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_100000740741_200025704644 [1,1,0,0,0,0|1,0,0]=3 1137 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_200025704644_100000740741 [1,1,0,0,0,0|1,0,0]=3 1138 B9R1.2 [13CH3]Sc1ccnc(n1)Cl 62a_100010154678_200025704644 [1,1,0,0,0,0|2,0,0]=4 1139 B9R1.2 [13CH3]Sc1ccnc(n1)Cl 62a_200025704644_100010154678 [1,1,0,0,0,0|2,0,0]=4 1140 B9R1.2 [13CH3]Sc1ccnc(n1)N 62a_100000055538_200025704644 [1,1,0,0,0,0|2,0,0]=4 1141 B9R1.2 [13CH3]Sc1ccnc(n1)N 62a_200025704644_100000055538 [1,1,0,0,0,0|2,0,0]=4 1142 B9R1.2 [13CH3]Sc1cncc(n1)Cl 62a_100010892449_200025704644 [1,1,0,0,0,0|2,0,0]=4 1143 B9R1.2 [13CH3]Sc1cncc(n1)Cl 62a_200025704644_100010892449 [1,1,0,0,0,0|2,0,0]=4 1144 B9R1.2 [13CH3]Sc1cncc(n1)F 62a_200009863489_200025704644 [1,1,0,0,0,0|2,0,0]=4 1145 B9R1.2 [13CH3]Sc1cncc(n1)F 62a_200025704644_200009863489 [1,1,0,0,0,0|2,0,0]=4 1146 B9R1.2 [13CH3]Sc1cncc(n1)N 62a_100000747728_200025704644 [1,1,0,0,0,0|2,0,0]=4 1147 B9R1.2 [13CH3]Sc1cncc(n1)N 62a_200025704644_100000747728 [1,1,0,0,0,0|2,0,0]=4 1148 B9R1.2 [13CH3]Sc1cncc(n1)O 62a_200025704644_100011269956 [1,1,0,0,0,0|2,0,0]=4 1149 B9R1.2 [13CH3]Sc1nccc(n1)N 62a_100000757536_200025704644 [1,1,0,0,0,0|2,0,0]=4 1150 B9R1.2 [13CH3]Sc1nccc(n1)N 62a_200025704644_100000757536 [1,1,0,0,0,0|2,0,0]=4 1151 B9R1.2 [13CH3]Sc1nccc(n1)O 62a_200025704644_100011649813 [1,1,0,0,0,0|2,0,0]=4 1152 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,1,0,0,0,0|1,0,1]=4 1153 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [1,1,0,0,0,0|0,0,1]=3 1154 B9R1.8 C=C=Cc1cccnn1 271570a_100015277604_100016991348 [1,1,0,0,0,0|1,0,1]=4 1155 B9R1.8 C=C=Cc1ccncn1 271570a_100015277604_100000703185 [1,1,0,0,0,0|1,0,1]=4 1156 B9R1.8 C=C=Cc1cnccn1 271570a_100015277604_100000758340 [1,1,0,0,0,0|1,0,1]=4 1157 B9R1.8 C=C=Cc1ncccn1 271570a_100015277604_100000211032 [1,1,0,0,0,0|1,0,1]=4 1158 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,1,0,0,0,0|1,0,0]=3 1159 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,1,0,0,0,0|0,0,0]=2 1160 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,1,0,0,0,0|2,0,0]=4 1161 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [1,1,0,0,0,0|1,0,0]=3 1162 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,1,0,0,0,0|2,0,0]=4 1163 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [1,1,0,0,0,0|1,0,0]=3 1164 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [1,1,0,0,0,0|1,0,0]=3 1165 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [1,1,0,0,0,0|1,0,0]=3 1166 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,1,0,0,0,0|1,0,1]=4 1167 B9R1.8 CCNc1cccnn1 27a_100015525214_100016991348 [1,1,0,0,0,0|1,0,1]=4 1168 B9R1.8 CCNc1ccncn1 27a_100015525214_100000703185 [1,1,0,0,0,0|1,0,1]=4 1169 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [1,1,0,0,0,0|1,0,1]=4 1170 B9R1.8 CCNc1ncccn1 27a_100015525214_100000211032 [1,1,0,0,0,0|1,0,1]=4 1171 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,1,0,0,0,0|1,0,1]=4 1172 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,1,0,0,0,0|1,0,1]=4 1173 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,1,0,0,0,0|1,0,1]=4 1174 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,1,0,0,0,0|1,0,1]=4 1175 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [1,1,0,0,0,0|0,0,1]=3 1176 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [1,1,0,0,0,0|0,0,1]=3 1177 B9R1.8 CCSc1cccnn1 62a_100000210202_100016991348 [1,1,0,0,0,0|1,0,1]=4 1178 B9R1.8 CCSc1cccnn1 62a_100016991348_100000210202 [1,1,0,0,0,0|1,0,1]=4 1179 B9R1.8 CCSc1ccncn1 62a_100000210202_100000703185 [1,1,0,0,0,0|1,0,1]=4 1180 B9R1.8 CCSc1ccncn1 62a_100000703185_100000210202 [1,1,0,0,0,0|1,0,1]=4 1181 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [1,1,0,0,0,0|1,0,1]=4 1182 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [1,1,0,0,0,0|1,0,1]=4 1183 B9R1.8 CCSc1ncccn1 62a_100000210202_100000211032 [1,1,0,0,0,0|1,0,1]=4 1184 B9R1.8 CCSc1ncccn1 62a_100000211032_100000210202 [1,1,0,0,0,0|1,0,1]=4 1185 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,1,0,0,0,0|1,0,1]=4 1186 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,1,0,0,0,0|1,0,1]=4 1187 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,1,0,0,0,0|1,0,1]=4 1188 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,1,0,0,0,0|1,0,1]=4 1189 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,1,0,0,0,0|1,0,1]=4 1190 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,1,0,0,0,0|1,0,1]=4 1191 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,1,0,0,0,0|1,0,1]=4 1192 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,1,0,0,0,0|0,0,1]=3 1193 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,1,0,0,0,0|0,0,1]=3 1194 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,1,0,0,0,0|0,0,1]=3 1195 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,1,0,0,0,0|0,0,1]=3 1196 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,1,0,0,0,0|0,0,1]=3 1197 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [1,1,0,0,0,0|1,0,1]=4 1198 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [1,1,0,0,0,0|1,0,1]=4 1199 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [1,1,0,0,0,0|1,0,1]=4 1200 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [1,1,0,0,0,0|1,0,1]=4 1201 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [1,1,0,0,0,0|1,0,1]=4 1202 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [1,1,0,0,0,0|1,0,1]=4 1203 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [1,1,0,0,0,0|1,0,1]=4 1204 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [1,1,0,0,0,0|1,0,1]=4 1205 B9R1.8 CNCc1ncccn1 2230a_106832991635_100000703007 [1,1,0,0,0,0|1,0,1]=4 1206 B9R1.8 CNCc1ncccn1 270004a_106832991635_100011532527 [1,1,0,0,0,0|1,0,1]=4 1207 B9R1.8 CNCc1ncccn1 34a_100102657272_100000703007 [1,1,0,0,0,0|1,0,1]=4 1208 B9R1.8 CNCc1ncccn1 7a_106832991635_100000703007 [1,1,0,0,0,0|1,0,1]=4 1209 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,1,0,0,0,0|1,0,1]=4 1210 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,1,0,0,0,0|1,0,1]=4 1211 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,1,0,0,0,0|1,0,1]=4 1212 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,1,0,0,0,0|0,0,1]=3 1213 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [1,1,0,0,0,0|1,0,1]=4 1214 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [1,1,0,0,0,0|1,0,1]=4 1215 B9R1.8 COCc1ncccn1 34a_100138415774_100000703007 [1,1,0,0,0,0|1,0,1]=4 1216 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,1,0,0,0,0|1,0,1]=4 1217 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,1,0,0,0,0|1,0,1]=4 1218 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,1,0,0,0,0|0,0,1]=3 1219 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,1,0,0,0,0|0,0,1]=3 1220 B9R1.8 CSCc1cccnn1 62a_100016990269_200000210301 [1,1,0,0,0,0|1,0,1]=4 1221 B9R1.8 CSCc1cccnn1 62a_200000210301_100016990269 [1,1,0,0,0,0|1,0,1]=4 1222 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [1,1,0,0,0,0|1,0,1]=4 1223 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [1,1,0,0,0,0|1,0,1]=4 1224 B9R1.8 CSCc1ncccn1 62a_100000703007_200000210301 [1,1,0,0,0,0|1,0,1]=4 1225 B9R1.8 CSCc1ncccn1 62a_200000210301_100000703007 [1,1,0,0,0,0|1,0,1]=4 1226 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,1,0,0,0,0|2,0,0]=4 1227 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,1,0,0,0,0|2,0,0]=4 1228 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,1,0,0,0,0|2,0,0]=4 1229 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,1,0,0,0,0|2,0,0]=4 1230 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,1,0,0,0,0|2,0,0]=4 1231 B9R1.8 FCSc1ccccn1 62a_100011216584_100015361967 [1,1,0,0,0,0|1,0,0]=3 1232 B9R1.8 FCSc1ccccn1 62a_100015361967_100011216584 [1,1,0,0,0,0|1,0,0]=3 1233 B9R1.8 FCSc1cccnn1 62a_100015361967_100016991348 [1,1,0,0,0,0|2,0,0]=4 1234 B9R1.8 FCSc1cccnn1 62a_100016991348_100015361967 [1,1,0,0,0,0|2,0,0]=4 1235 B9R1.8 FCSc1ccncn1 62a_100000703185_100015361967 [1,1,0,0,0,0|2,0,0]=4 1236 B9R1.8 FCSc1ccncn1 62a_100015361967_100000703185 [1,1,0,0,0,0|2,0,0]=4 1237 B9R1.8 FCSc1cnccn1 62a_100000211759_100015361967 [1,1,0,0,0,0|2,0,0]=4 1238 B9R1.8 FCSc1cnccn1 62a_100015361967_100000211759 [1,1,0,0,0,0|2,0,0]=4 1239 B9R1.8 FCSc1ncccn1 62a_100000211032_100015361967 [1,1,0,0,0,0|2,0,0]=4 1240 B9R1.8 FCSc1ncccn1 62a_100015361967_100000211032 [1,1,0,0,0,0|2,0,0]=4 1241 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,1,0,0,0,0|1,0,1]=4 1242 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,1,0,0,0,0|1,0,1]=4 1243 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [1,1,0,0,0,0|1,0,1]=4 1244 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,1,0,0,0,0|1,0,1]=4 1245 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,1,0,0,0,0|1,0,1]=4 1246 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,1,0,0,0,0|1,0,1]=4 1247 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,1,0,0,0,0|1,0,1]=4 1248 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,1,0,0,0,0|0,0,1]=3 1249 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,1,0,0,0,0|0,0,1]=3 1250 B9R1.8 [13CH3]SCc1cccnn1 62a_100016990269_200025704644 [1,1,0,0,0,0|1,0,1]=4 1251 B9R1.8 [13CH3]SCc1cccnn1 62a_200025704644_100016990269 [1,1,0,0,0,0|1,0,1]=4 1252 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [1,1,0,0,0,0|1,0,1]=4 1253 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [1,1,0,0,0,0|1,0,1]=4 1254 B9R1.8 [13CH3]SCc1ncccn1 62a_100000703007_200025704644 [1,1,0,0,0,0|1,0,1]=4 1255 B9R1.8 [13CH3]SCc1ncccn1 62a_200025704644_100000703007 [1,1,0,0,0,0|1,0,1]=4 1256 B9R1.15 C=Cc1cccc[n+]1C 271570a_100011290941_100000212160 [1,1,0,0,0,0|0,0,2]=4 1257 B9R1.15 C=Cc1cccc[n+]1[O-] 271570a_100011290941_200000042595 [1,1,0,0,0,0|0,0,2]=4 1258 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [1,1,0,0,0,0|1,0,1]=4 1259 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [1,1,0,0,0,0|1,0,1]=4 1260 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [1,1,0,0,0,0|1,0,1]=4 1261 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [1,1,0,0,0,0|1,0,1]=4 1262 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [1,1,0,0,0,0|1,0,1]=4 1263 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [1,1,0,0,0,0|1,0,1]=4 1264 B9R1.15 C=Cc1ncc[nH]c1=O 271570a_100011290941_100000763361 [1,1,0,0,0,0|1,0,1]=4 1265 B9R1.15 C=Cc1ncccc1Br 271570a_100011290941_100000696092 [1,1,0,0,0,0|0,0,1]=3 1266 B9R1.15 C=Cc1ncccc1C 271570a_100011290941_100000751373 [1,1,0,0,0,0|0,0,1]=3 1267 B9R1.15 C=Cc1ncccc1Cl 271570a_100011290941_100011356963 [1,1,0,0,0,0|0,0,1]=3 1268 B9R1.15 C=Cc1ncccc1F 271570a_100011290941_100000685392 [1,1,0,0,0,0|0,0,1]=3 1269 B9R1.15 C=Cc1ncccc1N 271570a_100011290941_100000688686 [1,1,0,0,0,0|0,0,1]=3 1270 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [1,1,0,0,0,0|0,0,1]=3 1271 B9R1.15 C=Cc1nccnc1C 271570a_100011290941_100011999405 [1,1,0,0,0,0|1,0,1]=4 1272 B9R1.15 C=Cc1nccnc1F 271570a_100011290941_200010125657 [1,1,0,0,0,0|1,0,1]=4 1273 B9R1.15 C=Cc1nccnc1N 271570a_100011290941_100000747729 [1,1,0,0,0,0|1,0,1]=4 1274 B9R1.15 C=Cc1ncncc1C 271570a_100011290941_100011998708 [1,1,0,0,0,0|1,0,1]=4 1275 B9R1.15 C=Cc1ncncc1F 271570a_100011290941_100000069762 [1,1,0,0,0,0|1,0,1]=4 1276 B9R1.15 C=Cc1ncncc1N 271570a_100011290941_100000709731 [1,1,0,0,0,0|1,0,1]=4 1277 B9R1.15 C=Cc1nnccc1C 271570a_100011290941_100000089043 [1,1,0,0,0,0|1,0,1]=4 1278 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [1,1,0,0,0,0|1,0,1]=4 1279 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [1,1,0,0,0,0|0,0,1]=3 1280 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [1,1,0,0,0,0|1,0,1]=4 1281 B9R1.15 CCc1ncncc1O 271570a_203496583355_100009816992 [1,1,0,0,0,0|1,0,1]=4 1282 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [1,1,0,0,0,0|2,0,0]=4 1283 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [1,1,0,0,0,0|2,0,0]=4 1284 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [1,1,0,0,0,0|2,0,0]=4 1285 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [1,1,0,0,0,0|2,0,0]=4 1286 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [1,1,0,0,0,0|2,0,0]=4 1287 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [1,1,0,0,0,0|2,0,0]=4 1288 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [1,1,0,0,0,0|2,0,0]=4 1289 B9R1.15 CNc1ncccc1Br 27a_100102657272_100000696092 [1,1,0,0,0,0|1,0,0]=3 1290 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [1,1,0,0,0,0|1,0,0]=3 1291 B9R1.15 CNc1nccnc1C 27a_100102657272_100011999405 [1,1,0,0,0,0|2,0,0]=4 1292 B9R1.15 CNc1nccnc1F 27a_100102657272_200010125657 [1,1,0,0,0,0|2,0,0]=4 1293 B9R1.15 CNc1nccnc1O 271570a_203496583355_100011529439 [1,1,0,0,0,0|2,0,0]=4 1294 B9R1.15 CNc1ncncc1C 27a_100102657272_100011998708 [1,1,0,0,0,0|2,0,0]=4 1295 B9R1.15 CNc1ncncc1F 27a_100102657272_100000069762 [1,1,0,0,0,0|2,0,0]=4 1296 B9R1.15 CNc1ncncc1N 27a_100102657272_100000709731 [1,1,0,0,0,0|2,0,0]=4 1297 B9R1.15 CNc1ncncc1O 271570a_203496583355_200012180720 [1,1,0,0,0,0|2,0,0]=4 1298 B9R1.15 CNc1nnccc1C 27a_100102657272_100000089043 [1,1,0,0,0,0|2,0,0]=4 1299 B9R1.15 COc1cccc[n+]1[O-] 7a_100000211761_200000210301 [1,1,0,0,0,0|1,0,1]=4 1300 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [1,1,0,0,0,0|2,0,0]=4 1301 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [1,1,0,0,0,0|2,0,0]=4 1302 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [1,1,0,0,0,0|2,0,0]=4 1303 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [1,1,0,0,0,0|2,0,0]=4 1304 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [1,1,0,0,0,0|2,0,0]=4 1305 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [1,1,0,0,0,0|2,0,0]=4 1306 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [1,1,0,0,0,0|2,0,0]=4 1307 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [1,1,0,0,0,0|2,0,0]=4 1308 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [1,1,0,0,0,0|2,0,0]=4 1309 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [1,1,0,0,0,0|2,0,0]=4 1310 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [1,1,0,0,0,0|2,0,0]=4 1311 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [1,1,0,0,0,0|2,0,0]=4 1312 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [1,1,0,0,0,0|2,0,0]=4 1313 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [1,1,0,0,0,0|1,0,0]=3 1314 B9R1.15 COc1ncccc1F 34a_100011219419_200000210301 [1,1,0,0,0,0|1,0,0]=3 1315 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [1,1,0,0,0,0|1,0,0]=3 1316 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [1,1,0,0,0,0|1,0,0]=3 1317 B9R1.15 COc1nccnc1C 34a_100000766352_200000210301 [1,1,0,0,0,0|2,0,0]=4 1318 B9R1.15 COc1nccnc1O 271570a_203496583355_100000749998 [1,1,0,0,0,0|2,0,0]=4 1319 B9R1.15 COc1ncncc1O 271570a_203496583355_100000719902 [1,1,0,0,0,0|2,0,0]=4 1320 B9R1.15 CSc1cccc[n+]1C 62a_200000210301_100000212160 [1,1,0,0,0,0|1,0,1]=4 1321 B9R1.15 CSc1cccc[n+]1[O-] 62a_200000210301_200000042595 [1,1,0,0,0,0|1,0,1]=4 1322 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [1,1,0,0,0,0|2,0,0]=4 1323 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [1,1,0,0,0,0|2,0,0]=4 1324 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [1,1,0,0,0,0|2,0,0]=4 1325 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [1,1,0,0,0,0|2,0,0]=4 1326 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [1,1,0,0,0,0|2,0,0]=4 1327 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [1,1,0,0,0,0|2,0,0]=4 1328 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [1,1,0,0,0,0|2,0,0]=4 1329 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [1,1,0,0,0,0|2,0,0]=4 1330 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [1,1,0,0,0,0|2,0,0]=4 1331 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [1,1,0,0,0,0|2,0,0]=4 1332 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [1,1,0,0,0,0|2,0,0]=4 1333 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [1,1,0,0,0,0|2,0,0]=4 1334 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [1,1,0,0,0,0|2,0,0]=4 1335 B9R1.15 CSc1ncc[nH]c1=O 62a_200000210301_100000763361 [1,1,0,0,0,0|2,0,0]=4 1336 B9R1.15 CSc1ncccc1Br 62a_100000696092_200000210301 [1,1,0,0,0,0|1,0,0]=3 1337 B9R1.15 CSc1ncccc1Br 62a_200000210301_100000696092 [1,1,0,0,0,0|1,0,0]=3 1338 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [1,1,0,0,0,0|1,0,0]=3 1339 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [1,1,0,0,0,0|1,0,0]=3 1340 B9R1.15 CSc1ncccc1Cl 62a_100011356963_200000210301 [1,1,0,0,0,0|1,0,0]=3 1341 B9R1.15 CSc1ncccc1Cl 62a_200000210301_100011356963 [1,1,0,0,0,0|1,0,0]=3 1342 B9R1.15 CSc1ncccc1F 62a_100000685392_200000210301 [1,1,0,0,0,0|1,0,0]=3 1343 B9R1.15 CSc1ncccc1F 62a_200000210301_100000685392 [1,1,0,0,0,0|1,0,0]=3 1344 B9R1.15 CSc1ncccc1N 62a_100000688686_200000210301 [1,1,0,0,0,0|1,0,0]=3 1345 B9R1.15 CSc1ncccc1N 62a_200000210301_100000688686 [1,1,0,0,0,0|1,0,0]=3 1346 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [1,1,0,0,0,0|1,0,0]=3 1347 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [1,1,0,0,0,0|1,0,0]=3 1348 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [1,1,0,0,0,0|1,0,0]=3 1349 B9R1.15 CSc1nccnc1C 62a_100011999405_200000210301 [1,1,0,0,0,0|2,0,0]=4 1350 B9R1.15 CSc1nccnc1C 62a_200000210301_100011999405 [1,1,0,0,0,0|2,0,0]=4 1351 B9R1.15 CSc1nccnc1Cl 62a_100010886584_200000210301 [1,1,0,0,0,0|2,0,0]=4 1352 B9R1.15 CSc1nccnc1Cl 62a_200000210301_100010886584 [1,1,0,0,0,0|2,0,0]=4 1353 B9R1.15 CSc1nccnc1F 62a_200000210301_200010125657 [1,1,0,0,0,0|2,0,0]=4 1354 B9R1.15 CSc1nccnc1F 62a_200010125657_200000210301 [1,1,0,0,0,0|2,0,0]=4 1355 B9R1.15 CSc1nccnc1N 62a_100000747729_200000210301 [1,1,0,0,0,0|2,0,0]=4 1356 B9R1.15 CSc1nccnc1N 62a_200000210301_100000747729 [1,1,0,0,0,0|2,0,0]=4 1357 B9R1.15 CSc1ncncc1C 62a_100011998708_200000210301 [1,1,0,0,0,0|2,0,0]=4 1358 B9R1.15 CSc1ncncc1C 62a_200000210301_100011998708 [1,1,0,0,0,0|2,0,0]=4 1359 B9R1.15 CSc1ncncc1F 62a_100000069762_200000210301 [1,1,0,0,0,0|2,0,0]=4 1360 B9R1.15 CSc1ncncc1F 62a_200000210301_100000069762 [1,1,0,0,0,0|2,0,0]=4 1361 B9R1.15 CSc1ncncc1N 62a_100000709731_200000210301 [1,1,0,0,0,0|2,0,0]=4 1362 B9R1.15 CSc1ncncc1N 62a_200000210301_100000709731 [1,1,0,0,0,0|2,0,0]=4 1363 B9R1.15 CSc1nnccc1C 62a_200000210301_100000089043 [1,1,0,0,0,0|2,0,0]=4 1364 B9R1.15 C[n+]1ccccc1S[13CH3] 62a_200025704644_100000212160 [1,1,0,0,0,0|1,0,1]=4 1365 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [1,1,0,0,0,0|2,0,0]=4 1366 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [1,1,0,0,0,0|2,0,0]=4 1367 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [1,1,0,0,0,0|2,0,0]=4 1368 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [1,1,0,0,0,0|2,0,0]=4 1369 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [1,1,0,0,0,0|2,0,0]=4 1370 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [1,1,0,0,0,0|1,0,0]=3 1371 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [1,1,0,0,0,0|1,0,0]=3 1372 B9R1.15 Cc1ccnnc1S[13CH3] 62a_200025704644_100000089043 [1,1,0,0,0,0|2,0,0]=4 1373 B9R1.15 Cc1cncnc1S[13CH3] 62a_100011998708_200025704644 [1,1,0,0,0,0|2,0,0]=4 1374 B9R1.15 Cc1cncnc1S[13CH3] 62a_200025704644_100011998708 [1,1,0,0,0,0|2,0,0]=4 1375 B9R1.15 Cc1nccnc1O[13CH3] 34a_100000766352_200025704644 [1,1,0,0,0,0|2,0,0]=4 1376 B9R1.15 Cc1nccnc1S[13CH3] 62a_100011999405_200025704644 [1,1,0,0,0,0|2,0,0]=4 1377 B9R1.15 Cc1nccnc1S[13CH3] 62a_200025704644_100011999405 [1,1,0,0,0,0|2,0,0]=4 1378 B9R1.15 N#Cc1ncccc1O 271570a_203496583355_100000685805 [1,1,0,0,0,0|1,0,1]=4 1379 B9R1.15 NCc1ncccc1O 271570a_203496583355_100020591323 [1,1,0,0,0,0|1,0,1]=4 1380 B9R1.15 NNc1ncccc1O 271570a_203496583355_100011464834 [1,1,0,0,0,0|2,0,0]=4 1381 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [1,1,0,0,0,0|1,0,0]=3 1382 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [1,1,0,0,0,0|2,0,0]=4 1383 B9R1.15 O=Cc1ccncc1O 271570a_203496583355_100011934409 [1,1,0,0,0,0|2,0,0]=4 1384 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [1,1,0,0,0,0|2,0,0]=4 1385 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [1,1,0,0,0,0|0,0,0]=2 1386 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [1,1,0,0,0,0|0,0,2]=4 1387 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [1,1,0,0,0,0|2,0,0]=4 1388 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [1,1,0,0,0,0|2,0,0]=4 1389 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [1,1,0,0,0,0|2,0,0]=4 1390 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [1,1,0,0,0,0|2,0,0]=4 1391 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [1,1,0,0,0,0|2,0,0]=4 1392 B9R1.15 [13CH3]Oc1cccc[n+]1[O-] 7a_100000211761_200025704644 [1,1,0,0,0,0|1,0,1]=4 1393 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [1,1,0,0,0,0|2,0,0]=4 1394 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [1,1,0,0,0,0|2,0,0]=4 1395 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [1,1,0,0,0,0|2,0,0]=4 1396 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [1,1,0,0,0,0|2,0,0]=4 1397 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [1,1,0,0,0,0|2,0,0]=4 1398 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [1,1,0,0,0,0|2,0,0]=4 1399 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [1,1,0,0,0,0|2,0,0]=4 1400 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [1,1,0,0,0,0|2,0,0]=4 1401 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [1,1,0,0,0,0|2,0,0]=4 1402 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [1,1,0,0,0,0|2,0,0]=4 1403 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [1,1,0,0,0,0|1,0,0]=3 1404 B9R1.15 [13CH3]Oc1ncccc1F 34a_100011219419_200025704644 [1,1,0,0,0,0|1,0,0]=3 1405 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [1,1,0,0,0,0|1,0,0]=3 1406 B9R1.15 [13CH3]Sc1cccc[n+]1[O-] 62a_200025704644_200000042595 [1,1,0,0,0,0|1,0,1]=4 1407 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [1,1,0,0,0,0|2,0,0]=4 1408 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [1,1,0,0,0,0|2,0,0]=4 1409 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [1,1,0,0,0,0|2,0,0]=4 1410 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [1,1,0,0,0,0|2,0,0]=4 1411 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [1,1,0,0,0,0|2,0,0]=4 1412 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [1,1,0,0,0,0|2,0,0]=4 1413 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [1,1,0,0,0,0|2,0,0]=4 1414 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [1,1,0,0,0,0|2,0,0]=4 1415 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [1,1,0,0,0,0|2,0,0]=4 1416 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [1,1,0,0,0,0|2,0,0]=4 1417 B9R1.15 [13CH3]Sc1ncc[nH]c1=O 62a_200025704644_100000763361 [1,1,0,0,0,0|2,0,0]=4 1418 B9R1.15 [13CH3]Sc1ncccc1Br 62a_100000696092_200025704644 [1,1,0,0,0,0|1,0,0]=3 1419 B9R1.15 [13CH3]Sc1ncccc1Br 62a_200025704644_100000696092 [1,1,0,0,0,0|1,0,0]=3 1420 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_100011356963_200025704644 [1,1,0,0,0,0|1,0,0]=3 1421 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_200025704644_100011356963 [1,1,0,0,0,0|1,0,0]=3 1422 B9R1.15 [13CH3]Sc1ncccc1F 62a_100000685392_200025704644 [1,1,0,0,0,0|1,0,0]=3 1423 B9R1.15 [13CH3]Sc1ncccc1F 62a_200025704644_100000685392 [1,1,0,0,0,0|1,0,0]=3 1424 B9R1.15 [13CH3]Sc1ncccc1N 62a_100000688686_200025704644 [1,1,0,0,0,0|1,0,0]=3 1425 B9R1.15 [13CH3]Sc1ncccc1N 62a_200025704644_100000688686 [1,1,0,0,0,0|1,0,0]=3 1426 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [1,1,0,0,0,0|1,0,0]=3 1427 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [1,1,0,0,0,0|1,0,0]=3 1428 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_100010886584_200025704644 [1,1,0,0,0,0|2,0,0]=4 1429 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_200025704644_100010886584 [1,1,0,0,0,0|2,0,0]=4 1430 B9R1.15 [13CH3]Sc1nccnc1F 62a_200010125657_200025704644 [1,1,0,0,0,0|2,0,0]=4 1431 B9R1.15 [13CH3]Sc1nccnc1F 62a_200025704644_200010125657 [1,1,0,0,0,0|2,0,0]=4 1432 B9R1.15 [13CH3]Sc1nccnc1N 62a_100000747729_200025704644 [1,1,0,0,0,0|2,0,0]=4 1433 B9R1.15 [13CH3]Sc1nccnc1N 62a_200025704644_100000747729 [1,1,0,0,0,0|2,0,0]=4 1434 B9R1.15 [13CH3]Sc1ncncc1F 62a_100000069762_200025704644 [1,1,0,0,0,0|2,0,0]=4 1435 B9R1.15 [13CH3]Sc1ncncc1F 62a_200025704644_100000069762 [1,1,0,0,0,0|2,0,0]=4 1436 B9R1.15 [13CH3]Sc1ncncc1N 62a_100000709731_200025704644 [1,1,0,0,0,0|2,0,0]=4 1437 B9R1.15 [13CH3]Sc1ncncc1N 62a_200025704644_100000709731 [1,1,0,0,0,0|2,0,0]=4 1438 B9R1.35 C=C(C)c1c[nH]c(n1)C 271570a_100000694244_100009814057 [0,1,0,0,1,0|2,0,0]=4 1439 B9R1.35 C=C(C)c1cc([nH]n1)C 271570a_100000694244_100015199547 [0,1,0,0,1,0|2,0,0]=4 1440 B9R1.35 C=C(C)c1cc([nH]n1)N 271570a_100000694244_100009822546 [0,1,0,0,1,0|2,0,0]=4 1441 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [0,1,0,0,1,0|2,0,0]=4 1442 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [0,1,0,0,1,0|2,0,0]=4 1443 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [0,1,0,0,1,0|2,0,0]=4 1444 B9R1.35 C=C(C)c1ccn(n1)C 271570a_100000694244_100000752436 [0,1,0,0,1,0|2,0,0]=4 1445 B9R1.35 C=C(C)c1cn(cn1)C 271570a_100000694244_100000040308 [0,1,0,0,1,0|2,0,0]=4 1446 B9R1.35 C=C(C)c1csc(c1)C 271570a_100000694244_100000759034 [0,1,0,0,1,0|2,0,0]=4 1447 B9R1.35 C=C(C)c1csc(n1)C 271570a_100000694244_100011934587 [0,1,0,0,1,0|2,0,0]=4 1448 B9R1.35 C=C(C)c1csc(n1)N 271570a_100000694244_100011998049 [0,1,0,0,1,0|2,0,0]=4 1449 B9R1.35 C=C(C)c1nc(c[nH]1)C 271570a_100000694244_100161115468 [0,1,0,0,1,0|2,0,0]=4 1450 B9R1.35 C=C(C)c1nc(cs1)Br 271570a_100000694244_200016082925 [0,1,0,0,1,0|2,0,0]=4 1451 B9R1.35 C=C(C)c1nc(cs1)C 271570a_100000694244_100011291629 [0,1,0,0,1,0|2,0,0]=4 1452 B9R1.35 C=C(C)c1nc(cs1)N 271570a_100000694244_200015188442 [0,1,0,0,1,0|2,0,0]=4 1453 B9R1.35 C=C(C)c1ncc(s1)C 271570a_100000694244_100000690809 [0,1,0,0,1,0|2,0,0]=4 1454 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,1,0,0,1,0|1,0,0]=3 1455 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,1,0,0,1,0|0,0,1]=3 1456 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,1,0,0,1,0|1,0,0]=3 1457 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,1,0,0,1,0|1,0,0]=3 1458 B9R1.35 CC(=O)c1cn(nn1)C 274090a_200000210301_100000690481 [0,1,0,0,1,0|2,0,0]=4 1459 B9R1.35 CC(=O)c1cn(nn1)[13CH3] 274090a_200025704644_100000690481 [0,1,0,0,1,0|2,0,0]=4 1460 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,1,0,0,1,0|2,0,0]=4 1461 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,1,0,0,1,0|1,0,0]=3 1462 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [0,1,0,0,1,0|1,0,0]=3 1463 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,1,0,0,1,0|1,0,0]=3 1464 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [0,1,0,0,1,0|1,0,0]=3 1465 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,1,0,0,1,0|1,0,1]=4 1466 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,1,0,0,1,0|2,0,0]=4 1467 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,1,0,0,1,0|2,0,0]=4 1468 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,1,0,0,1,0|2,0,0]=4 1469 B9R1.35 NC(=O)c1coc(n1)O 271570a_203496583355_100009981048 [0,1,0,0,1,0|2,0,0]=4 1470 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,1,0,0,1,0|2,0,0]=4 1471 B9R1.35 NC(=O)c1csc(n1)O 271570a_203496583355_100010247141 [0,1,0,0,1,0|2,0,0]=4 1472 B9R1.41 C=C(C)c1ccsc1C 271570a_100000694244_100000684487 [0,1,0,0,1,0|2,0,0]=4 1473 B9R1.41 C=C(C)c1cscc1Br 271570a_100000694244_100010143727 [0,1,0,0,1,0|2,0,0]=4 1474 B9R1.41 C=C(C)c1cscc1C 271570a_100000694244_100000759966 [0,1,0,0,1,0|2,0,0]=4 1475 B9R1.41 C=C(C)c1n[nH]cc1Br 271570a_100000694244_100015839836 [0,1,0,0,1,0|2,0,0]=4 1476 B9R1.41 C=C(C)c1n[nH]cc1C 271570a_100000694244_100009871783 [0,1,0,0,1,0|2,0,0]=4 1477 B9R1.41 C=C(C)c1n[nH]cc1N 271570a_100000694244_100010894806 [0,1,0,0,1,0|2,0,0]=4 1478 B9R1.41 C=C(C)c1nc[nH]c1C 271570a_100000694244_100009816806 [0,1,0,0,1,0|2,0,0]=4 1479 B9R1.41 C=C(C)c1nccn1C 271570a_100000694244_100000707724 [0,1,0,0,1,0|2,0,0]=4 1480 B9R1.41 C=C(C)c1ncsc1C 271570a_100000694244_100000732656 [0,1,0,0,1,0|2,0,0]=4 1481 B9R1.41 C=C(C)c1sccc1Br 271570a_100000694244_100012361411 [0,1,0,0,1,0|2,0,0]=4 1482 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [0,1,0,0,1,0|2,0,0]=4 1483 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,1,0,0,1,0|1,0,0]=3 1484 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [0,1,0,0,1,0|2,0,0]=4 1485 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [0,1,0,0,1,0|2,0,0]=4 1486 B11R1.20 CC(=Cc1ccc(=O)[nH]n1)C 271570a_100102525489_100009820020 [0,1,0,0,0,1|2,0,0]=4 1487 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [0,1,0,0,0,1|2,0,0]=4 1488 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [0,1,0,0,0,1|2,0,0]=4 1489 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [0,1,0,0,0,1|2,0,0]=4 1490 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [0,1,0,0,0,1|2,0,0]=4 1491 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [0,1,0,0,0,1|2,0,0]=4 1492 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [0,1,0,0,0,1|2,0,0]=4 1493 B11R1.20 CC(=Cc1ccc(cn1)Br)C 271570a_100102525489_100000686858 [0,1,0,0,0,1|1,0,0]=3 1494 B11R1.20 CC(=Cc1ccc(cn1)C)C 271570a_100102525489_100000754016 [0,1,0,0,0,1|1,0,0]=3 1495 B11R1.20 CC(=Cc1ccc(cn1)Cl)C 271570a_100102525489_100011356976 [0,1,0,0,0,1|1,0,0]=3 1496 B11R1.20 CC(=Cc1ccc(cn1)F)C 271570a_100102525489_100000744514 [0,1,0,0,0,1|1,0,0]=3 1497 B11R1.20 CC(=Cc1ccc(cn1)N)C 271570a_100102525489_100000744251 [0,1,0,0,0,1|1,0,0]=3 1498 B11R1.20 CC(=Cc1ccc(cn1)O)C 271570a_100102525489_100000685995 [0,1,0,0,0,1|1,0,0]=3 1499 B11R1.20 CC(=Cc1ccc(nn1)C)C 271570a_100102525489_100011450037 [0,1,0,0,0,1|2,0,0]=4 1500 B11R1.20 CC(=Cc1ccc(nn1)N)C 271570a_100102525489_100009816609 [0,1,0,0,0,1|2,0,0]=4 1501 B11R1.20 CC(=Cc1cnc(cn1)C)C 271570a_100102525489_100011999403 [0,1,0,0,0,1|2,0,0]=4 1502 B11R1.20 CC(=Cc1cnc(cn1)F)C 271570a_100102525489_100009856528 [0,1,0,0,0,1|2,0,0]=4 1503 B11R1.20 CC(=Cc1cnc(cn1)N)C 271570a_100102525489_100000761932 [0,1,0,0,0,1|2,0,0]=4 1504 B11R1.20 CC(=Cc1ncc(cn1)Br)C 271570a_100102525489_100000690281 [0,1,0,0,0,1|2,0,0]=4 1505 B11R1.20 CC(=Cc1ncc(cn1)C)C 271570a_100102525489_100011825175 [0,1,0,0,0,1|2,0,0]=4 1506 B11R1.20 CC(=Cc1ncc(cn1)Cl)C 271570a_100102525489_100011356929 [0,1,0,0,0,1|2,0,0]=4 1507 B11R1.20 CC(=Cc1ncc(cn1)F)C 271570a_100102525489_100000685220 [0,1,0,0,0,1|2,0,0]=4 1508 B11R1.20 CC(=Cc1ncc(cn1)N)C 271570a_100102525489_100000068403 [0,1,0,0,0,1|2,0,0]=4 1509 B11R1.20 CC(=Cc1ncc(cn1)O)C 271570a_100102525489_100000730009 [0,1,0,0,0,1|2,0,0]=4 1510 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,1,0,0,0,1|1,0,0]=3 1511 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,1,0,0,0,1|1,0,0]=3 1512 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,1,0,0,0,1|1,0,0]=3 1513 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,1,0,0,0,1|1,0,0]=3 1514 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,1,0,0,0,1|1,0,0]=3 1515 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,1,0,0,0,1|1,0,0]=3 1516 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,1,0,0,0,1|1,0,0]=3 1517 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,1,0,0,0,1|1,0,0]=3 1518 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,1,0,0,0,1|1,0,0]=3 1519 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,1,0,0,0,1|1,0,0]=3 1520 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,1,0,0,0,1|1,0,0]=3 1521 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,1,0,0,0,1|1,0,0]=3 1522 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [0,1,0,0,0,1|0,0,0]=2 1523 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [0,1,0,0,0,1|0,0,0]=2 1524 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [0,1,0,0,0,1|0,0,0]=2 1525 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [0,1,0,0,0,1|0,0,0]=2 1526 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [0,1,0,0,0,1|0,0,0]=2 1527 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [0,1,0,0,0,1|0,0,0]=2 1528 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [0,1,0,0,0,1|0,0,0]=2 1529 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [0,1,0,0,0,1|2,0,0]=4 1530 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [0,1,0,0,0,1|2,0,0]=4 1531 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [0,1,0,0,0,1|2,0,0]=4 1532 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [0,1,0,0,0,1|2,0,0]=4 1533 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [0,1,0,0,0,1|2,0,0]=4 1534 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [0,1,0,0,0,1|2,0,0]=4 1535 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [0,1,0,0,0,1|2,0,0]=4 1536 B11R1.20 CC(=O)Cc1ccc(nn1)Cl 1458a_100000070787_100016992710 [0,1,0,0,0,1|1,0,0]=3 1537 B11R1.20 CC(=O)Cc1cnc(cn1)C 1458a_100000070787_100000752025 [0,1,0,0,0,1|1,0,0]=3 1538 B11R1.20 CC(=O)Cc1ncc(cn1)Br 1458a_100000070787_100010064664 [0,1,0,0,0,1|1,0,0]=3 1539 B11R1.20 CC(=O)Cc1ncc(cn1)C 1458a_100000070787_100000685645 [0,1,0,0,0,1|1,0,0]=3 1540 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [0,1,0,0,0,1|2,0,0]=4 1541 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,1,0,0,0,1|1,0,0]=3 1542 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,1,0,0,0,1|1,0,0]=3 1543 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,1,0,0,0,1|1,0,0]=3 1544 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,1,0,0,0,1|1,0,0]=3 1545 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,1,0,0,0,1|1,0,0]=3 1546 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,1,0,0,0,1|1,0,0]=3 1547 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,1,0,0,0,1|1,0,0]=3 1548 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,1,0,0,0,1|1,0,0]=3 1549 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,1,0,0,0,1|1,0,0]=3 1550 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,1,0,0,0,1|1,0,0]=3 1551 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,1,0,0,0,1|1,0,0]=3 1552 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,1,0,0,0,1|1,0,0]=3 1553 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,1,0,0,0,1|1,0,0]=3 1554 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,1,0,0,0,1|1,0,0]=3 1555 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,1,0,0,0,1|1,0,0]=3 1556 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,1,0,0,0,1|1,0,0]=3 1557 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,1,0,0,0,1|1,0,0]=3 1558 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,1,0,0,0,1|1,0,0]=3 1559 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,1,0,0,0,1|1,0,0]=3 1560 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,1,0,0,0,1|1,0,0]=3 1561 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,1,0,0,0,1|1,0,0]=3 1562 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,1,0,0,0,1|1,0,0]=3 1563 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [0,1,0,0,0,1|0,0,0]=2 1564 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [0,1,0,0,0,1|2,0,0]=4 1565 B11R1.20 CC(=O)Nc1ccc(nn1)O 271570a_203496583355_100011804224 [0,1,0,0,0,1|1,0,0]=3 1566 B11R1.20 CC(=O)Nc1ncc(cn1)O 271570a_203496583355_100010141023 [0,1,0,0,0,1|1,0,0]=3 1567 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,1,0,0,0,1|1,0,0]=3 1568 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,1,0,0,0,1|1,0,0]=3 1569 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [0,1,0,0,0,1|1,1,0]=4 1570 B11R1.20 CC(C)Nc1ccc(cn1)Br 27a_100138425928_100000686858 [0,1,0,0,0,1|1,0,1]=4 1571 B11R1.20 CC(C)Oc1ccc(cn1)Cl 34a_100011215309_100000210206 [0,1,0,0,0,1|1,0,1]=4 1572 B11R1.20 CC(C)Oc1ccc(cn1)F 34a_100000742473_100000210206 [0,1,0,0,0,1|1,0,1]=4 1573 B11R1.20 CC(C)Oc1ccc(cn1)N 34a_100000729260_100000210206 [0,1,0,0,0,1|1,0,1]=4 1574 B11R1.20 CC(C)Oc1ccc(cn1)O 271570a_203496583355_100000688564 [0,1,0,0,0,1|1,0,1]=4 1575 B11R1.20 CC(C)Sc1ccc(cn1)Br 62a_100000210206_100000686858 [0,1,0,0,0,1|1,0,1]=4 1576 B11R1.20 CC(C)Sc1ccc(cn1)Br 62a_100000686858_100000210206 [0,1,0,0,0,1|1,0,1]=4 1577 B11R1.20 CC(C)Sc1ccc(cn1)Cl 62a_100000210206_100011356976 [0,1,0,0,0,1|1,0,1]=4 1578 B11R1.20 CC(C)Sc1ccc(cn1)Cl 62a_100011356976_100000210206 [0,1,0,0,0,1|1,0,1]=4 1579 B11R1.20 CC(C)Sc1ccc(cn1)F 62a_100000210206_100000744514 [0,1,0,0,0,1|1,0,1]=4 1580 B11R1.20 CC(C)Sc1ccc(cn1)F 62a_100000744514_100000210206 [0,1,0,0,0,1|1,0,1]=4 1581 B11R1.20 CC(C)Sc1ccc(cn1)N 62a_100000210206_100000737798 [0,1,0,0,0,1|1,0,1]=4 1582 B11R1.20 CC(C)Sc1ccc(cn1)N 62a_100000737798_100000210206 [0,1,0,0,0,1|1,0,1]=4 1583 B11R1.20 CC(C)Sc1ccc(cn1)O 62a_100000210206_100000744096 [0,1,0,0,0,1|1,0,1]=4 1584 B11R1.20 CC(C)Sc1ccc(cn1)O 62a_100000685995_100000210206 [0,1,0,0,0,1|1,0,1]=4 1585 B11R1.20 CN(C)Cc1ccc(cn1)Br 2230a_100102631434_100000702658 [0,1,0,0,0,1|2,0,0]=4 1586 B11R1.20 CN(C)Cc1ccc(cn1)Br 269982a_100102631434_100000702658 [0,1,0,0,0,1|2,0,0]=4 1587 B11R1.20 CN(C)Cc1ccc(cn1)Br 270004a_100102631434_100000754260 [0,1,0,0,0,1|2,0,0]=4 1588 B11R1.20 CN(C)Cc1ccc(cn1)Cl 2230a_100102631434_100012066911 [0,1,0,0,0,1|2,0,0]=4 1589 B11R1.20 CN(C)Cc1ccc(cn1)Cl 269982a_100102631434_100000697101 [0,1,0,0,0,1|2,0,0]=4 1590 B11R1.20 CN(C)Cc1ccc(cn1)Cl 270004a_100102631434_100011361569 [0,1,0,0,0,1|2,0,0]=4 1591 B11R1.20 CN(C)Cc1ccc(cn1)F 2230a_100102631434_100000703193 [0,1,0,0,0,1|2,0,0]=4 1592 B11R1.20 CN(C)Cc1ccc(cn1)F 269982a_100102631434_100000703193 [0,1,0,0,0,1|2,0,0]=4 1593 B11R1.20 CN(C)Cc1ccc(cn1)F 270004a_100102631434_100011934744 [0,1,0,0,0,1|2,0,0]=4 1594 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,1,0,0,0,1|1,0,0]=3 1595 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [0,1,0,0,0,1|2,0,0]=4 1596 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [0,1,0,0,0,1|0,0,0]=2 1597 B11R1.20 Cc1ccc(nc1)CN(C)C 2230a_100102631434_100000691093 [0,1,0,0,0,1|2,0,0]=4 1598 B11R1.20 Cc1ccc(nc1)CN(C)C 2230a_200000717808_200000210301 [0,1,0,0,0,1|2,0,0]=4 1599 B11R1.20 Cc1ccc(nc1)CN(C)C 269982a_100102631434_100000691093 [0,1,0,0,0,1|2,0,0]=4 1600 B11R1.20 Cc1ccc(nc1)CN(C)C 269982a_200000717808_200000210301 [0,1,0,0,0,1|2,0,0]=4 1601 B11R1.20 Cc1ccc(nc1)CN(C)C 270004a_100102631434_100000050478 [0,1,0,0,0,1|2,0,0]=4 1602 B11R1.20 Cc1ccc(nc1)CN(C)[13CH3] 2230a_200000717808_200025704644 [0,1,0,0,0,1|2,0,0]=4 1603 B11R1.20 Cc1ccc(nc1)CN(C)[13CH3] 269982a_200000717808_200025704644 [0,1,0,0,0,1|2,0,0]=4 1604 B11R1.20 Cc1ccc(nc1)OC(C)C 34a_100000759353_100000210206 [0,1,0,0,0,1|1,0,1]=4 1605 B11R1.20 Cc1ccc(nc1)SC(C)C 62a_100000210206_100000754016 [0,1,0,0,0,1|1,0,1]=4 1606 B11R1.20 Cc1ccc(nc1)SC(C)C 62a_100011192072_100000210206 [0,1,0,0,0,1|1,0,1]=4 1607 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,1,0,0,0,1|2,0,0]=4 1608 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [0,1,0,0,0,1|1,0,0]=3 1609 B11R1.20 NC(=O)Cc1ccc(nn1)O 271570a_203496583355_100015841783 [0,1,0,0,0,1|2,0,0]=4 1610 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,1,0,0,0,1|2,0,0]=4 1611 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,1,0,0,0,1|1,0,0]=3 1612 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,1,0,0,0,1|1,0,0]=3 1613 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,1,0,0,0,1|1,0,0]=3 1614 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,1,0,0,0,1|1,0,0]=3 1615 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,1,0,0,0,1|1,0,0]=3 1616 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [0,1,0,0,0,1|0,0,0]=2 1617 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [0,1,0,0,0,1|0,0,0]=2 1618 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [0,1,0,0,0,1|2,0,0]=4 1619 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [0,1,0,0,0,1|2,0,0]=4 1620 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [0,1,0,0,0,1|2,0,0]=4 1621 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,1,0,0,0,1|1,0,0]=3 1622 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,1,0,0,0,1|1,0,0]=3 1623 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,1,0,0,0,1|2,0,0]=4 1624 B11R1.36 CC(=C(C)c1ccccn1)C 271570a_200000049429_100011216584 [0,1,0,0,0,1|1,0,0]=3 1625 B11R1.36 CC(=C(C)c1cccnn1)C 271570a_200000049429_100016991348 [0,1,0,0,0,1|2,0,0]=4 1626 B11R1.36 CC(=C(C)c1ccncn1)C 271570a_200000049429_100000703185 [0,1,0,0,0,1|2,0,0]=4 1627 B11R1.36 CC(=C(C)c1cnccn1)C 271570a_200000049429_100000758340 [0,1,0,0,0,1|2,0,0]=4 1628 B11R1.36 CC(=C(C)c1ncccn1)C 271570a_200000049429_100000211032 [0,1,0,0,0,1|2,0,0]=4 1629 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,1,0,0,0,1|1,0,0]=3 1630 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,1,0,0,0,1|0,0,0]=2 1631 B11R1.36 CC(=O)C(C)c1cnccn1 1458a_100000070787_200000703233 [0,1,0,0,0,1|1,0,0]=3 1632 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,1,0,0,0,1|1,0,0]=3 1633 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,1,0,0,0,1|1,0,0]=3 1634 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,1,0,0,0,1|1,0,0]=3 1635 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,1,0,0,0,1|1,0,0]=3 1636 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,1,0,0,0,1|1,0,0]=3 1637 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,1,0,0,0,1|1,0,0]=3 1638 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,1,0,0,0,1|0,0,0]=2 1639 B11R1.36 CC(c1ccccn1)N(C)C 2230a_100000231138_200000210301 [0,1,0,0,0,1|2,0,0]=4 1640 B11R1.36 CC(c1ccccn1)N(C)C 269982a_100000231138_200000210301 [0,1,0,0,0,1|2,0,0]=4 1641 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 2230a_100000231138_200025704644 [0,1,0,0,0,1|2,0,0]=4 1642 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 269982a_100000231138_200025704644 [0,1,0,0,0,1|2,0,0]=4 1643 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,1,0,0,0,1|1,0,0]=3 1644 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,1,0,0,0,1|1,0,0]=3 1645 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,1,0,0,0,1|1,0,0]=3 1646 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,1,0,0,0,1|1,0,1]=4 1647 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [0,1,0,0,0,1|0,0,1]=3 1648 B11R1.40 C#CC(=O)Cc1cccnn1 1458a_100000211873_100016990269 [0,1,0,0,0,1|1,0,1]=4 1649 B11R1.40 C#CC(=O)Cc1cnccn1 1458a_100000211873_100016995436 [0,1,0,0,0,1|1,0,1]=4 1650 B11R1.40 C#CC(=O)Cc1ncccn1 1458a_100000211873_100000703007 [0,1,0,0,0,1|1,0,1]=4 1651 B11R1.40 C#CC(C)Sc1ccccn1 62a_200000035995_100011216584 [0,1,0,0,0,1|1,0,1]=4 1652 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,1,0,0,0,1|1,0,1]=4 1653 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,1,0,0,0,1|0,0,1]=3 1654 B11R1.40 C=CC(=O)Cc1cccnn1 1458a_100000185746_100016990269 [0,1,0,0,0,1|1,0,1]=4 1655 B11R1.40 C=CC(=O)Cc1cnccn1 1458a_100000185746_100016995436 [0,1,0,0,0,1|1,0,1]=4 1656 B11R1.40 C=CC(=O)Cc1ncccn1 1458a_100000185746_100000703007 [0,1,0,0,0,1|1,0,1]=4 1657 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,1,0,0,0,1|1,0,1]=4 1658 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,1,0,0,0,1|1,0,1]=4 1659 B11R1.40 C=CC(C)Sc1ccccn1 62a_100011215867_100011216584 [0,1,0,0,0,1|1,0,1]=4 1660 B11R1.40 CC(C#N)Sc1ccccn1 62a_100000703298_100011216584 [0,1,0,0,0,1|1,0,1]=4 1661 B11R1.40 CC(C#N)Sc1ccccn1 62a_100011216584_100000703298 [0,1,0,0,0,1|1,0,1]=4 1662 B11R1.40 CC(CO)Sc1ccccn1 62a_100012180447_100011216584 [0,1,0,0,0,1|0,0,2]=4 1663 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [0,1,0,0,0,1|1,0,1]=4 1664 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [0,1,0,0,0,1|2,0,0]=4 1665 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,1,0,0,0,1|1,0,0]=3 1666 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,1,0,0,0,1|0,0,0]=2 1667 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,1,0,0,0,1|0,0,0]=2 1668 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,1,0,0,0,1|2,0,0]=4 1669 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,1,0,0,0,1|2,0,0]=4 1670 B11R1.40 CCC(=O)Cc1cccnn1 1458a_100000210414_100016990269 [0,1,0,0,0,1|1,0,0]=3 1671 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,1,0,0,0,1|2,0,0]=4 1672 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,1,0,0,0,1|1,0,0]=3 1673 B11R1.40 CCC(=O)Cc1ncccn1 1458a_100000210414_100000703007 [0,1,0,0,0,1|1,0,0]=3 1674 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,1,0,0,0,1|1,0,0]=3 1675 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,1,0,0,0,1|1,0,0]=3 1676 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,1,0,0,0,1|1,0,0]=3 1677 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,1,0,0,0,1|1,0,0]=3 1678 B11R1.40 CCC(C)Sc1ccccn1 62a_100000758301_100011216584 [0,1,0,0,0,1|1,0,1]=4 1679 B11R1.40 CCC(C)Sc1ccccn1 62a_100011216584_100000758301 [0,1,0,0,0,1|1,0,1]=4 1680 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [0,1,0,0,0,1|2,0,0]=4 1681 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [0,1,0,0,0,1|2,0,0]=4 1682 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [0,1,0,0,0,1|2,0,0]=4 1683 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [0,1,0,0,0,1|2,0,0]=4 1684 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [0,1,0,0,0,1|2,0,0]=4 1685 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [0,1,0,0,0,1|2,0,0]=4 1686 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [0,1,0,0,0,1|2,0,0]=4 1687 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [0,1,0,0,0,1|2,0,0]=4 1688 B11R1.40 CN(CF)Cc1ccccn1 269982a_100000207498_100015361967 [0,1,0,0,0,1|2,0,0]=4 1689 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [0,1,0,0,0,1|2,0,0]=4 1690 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [0,1,0,0,0,1|2,0,0]=4 1691 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [0,1,0,0,0,1|2,0,0]=4 1692 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,1,0,0,0,1|0,0,0]=2 1693 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,1,0,0,0,1|2,0,0]=4 1694 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,1,0,0,0,1|2,0,0]=4 1695 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,1,0,0,0,1|2,0,0]=4 1696 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,1,0,0,0,1|2,0,0]=4 1697 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,1,0,0,0,1|2,0,0]=4 1698 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,1,0,0,0,1|1,0,0]=3 1699 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,1,0,0,0,1|1,0,0]=3 1700 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,1,0,0,0,1|1,0,0]=3 1701 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,1,0,0,0,1|1,0,0]=3 1702 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [0,1,0,0,0,1|1,0,1]=4 1703 B11R1.40 COC(C)Sc1ccccn1 62a_100009879195_100011216584 [0,1,0,0,0,1|0,0,2]=4 1704 B11R1.40 COC(C)Sc1ccccn1 62a_100011216584_100009879195 [0,1,0,0,0,1|0,0,2]=4 1705 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100011216584_100016084084 [0,1,0,0,0,1|0,0,2]=4 1706 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100016084084_100011216584 [0,1,0,0,0,1|0,0,2]=4 1707 B11R1.40 O=C(CF)C[n+]1ccccc1 1458a_200000086051_100015361967 [0,1,0,0,0,1|2,0,0]=4 1708 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,1,0,0,0,1|0,0,0]=2 1709 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [0,1,0,0,0,1|2,0,0]=4 1710 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,1,0,0,0,1|1,0,0]=3 1711 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,1,0,0,0,1|0,0,0]=2 1712 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,1,0,0,0,1|2,0,0]=4 1713 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [0,1,0,0,0,1|1,0,0]=3 1714 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [0,1,0,0,0,1|2,0,0]=4 1715 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,1,0,0,0,1|1,0,0]=3 1716 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [0,1,0,0,0,1|1,0,0]=3 1717 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,1,0,0,0,1|1,0,0]=3 1718 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,1,0,0,0,1|1,0,0]=3 1719 B11R1.86 CC(=Cc1cccc[n+]1C)C 271570a_100102525489_100000212160 [0,1,0,0,0,1|1,0,1]=4 1720 B11R1.86 CC(=Cc1cccc[n+]1[O-])C 271570a_100102525489_200000042595 [0,1,0,0,0,1|1,0,1]=4 1721 B11R1.86 CC(=Cc1ccccc1Br)C 271570a_100102525489_100000695589 [0,1,0,0,0,1|2,0,0]=4 1722 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [0,1,0,0,0,1|2,0,0]=4 1723 B11R1.86 CC(=Cc1ccccc1Cl)C 271570a_100102525489_100000764095 [0,1,0,0,0,1|2,0,0]=4 1724 B11R1.86 CC(=Cc1ccccc1F)C 271570a_100102525489_100011215700 [0,1,0,0,0,1|2,0,0]=4 1725 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [0,1,0,0,0,1|2,0,0]=4 1726 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [0,1,0,0,0,1|2,0,0]=4 1727 B11R1.86 CC(=Cc1ncc[nH]c1=O)C 271570a_100102525489_100000763361 [0,1,0,0,0,1|2,0,0]=4 1728 B11R1.86 CC(=Cc1ncccc1Br)C 271570a_100102525489_100000696092 [0,1,0,0,0,1|1,0,0]=3 1729 B11R1.86 CC(=Cc1ncccc1C)C 271570a_100102525489_100000751373 [0,1,0,0,0,1|1,0,0]=3 1730 B11R1.86 CC(=Cc1ncccc1Cl)C 271570a_100102525489_100011356963 [0,1,0,0,0,1|1,0,0]=3 1731 B11R1.86 CC(=Cc1ncccc1F)C 271570a_100102525489_100000685392 [0,1,0,0,0,1|1,0,0]=3 1732 B11R1.86 CC(=Cc1ncccc1N)C 271570a_100102525489_100000688686 [0,1,0,0,0,1|1,0,0]=3 1733 B11R1.86 CC(=Cc1ncccc1O)C 271570a_100102525489_100000034122 [0,1,0,0,0,1|1,0,0]=3 1734 B11R1.86 CC(=Cc1nccnc1C)C 271570a_100102525489_100011999405 [0,1,0,0,0,1|2,0,0]=4 1735 B11R1.86 CC(=Cc1nccnc1F)C 271570a_100102525489_200010125657 [0,1,0,0,0,1|2,0,0]=4 1736 B11R1.86 CC(=Cc1nccnc1N)C 271570a_100102525489_100000747729 [0,1,0,0,0,1|2,0,0]=4 1737 B11R1.86 CC(=Cc1ncncc1C)C 271570a_100102525489_100011998708 [0,1,0,0,0,1|2,0,0]=4 1738 B11R1.86 CC(=Cc1ncncc1F)C 271570a_100102525489_100000069762 [0,1,0,0,0,1|2,0,0]=4 1739 B11R1.86 CC(=Cc1ncncc1N)C 271570a_100102525489_100000709731 [0,1,0,0,0,1|2,0,0]=4 1740 B11R1.86 CC(=Cc1nnccc1C)C 271570a_100102525489_100000089043 [0,1,0,0,0,1|2,0,0]=4 1741 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,1,0,0,0,1|1,0,0]=3 1742 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,1,0,0,0,1|1,0,0]=3 1743 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,1,0,0,0,1|1,0,0]=3 1744 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,1,0,0,0,1|1,0,0]=3 1745 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,1,0,0,0,1|1,0,0]=3 1746 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,1,0,0,0,1|1,0,0]=3 1747 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,1,0,0,0,1|1,0,0]=3 1748 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,1,0,0,0,1|1,0,0]=3 1749 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,1,0,0,0,1|1,0,0]=3 1750 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,1,0,0,0,1|1,0,0]=3 1751 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,1,0,0,0,1|1,0,0]=3 1752 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,1,0,0,0,1|1,0,0]=3 1753 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [0,1,0,0,0,1|2,0,0]=4 1754 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [0,1,0,0,0,1|2,0,0]=4 1755 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [0,1,0,0,0,1|2,0,0]=4 1756 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [0,1,0,0,0,1|2,0,0]=4 1757 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [0,1,0,0,0,1|2,0,0]=4 1758 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [0,1,0,0,0,1|2,0,0]=4 1759 B11R1.86 CC(=O)Cc1ccncc1Cl 1458a_100000070787_100000763264 [0,1,0,0,0,1|2,0,0]=4 1760 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [0,1,0,0,0,1|2,0,0]=4 1761 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [0,1,0,0,0,1|0,0,0]=2 1762 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [0,1,0,0,0,1|0,0,0]=2 1763 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [0,1,0,0,0,1|0,0,0]=2 1764 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [0,1,0,0,0,1|0,0,0]=2 1765 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [0,1,0,0,0,1|0,0,0]=2 1766 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [0,1,0,0,0,1|0,0,0]=2 1767 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [0,1,0,0,0,1|0,0,0]=2 1768 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,1,0,0,0,1|0,0,0]=2 1769 B11R1.86 CC(=O)Cn1ccccc1=O 1458a_100000189665_200000210301 [0,1,0,0,0,1|2,0,0]=4 1770 B11R1.86 CC(=O)Cn1ncccc1=O 1458a_100000238584_200000210301 [0,1,0,0,0,1|1,0,0]=3 1771 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,1,0,0,0,1|1,0,0]=3 1772 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,1,0,0,0,1|1,0,0]=3 1773 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,1,0,0,0,1|1,0,0]=3 1774 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,1,0,0,0,1|1,0,0]=3 1775 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,1,0,0,0,1|1,0,0]=3 1776 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,1,0,0,0,1|1,0,0]=3 1777 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,1,0,0,0,1|1,0,0]=3 1778 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,1,0,0,0,1|1,0,0]=3 1779 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,1,0,0,0,1|1,0,0]=3 1780 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,1,0,0,0,1|1,0,0]=3 1781 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,1,0,0,0,1|1,0,0]=3 1782 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,1,0,0,0,1|1,0,0]=3 1783 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,1,0,0,0,1|1,0,0]=3 1784 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,1,0,0,0,1|1,0,0]=3 1785 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,1,0,0,0,1|1,0,0]=3 1786 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,1,0,0,0,1|1,0,0]=3 1787 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,1,0,0,0,1|1,0,0]=3 1788 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,1,0,0,0,1|1,0,0]=3 1789 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,1,0,0,0,1|1,0,0]=3 1790 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [0,1,0,0,0,1|2,0,0]=4 1791 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,1,0,0,0,1|1,0,0]=3 1792 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [0,1,0,0,0,1|2,0,0]=4 1793 B11R1.86 CC(C)Nc1ncccc1Br 27a_100138425928_100000696092 [0,1,0,0,0,1|1,0,1]=4 1794 B11R1.86 CC(C)Oc1ncccc1Cl 34a_100011290957_100000210206 [0,1,0,0,0,1|1,0,1]=4 1795 B11R1.86 CC(C)Oc1ncccc1F 34a_100011219419_100000210206 [0,1,0,0,0,1|1,0,1]=4 1796 B11R1.86 CC(C)Oc1ncccc1N 34a_100000746358_100000210206 [0,1,0,0,0,1|1,0,1]=4 1797 B11R1.86 CC(C)Oc1ncccc1O 271570a_203496583355_200011465186 [0,1,0,0,0,1|1,0,1]=4 1798 B11R1.86 CC(C)Sc1ncccc1Br 62a_100000210206_100000696092 [0,1,0,0,0,1|1,0,1]=4 1799 B11R1.86 CC(C)Sc1ncccc1Br 62a_100000696092_100000210206 [0,1,0,0,0,1|1,0,1]=4 1800 B11R1.86 CC(C)Sc1ncccc1Cl 62a_100000210206_100011356963 [0,1,0,0,0,1|1,0,1]=4 1801 B11R1.86 CC(C)Sc1ncccc1Cl 62a_100011356963_100000210206 [0,1,0,0,0,1|1,0,1]=4 1802 B11R1.86 CC(C)Sc1ncccc1F 62a_100000210206_100000685392 [0,1,0,0,0,1|1,0,1]=4 1803 B11R1.86 CC(C)Sc1ncccc1F 62a_100000685392_100000210206 [0,1,0,0,0,1|1,0,1]=4 1804 B11R1.86 CC(C)Sc1ncccc1N 62a_100000210206_100000688686 [0,1,0,0,0,1|1,0,1]=4 1805 B11R1.86 CC(C)Sc1ncccc1N 62a_100000688686_100000210206 [0,1,0,0,0,1|1,0,1]=4 1806 B11R1.86 CC(C)Sc1ncccc1O 62a_100000034122_100000210206 [0,1,0,0,0,1|1,0,1]=4 1807 B11R1.86 CC(C)Sc1ncccc1O 62a_100000210206_100000034122 [0,1,0,0,0,1|1,0,1]=4 1808 B11R1.86 CN(C)Cc1ncccc1Br 2230a_100102631434_100025702911 [0,1,0,0,0,1|2,0,0]=4 1809 B11R1.86 CN(C)Cc1ncccc1Br 270004a_100102631434_100011934733 [0,1,0,0,0,1|2,0,0]=4 1810 B11R1.86 CN(C)Cc1ncccc1Cl 2230a_100102631434_100000099807 [0,1,0,0,0,1|2,0,0]=4 1811 B11R1.86 CN(C)Cc1ncccc1Cl 269982a_100102631434_100000099807 [0,1,0,0,0,1|2,0,0]=4 1812 B11R1.86 CN(C)Cc1ncccc1Cl 270004a_100102631434_100012001307 [0,1,0,0,0,1|2,0,0]=4 1813 B11R1.86 CN(C)Cc1ncccc1F 2230a_100102631434_100000104219 [0,1,0,0,0,1|2,0,0]=4 1814 B11R1.86 CN(C)Cc1ncccc1F 269982a_100102631434_100000104219 [0,1,0,0,0,1|2,0,0]=4 1815 B11R1.86 CN(C)Cc1ncccc1F 270004a_100102631434_100011934734 [0,1,0,0,0,1|2,0,0]=4 1816 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,1,0,0,0,1|1,0,0]=3 1817 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [0,1,0,0,0,1|0,0,0]=2 1818 B11R1.86 Cc1cccnc1CN(C)C 2230a_100102631434_100000696600 [0,1,0,0,0,1|2,0,0]=4 1819 B11R1.86 Cc1cccnc1CN(C)C 269982a_100102631434_100000696600 [0,1,0,0,0,1|2,0,0]=4 1820 B11R1.86 Cc1cccnc1CN(C)C 270004a_100102631434_100000698913 [0,1,0,0,0,1|2,0,0]=4 1821 B11R1.86 Cc1cccnc1SC(C)C 62a_100000210206_100000751373 [0,1,0,0,0,1|1,0,1]=4 1822 B11R1.86 Cc1cccnc1SC(C)C 62a_100000751373_100000210206 [0,1,0,0,0,1|1,0,1]=4 1823 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [0,1,0,0,0,1|2,0,0]=4 1824 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [0,1,0,0,0,1|2,0,0]=4 1825 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,1,0,0,0,1|1,0,0]=3 1826 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,1,0,0,0,1|1,0,0]=3 1827 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,1,0,0,0,1|1,0,0]=3 1828 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,1,0,0,0,1|1,0,0]=3 1829 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,1,0,0,0,1|1,0,0]=3 1830 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [0,1,0,0,0,1|2,0,0]=4 1831 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [0,1,0,0,0,1|0,0,0]=2 1832 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [0,1,0,0,0,1|0,0,0]=2 1833 B11R1.86 [13CH3]C(=O)Cn1ccccc1=O 1458a_100000189665_200025704644 [0,1,0,0,0,1|2,0,0]=4 1834 B11R1.86 [13CH3]C(=O)Cn1ncccc1=O 1458a_100000238584_200025704644 [0,1,0,0,0,1|1,0,0]=3 1835 B11R1.157 CC(=Cc1c[n+](ccn1)[O-])C 271570a_100102525489_100009880115 [0,1,0,0,0,1|2,0,0]=4 1836 B11R1.157 CC(=Cc1cc(ccn1)C)C 271570a_100102525489_100000750283 [0,1,0,0,0,1|1,0,0]=3 1837 B11R1.157 CC(=Cc1cc(ccn1)Cl)C 271570a_100102525489_100010167805 [0,1,0,0,0,1|1,0,0]=3 1838 B11R1.157 CC(=Cc1cc(ccn1)F)C 271570a_100102525489_100009817058 [0,1,0,0,0,1|1,0,0]=3 1839 B11R1.157 CC(=Cc1cc(ccn1)N)C 271570a_100102525489_100009814236 [0,1,0,0,0,1|1,0,0]=3 1840 B11R1.157 CC(=Cc1cc(ccn1)O)C 271570a_100102525489_100000762945 [0,1,0,0,0,1|1,0,0]=3 1841 B11R1.157 CC(=Cc1cc(cnn1)C)C 271570a_100102525489_100000070100 [0,1,0,0,0,1|2,0,0]=4 1842 B11R1.157 CC(=Cc1cc(cnn1)O)C 271570a_100102525489_200010734679 [0,1,0,0,0,1|2,0,0]=4 1843 B11R1.157 CC(=Cc1cc(ncn1)C)C 271570a_100102525489_100000744208 [0,1,0,0,0,1|2,0,0]=4 1844 B11R1.157 CC(=Cc1cc(ncn1)F)C 271570a_100102525489_200009880791 [0,1,0,0,0,1|2,0,0]=4 1845 B11R1.157 CC(=Cc1cc(ncn1)N)C 271570a_100102525489_100000701291 [0,1,0,0,0,1|2,0,0]=4 1846 B11R1.157 CC(=Cc1cc(ncn1)O)C 271570a_100102525489_100000765262 [0,1,0,0,0,1|2,0,0]=4 1847 B11R1.157 CC(=Cc1cc[nH]c(=O)n1)C 271570a_100102525489_200000134032 [0,1,0,0,0,1|2,0,0]=4 1848 B11R1.157 CC(=Cc1cccc(=O)[nH]1)C 271570a_100102525489_100000761760 [0,1,0,0,0,1|1,0,1]=4 1849 B11R1.157 CC(=Cc1cccc(c1)Br)C 271570a_100102525489_100000691529 [0,1,0,0,0,1|2,0,0]=4 1850 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [0,1,0,0,0,1|2,0,0]=4 1851 B11R1.157 CC(=Cc1cccc(c1)Cl)C 271570a_100102525489_100000699651 [0,1,0,0,0,1|2,0,0]=4 1852 B11R1.157 CC(=Cc1cccc(c1)F)C 271570a_100102525489_100000685547 [0,1,0,0,0,1|2,0,0]=4 1853 B11R1.157 CC(=Cc1cccc(c1)N)C 271570a_100102525489_100000210019 [0,1,0,0,0,1|2,0,0]=4 1854 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [0,1,0,0,0,1|2,0,0]=4 1855 B11R1.157 CC(=Cc1cccc(c1)[S])C 271570a_100102525489_114929384022 [0,1,0,0,0,1|2,0,0]=4 1856 B11R1.157 CC(=Cc1cccc(n1)Br)C 271570a_100102525489_100000684672 [0,1,0,0,0,1|1,0,0]=3 1857 B11R1.157 CC(=Cc1cccc(n1)C)C 271570a_100102525489_100000742759 [0,1,0,0,0,1|1,0,0]=3 1858 B11R1.157 CC(=Cc1cccc(n1)F)C 271570a_100102525489_100009815982 [0,1,0,0,0,1|1,0,0]=3 1859 B11R1.157 CC(=Cc1cccc(n1)N)C 271570a_100102525489_100000740741 [0,1,0,0,0,1|1,0,0]=3 1860 B11R1.157 CC(=Cc1ccnc(n1)C)C 271570a_100102525489_100000749937 [0,1,0,0,0,1|2,0,0]=4 1861 B11R1.157 CC(=Cc1ccnc(n1)N)C 271570a_100102525489_100009820717 [0,1,0,0,0,1|2,0,0]=4 1862 B11R1.157 CC(=Cc1cncc(n1)C)C 271570a_100102525489_100009842155 [0,1,0,0,0,1|2,0,0]=4 1863 B11R1.157 CC(=Cc1cncc(n1)F)C 271570a_100102525489_200009863489 [0,1,0,0,0,1|2,0,0]=4 1864 B11R1.157 CC(=Cc1cncc(n1)N)C 271570a_100102525489_100009819714 [0,1,0,0,0,1|2,0,0]=4 1865 B11R1.157 CC(=Cc1cncc(n1)O)C 271570a_100102525489_100011269956 [0,1,0,0,0,1|2,0,0]=4 1866 B11R1.157 CC(=Cc1nccc(n1)C)C 271570a_100102525489_100011243806 [0,1,0,0,0,1|2,0,0]=4 1867 B11R1.157 CC(=Cc1nccc(n1)N)C 271570a_100102525489_100000757536 [0,1,0,0,0,1|2,0,0]=4 1868 B11R1.157 CC(=Cc1nccc(n1)O)C 271570a_100102525489_100011649813 [0,1,0,0,0,1|2,0,0]=4 1869 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [0,1,0,0,0,1|0,0,0]=2 1870 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [0,1,0,0,0,1|0,0,0]=2 1871 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [0,1,0,0,0,1|0,0,0]=2 1872 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,1,0,0,0,1|1,0,0]=3 1873 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,1,0,0,0,1|1,0,0]=3 1874 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,1,0,0,0,1|1,0,0]=3 1875 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,1,0,0,0,1|1,0,0]=3 1876 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,1,0,0,0,1|1,0,0]=3 1877 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,1,0,0,0,1|1,0,0]=3 1878 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,1,0,0,0,1|1,0,0]=3 1879 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,1,0,0,0,1|1,0,0]=3 1880 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,1,0,0,0,1|1,0,0]=3 1881 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,1,0,0,0,1|1,0,0]=3 1882 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,1,0,0,0,1|1,0,0]=3 1883 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,1,0,0,0,1|1,0,0]=3 1884 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,1,0,0,0,1|1,0,0]=3 1885 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [0,1,0,0,0,1|0,0,0]=2 1886 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [0,1,0,0,0,1|0,0,0]=2 1887 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [0,1,0,0,0,1|0,0,0]=2 1888 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [0,1,0,0,0,1|0,0,0]=2 1889 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [0,1,0,0,0,1|0,0,0]=2 1890 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [0,1,0,0,0,1|0,0,0]=2 1891 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [0,1,0,0,0,1|0,0,0]=2 1892 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [0,1,0,0,0,1|0,0,0]=2 1893 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100000070787_100010243470 [0,1,0,0,0,1|2,0,0]=4 1894 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_200000210301 [0,1,0,0,0,1|2,0,0]=4 1895 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [0,1,0,0,0,1|2,0,0]=4 1896 B11R1.157 CC(=O)Cc1ccnc(c1)Cl 1458a_100000070787_100000764220 [0,1,0,0,0,1|2,0,0]=4 1897 B11R1.157 CC(=O)Cc1ccnc(n1)Cl 1458a_100000070787_100000099655 [0,1,0,0,0,1|1,0,0]=3 1898 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [0,1,0,0,0,1|2,0,0]=4 1899 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [0,1,0,0,0,1|2,0,0]=4 1900 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [0,1,0,0,0,1|2,0,0]=4 1901 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [0,1,0,0,0,1|2,0,0]=4 1902 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [0,1,0,0,0,1|2,0,0]=4 1903 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [0,1,0,0,0,1|2,0,0]=4 1904 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [0,1,0,0,0,1|0,0,0]=2 1905 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [0,1,0,0,0,1|1,0,0]=3 1906 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [0,1,0,0,0,1|1,0,0]=3 1907 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [0,1,0,0,0,1|1,0,0]=3 1908 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [0,1,0,0,0,1|1,0,0]=3 1909 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,1,0,0,0,1|1,0,0]=3 1910 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,1,0,0,0,1|1,0,0]=3 1911 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,1,0,0,0,1|1,0,0]=3 1912 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,1,0,0,0,1|1,0,0]=3 1913 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,1,0,0,0,1|1,0,0]=3 1914 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,1,0,0,0,1|1,0,0]=3 1915 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,1,0,0,0,1|1,0,0]=3 1916 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [0,1,0,0,0,1|1,0,0]=3 1917 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [0,1,0,0,0,1|1,0,0]=3 1918 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [0,1,0,0,0,1|1,0,0]=3 1919 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [0,1,0,0,0,1|1,0,0]=3 1920 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [0,1,0,0,0,1|1,0,0]=3 1921 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [0,1,0,0,0,1|1,0,0]=3 1922 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [0,1,0,0,0,1|1,0,0]=3 1923 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [0,1,0,0,0,1|1,0,0]=3 1924 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,1,0,0,0,1|1,0,0]=3 1925 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,1,0,0,0,1|1,0,0]=3 1926 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,1,0,0,0,1|1,0,0]=3 1927 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,1,0,0,0,1|1,0,0]=3 1928 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [0,1,0,0,0,1|0,0,0]=2 1929 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [0,1,0,0,0,1|2,0,0]=4 1930 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [0,1,0,0,0,1|2,0,0]=4 1931 B11R1.157 CC(=O)Nc1cncc(n1)O 271570a_203496583355_100000703374 [0,1,0,0,0,1|1,0,0]=3 1932 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,1,0,0,0,1|1,0,0]=3 1933 B11R1.157 CC(C)Nc1cc(ccn1)F 27a_100138425928_100000764206 [0,1,0,0,0,1|1,0,1]=4 1934 B11R1.157 CC(C)Nc1cc(ccn1)O 271570a_203496583355_200012354261 [0,1,0,0,0,1|1,0,1]=4 1935 B11R1.157 CC(C)Nc1cccc(n1)F 27a_100138425928_100009815982 [0,1,0,0,0,1|1,0,1]=4 1936 B11R1.157 CC(C)Oc1cc(ccn1)O 271570a_203496583355_100010247003 [0,1,0,0,0,1|1,0,1]=4 1937 B11R1.157 CC(C)Oc1cccc(n1)F 34a_100011432558_100000210206 [0,1,0,0,0,1|1,0,1]=4 1938 B11R1.157 CC(C)Oc1cccc(n1)O 271570a_203496583355_100000703025 [0,1,0,0,0,1|1,0,1]=4 1939 B11R1.157 CC(C)Sc1cc(ccn1)Cl 62a_100000210206_100010167805 [0,1,0,0,0,1|1,0,1]=4 1940 B11R1.157 CC(C)Sc1cc(ccn1)Cl 62a_100010167805_100000210206 [0,1,0,0,0,1|1,0,1]=4 1941 B11R1.157 CC(C)Sc1cc(ccn1)F 62a_100000210206_100000764206 [0,1,0,0,0,1|1,0,1]=4 1942 B11R1.157 CC(C)Sc1cc(ccn1)F 62a_100000764206_100000210206 [0,1,0,0,0,1|1,0,1]=4 1943 B11R1.157 CC(C)Sc1cc(ccn1)N 62a_100000210206_100009814236 [0,1,0,0,0,1|1,0,1]=4 1944 B11R1.157 CC(C)Sc1cc(ccn1)N 62a_100009814236_100000210206 [0,1,0,0,0,1|1,0,1]=4 1945 B11R1.157 CC(C)Sc1cc(ccn1)O 62a_100000210206_100000762945 [0,1,0,0,0,1|1,0,1]=4 1946 B11R1.157 CC(C)Sc1cccc(n1)Br 62a_100000210206_100000684672 [0,1,0,0,0,1|1,0,1]=4 1947 B11R1.157 CC(C)Sc1cccc(n1)Br 62a_100000684672_100000210206 [0,1,0,0,0,1|1,0,1]=4 1948 B11R1.157 CC(C)Sc1cccc(n1)Cl 62a_100000051397_100000210206 [0,1,0,0,0,1|1,0,1]=4 1949 B11R1.157 CC(C)Sc1cccc(n1)Cl 62a_100000210206_100000051397 [0,1,0,0,0,1|1,0,1]=4 1950 B11R1.157 CC(C)Sc1cccc(n1)F 62a_100000210206_100009815982 [0,1,0,0,0,1|1,0,1]=4 1951 B11R1.157 CC(C)Sc1cccc(n1)F 62a_100009815982_100000210206 [0,1,0,0,0,1|1,0,1]=4 1952 B11R1.157 CC(C)Sc1cccc(n1)N 62a_100000210206_100000740741 [0,1,0,0,0,1|1,0,1]=4 1953 B11R1.157 CC(C)Sc1cccc(n1)N 62a_100000740741_100000210206 [0,1,0,0,0,1|1,0,1]=4 1954 B11R1.157 CN(C)Cc1cc(ccn1)Br 2230a_100102631434_100010173614 [0,1,0,0,0,1|2,0,0]=4 1955 B11R1.157 CN(C)Cc1cc(ccn1)Br 269982a_100102631434_100010173614 [0,1,0,0,0,1|2,0,0]=4 1956 B11R1.157 CN(C)Cc1cc(ccn1)Br 270004a_100102631434_100009818557 [0,1,0,0,0,1|2,0,0]=4 1957 B11R1.157 CN(C)Cc1cc(ccn1)Cl 2230a_100102631434_100016988179 [0,1,0,0,0,1|2,0,0]=4 1958 B11R1.157 CN(C)Cc1cc(ccn1)Cl 2230a_100102954512_200000210301 [0,1,0,0,0,1|2,0,0]=4 1959 B11R1.157 CN(C)Cc1cc(ccn1)Cl 269982a_100102631434_100016988179 [0,1,0,0,0,1|2,0,0]=4 1960 B11R1.157 CN(C)Cc1cc(ccn1)Cl 269982a_100102954512_200000210301 [0,1,0,0,0,1|2,0,0]=4 1961 B11R1.157 CN(C)Cc1cc(ccn1)Cl 270004a_100102631434_100011998288 [0,1,0,0,0,1|2,0,0]=4 1962 B11R1.157 CN(C)Cc1cccc(n1)Br 2230a_100102631434_100009889011 [0,1,0,0,0,1|2,0,0]=4 1963 B11R1.157 CN(C)Cc1cccc(n1)Br 2230a_106354212997_200000210301 [0,1,0,0,0,1|2,0,0]=4 1964 B11R1.157 CN(C)Cc1cccc(n1)Br 269982a_100102631434_100009889011 [0,1,0,0,0,1|2,0,0]=4 1965 B11R1.157 CN(C)Cc1cccc(n1)Br 269982a_106354212997_200000210301 [0,1,0,0,0,1|2,0,0]=4 1966 B11R1.157 CN(C)Cc1cccc(n1)Br 270004a_100102631434_100000688028 [0,1,0,0,0,1|2,0,0]=4 1967 B11R1.157 CN(C)Cc1cccc(n1)Cl 2230a_100102631434_100000086093 [0,1,0,0,0,1|2,0,0]=4 1968 B11R1.157 CN(C)Cc1cccc(n1)Cl 269982a_100102631434_100000086093 [0,1,0,0,0,1|2,0,0]=4 1969 B11R1.157 CN(C)Cc1cccc(n1)Cl 270004a_100102631434_100011361687 [0,1,0,0,0,1|2,0,0]=4 1970 B11R1.157 CN(C)Cc1cccc(n1)F 2230a_100102631434_100009819644 [0,1,0,0,0,1|2,0,0]=4 1971 B11R1.157 CN(C)Cc1cccc(n1)F 269982a_100102631434_100009819644 [0,1,0,0,0,1|2,0,0]=4 1972 B11R1.157 CN(C)Cc1cccc(n1)F 270004a_100102631434_100000050434 [0,1,0,0,0,1|2,0,0]=4 1973 B11R1.157 CN([13CH3])Cc1cc(ccn1)Cl 2230a_100102954512_200025704644 [0,1,0,0,0,1|2,0,0]=4 1974 B11R1.157 CN([13CH3])Cc1cc(ccn1)Cl 269982a_100102954512_200025704644 [0,1,0,0,0,1|2,0,0]=4 1975 B11R1.157 CN([13CH3])Cc1cccc(n1)Br 2230a_106354212997_200025704644 [0,1,0,0,0,1|2,0,0]=4 1976 B11R1.157 CN([13CH3])Cc1cccc(n1)Br 269982a_106354212997_200025704644 [0,1,0,0,0,1|2,0,0]=4 1977 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,1,0,0,0,1|1,0,0]=3 1978 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [0,1,0,0,0,1|0,0,0]=2 1979 B11R1.157 Cc1cccc(n1)CN(C)C 2230a_100000687132_200000210301 [0,1,0,0,0,1|2,0,0]=4 1980 B11R1.157 Cc1cccc(n1)CN(C)C 2230a_100102631434_100000757606 [0,1,0,0,0,1|2,0,0]=4 1981 B11R1.157 Cc1cccc(n1)CN(C)C 269982a_100000687132_200000210301 [0,1,0,0,0,1|2,0,0]=4 1982 B11R1.157 Cc1cccc(n1)CN(C)C 269982a_100102631434_100000757606 [0,1,0,0,0,1|2,0,0]=4 1983 B11R1.157 Cc1cccc(n1)CN(C)C 270004a_100102631434_100011215050 [0,1,0,0,0,1|2,0,0]=4 1984 B11R1.157 Cc1cccc(n1)CN(C)[13CH3] 2230a_100000687132_200025704644 [0,1,0,0,0,1|2,0,0]=4 1985 B11R1.157 Cc1cccc(n1)CN(C)[13CH3] 269982a_100000687132_200025704644 [0,1,0,0,0,1|2,0,0]=4 1986 B11R1.157 Cc1cccc(n1)SC(C)C 62a_100000210206_100000742759 [0,1,0,0,0,1|1,0,1]=4 1987 B11R1.157 Cc1cccc(n1)SC(C)C 62a_100000742759_100000210206 [0,1,0,0,0,1|1,0,1]=4 1988 B11R1.157 Cc1ccnc(c1)CN(C)C 2230a_100102631434_100000718516 [0,1,0,0,0,1|2,0,0]=4 1989 B11R1.157 Cc1ccnc(c1)CN(C)C 2230a_106354213154_200000210301 [0,1,0,0,0,1|2,0,0]=4 1990 B11R1.157 Cc1ccnc(c1)CN(C)C 269982a_100102631434_100000718516 [0,1,0,0,0,1|2,0,0]=4 1991 B11R1.157 Cc1ccnc(c1)CN(C)C 269982a_106354213154_200000210301 [0,1,0,0,0,1|2,0,0]=4 1992 B11R1.157 Cc1ccnc(c1)CN(C)C 270004a_100102631434_100011361488 [0,1,0,0,0,1|2,0,0]=4 1993 B11R1.157 Cc1ccnc(c1)CN(C)[13CH3] 2230a_106354213154_200025704644 [0,1,0,0,0,1|2,0,0]=4 1994 B11R1.157 Cc1ccnc(c1)CN(C)[13CH3] 269982a_106354213154_200025704644 [0,1,0,0,0,1|2,0,0]=4 1995 B11R1.157 Cc1ccnc(c1)SC(C)C 62a_100000210206_100000750283 [0,1,0,0,0,1|1,0,1]=4 1996 B11R1.157 Cc1ccnc(c1)SC(C)C 62a_100000750283_100000210206 [0,1,0,0,0,1|1,0,1]=4 1997 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [0,1,0,0,0,1|2,0,0]=4 1998 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [0,1,0,0,0,1|2,0,0]=4 1999 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,1,0,0,0,1|1,0,0]=3 2000 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,1,0,0,0,1|1,0,0]=3 2001 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,1,0,0,0,1|1,0,0]=3 2002 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,1,0,0,0,1|1,0,0]=3 2003 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,1,0,0,0,1|1,0,0]=3 2004 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [0,1,0,0,0,1|0,0,0]=2 2005 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [0,1,0,0,0,1|0,0,0]=2 2006 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [0,1,0,0,0,1|0,0,0]=2 2007 B11R1.157 [13CH3]C(=O)Cc1ccnc(c1)Br 1458a_100010126891_200025704644 [0,1,0,0,0,1|2,0,0]=4 2008 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [0,1,0,0,0,1|2,0,0]=4 2009 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [0,1,0,0,0,1|2,0,0]=4 2010 B11R1.509 CC(C)(C)Sc1ccccn1 62a_100000211941_100011216584 [0,1,0,0,0,1|1,0,1]=4 2011 B11R1.509 CC(C)(C)Sc1ccccn1 62a_100011216584_100000211941 [0,1,0,0,0,1|1,0,1]=4 2012 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [0,2,0,0,0,0|1,0,0]=3 2013 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [0,2,0,0,0,0|1,0,0]=3 2014 B11R1.3 C=C(C)c1ccc(cc1)C#N 271570a_100000694244_100000179745 [0,2,0,0,0,0|2,0,0]=4 2015 B11R1.3 C=C(C)c1ccc(cc1)C=O 271570a_100000694244_100000186029 [0,2,0,0,0,0|2,0,0]=4 2016 B11R1.3 C=C(C)c1ccc(cc1)CC 271570a_100000694244_100011215824 [0,2,0,0,0,0|2,0,0]=4 2017 B11R1.3 C=C(C)c1ccc(cc1)CF 271570a_100000694244_100010268989 [0,2,0,0,0,0|2,0,0]=4 2018 B11R1.3 C=C(C)c1ccc(cc1)CN 271570a_100000694244_100016989417 [0,2,0,0,0,0|2,0,0]=4 2019 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [0,2,0,0,0,0|2,0,0]=4 2020 B11R1.3 C=C(C)c1ccc(cc1)NC 271570a_100000694244_100000219623 [0,2,0,0,0,0|2,0,0]=4 2021 B11R1.3 C=C(C)c1ccc(cc1)NN 271570a_100000694244_100016988836 [0,2,0,0,0,0|2,0,0]=4 2022 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [0,2,0,0,0,0|2,0,0]=4 2023 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [0,2,0,0,0,0|2,0,0]=4 2024 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [0,2,0,0,0,0|2,0,0]=4 2025 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [0,2,0,0,0,0|2,0,0]=4 2026 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [0,2,0,0,0,0|2,0,0]=4 2027 B11R1.3 C=C(C)c1ccc(cc1)SC 271570a_100000694244_100011263217 [0,2,0,0,0,0|2,0,0]=4 2028 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_100000185454_200000210301 [0,2,0,0,0,0|2,0,0]=4 2029 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_200000210301_100000185454 [0,2,0,0,0,0|2,0,0]=4 2030 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_100000185454_200025704644 [0,2,0,0,0,0|2,0,0]=4 2031 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185454 [0,2,0,0,0,0|2,0,0]=4 2032 B11R1.3 C=C(C)c1ccc(cn1)C#N 271570a_100000694244_100000241038 [0,2,0,0,0,0|1,0,0]=3 2033 B11R1.3 C=C(C)c1ccc(cn1)C=O 271570a_100000694244_100000766901 [0,2,0,0,0,0|1,0,0]=3 2034 B11R1.3 C=C(C)c1ccc(cn1)CC 271570a_100000694244_100009843584 [0,2,0,0,0,0|1,0,0]=3 2035 B11R1.3 C=C(C)c1ccc(cn1)CN 271570a_100000694244_100009817727 [0,2,0,0,0,0|1,0,0]=3 2036 B11R1.3 C=C(C)c1ccc(cn1)CO 271570a_100000694244_100009816760 [0,2,0,0,0,0|1,0,0]=3 2037 B11R1.3 C=C(C)c1ccc(cn1)NC 271570a_100000694244_100000764248 [0,2,0,0,0,0|1,0,0]=3 2038 B11R1.3 C=C(C)c1ccc(cn1)NN 271570a_100000694244_100000119030 [0,2,0,0,0,0|1,0,0]=3 2039 B11R1.3 C=C(C)c1ccc(cn1)OC 271570a_100000694244_100000755202 [0,2,0,0,0,0|1,0,0]=3 2040 B11R1.3 C=C(C)c1ccc(cn1)SC 271570a_100000694244_100009820866 [0,2,0,0,0,0|1,0,0]=3 2041 B11R1.3 C=C(C)c1ccc(nn1)C#N 271570a_100000694244_100000094388 [0,2,0,0,0,0|2,0,0]=4 2042 B11R1.3 C=C(C)c1ccc(nn1)C=O 271570a_100000694244_100000044651 [0,2,0,0,0,0|2,0,0]=4 2043 B11R1.3 C=C(C)c1ccc(nn1)NC 271570a_100000694244_100000215272 [0,2,0,0,0,0|2,0,0]=4 2044 B11R1.3 C=C(C)c1ccc(nn1)NN 271570a_100000694244_100000182438 [0,2,0,0,0,0|2,0,0]=4 2045 B11R1.3 C=C(C)c1ccc(nn1)OC 271570a_100000694244_100009819040 [0,2,0,0,0,0|2,0,0]=4 2046 B11R1.3 C=C(C)c1cnc(cn1)C#N 271570a_100000694244_100000059812 [0,2,0,0,0,0|2,0,0]=4 2047 B11R1.3 C=C(C)c1cnc(cn1)C=O 271570a_100000694244_100012001714 [0,2,0,0,0,0|2,0,0]=4 2048 B11R1.3 C=C(C)c1cnc(cn1)CO 271570a_100000694244_100012002382 [0,2,0,0,0,0|2,0,0]=4 2049 B11R1.3 C=C(C)c1cnc(cn1)NC 271570a_100000694244_100012000640 [0,2,0,0,0,0|2,0,0]=4 2050 B11R1.3 C=C(C)c1cnc(cn1)NN 271570a_100000694244_100000121042 [0,2,0,0,0,0|2,0,0]=4 2051 B11R1.3 C=C(C)c1cnc(cn1)OC 271570a_100000694244_100011998698 [0,2,0,0,0,0|2,0,0]=4 2052 B11R1.3 C=C(C)c1cnc(cn1)SC 271570a_100000694244_200012356277 [0,2,0,0,0,0|2,0,0]=4 2053 B11R1.3 C=C(C)c1ncc(cn1)C#N 271570a_100000694244_100000099682 [0,2,0,0,0,0|2,0,0]=4 2054 B11R1.3 C=C(C)c1ncc(cn1)C=O 271570a_100000694244_100000070856 [0,2,0,0,0,0|2,0,0]=4 2055 B11R1.3 C=C(C)c1ncc(cn1)CC 271570a_100000694244_100000033099 [0,2,0,0,0,0|2,0,0]=4 2056 B11R1.3 C=C(C)c1ncc(cn1)CO 271570a_100000694244_100009855073 [0,2,0,0,0,0|2,0,0]=4 2057 B11R1.3 C=C(C)c1ncc(cn1)OC 271570a_100000694244_100000069167 [0,2,0,0,0,0|2,0,0]=4 2058 B11R1.3 C=C(C)c1ncc(cn1)SC 271570a_100000694244_100000718988 [0,2,0,0,0,0|2,0,0]=4 2059 B11R1.3 C=Cc1ccc(cc1)C(=C)C 271570a_100011290941_100000185454 [0,2,0,0,0,0|2,0,0]=4 2060 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [0,2,0,0,0,0|1,0,0]=3 2061 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [0,2,0,0,0,0|1,0,0]=3 2062 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [0,2,0,0,0,0|2,0,0]=4 2063 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [0,2,0,0,0,0|1,0,0]=3 2064 B11R1.3 C=Cc1ccc(cc1)S(=O)C 271570a_100011290941_100009816266 [0,2,0,0,0,0|2,0,0]=4 2065 B11R1.3 C=Cc1ccc(cn1)C(=O)C 271570a_100011290941_100000684857 [0,2,0,0,0,0|2,0,0]=4 2066 B11R1.3 C=Cc1ccc(nc1)C(=O)C 271570a_100011290941_100000686046 [0,2,0,0,0,0|0,0,0]=2 2067 B11R1.3 C=Cc1ccc(nc1)C(=O)N 271570a_100011290941_100011219284 [0,2,0,0,0,0|1,0,0]=3 2068 B11R1.3 C=Cc1ccc(nc1)C(C)C 271570a_100011290941_100010255768 [0,2,0,0,0,0|1,0,1]=4 2069 B11R1.3 C=Cc1ccc(nc1)C(C)N 271570a_100011290941_100000723930 [0,2,0,0,0,0|1,0,1]=4 2070 B11R1.3 C=Cc1ccc(nc1)C(C)O 271570a_100011290941_100012353650 [0,2,0,0,0,0|0,0,2]=4 2071 B11R1.3 C=Cc1ccc(nc1)N(C)C 271570a_100011290941_100011465347 [0,2,0,0,0,0|2,0,0]=4 2072 B11R1.3 C=Cc1ccc(nn1)C(=O)N 271570a_100011290941_100000761398 [0,2,0,0,0,0|2,0,0]=4 2073 B11R1.3 C=Cc1cnc(cn1)C(=O)C 271570a_100011290941_100009883172 [0,2,0,0,0,0|1,0,0]=3 2074 B11R1.3 C=Cc1cnc(cn1)C(=O)N 271570a_100011290941_100000738300 [0,2,0,0,0,0|2,0,0]=4 2075 B11R1.3 C=Cc1cnc(nc1)C(=O)C 271570a_100011290941_100010077182 [0,2,0,0,0,0|1,0,0]=3 2076 B11R1.3 C=Cc1cnc(nc1)C(=O)N 271570a_100011290941_100009996756 [0,2,0,0,0,0|2,0,0]=4 2077 B11R1.3 C=Cc1cnc(nc1)S(=O)C 271570a_100011290941_100010117237 [0,2,0,0,0,0|2,0,0]=4 2078 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [0,2,0,0,0,0|1,0,0]=3 2079 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [0,2,0,0,0,0|1,0,0]=3 2080 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [0,2,0,0,0,0|1,0,0]=3 2081 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [0,2,0,0,0,0|1,0,0]=3 2082 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [0,2,0,0,0,0|1,0,0]=3 2083 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [0,2,0,0,0,0|1,0,0]=3 2084 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [0,2,0,0,0,0|0,0,0]=2 2085 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [0,2,0,0,0,0|0,0,0]=2 2086 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [0,2,0,0,0,0|0,0,0]=2 2087 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [0,2,0,0,0,0|0,0,0]=2 2088 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [0,2,0,0,0,0|2,0,0]=4 2089 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [0,2,0,0,0,0|2,0,0]=4 2090 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_100009883172_200025704644 [0,2,0,0,0,0|1,0,0]=3 2091 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_200025704644_100009883172 [0,2,0,0,0,0|1,0,0]=3 2092 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_100010077182_200025704644 [0,2,0,0,0,0|1,0,0]=3 2093 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_100010077182 [0,2,0,0,0,0|1,0,0]=3 2094 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_100010255768_200025704644 [0,2,0,0,0,0|1,0,1]=4 2095 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_200025704644_100010255768 [0,2,0,0,0,0|1,0,1]=4 2096 B11R1.3 CC(N)c1ccc(cn1)S[13CH3] 62a_100000723930_200025704644 [0,2,0,0,0,0|1,0,1]=4 2097 B11R1.3 CC(N)c1ccc(cn1)S[13CH3] 62a_200025704644_100000723930 [0,2,0,0,0,0|1,0,1]=4 2098 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_100012353650_200025704644 [0,2,0,0,0,0|0,0,2]=4 2099 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_200025704644_100012353650 [0,2,0,0,0,0|0,0,2]=4 2100 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [0,2,0,0,0,0|1,0,0]=3 2101 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [0,2,0,0,0,0|1,0,0]=3 2102 B11R1.3 CN(C)c1ccc(cn1)C#N 27a_100102631434_100000241038 [0,2,0,0,0,0|2,0,0]=4 2103 B11R1.3 CN(C)c1ccc(cn1)S[13CH3] 62a_100011465347_200025704644 [0,2,0,0,0,0|2,0,0]=4 2104 B11R1.3 CN(C)c1ccc(cn1)S[13CH3] 62a_200025704644_100011465347 [0,2,0,0,0,0|2,0,0]=4 2105 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [0,2,0,0,0,0|2,0,0]=4 2106 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [0,2,0,0,0,0|2,0,0]=4 2107 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [0,2,0,0,0,0|2,0,0]=4 2108 B11R1.3 CNc1ccc(nn1)C(=O)N 27a_100102657272_100000761398 [0,2,0,0,0,0|2,0,0]=4 2109 B11R1.3 CNc1cnc(cn1)C(=O)C 27a_100102657272_100009883172 [0,2,0,0,0,0|1,0,0]=3 2110 B11R1.3 CNc1cnc(cn1)C(=O)N 27a_100102657272_100000738300 [0,2,0,0,0,0|2,0,0]=4 2111 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [0,2,0,0,0,0|1,0,0]=3 2112 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [0,2,0,0,0,0|1,0,0]=3 2113 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [0,2,0,0,0,0|1,0,0]=3 2114 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [0,2,0,0,0,0|2,0,0]=4 2115 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [0,2,0,0,0,0|2,0,0]=4 2116 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [0,2,0,0,0,0|1,0,0]=3 2117 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [0,2,0,0,0,0|2,0,0]=4 2118 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [0,2,0,0,0,0|2,0,0]=4 2119 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [0,2,0,0,0,0|0,0,0]=2 2120 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [0,2,0,0,0,0|0,0,0]=2 2121 B11R1.3 COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200000210301 [0,2,0,0,0,0|2,0,0]=4 2122 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [0,2,0,0,0,0|2,0,0]=4 2123 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [0,2,0,0,0,0|2,0,0]=4 2124 B11R1.3 CS(=O)c1ccc(cc1)S[13CH3] 62a_100009816266_200025704644 [0,2,0,0,0,0|2,0,0]=4 2125 B11R1.3 CS(=O)c1ncc(cn1)S[13CH3] 62a_100010117237_200025704644 [0,2,0,0,0,0|2,0,0]=4 2126 B11R1.3 CS(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_100010117237 [0,2,0,0,0,0|2,0,0]=4 2127 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [0,2,0,0,0,0|1,0,0]=3 2128 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [0,2,0,0,0,0|1,0,0]=3 2129 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [0,2,0,0,0,0|1,0,0]=3 2130 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [0,2,0,0,0,0|2,0,0]=4 2131 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [0,2,0,0,0,0|2,0,0]=4 2132 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [0,2,0,0,0,0|1,0,0]=3 2133 B11R1.3 CSc1ccc(cc1)S(=O)C 62a_100009816266_200000210301 [0,2,0,0,0,0|2,0,0]=4 2134 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [0,2,0,0,0,0|2,0,0]=4 2135 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [0,2,0,0,0,0|2,0,0]=4 2136 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [0,2,0,0,0,0|0,0,0]=2 2137 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [0,2,0,0,0,0|0,0,0]=2 2138 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_100011219284_200000210301 [0,2,0,0,0,0|1,0,0]=3 2139 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_200000210301_100011219284 [0,2,0,0,0,0|1,0,0]=3 2140 B11R1.3 CSc1ccc(nc1)C(C)C 62a_100010255768_200000210301 [0,2,0,0,0,0|1,0,1]=4 2141 B11R1.3 CSc1ccc(nc1)C(C)C 62a_200000210301_100010255768 [0,2,0,0,0,0|1,0,1]=4 2142 B11R1.3 CSc1ccc(nc1)C(C)N 62a_100000723930_200000210301 [0,2,0,0,0,0|1,0,1]=4 2143 B11R1.3 CSc1ccc(nc1)C(C)N 62a_200000210301_100000723930 [0,2,0,0,0,0|1,0,1]=4 2144 B11R1.3 CSc1ccc(nc1)C(C)O 62a_100012353650_200000210301 [0,2,0,0,0,0|0,0,2]=4 2145 B11R1.3 CSc1ccc(nc1)C(C)O 62a_200000210301_100012353650 [0,2,0,0,0,0|0,0,2]=4 2146 B11R1.3 CSc1ccc(nc1)N(C)C 27a_100102631434_100009820866 [0,2,0,0,0,0|2,0,0]=4 2147 B11R1.3 CSc1ccc(nc1)N(C)C 62a_100011465347_200000210301 [0,2,0,0,0,0|2,0,0]=4 2148 B11R1.3 CSc1ccc(nc1)N(C)C 62a_200000210301_100011465347 [0,2,0,0,0,0|2,0,0]=4 2149 B11R1.3 CSc1ccc(nn1)C(=O)N 62a_100000761398_200000210301 [0,2,0,0,0,0|2,0,0]=4 2150 B11R1.3 CSc1ccc(nn1)C(=O)N 62a_200000210301_100000761398 [0,2,0,0,0,0|2,0,0]=4 2151 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_100009883172_200000210301 [0,2,0,0,0,0|1,0,0]=3 2152 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_200000210301_100009883172 [0,2,0,0,0,0|1,0,0]=3 2153 B11R1.3 CSc1cnc(cn1)C(=O)N 62a_100000738300_200000210301 [0,2,0,0,0,0|2,0,0]=4 2154 B11R1.3 CSc1cnc(cn1)C(=O)N 62a_200000210301_100000738300 [0,2,0,0,0,0|2,0,0]=4 2155 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_100010077182_200000210301 [0,2,0,0,0,0|1,0,0]=3 2156 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_200000210301_100010077182 [0,2,0,0,0,0|1,0,0]=3 2157 B11R1.3 CSc1cnc(nc1)C(=O)N 62a_100009996756_200000210301 [0,2,0,0,0,0|2,0,0]=4 2158 B11R1.3 CSc1cnc(nc1)C(=O)N 62a_200000210301_100009996756 [0,2,0,0,0,0|2,0,0]=4 2159 B11R1.3 CSc1cnc(nc1)S(=O)C 62a_100010117237_200000210301 [0,2,0,0,0,0|2,0,0]=4 2160 B11R1.3 CSc1cnc(nc1)S(=O)C 62a_200000210301_100010117237 [0,2,0,0,0,0|2,0,0]=4 2161 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [0,2,0,0,0,0|1,0,0]=3 2162 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [0,2,0,0,0,0|1,0,0]=3 2163 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [0,2,0,0,0,0|2,0,0]=4 2164 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [0,2,0,0,0,0|2,0,0]=4 2165 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [0,2,0,0,0,0|2,0,0]=4 2166 B11R1.3 [13CH3]Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200025704644 [0,2,0,0,0,0|2,0,0]=4 2167 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [0,2,0,0,0,0|2,0,0]=4 2168 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [0,2,0,0,0,0|2,0,0]=4 2169 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_100011219284_200025704644 [0,2,0,0,0,0|1,0,0]=3 2170 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_200025704644_100011219284 [0,2,0,0,0,0|1,0,0]=3 2171 B11R1.3 [13CH3]Sc1ccc(nn1)C(=O)N 62a_100000761398_200025704644 [0,2,0,0,0,0|2,0,0]=4 2172 B11R1.3 [13CH3]Sc1ccc(nn1)C(=O)N 62a_200025704644_100000761398 [0,2,0,0,0,0|2,0,0]=4 2173 B11R1.3 [13CH3]Sc1cnc(cn1)C(=O)N 62a_100000738300_200025704644 [0,2,0,0,0,0|2,0,0]=4 2174 B11R1.3 [13CH3]Sc1cnc(cn1)C(=O)N 62a_200025704644_100000738300 [0,2,0,0,0,0|2,0,0]=4 2175 B11R1.3 [13CH3]Sc1cnc(nc1)C(=O)N 62a_100009996756_200025704644 [0,2,0,0,0,0|2,0,0]=4 2176 B11R1.3 [13CH3]Sc1cnc(nc1)C(=O)N 62a_200025704644_100009996756 [0,2,0,0,0,0|2,0,0]=4 2177 B11R1.19 CC(C)(C)c1ccc(cn1)O 271570a_203496583355_100010245212 [0,2,0,0,0,0|1,0,1]=4 2178 B11R1.19 CC(C)(O)c1ccc(cn1)O 271570a_203496583355_100010246419 [0,2,0,0,0,0|0,0,2]=4 2179 B11R1.19 CS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765142 [0,2,0,0,0,0|2,0,0]=4 2180 B11R1.19 CS(=O)(=O)c1ccc(cn1)O 271570a_203496583355_100009814649 [0,2,0,0,0,0|1,0,0]=3 2181 B11R1.19 CS(=O)(=O)c1ccc(nn1)O 271570a_203496583355_100000063871 [0,2,0,0,0,0|2,0,0]=4 2182 B11R1.19 CS(=O)(=O)c1cnc(cn1)O 271570a_203496583355_200010191202 [0,2,0,0,0,0|2,0,0]=4 2183 B11R1.19 CS(=O)(=O)c1ncc(cn1)O 271570a_203496583355_100009816535 [0,2,0,0,0,0|2,0,0]=4 2184 B11R1.19 C[Si](C)(C)c1ccc(cn1)O 271570a_203496583355_100010073730 [0,2,0,0,0,0|1,1,0]=4 2185 B11R1.19 NS(=O)(=O)c1ccc(cn1)O 271570a_203496583355_200000753255 [0,2,0,0,0,0|2,0,0]=4 2186 B11R1.21 C=C(C)c1c[nH]c(=O)c(n1)C 271570a_100000694244_100010363809 [0,2,0,0,0,0|2,0,0]=4 2187 B11R1.21 C=C(C)c1cc(=O)n(cn1)C 271570a_100000694244_100012179353 [0,2,0,0,0,0|2,0,0]=4 2188 B11R1.21 C=C(C)c1cc(c(=O)[nH]n1)C 271570a_100000694244_100012187101 [0,2,0,0,0,0|2,0,0]=4 2189 B11R1.21 C=C(C)c1cc(c(=O)[nH]n1)N 271570a_100000694244_100000102183 [0,2,0,0,0,0|2,0,0]=4 2190 B11R1.21 C=C(C)c1cc(c(cn1)Br)C 271570a_100000694244_100012356354 [0,2,0,0,0,0|1,0,0]=3 2191 B11R1.21 C=C(C)c1cc(c(cn1)C)C 271570a_100000694244_100009850809 [0,2,0,0,0,0|1,0,0]=3 2192 B11R1.21 C=C(C)c1cc(c(cn1)C)F 271570a_100000694244_100009841206 [0,2,0,0,0,0|1,0,0]=3 2193 B11R1.21 C=C(C)c1cc(c(cn1)C)N 271570a_100000694244_100000690170 [0,2,0,0,0,0|1,0,0]=3 2194 B11R1.21 C=C(C)c1cc(c(cn1)C)O 271570a_100000694244_100000704368 [0,2,0,0,0,0|1,0,0]=3 2195 B11R1.21 C=C(C)c1cc(c(cn1)F)C 271570a_100000694244_100009818257 [0,2,0,0,0,0|1,0,0]=3 2196 B11R1.21 C=C(C)c1cc(c(cn1)F)N 271570a_100000694244_100000126464 [0,2,0,0,0,0|1,0,0]=3 2197 B11R1.21 C=C(C)c1cc(c(cn1)F)O 271570a_100000694244_100009854642 [0,2,0,0,0,0|1,0,0]=3 2198 B11R1.21 C=C(C)c1cc(c(cn1)N)C 271570a_100000694244_100000765520 [0,2,0,0,0,0|1,0,0]=3 2199 B11R1.21 C=C(C)c1cc(c(cn1)N)N 271570a_100000694244_100000067514 [0,2,0,0,0,0|1,0,0]=3 2200 B11R1.21 C=C(C)c1cc(c(cn1)O)C 271570a_100000694244_100000692680 [0,2,0,0,0,0|1,0,0]=3 2201 B11R1.21 C=C(C)c1cc(c(cn1)O)N 271570a_100000694244_100009819941 [0,2,0,0,0,0|1,0,0]=3 2202 B11R1.21 C=C(C)c1cc(c(nn1)N)C 271570a_100000694244_100153394926 [0,2,0,0,0,0|2,0,0]=4 2203 B11R1.21 C=C(C)c1ccc(=O)n(n1)C 271570a_100000694244_100009820752 [0,2,0,0,0,0|2,0,0]=4 2204 B11R1.21 C=C(C)c1ccc(c(=S)[nH]1)N 271570a_100000694244_100116329207 [0,2,0,0,0,0|1,0,1]=4 2205 B11R1.21 C=C(C)c1ccc(c(c1)Br)Br 271570a_100000694244_100012356285 [0,2,0,0,0,0|2,0,0]=4 2206 B11R1.21 C=C(C)c1ccc(c(c1)Br)C 271570a_100000694244_100011847877 [0,2,0,0,0,0|2,0,0]=4 2207 B11R1.21 C=C(C)c1ccc(c(c1)Br)Cl 271570a_100000694244_100012353702 [0,2,0,0,0,0|2,0,0]=4 2208 B11R1.21 C=C(C)c1ccc(c(c1)Br)F 271570a_100000694244_100012047266 [0,2,0,0,0,0|2,0,0]=4 2209 B11R1.21 C=C(C)c1ccc(c(c1)Br)N 271570a_100000694244_100000750455 [0,2,0,0,0,0|2,0,0]=4 2210 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [0,2,0,0,0,0|2,0,0]=4 2211 B11R1.21 C=C(C)c1ccc(c(c1)C)Br 271570a_100000694244_100009813585 [0,2,0,0,0,0|2,0,0]=4 2212 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [0,2,0,0,0,0|2,0,0]=4 2213 B11R1.21 C=C(C)c1ccc(c(c1)C)Cl 271570a_100000694244_100000049509 [0,2,0,0,0,0|2,0,0]=4 2214 B11R1.21 C=C(C)c1ccc(c(c1)C)F 271570a_100000694244_100011218330 [0,2,0,0,0,0|2,0,0]=4 2215 B11R1.21 C=C(C)c1ccc(c(c1)C)N 271570a_100000694244_100000211769 [0,2,0,0,0,0|2,0,0]=4 2216 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [0,2,0,0,0,0|2,0,0]=4 2217 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Br 271570a_100000694244_100012047281 [0,2,0,0,0,0|2,0,0]=4 2218 B11R1.21 C=C(C)c1ccc(c(c1)Cl)C 271570a_100000694244_100011216363 [0,2,0,0,0,0|2,0,0]=4 2219 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Cl 271570a_100000694244_100011214914 [0,2,0,0,0,0|2,0,0]=4 2220 B11R1.21 C=C(C)c1ccc(c(c1)Cl)F 271570a_100000694244_100011215976 [0,2,0,0,0,0|2,0,0]=4 2221 B11R1.21 C=C(C)c1ccc(c(c1)Cl)N 271570a_100000694244_100011218065 [0,2,0,0,0,0|2,0,0]=4 2222 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [0,2,0,0,0,0|2,0,0]=4 2223 B11R1.21 C=C(C)c1ccc(c(c1)F)Br 271570a_100000694244_100000685389 [0,2,0,0,0,0|2,0,0]=4 2224 B11R1.21 C=C(C)c1ccc(c(c1)F)C 271570a_100000694244_100000720648 [0,2,0,0,0,0|2,0,0]=4 2225 B11R1.21 C=C(C)c1ccc(c(c1)F)Cl 271570a_100000694244_100011216805 [0,2,0,0,0,0|2,0,0]=4 2226 B11R1.21 C=C(C)c1ccc(c(c1)F)F 271570a_100000694244_100000750028 [0,2,0,0,0,0|2,0,0]=4 2227 B11R1.21 C=C(C)c1ccc(c(c1)F)N 271570a_100000694244_100011215594 [0,2,0,0,0,0|2,0,0]=4 2228 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [0,2,0,0,0,0|2,0,0]=4 2229 B11R1.21 C=C(C)c1ccc(c(c1)N)Br 271570a_100000694244_100000750456 [0,2,0,0,0,0|2,0,0]=4 2230 B11R1.21 C=C(C)c1ccc(c(c1)N)C 271570a_100000694244_100000761890 [0,2,0,0,0,0|2,0,0]=4 2231 B11R1.21 C=C(C)c1ccc(c(c1)N)Cl 271570a_100000694244_200000761891 [0,2,0,0,0,0|2,0,0]=4 2232 B11R1.21 C=C(C)c1ccc(c(c1)N)F 271570a_100000694244_100000740924 [0,2,0,0,0,0|2,0,0]=4 2233 B11R1.21 C=C(C)c1ccc(c(c1)N)N 271570a_100000694244_100000741789 [0,2,0,0,0,0|2,0,0]=4 2234 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [0,2,0,0,0,0|2,0,0]=4 2235 B11R1.21 C=C(C)c1ccc(c(c1)O)Br 271570a_100000694244_100012356990 [0,2,0,0,0,0|2,0,0]=4 2236 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [0,2,0,0,0,0|2,0,0]=4 2237 B11R1.21 C=C(C)c1ccc(c(c1)O)Cl 271570a_100000694244_100011356854 [0,2,0,0,0,0|2,0,0]=4 2238 B11R1.21 C=C(C)c1ccc(c(c1)O)F 271570a_100000694244_100000686035 [0,2,0,0,0,0|2,0,0]=4 2239 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [0,2,0,0,0,0|2,0,0]=4 2240 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [0,2,0,0,0,0|2,0,0]=4 2241 B11R1.21 C=C(C)c1ccc(c(n1)Br)O 271570a_100000694244_100000725334 [0,2,0,0,0,0|1,0,0]=3 2242 B11R1.21 C=C(C)c1ccc(c(n1)C)Br 271570a_100000694244_100012360386 [0,2,0,0,0,0|1,0,0]=3 2243 B11R1.21 C=C(C)c1ccc(c(n1)C)C 271570a_100000694244_100000103781 [0,2,0,0,0,0|1,0,0]=3 2244 B11R1.21 C=C(C)c1ccc(c(n1)C)F 271570a_100000694244_100009814307 [0,2,0,0,0,0|1,0,0]=3 2245 B11R1.21 C=C(C)c1ccc(c(n1)C)N 271570a_100000694244_100000760127 [0,2,0,0,0,0|1,0,0]=3 2246 B11R1.21 C=C(C)c1ccc(c(n1)C)O 271570a_100000694244_100010233687 [0,2,0,0,0,0|1,0,0]=3 2247 B11R1.21 C=C(C)c1ccc(c(n1)Cl)N 271570a_100000694244_200010233646 [0,2,0,0,0,0|1,0,0]=3 2248 B11R1.21 C=C(C)c1ccc(c(n1)Cl)O 271570a_100000694244_100000721234 [0,2,0,0,0,0|1,0,0]=3 2249 B11R1.21 C=C(C)c1ccc(c(n1)F)Br 271570a_100000694244_100010134343 [0,2,0,0,0,0|1,0,0]=3 2250 B11R1.21 C=C(C)c1ccc(c(n1)F)N 271570a_100000694244_100009856439 [0,2,0,0,0,0|1,0,0]=3 2251 B11R1.21 C=C(C)c1ccc(c(n1)F)O 271570a_100000694244_100009819667 [0,2,0,0,0,0|1,0,0]=3 2252 B11R1.21 C=C(C)c1ccc(c(n1)N)C 271570a_100000694244_100009857032 [0,2,0,0,0,0|1,0,0]=3 2253 B11R1.21 C=C(C)c1ccc(c(n1)N)F 271570a_100000694244_100016091773 [0,2,0,0,0,0|1,0,0]=3 2254 B11R1.21 C=C(C)c1ccc(c(n1)N)N 271570a_100000694244_100000747239 [0,2,0,0,0,0|1,0,0]=3 2255 B11R1.21 C=C(C)c1ccc(c(n1)N)O 271570a_100000694244_100000685527 [0,2,0,0,0,0|1,0,0]=3 2256 B11R1.21 C=C(C)c1ccc(c(n1)O)F 271570a_100000694244_100010729010 [0,2,0,0,0,0|1,0,0]=3 2257 B11R1.21 C=C(C)c1ccc(c(n1)O)N 271570a_100000694244_100000718904 [0,2,0,0,0,0|1,0,0]=3 2258 B11R1.21 C=C(C)c1cn(c(=O)cn1)C 271570a_100000694244_100009843036 [0,2,0,0,0,0|2,0,0]=4 2259 B11R1.21 C=C(C)c1cnc(c(n1)Br)N 271570a_100000694244_100010982571 [0,2,0,0,0,0|2,0,0]=4 2260 B11R1.21 C=C(C)c1cnc(c(n1)C)C 271570a_100000694244_100009878948 [0,2,0,0,0,0|2,0,0]=4 2261 B11R1.21 C=C(C)c1cnc(c(n1)C)N 271570a_100000694244_100009818571 [0,2,0,0,0,0|2,0,0]=4 2262 B11R1.21 C=C(C)c1cnc(c(n1)Cl)N 271570a_100000694244_100010733632 [0,2,0,0,0,0|2,0,0]=4 2263 B11R1.21 C=C(C)c1cnc(c(n1)N)N 271570a_100000694244_100009816827 [0,2,0,0,0,0|2,0,0]=4 2264 B11R1.21 C=C(C)c1ncc(c(n1)C)Cl 271570a_100000694244_100010174973 [0,2,0,0,0,0|2,0,0]=4 2265 B11R1.21 C=C(C)c1ncc(c(n1)C)F 271570a_100000694244_100015641512 [0,2,0,0,0,0|2,0,0]=4 2266 B11R1.21 C=C(C)c1ncc(c(n1)C)N 271570a_100000694244_100000123670 [0,2,0,0,0,0|2,0,0]=4 2267 B11R1.21 C=C(C)c1ncc(c(n1)N)C 271570a_100000694244_100011996698 [0,2,0,0,0,0|2,0,0]=4 2268 B11R1.21 C=C(C)c1ncc(c(n1)N)F 271570a_100000694244_100000185498 [0,2,0,0,0,0|2,0,0]=4 2269 B11R1.21 C=C(C)c1ncc(c(n1)N)N 271570a_100000694244_100011933915 [0,2,0,0,0,0|2,0,0]=4 2270 B11R1.21 C=C(C)c1ncc(c(n1)O)F 271570a_100000694244_100011995740 [0,2,0,0,0,0|2,0,0]=4 2271 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [0,2,0,0,0,0|0,0,0]=2 2272 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [0,2,0,0,0,0|1,0,0]=3 2273 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [0,2,0,0,0,0|1,0,0]=3 2274 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [0,2,0,0,0,0|1,0,0]=3 2275 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [0,2,0,0,0,0|1,0,0]=3 2276 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [0,2,0,0,0,0|1,0,0]=3 2277 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [0,2,0,0,0,0|1,0,0]=3 2278 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [0,2,0,0,0,0|1,0,0]=3 2279 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [0,2,0,0,0,0|1,0,0]=3 2280 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [0,2,0,0,0,0|1,0,0]=3 2281 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [0,2,0,0,0,0|1,0,0]=3 2282 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [0,2,0,0,0,0|1,0,0]=3 2283 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [0,2,0,0,0,0|1,0,0]=3 2284 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [0,2,0,0,0,0|1,0,0]=3 2285 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [0,2,0,0,0,0|1,0,0]=3 2286 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [0,2,0,0,0,0|1,0,0]=3 2287 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [0,2,0,0,0,0|1,0,0]=3 2288 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [0,2,0,0,0,0|1,0,0]=3 2289 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [0,2,0,0,0,0|1,0,0]=3 2290 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [0,2,0,0,0,0|1,0,0]=3 2291 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [0,2,0,0,0,0|1,0,0]=3 2292 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [0,2,0,0,0,0|1,0,0]=3 2293 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [0,2,0,0,0,0|1,0,0]=3 2294 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [0,2,0,0,0,0|1,0,0]=3 2295 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [0,2,0,0,0,0|1,0,0]=3 2296 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [0,2,0,0,0,0|1,0,0]=3 2297 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [0,2,0,0,0,0|1,0,0]=3 2298 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [0,2,0,0,0,0|1,0,0]=3 2299 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [0,2,0,0,0,0|1,0,0]=3 2300 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [0,2,0,0,0,0|1,0,0]=3 2301 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [0,2,0,0,0,0|1,0,0]=3 2302 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [0,2,0,0,0,0|1,0,0]=3 2303 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [0,2,0,0,0,0|1,0,0]=3 2304 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [0,2,0,0,0,0|1,0,0]=3 2305 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [0,2,0,0,0,0|1,0,0]=3 2306 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [0,2,0,0,0,0|1,0,0]=3 2307 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [0,2,0,0,0,0|1,0,0]=3 2308 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [0,2,0,0,0,0|1,0,0]=3 2309 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [0,2,0,0,0,0|1,0,0]=3 2310 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [0,2,0,0,0,0|1,0,0]=3 2311 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [0,2,0,0,0,0|1,0,0]=3 2312 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [0,2,0,0,0,0|1,0,0]=3 2313 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [0,2,0,0,0,0|1,0,0]=3 2314 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [0,2,0,0,0,0|1,0,0]=3 2315 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [0,2,0,0,0,0|1,0,0]=3 2316 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [0,2,0,0,0,0|1,0,0]=3 2317 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [0,2,0,0,0,0|2,0,0]=4 2318 B11R1.21 CC(=O)c1cnc(c(c1)O)F 271570a_203496583355_200010135287 [0,2,0,0,0,0|2,0,0]=4 2319 B11R1.21 CN(C)c1ccc(c(n1)F)Br 27a_100102631434_100010134343 [0,2,0,0,0,0|2,0,0]=4 2320 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [0,2,0,0,0,0|1,0,0]=3 2321 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [0,2,0,0,0,0|1,0,0]=3 2322 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [0,2,0,0,0,0|1,0,0]=3 2323 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [0,2,0,0,0,0|1,0,0]=3 2324 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [0,2,0,0,0,0|2,0,0]=4 2325 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [0,2,0,0,0,0|1,0,0]=3 2326 B11R1.21 Cc1cc(ncc1O)C(C)C 271570a_203496583355_100021475462 [0,2,0,0,0,0|1,0,1]=4 2327 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [0,2,0,0,0,0|1,0,0]=3 2328 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [0,2,0,0,0,0|1,0,0]=3 2329 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [0,2,0,0,0,0|1,0,0]=3 2330 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [0,2,0,0,0,0|1,0,0]=3 2331 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [0,2,0,0,0,0|1,0,0]=3 2332 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [0,2,0,0,0,0|2,0,0]=4 2333 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [0,2,0,0,0,0|1,0,0]=3 2334 B11R1.21 Cc1cnc(cc1F)N(C)C 27a_100102631434_100009841206 [0,2,0,0,0,0|2,0,0]=4 2335 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [0,2,0,0,0,0|2,0,0]=4 2336 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [0,2,0,0,0,0|2,0,0]=4 2337 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [0,2,0,0,0,0|2,0,0]=4 2338 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [0,2,0,0,0,0|2,0,0]=4 2339 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [0,2,0,0,0,0|1,0,0]=3 2340 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [0,2,0,0,0,0|1,0,0]=3 2341 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [0,2,0,0,0,0|1,0,0]=3 2342 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [0,2,0,0,0,0|1,0,0]=3 2343 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [0,2,0,0,0,0|1,0,0]=3 2344 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [0,2,0,0,0,0|1,0,0]=3 2345 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [0,2,0,0,0,0|1,0,0]=3 2346 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [0,2,0,0,0,0|1,0,0]=3 2347 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [0,2,0,0,0,0|1,0,0]=3 2348 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [0,2,0,0,0,0|1,0,0]=3 2349 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [0,2,0,0,0,0|1,0,0]=3 2350 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [0,2,0,0,0,0|1,0,0]=3 2351 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [0,2,0,0,0,0|1,0,0]=3 2352 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [0,2,0,0,0,0|1,0,0]=3 2353 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [0,2,0,0,0,0|1,0,0]=3 2354 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [0,2,0,0,0,0|1,0,0]=3 2355 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [0,2,0,0,0,0|1,0,0]=3 2356 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [0,2,0,0,0,0|1,0,0]=3 2357 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [0,2,0,0,0,0|1,0,0]=3 2358 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [0,2,0,0,0,0|1,0,0]=3 2359 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [0,2,0,0,0,0|1,0,0]=3 2360 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [0,2,0,0,0,0|1,0,0]=3 2361 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [0,2,0,0,0,0|1,0,0]=3 2362 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [0,2,0,0,0,0|1,0,0]=3 2363 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [0,2,0,0,0,0|1,0,0]=3 2364 B11R1.22 CC(N[13CH3])c1ccc(cn1)Br 2230a_100000723930_200025704644 [0,2,0,0,0,0|1,0,1]=4 2365 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 34a_100012353650_200025704644 [0,2,0,0,0,0|0,0,2]=4 2366 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 7a_100012353650_200025704644 [0,2,0,0,0,0|0,0,2]=4 2367 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [0,2,0,0,0,0|1,0,0]=3 2368 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,2,0,0,0,0|1,0,0]=3 2369 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [0,2,0,0,0,0|1,0,0]=3 2370 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [0,2,0,0,0,0|1,0,0]=3 2371 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [0,2,0,0,0,0|1,0,0]=3 2372 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [0,2,0,0,0,0|1,0,0]=3 2373 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [0,2,0,0,0,0|1,0,0]=3 2374 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [0,2,0,0,0,0|0,0,0]=2 2375 B11R1.22 CCC(=O)c1ncc(cn1)O 271570a_203496583355_200010116844 [0,2,0,0,0,0|1,0,0]=3 2376 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [0,2,0,0,0,0|1,0,0]=3 2377 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [0,2,0,0,0,0|1,0,0]=3 2378 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [0,2,0,0,0,0|1,0,0]=3 2379 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [0,2,0,0,0,0|1,0,0]=3 2380 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,2,0,0,0,0|1,0,0]=3 2381 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,2,0,0,0,0|1,0,0]=3 2382 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,2,0,0,0,0|1,0,0]=3 2383 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,2,0,0,0,0|1,0,0]=3 2384 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [0,2,0,0,0,0|1,0,0]=3 2385 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [0,2,0,0,0,0|1,0,0]=3 2386 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [0,2,0,0,0,0|1,0,0]=3 2387 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [0,2,0,0,0,0|1,0,0]=3 2388 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [0,2,0,0,0,0|1,0,0]=3 2389 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [0,2,0,0,0,0|1,0,0]=3 2390 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [0,2,0,0,0,0|1,0,0]=3 2391 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [0,2,0,0,0,0|1,0,0]=3 2392 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [0,2,0,0,0,0|1,0,0]=3 2393 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [0,2,0,0,0,0|1,0,0]=3 2394 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [0,2,0,0,0,0|1,0,0]=3 2395 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [0,2,0,0,0,0|1,0,0]=3 2396 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [0,2,0,0,0,0|1,0,0]=3 2397 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [0,2,0,0,0,0|1,0,0]=3 2398 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [0,2,0,0,0,0|1,0,0]=3 2399 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [0,2,0,0,0,0|0,0,0]=2 2400 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [0,2,0,0,0,0|2,0,0]=4 2401 B11R1.22 CNC(=O)c1ncc(cn1)O 271570a_203496583355_200010127873 [0,2,0,0,0,0|1,0,0]=3 2402 B11R1.22 CNC(C)c1ccc(cn1)Br 2230a_100000723930_200000210301 [0,2,0,0,0,0|1,0,1]=4 2403 B11R1.22 CNC(C)c1ccc(cn1)Br 269862a_106832991636_100000686046 [0,2,0,0,0,0|1,0,1]=4 2404 B11R1.22 CNC(C)c1ccc(cn1)Br 270004a_106832991635_100000686046 [0,2,0,0,0,0|1,0,1]=4 2405 B11R1.22 CNC(C)c1ccc(cn1)C 269862a_106832991636_100000084104 [0,2,0,0,0,0|1,0,1]=4 2406 B11R1.22 CNC(C)c1ccc(cn1)C 270004a_106832991635_100000084104 [0,2,0,0,0,0|1,0,1]=4 2407 B11R1.22 CNC(C)c1ccc(cn1)Cl 269862a_106832991636_100000692432 [0,2,0,0,0,0|1,0,1]=4 2408 B11R1.22 CNC(C)c1ccc(cn1)Cl 270004a_106832991635_100000692432 [0,2,0,0,0,0|1,0,1]=4 2409 B11R1.22 CNC(C)c1ccc(cn1)F 269862a_106832991636_100102946652 [0,2,0,0,0,0|1,0,1]=4 2410 B11R1.22 CNC(C)c1ccc(cn1)F 270004a_106832991635_100102946652 [0,2,0,0,0,0|1,0,1]=4 2411 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,2,0,0,0,0|1,0,0]=3 2412 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,2,0,0,0,0|0,0,0]=2 2413 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [0,2,0,0,0,0|2,0,0]=4 2414 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [0,2,0,0,0,0|1,0,0]=3 2415 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [0,2,0,0,0,0|1,0,0]=3 2416 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [0,2,0,0,0,0|1,0,0]=3 2417 B11R1.22 COC(C)c1ccc(cn1)Br 34a_100012353650_200000210301 [0,2,0,0,0,0|0,0,2]=4 2418 B11R1.22 COC(C)c1ccc(cn1)Br 7a_100012353650_200000210301 [0,2,0,0,0,0|0,0,2]=4 2419 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [0,2,0,0,0,0|1,0,0]=3 2420 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [0,2,0,0,0,0|1,0,1]=4 2421 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [0,2,0,0,0,0|1,0,0]=3 2422 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [0,2,0,0,0,0|2,0,0]=4 2423 B11R1.22 NNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781063 [0,2,0,0,0,0|1,0,0]=3 2424 B11R1.22 NNC(=O)c1cnc(cn1)O 271570a_203496583355_200012021860 [0,2,0,0,0,0|2,0,0]=4 2425 B11R1.22 NNC(=O)c1ncc(cn1)O 271570a_203496583355_100009996755 [0,2,0,0,0,0|2,0,0]=4 2426 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [0,2,0,0,0,0|1,0,0]=3 2427 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [0,2,0,0,0,0|1,0,0]=3 2428 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [0,2,0,0,0,0|1,0,0]=3 2429 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [0,2,0,0,0,0|1,0,0]=3 2430 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [0,2,0,0,0,0|1,0,0]=3 2431 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,2,0,0,0,0|1,0,0]=3 2432 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,2,0,0,0,0|1,0,1]=4 2433 B11R1.166 C=C(C)c1ccc(c[n+]1[O-])C 271570a_100000694244_100009819918 [0,2,0,0,0,0|1,0,1]=4 2434 B11R1.166 C=C(C)c1ccc(c[n+]1[O-])F 271570a_100000694244_100009817261 [0,2,0,0,0,0|1,0,1]=4 2435 B11R1.166 C=C(C)c1ccc(cc1Br)Br 271570a_100000694244_100011484698 [0,2,0,0,0,0|2,0,0]=4 2436 B11R1.166 C=C(C)c1ccc(cc1Br)C 271570a_100000694244_100009813563 [0,2,0,0,0,0|2,0,0]=4 2437 B11R1.166 C=C(C)c1ccc(cc1Br)Cl 271570a_100000694244_100011219703 [0,2,0,0,0,0|2,0,0]=4 2438 B11R1.166 C=C(C)c1ccc(cc1Br)F 271570a_100000694244_100011217111 [0,2,0,0,0,0|2,0,0]=4 2439 B11R1.166 C=C(C)c1ccc(cc1Br)N 271570a_100000694244_100000750458 [0,2,0,0,0,0|2,0,0]=4 2440 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [0,2,0,0,0,0|2,0,0]=4 2441 B11R1.166 C=C(C)c1ccc(cc1C)Br 271570a_100000694244_100000701812 [0,2,0,0,0,0|2,0,0]=4 2442 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [0,2,0,0,0,0|2,0,0]=4 2443 B11R1.166 C=C(C)c1ccc(cc1C)Cl 271570a_100000694244_100011219607 [0,2,0,0,0,0|2,0,0]=4 2444 B11R1.166 C=C(C)c1ccc(cc1C)F 271570a_100000694244_100011205405 [0,2,0,0,0,0|2,0,0]=4 2445 B11R1.166 C=C(C)c1ccc(cc1C)N 271570a_100000694244_100000210723 [0,2,0,0,0,0|2,0,0]=4 2446 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [0,2,0,0,0,0|2,0,0]=4 2447 B11R1.166 C=C(C)c1ccc(cc1Cl)Br 271570a_100000694244_100011216062 [0,2,0,0,0,0|2,0,0]=4 2448 B11R1.166 C=C(C)c1ccc(cc1Cl)C 271570a_100000694244_100011263221 [0,2,0,0,0,0|2,0,0]=4 2449 B11R1.166 C=C(C)c1ccc(cc1Cl)Cl 271570a_100000694244_100000699841 [0,2,0,0,0,0|2,0,0]=4 2450 B11R1.166 C=C(C)c1ccc(cc1Cl)F 271570a_100000694244_100000733362 [0,2,0,0,0,0|2,0,0]=4 2451 B11R1.166 C=C(C)c1ccc(cc1Cl)N 271570a_100000694244_100000761885 [0,2,0,0,0,0|2,0,0]=4 2452 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [0,2,0,0,0,0|2,0,0]=4 2453 B11R1.166 C=C(C)c1ccc(cc1F)Br 271570a_100000694244_100009814013 [0,2,0,0,0,0|2,0,0]=4 2454 B11R1.166 C=C(C)c1ccc(cc1F)C 271570a_100000694244_100011216119 [0,2,0,0,0,0|2,0,0]=4 2455 B11R1.166 C=C(C)c1ccc(cc1F)Cl 271570a_100000694244_100011216042 [0,2,0,0,0,0|2,0,0]=4 2456 B11R1.166 C=C(C)c1ccc(cc1F)F 271570a_100000694244_100000750030 [0,2,0,0,0,0|2,0,0]=4 2457 B11R1.166 C=C(C)c1ccc(cc1F)N 271570a_100000694244_100011356925 [0,2,0,0,0,0|2,0,0]=4 2458 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [0,2,0,0,0,0|2,0,0]=4 2459 B11R1.166 C=C(C)c1ccc(cc1N)Br 271570a_100000694244_100000743836 [0,2,0,0,0,0|2,0,0]=4 2460 B11R1.166 C=C(C)c1ccc(cc1N)C 271570a_100000694244_100011216686 [0,2,0,0,0,0|2,0,0]=4 2461 B11R1.166 C=C(C)c1ccc(cc1N)Cl 271570a_100000694244_100000761886 [0,2,0,0,0,0|2,0,0]=4 2462 B11R1.166 C=C(C)c1ccc(cc1N)F 271570a_100000694244_100011218093 [0,2,0,0,0,0|2,0,0]=4 2463 B11R1.166 C=C(C)c1ccc(cc1N)N 271570a_100000694244_200012175722 [0,2,0,0,0,0|2,0,0]=4 2464 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [0,2,0,0,0,0|2,0,0]=4 2465 B11R1.166 C=C(C)c1ccc(cc1O)Br 271570a_100000694244_100012344904 [0,2,0,0,0,0|2,0,0]=4 2466 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [0,2,0,0,0,0|2,0,0]=4 2467 B11R1.166 C=C(C)c1ccc(cc1O)Cl 271570a_100000694244_100000050036 [0,2,0,0,0,0|2,0,0]=4 2468 B11R1.166 C=C(C)c1ccc(cc1O)F 271570a_100000694244_100000690578 [0,2,0,0,0,0|2,0,0]=4 2469 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [0,2,0,0,0,0|2,0,0]=4 2470 B11R1.166 C=C(C)c1n[nH]c(=O)cc1C 271570a_100000694244_100000081757 [0,2,0,0,0,0|2,0,0]=4 2471 B11R1.166 C=C(C)c1ncc(cc1Br)Cl 271570a_100000694244_100012154958 [0,2,0,0,0,0|1,0,0]=3 2472 B11R1.166 C=C(C)c1ncc(cc1C)Br 271570a_100000694244_100012353652 [0,2,0,0,0,0|1,0,0]=3 2473 B11R1.166 C=C(C)c1ncc(cc1C)C 271570a_100000694244_100009864548 [0,2,0,0,0,0|1,0,0]=3 2474 B11R1.166 C=C(C)c1ncc(cc1C)F 271570a_100000694244_100009817009 [0,2,0,0,0,0|1,0,0]=3 2475 B11R1.166 C=C(C)c1ncc(cc1C)N 271570a_100000694244_100000761747 [0,2,0,0,0,0|1,0,0]=3 2476 B11R1.166 C=C(C)c1ncc(cc1C)O 271570a_100000694244_100012000486 [0,2,0,0,0,0|1,0,0]=3 2477 B11R1.166 C=C(C)c1ncc(cc1F)Br 271570a_100000694244_100012348576 [0,2,0,0,0,0|1,0,0]=3 2478 B11R1.166 C=C(C)c1ncc(cc1F)C 271570a_100000694244_100009819633 [0,2,0,0,0,0|1,0,0]=3 2479 B11R1.166 C=C(C)c1ncc(cc1F)Cl 271570a_100000694244_100012348686 [0,2,0,0,0,0|1,0,0]=3 2480 B11R1.166 C=C(C)c1ncc(cc1F)F 271570a_100000694244_100011219543 [0,2,0,0,0,0|1,0,0]=3 2481 B11R1.166 C=C(C)c1ncc(cc1F)N 271570a_100000694244_100010280766 [0,2,0,0,0,0|1,0,0]=3 2482 B11R1.166 C=C(C)c1ncc(cc1F)O 271570a_100000694244_100000063512 [0,2,0,0,0,0|1,0,0]=3 2483 B11R1.166 C=C(C)c1ncc(cc1N)Br 271570a_100000694244_100010090555 [0,2,0,0,0,0|1,0,0]=3 2484 B11R1.166 C=C(C)c1ncc(cc1N)C 271570a_100000694244_100000733613 [0,2,0,0,0,0|1,0,0]=3 2485 B11R1.166 C=C(C)c1ncc(cc1N)F 271570a_100000694244_100009817643 [0,2,0,0,0,0|1,0,0]=3 2486 B11R1.166 C=C(C)c1ncc(cc1N)N 271570a_100000694244_200000093520 [0,2,0,0,0,0|1,0,0]=3 2487 B11R1.166 C=C(C)c1ncc(cc1O)Br 271570a_100000694244_100010210634 [0,2,0,0,0,0|1,0,0]=3 2488 B11R1.166 C=C(C)c1ncc(cc1O)C 271570a_100000694244_100012000487 [0,2,0,0,0,0|1,0,0]=3 2489 B11R1.166 C=C(C)c1ncc(cc1O)Cl 271570a_100000694244_100010233512 [0,2,0,0,0,0|1,0,0]=3 2490 B11R1.166 C=C(C)c1ncc(cc1O)F 271570a_100000694244_100000079967 [0,2,0,0,0,0|1,0,0]=3 2491 B11R1.166 C=C(C)c1ncc(nc1C)C 271570a_100000694244_100000065684 [0,2,0,0,0,0|2,0,0]=4 2492 B11R1.166 C=C(C)c1ncc(nc1C)N 271570a_100000694244_100009818570 [0,2,0,0,0,0|2,0,0]=4 2493 B11R1.166 C=C(C)c1nnc(cc1C)N 271570a_100000694244_100000123434 [0,2,0,0,0,0|2,0,0]=4 2494 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [0,2,0,0,0,0|1,0,0]=3 2495 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,2,0,0,0,0|1,0,0]=3 2496 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [0,2,0,0,0,0|1,0,0]=3 2497 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [0,2,0,0,0,0|1,0,0]=3 2498 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [0,2,0,0,0,0|1,0,0]=3 2499 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [0,2,0,0,0,0|1,0,0]=3 2500 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [0,2,0,0,0,0|1,0,0]=3 2501 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,2,0,0,0,0|1,0,0]=3 2502 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,2,0,0,0,0|1,0,0]=3 2503 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [0,2,0,0,0,0|1,0,0]=3 2504 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [0,2,0,0,0,0|1,0,0]=3 2505 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,2,0,0,0,0|1,0,0]=3 2506 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,2,0,0,0,0|1,0,0]=3 2507 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [0,2,0,0,0,0|1,0,0]=3 2508 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,2,0,0,0,0|1,0,0]=3 2509 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [0,2,0,0,0,0|1,0,0]=3 2510 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [0,2,0,0,0,0|1,0,0]=3 2511 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [0,2,0,0,0,0|1,0,0]=3 2512 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [0,2,0,0,0,0|1,0,0]=3 2513 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [0,2,0,0,0,0|1,0,0]=3 2514 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,2,0,0,0,0|1,0,0]=3 2515 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [0,2,0,0,0,0|1,0,0]=3 2516 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [0,2,0,0,0,0|1,0,0]=3 2517 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [0,2,0,0,0,0|1,0,0]=3 2518 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [0,2,0,0,0,0|1,0,0]=3 2519 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [0,2,0,0,0,0|1,0,0]=3 2520 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [0,2,0,0,0,0|1,0,0]=3 2521 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,2,0,0,0,0|1,0,0]=3 2522 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [0,2,0,0,0,0|1,0,0]=3 2523 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [0,2,0,0,0,0|1,0,0]=3 2524 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [0,2,0,0,0,0|1,0,0]=3 2525 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [0,2,0,0,0,0|1,0,0]=3 2526 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,2,0,0,0,0|1,0,0]=3 2527 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,2,0,0,0,0|1,0,0]=3 2528 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,2,0,0,0,0|1,0,0]=3 2529 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [0,2,0,0,0,0|1,0,0]=3 2530 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [0,2,0,0,0,0|1,0,0]=3 2531 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [0,2,0,0,0,0|1,0,0]=3 2532 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [0,2,0,0,0,0|1,0,0]=3 2533 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [0,2,0,0,0,0|1,0,0]=3 2534 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [0,2,0,0,0,0|1,0,0]=3 2535 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [0,2,0,0,0,0|0,0,0]=2 2536 B11R1.166 CN(C)c1ncc(cc1O)N 271570a_203496583355_200012353320 [0,2,0,0,0,0|2,0,0]=4 2537 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [0,2,0,0,0,0|2,0,0]=4 2538 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [0,2,0,0,0,0|1,0,0]=3 2539 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,2,0,0,0,0|1,0,0]=3 2540 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [0,2,0,0,0,0|1,0,0]=3 2541 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [0,2,0,0,0,0|1,0,0]=3 2542 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,2,0,0,0,0|1,0,0]=3 2543 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,2,0,0,0,0|1,0,0]=3 2544 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,2,0,0,0,0|1,0,0]=3 2545 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,2,0,0,0,0|1,0,0]=3 2546 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,2,0,0,0,0|1,0,0]=3 2547 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,2,0,0,0,0|1,0,0]=3 2548 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,2,0,0,0,0|1,0,0]=3 2549 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [0,2,0,0,0,0|2,0,0]=4 2550 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [0,2,0,0,0,0|2,0,0]=4 2551 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [0,2,0,0,0,0|2,0,0]=4 2552 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [0,2,0,0,0,0|2,0,0]=4 2553 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [0,2,0,0,0,0|2,0,0]=4 2554 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [0,2,0,0,0,0|2,0,0]=4 2555 B11R1.166 NC(=O)c1ncc(cc1F)O 271570a_203496583355_200010161073 [0,2,0,0,0,0|1,0,0]=3 2556 B11R1.166 NC(=O)c1ncc(cc1N)O 271570a_203496583355_100010235749 [0,2,0,0,0,0|1,0,0]=3 2557 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [0,2,0,0,0,0|1,0,0]=3 2558 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [0,2,0,0,0,0|1,0,0]=3 2559 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [0,2,0,0,0,0|1,0,0]=3 2560 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [0,2,0,0,0,0|1,0,0]=3 2561 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [0,2,0,0,0,0|1,0,0]=3 2562 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [0,2,0,0,0,0|1,0,0]=3 2563 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [0,2,0,0,0,0|1,0,0]=3 2564 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [0,2,0,0,0,0|1,0,0]=3 2565 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [0,2,0,0,0,0|1,0,0]=3 2566 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [0,2,0,0,0,0|1,0,0]=3 2567 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [0,2,0,0,0,0|1,0,0]=3 2568 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [0,2,0,0,0,0|1,0,0]=3 2569 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [0,2,0,0,0,0|1,0,0]=3 2570 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [0,2,0,0,0,0|1,0,0]=3 2571 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [0,2,0,0,0,0|1,0,0]=3 2572 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [0,2,0,0,0,0|1,0,0]=3 2573 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [0,2,0,0,0,0|1,0,0]=3 2574 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [0,2,0,0,0,0|1,0,0]=3 2575 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [0,2,0,0,0,0|1,0,0]=3 2576 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,2,0,0,0,0|1,0,0]=3 2577 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [0,2,0,0,0,0|1,0,0]=3 2578 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [0,2,0,0,0,0|1,0,0]=3 2579 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [0,2,0,0,0,0|1,0,0]=3 2580 B11R1.7 CC(C)(N[13CH3])c1ccccn1 2230a_100011999416_200025704644 [0,2,0,0,0,0|1,0,1]=4 2581 B11R1.7 CC(C)(O[13CH3])c1ccccn1 7a_100000041474_200025704644 [0,2,0,0,0,0|0,0,2]=4 2582 B11R1.7 CNC(C)(C)c1ccccn1 2230a_100011999416_200000210301 [0,2,0,0,0,0|1,0,1]=4 2583 B11R1.7 CNS(=O)(=O)c1ccccc1 270084a_100102657272_100000210345 [0,2,0,0,0,0|2,0,0]=4 2584 B11R1.7 CNS(=O)(=O)c1ccccc1 274078a_100102657272_100000210345 [0,2,0,0,0,0|2,0,0]=4 2585 B11R1.7 CNS(=O)(=O)c1ccccc1 40a_100102657272_100000032697 [0,2,0,0,0,0|2,0,0]=4 2586 B11R1.7 CNS(=O)(=O)c1ccccn1 270084a_100102657272_100016994956 [0,2,0,0,0,0|1,0,0]=3 2587 B11R1.7 CNS(=O)(=O)c1ccccn1 274078a_100102657272_100016994956 [0,2,0,0,0,0|1,0,0]=3 2588 B11R1.7 CNS(=O)(=O)c1ccccn1 40a_100102657272_100000070048 [0,2,0,0,0,0|1,0,0]=3 2589 B11R1.7 COC(C)(C)c1ccccn1 7a_100000041474_200000210301 [0,2,0,0,0,0|0,0,2]=4 2590 B11R1.12 CCC(NC)c1ccccn1 2230a_100015186561_200000210301 [0,2,0,0,0,0|1,0,1]=4 2591 B11R1.12 CCC(NC)c1ccccn1 269862a_106832991636_100000748178 [0,2,0,0,0,0|1,0,1]=4 2592 B11R1.12 CCC(N[13CH3])c1ccccn1 2230a_100015186561_200025704644 [0,2,0,0,0,0|1,0,1]=4 2593 B11R1.12 CNC(CO)c1ccccn1 2230a_100015196888_200000210301 [0,2,0,0,0,0|0,0,2]=4 2594 B11R1.12 [13CH3]NC(CO)c1ccccn1 2230a_100015196888_200025704644 [0,2,0,0,0,0|0,0,2]=4 2595 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,2,0,0,0,0|1,0,0]=3 2596 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,2,0,0,0,0|1,0,0]=3 2597 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,2,0,0,0,0|1,0,0]=3 2598 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,2,0,0,0,0|1,0,0]=3 2599 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,2,0,0,0,0|1,0,0]=3 2600 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,2,0,0,0,0|1,0,0]=3 2601 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [0,2,0,0,0,0|1,0,1]=4 2602 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [0,2,0,0,0,0|1,0,1]=4 2603 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [0,2,0,0,0,0|2,0,0]=4 2604 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [0,2,0,0,0,0|2,0,0]=4 2605 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [0,2,0,0,0,0|2,0,0]=4 2606 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,2,0,0,0,0|1,0,0]=3 2607 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [0,2,0,0,0,0|0,0,0]=2 2608 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [0,2,0,0,0,0|0,0,0]=2 2609 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [0,2,0,0,0,0|2,0,0]=4 2610 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [0,2,0,0,0,0|0,0,2]=4 2611 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,2,0,0,0,0|1,0,0]=3 2612 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [0,2,0,0,0,0|0,0,0]=2 2613 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,2,0,0,0,0|1,0,0]=3 2614 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,2,0,0,0,0|1,0,0]=3 2615 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [0,2,0,0,0,0|0,0,0]=2 2616 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [0,2,0,0,0,0|0,0,0]=2 2617 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [0,2,0,0,0,0|2,0,0]=4 2618 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [0,2,0,0,0,0|2,0,0]=4 2619 B11R1.16 CSCC(=O)c1ccncc1 62a_100000027454_200000210301 [0,2,0,0,0,0|2,0,0]=4 2620 B11R1.16 CSCC(=O)c1ccncc1 62a_200000210301_100000027454 [0,2,0,0,0,0|2,0,0]=4 2621 B11R1.16 CSCC(=O)c1ncccn1 62a_100020636365_200000210301 [0,2,0,0,0,0|1,0,0]=3 2622 B11R1.16 CSCC(=O)c1ncccn1 62a_200000210301_100020636365 [0,2,0,0,0,0|1,0,0]=3 2623 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,2,0,0,0,0|2,0,0]=4 2624 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,2,0,0,0,0|1,0,0]=3 2625 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,2,0,0,0,0|1,0,0]=3 2626 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,2,0,0,0,0|1,0,0]=3 2627 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [0,2,0,0,0,0|0,0,2]=4 2628 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,2,0,0,0,0|1,0,0]=3 2629 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,2,0,0,0,0|1,0,0]=3 2630 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [0,2,0,0,0,0|0,0,0]=2 2631 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [0,2,0,0,0,0|0,0,0]=2 2632 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [0,2,0,0,0,0|2,0,0]=4 2633 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [0,2,0,0,0,0|2,0,0]=4 2634 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_100000027454_200025704644 [0,2,0,0,0,0|2,0,0]=4 2635 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_200025704644_100000027454 [0,2,0,0,0,0|2,0,0]=4 2636 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_100020636365_200025704644 [0,2,0,0,0,0|1,0,0]=3 2637 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_200025704644_100020636365 [0,2,0,0,0,0|1,0,0]=3 2638 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,2,0,0,0,0|2,0,0]=4 2639 B11R1.23 CC(N[13CH3])c1cccc(n1)Br 2230a_200010173468_200025704644 [0,2,0,0,0,0|1,0,1]=4 2640 B11R1.23 CC(O[13CH3])c1cc(ccn1)Cl 7a_100000144657_200025704644 [0,2,0,0,0,0|0,0,2]=4 2641 B11R1.23 CC(O[13CH3])c1cccc(n1)Br 7a_100009820884_200025704644 [0,2,0,0,0,0|0,0,2]=4 2642 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [0,2,0,0,0,0|0,0,0]=2 2643 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [0,2,0,0,0,0|1,0,0]=3 2644 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [0,2,0,0,0,0|1,0,0]=3 2645 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [0,2,0,0,0,0|1,0,0]=3 2646 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [0,2,0,0,0,0|1,0,0]=3 2647 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [0,2,0,0,0,0|1,0,0]=3 2648 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [0,2,0,0,0,0|1,0,0]=3 2649 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [0,2,0,0,0,0|1,0,0]=3 2650 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [0,2,0,0,0,0|0,0,0]=2 2651 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [0,2,0,0,0,0|0,0,0]=2 2652 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [0,2,0,0,0,0|1,0,0]=3 2653 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [0,2,0,0,0,0|1,0,0]=3 2654 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [0,2,0,0,0,0|1,0,0]=3 2655 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [0,2,0,0,0,0|1,0,0]=3 2656 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [0,2,0,0,0,0|1,0,0]=3 2657 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [0,2,0,0,0,0|1,0,0]=3 2658 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [0,2,0,0,0,0|1,0,0]=3 2659 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [0,2,0,0,0,0|1,0,0]=3 2660 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [0,2,0,0,0,0|1,0,0]=3 2661 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [0,2,0,0,0,0|1,0,0]=3 2662 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [0,2,0,0,0,0|1,0,0]=3 2663 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [0,2,0,0,0,0|1,0,0]=3 2664 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [0,2,0,0,0,0|1,0,0]=3 2665 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [0,2,0,0,0,0|1,0,0]=3 2666 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [0,2,0,0,0,0|1,0,0]=3 2667 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [0,2,0,0,0,0|1,0,0]=3 2668 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [0,2,0,0,0,0|1,0,0]=3 2669 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [0,2,0,0,0,0|1,0,0]=3 2670 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [0,2,0,0,0,0|1,0,0]=3 2671 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [0,2,0,0,0,0|1,0,0]=3 2672 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [0,2,0,0,0,0|1,0,0]=3 2673 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [0,2,0,0,0,0|1,0,0]=3 2674 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [0,2,0,0,0,0|1,0,0]=3 2675 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [0,2,0,0,0,0|0,0,0]=2 2676 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [0,2,0,0,0,0|2,0,0]=4 2677 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [0,2,0,0,0,0|2,0,0]=4 2678 B11R1.23 CNC(C)c1cc(ccn1)Br 269862a_106832991636_100000709912 [0,2,0,0,0,0|1,0,1]=4 2679 B11R1.23 CNC(C)c1cc(ccn1)Br 270004a_106832991635_100000709912 [0,2,0,0,0,0|1,0,1]=4 2680 B11R1.23 CNC(C)c1cc(ccn1)C 2230a_100011933787_200000210301 [0,2,0,0,0,0|1,0,1]=4 2681 B11R1.23 CNC(C)c1cc(ccn1)C 269862a_106832991636_100000728896 [0,2,0,0,0,0|1,0,1]=4 2682 B11R1.23 CNC(C)c1cc(ccn1)C 270004a_106832991635_100000728896 [0,2,0,0,0,0|1,0,1]=4 2683 B11R1.23 CNC(C)c1cc(ccn1)Cl 269862a_106832991636_100000099826 [0,2,0,0,0,0|1,0,1]=4 2684 B11R1.23 CNC(C)c1cc(ccn1)Cl 270004a_106832991635_100000099826 [0,2,0,0,0,0|1,0,1]=4 2685 B11R1.23 CNC(C)c1cccc(n1)Br 2230a_200010173468_200000210301 [0,2,0,0,0,0|1,0,1]=4 2686 B11R1.23 CNC(C)c1cccc(n1)Br 269862a_106832991636_100009816502 [0,2,0,0,0,0|1,0,1]=4 2687 B11R1.23 CNC(C)c1cccc(n1)C 2230a_100011877385_200000210301 [0,2,0,0,0,0|1,0,1]=4 2688 B11R1.23 CNC(C)c1cccc(n1)C 269862a_106832991636_100011877301 [0,2,0,0,0,0|1,0,1]=4 2689 B11R1.23 CNC(C)c1cccc(n1)Cl 269862a_106832991636_100000085735 [0,2,0,0,0,0|1,0,1]=4 2690 B11R1.23 CNC(C)c1cccc(n1)F 269862a_106832991636_100000092306 [0,2,0,0,0,0|1,0,1]=4 2691 B11R1.23 CN[C@@H](C)c1cccc(n1)F 2230a_100025709760_200000210301 [0,2,0,0,0,0|1,0,1]=4 2692 B11R1.23 CN[C@@H](C)c1cccc(n1)F 34a_100025709760_200000210301 [0,2,0,0,0,0|1,0,1]=4 2693 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [0,2,0,0,0,0|0,0,0]=2 2694 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [0,2,0,0,0,0|1,0,0]=3 2695 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,2,0,0,0,0|1,0,0]=3 2696 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [0,2,0,0,0,0|0,0,0]=2 2697 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [0,2,0,0,0,0|2,0,0]=4 2698 B11R1.23 COC(=O)c1ccnc(n1)O 271570a_203496583355_100000070389 [0,2,0,0,0,0|1,0,0]=3 2699 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [0,2,0,0,0,0|2,0,0]=4 2700 B11R1.23 COC(=O)c1cncc(n1)O 271570a_203496583355_100000765340 [0,2,0,0,0,0|1,0,0]=3 2701 B11R1.23 COC(C)c1cc(ccn1)Cl 7a_100000144657_200000210301 [0,2,0,0,0,0|0,0,2]=4 2702 B11R1.23 COC(C)c1cccc(n1)Br 7a_100009820884_200000210301 [0,2,0,0,0,0|0,0,2]=4 2703 B11R1.23 COC(C)c1cccc(n1)C 34a_200011877368_200000210301 [0,2,0,0,0,0|0,0,2]=4 2704 B11R1.23 COC(C)c1cccc(n1)C 7a_200011877368_200000210301 [0,2,0,0,0,0|0,0,2]=4 2705 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 2230a_100025709760_200025704644 [0,2,0,0,0,0|1,0,1]=4 2706 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 34a_100025709760_200025704644 [0,2,0,0,0,0|1,0,1]=4 2707 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [0,2,0,0,0,0|1,0,0]=3 2708 B11R1.23 Cc1cccc(n1)C(C)N[13CH3] 2230a_100011877385_200025704644 [0,2,0,0,0,0|1,0,1]=4 2709 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 34a_200011877368_200025704644 [0,2,0,0,0,0|0,0,2]=4 2710 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 7a_200011877368_200025704644 [0,2,0,0,0,0|0,0,2]=4 2711 B11R1.23 Cc1ccnc(c1)C(C)N[13CH3] 2230a_100011933787_200025704644 [0,2,0,0,0,0|1,0,1]=4 2712 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [0,2,0,0,0,0|1,0,1]=4 2713 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [0,2,0,0,0,0|1,0,0]=3 2714 B11R1.23 NNC(=O)c1cc(ccn1)O 271570a_203496583355_100000017052 [0,2,0,0,0,0|1,0,0]=3 2715 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [0,2,0,0,0,0|2,0,0]=4 2716 B11R1.23 NNC(=O)c1cccc(n1)O 271570a_203496583355_100011631096 [0,2,0,0,0,0|1,0,0]=3 2717 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [0,2,0,0,0,0|1,0,0]=3 2718 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [0,2,0,0,0,0|1,0,0]=3 2719 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [0,2,0,0,0,0|1,0,0]=3 2720 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [0,2,0,0,0,0|1,0,0]=3 2721 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [0,2,0,0,0,0|1,0,0]=3 2722 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [0,2,0,0,0,0|1,0,1]=4 2723 B11R1.222 CC(N[13CH3])c1ncccc1Br 2230a_100159271932_200025704644 [0,2,0,0,0,0|1,0,1]=4 2724 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,2,0,0,0,0|1,0,0]=3 2725 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,2,0,0,0,0|1,0,0]=3 2726 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,2,0,0,0,0|1,0,0]=3 2727 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,2,0,0,0,0|1,0,0]=3 2728 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,2,0,0,0,0|1,0,0]=3 2729 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,2,0,0,0,0|1,0,0]=3 2730 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,2,0,0,0,0|1,0,0]=3 2731 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,2,0,0,0,0|1,0,0]=3 2732 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,2,0,0,0,0|1,0,0]=3 2733 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,2,0,0,0,0|1,0,0]=3 2734 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,2,0,0,0,0|1,0,0]=3 2735 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,2,0,0,0,0|1,0,0]=3 2736 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,2,0,0,0,0|1,0,0]=3 2737 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,2,0,0,0,0|1,0,0]=3 2738 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,2,0,0,0,0|1,0,0]=3 2739 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,2,0,0,0,0|1,0,0]=3 2740 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,2,0,0,0,0|1,0,0]=3 2741 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,2,0,0,0,0|1,0,0]=3 2742 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,2,0,0,0,0|1,0,0]=3 2743 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,2,0,0,0,0|1,0,0]=3 2744 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,2,0,0,0,0|1,0,0]=3 2745 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,2,0,0,0,0|1,0,0]=3 2746 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,2,0,0,0,0|1,0,0]=3 2747 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,2,0,0,0,0|1,0,0]=3 2748 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,2,0,0,0,0|1,0,0]=3 2749 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,2,0,0,0,0|1,0,0]=3 2750 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,2,0,0,0,0|1,0,0]=3 2751 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,2,0,0,0,0|1,0,0]=3 2752 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,2,0,0,0,0|1,0,0]=3 2753 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,2,0,0,0,0|1,0,0]=3 2754 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,2,0,0,0,0|1,0,0]=3 2755 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,2,0,0,0,0|1,0,0]=3 2756 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [0,2,0,0,0,0|2,0,0]=4 2757 B11R1.222 CNC(C)c1ncccc1Br 2230a_100159271932_200000210301 [0,2,0,0,0,0|1,0,1]=4 2758 B11R1.222 CNC(C)c1ncccc1Br 269862a_106832991636_100012348690 [0,2,0,0,0,0|1,0,1]=4 2759 B11R1.222 CNC(C)c1ncccc1C 2230a_100011536111_200000210301 [0,2,0,0,0,0|1,0,1]=4 2760 B11R1.222 CNC(C)c1ncccc1C 269862a_106832991636_100011536074 [0,2,0,0,0,0|1,0,1]=4 2761 B11R1.222 CNC(C)c1ncccc1Cl 269862a_106832991636_100015267551 [0,2,0,0,0,0|1,0,1]=4 2762 B11R1.222 CNC(C)c1ncccc1F 269862a_106832991636_100011997767 [0,2,0,0,0,0|1,0,1]=4 2763 B11R1.222 CNC(C)c1ncccc1I 269862a_106832991636_200015599370 [0,2,0,0,0,0|1,0,1]=4 2764 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,2,0,0,0,0|1,0,0]=3 2765 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,2,0,0,0,0|2,0,0]=4 2766 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [0,2,0,0,0,0|2,0,0]=4 2767 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [0,2,0,0,0,0|2,0,0]=4 2768 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,2,0,0,0,0|0,0,0]=2 2769 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [0,2,0,0,0,0|1,0,0]=3 2770 B11R1.222 COC(=O)c1ncncc1O 271570a_203496583355_100012360100 [0,2,0,0,0,0|1,0,0]=3 2771 B11R1.222 CO[C@@H](C)c1ncccc1Br 7a_100013325542_200000210301 [0,2,0,0,0,0|0,0,2]=4 2772 B11R1.222 CO[C@@H](C)c1ncccc1O 271570a_203496583355_106256553109 [0,2,0,0,0,0|0,0,2]=4 2773 B11R1.222 C[C@H](O[13CH3])c1ncccc1Br 7a_100013325542_200025704644 [0,2,0,0,0,0|0,0,2]=4 2774 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,2,0,0,0,0|1,0,0]=3 2775 B11R1.222 Cc1cccnc1C(C)N[13CH3] 2230a_100011536111_200025704644 [0,2,0,0,0,0|1,0,1]=4 2776 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [0,2,0,0,0,0|2,0,0]=4 2777 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [0,2,0,0,0,0|1,0,0]=3 2778 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [0,2,0,0,0,0|1,0,0]=3 2779 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [0,2,0,0,0,0|1,0,0]=3 2780 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [0,2,0,0,0,0|1,0,0]=3 2781 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [0,2,0,0,0,0|1,0,0]=3 2782 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [0,2,0,0,0,0|1,0,0]=3 2783 B11R1.87 CC(C)(O)c1ncccc1O 271570a_203496583355_200010080787 [0,2,0,0,0,0|0,0,2]=4 2784 B11R1.87 CS(=O)(=O)c1ccccc1O 271570a_203496583355_100000751929 [0,2,0,0,0,0|2,0,0]=4 2785 B11R1.87 CS(=O)(=O)c1ncccc1O 271570a_203496583355_100009830116 [0,2,0,0,0,0|1,0,0]=3 2786 B11R1.155 CC(C)(C)c1cc(ccn1)O 271570a_203496583355_100010237918 [0,2,0,0,0,0|1,0,1]=4 2787 B11R1.155 CC(C)(C)c1cccc(n1)O 271570a_203496583355_100010205033 [0,2,0,0,0,0|1,0,1]=4 2788 B11R1.155 CC(C)(F)c1cc(ccn1)O 271570a_203496583355_100015973028 [0,2,0,0,0,0|1,0,1]=4 2789 B11R1.155 CC(C)(O)c1cc(ccn1)O 271570a_203496583355_100010174121 [0,2,0,0,0,0|0,0,2]=4 2790 B11R1.155 CC(C)(O)c1cccc(n1)O 271570a_203496583355_100010074359 [0,2,0,0,0,0|0,0,2]=4 2791 B11R1.155 CC(F)(F)c1cccc(n1)O 271570a_203496583355_100010208558 [0,2,0,0,0,0|1,0,1]=4 2792 B11R1.155 CS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100009815773 [0,2,0,0,0,0|2,0,0]=4 2793 B11R1.155 CS(=O)(=O)c1cccc(n1)O 271570a_203496583355_100010191205 [0,2,0,0,0,0|1,0,0]=3 2794 B11R1.155 CS(=O)(=O)c1ccnc(n1)O 271570a_203496583355_100009841282 [0,2,0,0,0,0|2,0,0]=4 2795 B11R1.155 CS(=O)(=O)c1nccc(n1)O 271570a_203496583355_100000092622 [0,2,0,0,0,0|2,0,0]=4 2796 B11R1.155 NS(=O)(=O)c1cccc(n1)O 271570a_203496583355_100010191238 [0,2,0,0,0,0|2,0,0]=4 2797 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [0,2,0,0,0,0|1,0,0]=3 2798 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [0,2,0,0,0,0|1,0,0]=3 2799 B11R1.53 C=C(C)c1ccccc1C#N 271570a_100000694244_100000188569 [0,2,0,0,0,0|2,0,0]=4 2800 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [0,2,0,0,0,0|2,0,0]=4 2801 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [0,2,0,0,0,0|2,0,0]=4 2802 B11R1.53 C=C(C)c1ccccc1CN 271570a_100000694244_100000689332 [0,2,0,0,0,0|2,0,0]=4 2803 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [0,2,0,0,0,0|2,0,0]=4 2804 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [0,2,0,0,0,0|2,0,0]=4 2805 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [0,2,0,0,0,0|2,0,0]=4 2806 B11R1.53 C=C(C)c1ccccc1NN 271570a_100000694244_100000241748 [0,2,0,0,0,0|2,0,0]=4 2807 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [0,2,0,0,0,0|2,0,0]=4 2808 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [0,2,0,0,0,0|2,0,0]=4 2809 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [0,2,0,0,0,0|2,0,0]=4 2810 B11R1.53 C=C(C)c1ncccc1C#N 271570a_100000694244_100000211984 [0,2,0,0,0,0|1,0,0]=3 2811 B11R1.53 C=C(C)c1ncccc1C=O 271570a_100000694244_100009816751 [0,2,0,0,0,0|1,0,0]=3 2812 B11R1.53 C=C(C)c1ncccc1CN 271570a_100000694244_100015189234 [0,2,0,0,0,0|1,0,0]=3 2813 B11R1.53 C=C(C)c1ncccc1CO 271570a_100000694244_100000748726 [0,2,0,0,0,0|1,0,0]=3 2814 B11R1.53 C=C(C)c1ncccc1NC 271570a_100000694244_200011806188 [0,2,0,0,0,0|1,0,0]=3 2815 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [0,2,0,0,0,0|1,0,0]=3 2816 B11R1.53 C=C(C)c1nccnc1C#N 271570a_100000694244_100000040484 [0,2,0,0,0,0|2,0,0]=4 2817 B11R1.53 C=C(C)c1nccnc1CC 271570a_100000694244_100011995844 [0,2,0,0,0,0|2,0,0]=4 2818 B11R1.53 C=C(C)c1nccnc1CN 271570a_100000694244_100000729963 [0,2,0,0,0,0|2,0,0]=4 2819 B11R1.53 C=C(C)c1nccnc1CO 271570a_100000694244_100000057004 [0,2,0,0,0,0|2,0,0]=4 2820 B11R1.53 C=C(C)c1nccnc1NC 271570a_100000694244_100011529439 [0,2,0,0,0,0|2,0,0]=4 2821 B11R1.53 C=C(C)c1nccnc1NN 271570a_100000694244_100000755098 [0,2,0,0,0,0|2,0,0]=4 2822 B11R1.53 C=C(C)c1nccnc1OC 271570a_100000694244_100000749998 [0,2,0,0,0,0|2,0,0]=4 2823 B11R1.53 C=C(C)c1ncncc1C#N 271570a_100000694244_100000687955 [0,2,0,0,0,0|2,0,0]=4 2824 B11R1.53 C=C(C)c1ncncc1CC 271570a_100000694244_200000100055 [0,2,0,0,0,0|2,0,0]=4 2825 B11R1.53 C=C(C)c1ncncc1OC 271570a_100000694244_100012001275 [0,2,0,0,0,0|2,0,0]=4 2826 B11R1.53 C=C(C)c1nnccc1C#N 271570a_100000694244_100000100742 [0,2,0,0,0,0|2,0,0]=4 2827 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [0,2,0,0,0,0|1,0,0]=3 2828 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [0,2,0,0,0,0|1,0,0]=3 2829 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [0,2,0,0,0,0|2,0,0]=4 2830 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [0,2,0,0,0,0|1,0,0]=3 2831 B11R1.53 C=Cc1ccccc1S(=O)C 271570a_100011290941_100000734199 [0,2,0,0,0,0|2,0,0]=4 2832 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [0,2,0,0,0,0|0,0,0]=2 2833 B11R1.53 C=Cc1cccnc1C(=O)N 271570a_100011290941_200012359670 [0,2,0,0,0,0|1,0,0]=3 2834 B11R1.53 C=Cc1cccnc1C(C)N 271570a_100011290941_100159271932 [0,2,0,0,0,0|1,0,1]=4 2835 B11R1.53 C=Cc1cccnc1N(C)C 271570a_100011290941_100011465059 [0,2,0,0,0,0|2,0,0]=4 2836 B11R1.53 C=Cc1cccnc1[C@H](C)O 271570a_100011290941_100013325542 [0,2,0,0,0,0|0,0,2]=4 2837 B11R1.53 C=Cc1ccncc1C(=O)C 271570a_100011290941_100160469449 [0,2,0,0,0,0|2,0,0]=4 2838 B11R1.53 C=Cc1cnccc1C(=O)C 271570a_100011290941_100009993184 [0,2,0,0,0,0|2,0,0]=4 2839 B11R1.53 C=Cc1ncccc1C(=O)C 271570a_100011290941_100000753718 [0,2,0,0,0,0|2,0,0]=4 2840 B11R1.53 C=Cc1nccnc1C(=O)C 271570a_100011290941_100000099859 [0,2,0,0,0,0|1,0,0]=3 2841 B11R1.53 C=Cc1nccnc1C(=O)N 271570a_100011290941_100000094861 [0,2,0,0,0,0|2,0,0]=4 2842 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [0,2,0,0,0,0|1,0,0]=3 2843 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [0,2,0,0,0,0|1,0,0]=3 2844 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [0,2,0,0,0,0|1,0,0]=3 2845 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [0,2,0,0,0,0|1,0,0]=3 2846 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [0,2,0,0,0,0|2,0,0]=4 2847 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [0,2,0,0,0,0|2,0,0]=4 2848 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [0,2,0,0,0,0|2,0,0]=4 2849 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_100009993184_200025704644 [0,2,0,0,0,0|2,0,0]=4 2850 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_200025704644_100009993184 [0,2,0,0,0,0|2,0,0]=4 2851 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_100160469449_200025704644 [0,2,0,0,0,0|2,0,0]=4 2852 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_200025704644_100160469449 [0,2,0,0,0,0|2,0,0]=4 2853 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [0,2,0,0,0,0|0,0,0]=2 2854 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [0,2,0,0,0,0|0,0,0]=2 2855 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [0,2,0,0,0,0|0,0,0]=2 2856 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [0,2,0,0,0,0|0,0,0]=2 2857 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_100000099859_200025704644 [0,2,0,0,0,0|1,0,0]=3 2858 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000099859 [0,2,0,0,0,0|1,0,0]=3 2859 B11R1.53 CC(C)c1ncccc1O[13CH3] 34a_100012183336_200025704644 [0,2,0,0,0,0|1,0,1]=4 2860 B11R1.53 CC(C)c1ncccc1O[13CH3] 7a_100012183336_200025704644 [0,2,0,0,0,0|1,0,1]=4 2861 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_100159271932_200025704644 [0,2,0,0,0,0|1,0,1]=4 2862 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_200025704644_100159271932 [0,2,0,0,0,0|1,0,1]=4 2863 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [0,2,0,0,0,0|1,0,0]=3 2864 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [0,2,0,0,0,0|1,0,0]=3 2865 B11R1.53 CN(C)c1ncccc1C#N 27a_100102631434_100000211984 [0,2,0,0,0,0|2,0,0]=4 2866 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_100011465059_200025704644 [0,2,0,0,0,0|2,0,0]=4 2867 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_200025704644_100011465059 [0,2,0,0,0,0|2,0,0]=4 2868 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [0,2,0,0,0,0|2,0,0]=4 2869 B11R1.53 CNc1cccnc1C(=O)N 27a_100102657272_200012359670 [0,2,0,0,0,0|1,0,0]=3 2870 B11R1.53 CNc1ccncc1C(=O)C 27a_100102657272_100160469449 [0,2,0,0,0,0|2,0,0]=4 2871 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [0,2,0,0,0,0|2,0,0]=4 2872 B11R1.53 CNc1nccnc1C(=O)C 27a_100102657272_100000099859 [0,2,0,0,0,0|1,0,0]=3 2873 B11R1.53 CNc1nccnc1C(=O)N 27a_100102657272_100000094861 [0,2,0,0,0,0|2,0,0]=4 2874 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [0,2,0,0,0,0|1,0,0]=3 2875 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [0,2,0,0,0,0|2,0,0]=4 2876 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [0,2,0,0,0,0|2,0,0]=4 2877 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [0,2,0,0,0,0|1,0,0]=3 2878 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [0,2,0,0,0,0|2,0,0]=4 2879 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [0,2,0,0,0,0|0,0,0]=2 2880 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [0,2,0,0,0,0|0,0,0]=2 2881 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [0,2,0,0,0,0|1,0,0]=3 2882 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [0,2,0,0,0,0|1,0,0]=3 2883 B11R1.53 COc1cccnc1C(C)C 34a_100012183336_200000210301 [0,2,0,0,0,0|1,0,1]=4 2884 B11R1.53 COc1cccnc1C(C)C 7a_100012183336_200000210301 [0,2,0,0,0,0|1,0,1]=4 2885 B11R1.53 COc1cccnc1[N+](=O)[O-] 7a_100000183951_200000210301 [0,2,0,0,0,0|2,0,0]=4 2886 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [0,2,0,0,0,0|2,0,0]=4 2887 B11R1.53 COc1nccnc1C(=O)N 34a_100011830332_200000210301 [0,2,0,0,0,0|2,0,0]=4 2888 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [0,2,0,0,0,0|2,0,0]=4 2889 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [0,2,0,0,0,0|1,0,0]=3 2890 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [0,2,0,0,0,0|1,0,0]=3 2891 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [0,2,0,0,0,0|2,0,0]=4 2892 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [0,2,0,0,0,0|2,0,0]=4 2893 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [0,2,0,0,0,0|2,0,0]=4 2894 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [0,2,0,0,0,0|2,0,0]=4 2895 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [0,2,0,0,0,0|1,0,0]=3 2896 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [0,2,0,0,0,0|2,0,0]=4 2897 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [0,2,0,0,0,0|0,0,0]=2 2898 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [0,2,0,0,0,0|0,0,0]=2 2899 B11R1.53 CSc1cccnc1C(=O)N 62a_200000210301_200012359670 [0,2,0,0,0,0|1,0,0]=3 2900 B11R1.53 CSc1cccnc1C(=O)N 62a_200012359670_200000210301 [0,2,0,0,0,0|1,0,0]=3 2901 B11R1.53 CSc1cccnc1C(C)N 62a_100159271932_200000210301 [0,2,0,0,0,0|1,0,1]=4 2902 B11R1.53 CSc1cccnc1C(C)N 62a_200000210301_100159271932 [0,2,0,0,0,0|1,0,1]=4 2903 B11R1.53 CSc1cccnc1N(C)C 62a_100011465059_200000210301 [0,2,0,0,0,0|2,0,0]=4 2904 B11R1.53 CSc1cccnc1N(C)C 62a_200000210301_100011465059 [0,2,0,0,0,0|2,0,0]=4 2905 B11R1.53 CSc1cccnc1[C@H](C)O 62a_100013325542_200000210301 [0,2,0,0,0,0|0,0,2]=4 2906 B11R1.53 CSc1cccnc1[C@H](C)O 62a_200000210301_100013325542 [0,2,0,0,0,0|0,0,2]=4 2907 B11R1.53 CSc1ccncc1C(=O)C 62a_100160469449_200000210301 [0,2,0,0,0,0|2,0,0]=4 2908 B11R1.53 CSc1ccncc1C(=O)C 62a_200000210301_100160469449 [0,2,0,0,0,0|2,0,0]=4 2909 B11R1.53 CSc1cnccc1C(=O)C 62a_100009993184_200000210301 [0,2,0,0,0,0|2,0,0]=4 2910 B11R1.53 CSc1cnccc1C(=O)C 62a_200000210301_100009993184 [0,2,0,0,0,0|2,0,0]=4 2911 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [0,2,0,0,0,0|2,0,0]=4 2912 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [0,2,0,0,0,0|2,0,0]=4 2913 B11R1.53 CSc1nccnc1C(=O)C 62a_100000099859_200000210301 [0,2,0,0,0,0|1,0,0]=3 2914 B11R1.53 CSc1nccnc1C(=O)C 62a_200000210301_100000099859 [0,2,0,0,0,0|1,0,0]=3 2915 B11R1.53 CSc1nccnc1C(=O)N 62a_100000094861_200000210301 [0,2,0,0,0,0|2,0,0]=4 2916 B11R1.53 CSc1nccnc1C(=O)N 62a_200000210301_100000094861 [0,2,0,0,0,0|2,0,0]=4 2917 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_100013325542_200025704644 [0,2,0,0,0,0|0,0,2]=4 2918 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_200025704644_100013325542 [0,2,0,0,0,0|0,0,2]=4 2919 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [0,2,0,0,0,0|1,0,0]=3 2920 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [0,2,0,0,0,0|1,0,0]=3 2921 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [0,2,0,0,0,0|1,0,0]=3 2922 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [0,2,0,0,0,0|2,0,0]=4 2923 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [0,2,0,0,0,0|2,0,0]=4 2924 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [0,2,0,0,0,0|2,0,0]=4 2925 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [0,2,0,0,0,0|2,0,0]=4 2926 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [0,2,0,0,0,0|1,0,0]=3 2927 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [0,2,0,0,0,0|1,0,0]=3 2928 B11R1.53 [13CH3]Oc1cccnc1[N+](=O)[O-] 7a_100000183951_200025704644 [0,2,0,0,0,0|2,0,0]=4 2929 B11R1.53 [13CH3]Oc1nccnc1C(=O)N 34a_100011830332_200025704644 [0,2,0,0,0,0|2,0,0]=4 2930 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [0,2,0,0,0,0|2,0,0]=4 2931 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [0,2,0,0,0,0|2,0,0]=4 2932 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [0,2,0,0,0,0|2,0,0]=4 2933 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [0,2,0,0,0,0|2,0,0]=4 2934 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200012359670_200025704644 [0,2,0,0,0,0|1,0,0]=3 2935 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200025704644_200012359670 [0,2,0,0,0,0|1,0,0]=3 2936 B11R1.53 [13CH3]Sc1nccnc1C(=O)N 62a_100000094861_200025704644 [0,2,0,0,0,0|2,0,0]=4 2937 B11R1.53 [13CH3]Sc1nccnc1C(=O)N 62a_200025704644_100000094861 [0,2,0,0,0,0|2,0,0]=4 2938 B11R1.156 C=C(C)c1c(ccc[n+]1[O-])C 271570a_100000694244_100116209805 [0,2,0,0,0,0|1,0,1]=4 2939 B11R1.156 C=C(C)c1c(cccc1Br)Br 271570a_100000694244_100009994525 [0,2,0,0,0,0|2,0,0]=4 2940 B11R1.156 C=C(C)c1c(cccc1Br)Cl 271570a_100000694244_100010214488 [0,2,0,0,0,0|2,0,0]=4 2941 B11R1.156 C=C(C)c1c(cccc1Br)F 271570a_100000694244_100011219512 [0,2,0,0,0,0|2,0,0]=4 2942 B11R1.156 C=C(C)c1c(cccc1Br)N 271570a_100000694244_100020590159 [0,2,0,0,0,0|2,0,0]=4 2943 B11R1.156 C=C(C)c1c(cccc1Br)O 271570a_100000694244_100010187912 [0,2,0,0,0,0|2,0,0]=4 2944 B11R1.156 C=C(C)c1c(cccc1C)C 271570a_100000694244_100000033847 [0,2,0,0,0,0|2,0,0]=4 2945 B11R1.156 C=C(C)c1c(cccc1Cl)C 271570a_100000694244_100000043165 [0,2,0,0,0,0|2,0,0]=4 2946 B11R1.156 C=C(C)c1c(cccc1Cl)Cl 271570a_100000694244_100000034237 [0,2,0,0,0,0|2,0,0]=4 2947 B11R1.156 C=C(C)c1c(cccc1Cl)F 271570a_100000694244_100000050007 [0,2,0,0,0,0|2,0,0]=4 2948 B11R1.156 C=C(C)c1c(cccc1Cl)N 271570a_100000694244_100000049713 [0,2,0,0,0,0|2,0,0]=4 2949 B11R1.156 C=C(C)c1c(cccc1Cl)O 271570a_100000694244_100000050174 [0,2,0,0,0,0|2,0,0]=4 2950 B11R1.156 C=C(C)c1c(cccc1F)C 271570a_100000694244_100012349962 [0,2,0,0,0,0|2,0,0]=4 2951 B11R1.156 C=C(C)c1c(cccc1F)F 271570a_100000694244_100000693133 [0,2,0,0,0,0|2,0,0]=4 2952 B11R1.156 C=C(C)c1c(cccc1F)N 271570a_100000694244_100011934729 [0,2,0,0,0,0|2,0,0]=4 2953 B11R1.156 C=C(C)c1c(cccc1F)O 271570a_100000694244_100009820682 [0,2,0,0,0,0|2,0,0]=4 2954 B11R1.156 C=C(C)c1c(cccc1N)C 271570a_100000694244_100000684715 [0,2,0,0,0,0|2,0,0]=4 2955 B11R1.156 C=C(C)c1c(cccc1O)C 271570a_100000694244_100000686692 [0,2,0,0,0,0|2,0,0]=4 2956 B11R1.156 C=C(C)c1c(cccc1O)N 271570a_100000694244_100012183704 [0,2,0,0,0,0|2,0,0]=4 2957 B11R1.156 C=C(C)c1c(cccc1O)O 271570a_100000694244_100010205330 [0,2,0,0,0,0|2,0,0]=4 2958 B11R1.156 CC(=O)c1c(cccc1Br)Br 1458a_100000690891_200000210301 [0,2,0,0,0,0|1,0,0]=3 2959 B11R1.156 CC(=O)c1c(cccc1Br)C 1458a_100000701904_200000210301 [0,2,0,0,0,0|1,0,0]=3 2960 B11R1.156 CC(=O)c1c(cccc1Br)Cl 1458a_100011253703_200000210301 [0,2,0,0,0,0|1,0,0]=3 2961 B11R1.156 CC(=O)c1c(cccc1Br)F 1458a_100000752694_200000210301 [0,2,0,0,0,0|1,0,0]=3 2962 B11R1.156 CC(=O)c1c(cccc1Br)O 1458a_100011935254_200000210301 [0,2,0,0,0,0|1,0,0]=3 2963 B11R1.156 CC(=O)c1c(cccc1C)C 1458a_100000758298_200000210301 [0,2,0,0,0,0|1,0,0]=3 2964 B11R1.156 CC(=O)c1c(cccc1Cl)C 1458a_100000692601_200000210301 [0,2,0,0,0,0|1,0,0]=3 2965 B11R1.156 CC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200000210301 [0,2,0,0,0,0|1,0,0]=3 2966 B11R1.156 CC(=O)c1c(cccc1Cl)F 1458a_100000210369_200000210301 [0,2,0,0,0,0|1,0,0]=3 2967 B11R1.156 CC(=O)c1c(cccc1Cl)O 1458a_100000745519_200000210301 [0,2,0,0,0,0|1,0,0]=3 2968 B11R1.156 CC(=O)c1c(cccc1F)C 1458a_100000762013_200000210301 [0,2,0,0,0,0|1,0,0]=3 2969 B11R1.156 CC(=O)c1c(cccc1F)F 1458a_100000210804_200000210301 [0,2,0,0,0,0|1,0,0]=3 2970 B11R1.156 CC(=O)c1c(cccc1F)O 1458a_100000763259_200000210301 [0,2,0,0,0,0|1,0,0]=3 2971 B11R1.156 CC(=O)c1c(cccc1F)O 271570a_203496583355_100012351873 [0,2,0,0,0,0|1,0,0]=3 2972 B11R1.156 CC(=O)c1c(cccc1I)Br 1458a_100010232521_200000210301 [0,2,0,0,0,0|1,0,0]=3 2973 B11R1.156 CC(=O)c1c(cccc1I)C 1458a_100000688020_200000210301 [0,2,0,0,0,0|1,0,0]=3 2974 B11R1.156 CC(=O)c1c(cccc1I)Cl 1458a_100000702859_200000210301 [0,2,0,0,0,0|1,0,0]=3 2975 B11R1.156 CC(=O)c1c(cccc1I)F 1458a_100000023732_200000210301 [0,2,0,0,0,0|1,0,0]=3 2976 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [0,2,0,0,0,0|1,0,0]=3 2977 B11R1.156 CC(=O)c1c(cccc1O)O 1458a_100000755285_200000210301 [0,2,0,0,0,0|1,0,0]=3 2978 B11R1.156 CC(=O)c1c(cccc1O)O 271570a_203496583355_100010174959 [0,2,0,0,0,0|1,0,0]=3 2979 B11R1.156 CC(=O)c1c(ccnc1O)N 271570a_203496583355_200010729368 [0,2,0,0,0,0|2,0,0]=4 2980 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Br 1458a_100000701904_200025704644 [0,2,0,0,0,0|1,0,0]=3 2981 B11R1.156 Cc1cccc(c1C(=O)[13CH3])C 1458a_100000758298_200025704644 [0,2,0,0,0,0|1,0,0]=3 2982 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Cl 1458a_100000692601_200025704644 [0,2,0,0,0,0|1,0,0]=3 2983 B11R1.156 Cc1cccc(c1C(=O)[13CH3])F 1458a_100000762013_200025704644 [0,2,0,0,0,0|1,0,0]=3 2984 B11R1.156 Cc1cccc(c1C(=O)[13CH3])I 1458a_100000688020_200025704644 [0,2,0,0,0,0|1,0,0]=3 2985 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [0,2,0,0,0,0|1,0,0]=3 2986 B11R1.156 NC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010147686 [0,2,0,0,0,0|2,0,0]=4 2987 B11R1.156 NC(=O)c1c(cccc1F)O 271570a_203496583355_100011219063 [0,2,0,0,0,0|2,0,0]=4 2988 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Br 1458a_100000690891_200025704644 [0,2,0,0,0,0|1,0,0]=3 2989 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Cl 1458a_100011253703_200025704644 [0,2,0,0,0,0|1,0,0]=3 2990 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)F 1458a_100000752694_200025704644 [0,2,0,0,0,0|1,0,0]=3 2991 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)O 1458a_100011935254_200025704644 [0,2,0,0,0,0|1,0,0]=3 2992 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200025704644 [0,2,0,0,0,0|1,0,0]=3 2993 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)F 1458a_100000210369_200025704644 [0,2,0,0,0,0|1,0,0]=3 2994 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)O 1458a_100000745519_200025704644 [0,2,0,0,0,0|1,0,0]=3 2995 B11R1.156 [13CH3]C(=O)c1c(cccc1F)F 1458a_100000210804_200025704644 [0,2,0,0,0,0|1,0,0]=3 2996 B11R1.156 [13CH3]C(=O)c1c(cccc1F)O 1458a_100000763259_200025704644 [0,2,0,0,0,0|1,0,0]=3 2997 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Br 1458a_100010232521_200025704644 [0,2,0,0,0,0|1,0,0]=3 2998 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Cl 1458a_100000702859_200025704644 [0,2,0,0,0,0|1,0,0]=3 2999 B11R1.156 [13CH3]C(=O)c1c(cccc1I)F 1458a_100000023732_200025704644 [0,2,0,0,0,0|1,0,0]=3 3000 B11R1.156 [13CH3]C(=O)c1c(cccc1O)O 1458a_100000755285_200025704644 [0,2,0,0,0,0|1,0,0]=3 3001 B11R1.159 C=C(C)c1cccc(=O)n1C 271570a_100000694244_100000726605 [0,2,0,0,0,0|1,0,1]=4 3002 B11R1.159 C=C(C)c1cccc(c1Br)O 271570a_100000694244_100010187914 [0,2,0,0,0,0|2,0,0]=4 3003 B11R1.159 C=C(C)c1cccc(c1C)Br 271570a_100000694244_100012353703 [0,2,0,0,0,0|2,0,0]=4 3004 B11R1.159 C=C(C)c1cccc(c1C)C 271570a_100000694244_100011214922 [0,2,0,0,0,0|2,0,0]=4 3005 B11R1.159 C=C(C)c1cccc(c1C)Cl 271570a_100000694244_100000726075 [0,2,0,0,0,0|2,0,0]=4 3006 B11R1.159 C=C(C)c1cccc(c1C)F 271570a_100000694244_100011216893 [0,2,0,0,0,0|2,0,0]=4 3007 B11R1.159 C=C(C)c1cccc(c1C)N 271570a_100000694244_100000761887 [0,2,0,0,0,0|2,0,0]=4 3008 B11R1.159 C=C(C)c1cccc(c1C)O 271570a_100000694244_100012002258 [0,2,0,0,0,0|2,0,0]=4 3009 B11R1.159 C=C(C)c1cccc(c1Cl)Br 271570a_100000694244_100010142854 [0,2,0,0,0,0|2,0,0]=4 3010 B11R1.159 C=C(C)c1cccc(c1Cl)C 271570a_100000694244_200012352035 [0,2,0,0,0,0|2,0,0]=4 3011 B11R1.159 C=C(C)c1cccc(c1Cl)Cl 271570a_100000694244_100011215384 [0,2,0,0,0,0|2,0,0]=4 3012 B11R1.159 C=C(C)c1cccc(c1Cl)F 271570a_100000694244_200010234923 [0,2,0,0,0,0|2,0,0]=4 3013 B11R1.159 C=C(C)c1cccc(c1Cl)O 271570a_100000694244_100000049636 [0,2,0,0,0,0|2,0,0]=4 3014 B11R1.159 C=C(C)c1cccc(c1F)Br 271570a_100000694244_100000702267 [0,2,0,0,0,0|2,0,0]=4 3015 B11R1.159 C=C(C)c1cccc(c1F)C 271570a_100000694244_100000717567 [0,2,0,0,0,0|2,0,0]=4 3016 B11R1.159 C=C(C)c1cccc(c1F)Cl 271570a_100000694244_100011217346 [0,2,0,0,0,0|2,0,0]=4 3017 B11R1.159 C=C(C)c1cccc(c1F)F 271570a_100000694244_100000694657 [0,2,0,0,0,0|2,0,0]=4 3018 B11R1.159 C=C(C)c1cccc(c1F)N 271570a_100000694244_100011935091 [0,2,0,0,0,0|2,0,0]=4 3019 B11R1.159 C=C(C)c1cccc(c1F)O 271570a_100000694244_100009817021 [0,2,0,0,0,0|2,0,0]=4 3020 B11R1.159 C=C(C)c1cccc(c1N)Br 271570a_100000694244_100010146558 [0,2,0,0,0,0|2,0,0]=4 3021 B11R1.159 C=C(C)c1cccc(c1N)C 271570a_100000694244_100011834072 [0,2,0,0,0,0|2,0,0]=4 3022 B11R1.159 C=C(C)c1cccc(c1N)Cl 271570a_100000694244_100010190421 [0,2,0,0,0,0|2,0,0]=4 3023 B11R1.159 C=C(C)c1cccc(c1N)F 271570a_100000694244_100000042321 [0,2,0,0,0,0|2,0,0]=4 3024 B11R1.159 C=C(C)c1cccc(c1N)N 271570a_100000694244_100015191791 [0,2,0,0,0,0|2,0,0]=4 3025 B11R1.159 C=C(C)c1cccc(c1N)O 271570a_100000694244_100011934926 [0,2,0,0,0,0|2,0,0]=4 3026 B11R1.159 C=C(C)c1cccc(c1O)Br 271570a_100000694244_100010084509 [0,2,0,0,0,0|2,0,0]=4 3027 B11R1.159 C=C(C)c1cccc(c1O)C 271570a_100000694244_100009817157 [0,2,0,0,0,0|2,0,0]=4 3028 B11R1.159 C=C(C)c1cccc(c1O)Cl 271570a_100000694244_100010202889 [0,2,0,0,0,0|2,0,0]=4 3029 B11R1.159 C=C(C)c1cccc(c1O)F 271570a_100000694244_100009813666 [0,2,0,0,0,0|2,0,0]=4 3030 B11R1.159 C=C(C)c1cccc(c1O)N 271570a_100000694244_100011934915 [0,2,0,0,0,0|2,0,0]=4 3031 B11R1.159 C=C(C)c1cccc(c1O)O 271570a_100000694244_100009815950 [0,2,0,0,0,0|2,0,0]=4 3032 B11R1.159 C=C(C)c1nccc(c1C)C 271570a_100000694244_100009847204 [0,2,0,0,0,0|1,0,0]=3 3033 B11R1.159 C=C(C)c1nccc(c1C)F 271570a_100000694244_100009846374 [0,2,0,0,0,0|1,0,0]=3 3034 B11R1.159 C=C(C)c1nccc(c1C)N 271570a_100000694244_100009980296 [0,2,0,0,0,0|1,0,0]=3 3035 B11R1.159 C=C(C)c1nccc(c1F)C 271570a_100000694244_100009817629 [0,2,0,0,0,0|1,0,0]=3 3036 B11R1.159 C=C(C)c1nccc(c1F)N 271570a_100000694244_100015205195 [0,2,0,0,0,0|1,0,0]=3 3037 B11R1.159 C=C(C)c1nccc(c1F)O 271570a_100000694244_100009876375 [0,2,0,0,0,0|1,0,0]=3 3038 B11R1.159 C=C(C)c1nccc(c1N)C 271570a_100000694244_100000763560 [0,2,0,0,0,0|1,0,0]=3 3039 B11R1.159 C=C(C)c1nccc(c1N)N 271570a_100000694244_100000085203 [0,2,0,0,0,0|1,0,0]=3 3040 B11R1.159 C=C(C)c1nccc(c1N)O 271570a_100000694244_100000128729 [0,2,0,0,0,0|1,0,0]=3 3041 B11R1.159 C=C(C)c1nccc(c1O)C 271570a_100000694244_100000696282 [0,2,0,0,0,0|1,0,0]=3 3042 B11R1.159 C=C(C)c1nccc(c1O)F 271570a_100000694244_100009867227 [0,2,0,0,0,0|1,0,0]=3 3043 B11R1.159 C=C(C)c1ncnc(c1C)C 271570a_100000694244_100011438038 [0,2,0,0,0,0|2,0,0]=4 3044 B11R1.159 C=C(C)c1ncnc(c1C)N 271570a_100000694244_100011913465 [0,2,0,0,0,0|2,0,0]=4 3045 B11R1.159 C=C(C)c1ncnc(c1C)O 271570a_100000694244_100011912821 [0,2,0,0,0,0|2,0,0]=4 3046 B11R1.159 C=C(C)c1ncnc(c1F)C 271570a_100000694244_100011671633 [0,2,0,0,0,0|2,0,0]=4 3047 B11R1.159 C=C(C)c1ncnc(c1F)N 271570a_100000694244_100000126652 [0,2,0,0,0,0|2,0,0]=4 3048 B11R1.159 C=C(C)c1ncnc(c1N)N 271570a_100000694244_100000766367 [0,2,0,0,0,0|2,0,0]=4 3049 B11R1.159 C=C(C)c1ncnc(c1N)O 271570a_100000694244_100011795086 [0,2,0,0,0,0|2,0,0]=4 3050 B11R1.159 C=C(C)c1nncc(c1C)N 271570a_100000694244_200011012966 [0,2,0,0,0,0|2,0,0]=4 3051 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [0,2,0,0,0,0|1,0,0]=3 3052 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [0,2,0,0,0,0|1,0,0]=3 3053 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [0,2,0,0,0,0|1,0,0]=3 3054 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [0,2,0,0,0,0|1,0,0]=3 3055 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [0,2,0,0,0,0|1,0,0]=3 3056 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [0,2,0,0,0,0|1,0,0]=3 3057 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [0,2,0,0,0,0|1,0,0]=3 3058 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [0,2,0,0,0,0|1,0,0]=3 3059 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [0,2,0,0,0,0|1,0,0]=3 3060 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [0,2,0,0,0,0|1,0,0]=3 3061 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [0,2,0,0,0,0|1,0,0]=3 3062 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [0,2,0,0,0,0|1,0,0]=3 3063 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [0,2,0,0,0,0|1,0,0]=3 3064 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [0,2,0,0,0,0|1,0,0]=3 3065 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [0,2,0,0,0,0|1,0,0]=3 3066 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [0,2,0,0,0,0|1,0,0]=3 3067 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [0,2,0,0,0,0|1,0,0]=3 3068 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [0,2,0,0,0,0|1,0,0]=3 3069 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [0,2,0,0,0,0|1,0,0]=3 3070 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [0,2,0,0,0,0|1,0,0]=3 3071 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [0,2,0,0,0,0|1,0,0]=3 3072 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [0,2,0,0,0,0|1,0,0]=3 3073 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [0,2,0,0,0,0|1,0,0]=3 3074 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [0,2,0,0,0,0|1,0,0]=3 3075 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [0,2,0,0,0,0|1,0,0]=3 3076 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [0,2,0,0,0,0|1,0,0]=3 3077 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [0,2,0,0,0,0|1,0,0]=3 3078 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [0,2,0,0,0,0|1,0,0]=3 3079 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [0,2,0,0,0,0|1,0,0]=3 3080 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [0,2,0,0,0,0|1,0,0]=3 3081 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [0,2,0,0,0,0|1,0,0]=3 3082 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [0,2,0,0,0,0|1,0,0]=3 3083 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [0,2,0,0,0,0|1,0,0]=3 3084 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [0,2,0,0,0,0|1,0,0]=3 3085 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [0,2,0,0,0,0|1,0,0]=3 3086 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [0,2,0,0,0,0|1,0,0]=3 3087 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [0,2,0,0,0,0|1,0,0]=3 3088 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [0,2,0,0,0,0|1,0,0]=3 3089 B11R1.159 CC(=O)c1ccnc(c1N)O 271570a_203496583355_200000063496 [0,2,0,0,0,0|2,0,0]=4 3090 B11R1.159 CC(=O)c1nccc(c1F)O 271570a_203496583355_100010729024 [0,2,0,0,0,0|0,0,0]=2 3091 B11R1.159 Cc1c(cccc1C(=O)N)O 271570a_203496583355_200012298201 [0,2,0,0,0,0|2,0,0]=4 3092 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [0,2,0,0,0,0|1,0,0]=3 3093 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [0,2,0,0,0,0|1,0,0]=3 3094 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [0,2,0,0,0,0|1,0,0]=3 3095 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [0,2,0,0,0,0|1,0,0]=3 3096 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [0,2,0,0,0,0|1,0,0]=3 3097 B11R1.159 Cc1c(ccnc1N(C)C)F 27a_100102631434_100009846374 [0,2,0,0,0,0|2,0,0]=4 3098 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [0,2,0,0,0,0|1,0,0]=3 3099 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [0,2,0,0,0,0|1,0,0]=3 3100 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [0,2,0,0,0,0|1,0,0]=3 3101 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [0,2,0,0,0,0|1,0,0]=3 3102 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [0,2,0,0,0,0|1,0,0]=3 3103 B11R1.159 Cc1cccc(c1O)C(=O)N 271570a_203496583355_200011409216 [0,2,0,0,0,0|2,0,0]=4 3104 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [0,2,0,0,0,0|1,0,0]=3 3105 B11R1.159 NC(=O)c1cccc(c1F)O 271570a_203496583355_100012351131 [0,2,0,0,0,0|2,0,0]=4 3106 B11R1.159 NC(=O)c1cccc(c1N)O 271570a_203496583355_100010144993 [0,2,0,0,0,0|2,0,0]=4 3107 B11R1.159 NC(=O)c1cccc(c1O)F 271570a_203496583355_200012351544 [0,2,0,0,0,0|2,0,0]=4 3108 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [0,2,0,0,0,0|1,0,0]=3 3109 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [0,2,0,0,0,0|1,0,0]=3 3110 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [0,2,0,0,0,0|1,0,0]=3 3111 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [0,2,0,0,0,0|1,0,0]=3 3112 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [0,2,0,0,0,0|1,0,0]=3 3113 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [0,2,0,0,0,0|1,0,0]=3 3114 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [0,2,0,0,0,0|1,0,0]=3 3115 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [0,2,0,0,0,0|1,0,0]=3 3116 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [0,2,0,0,0,0|1,0,0]=3 3117 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [0,2,0,0,0,0|1,0,0]=3 3118 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [0,2,0,0,0,0|1,0,0]=3 3119 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [0,2,0,0,0,0|1,0,0]=3 3120 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [0,2,0,0,0,0|1,0,0]=3 3121 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [0,2,0,0,0,0|1,0,0]=3 3122 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [0,2,0,0,0,0|1,0,0]=3 3123 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [0,2,0,0,0,0|1,0,0]=3 3124 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [0,2,0,0,0,0|1,0,0]=3 3125 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [0,2,0,0,0,0|1,0,0]=3 3126 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [0,2,0,0,0,0|1,0,0]=3 3127 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [0,2,0,0,0,0|1,0,0]=3 3128 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [0,2,0,0,0,0|1,0,0]=3 3129 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [0,2,0,0,0,0|1,0,0]=3 3130 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [0,2,0,0,0,0|1,0,0]=3 3131 B11R1.167 C=C(C)c1cc(ccc1Br)Br 271570a_100000694244_100011483371 [0,2,0,0,0,0|2,0,0]=4 3132 B11R1.167 C=C(C)c1cc(ccc1Br)C 271570a_100000694244_100012353751 [0,2,0,0,0,0|2,0,0]=4 3133 B11R1.167 C=C(C)c1cc(ccc1Br)Cl 271570a_100000694244_100012339723 [0,2,0,0,0,0|2,0,0]=4 3134 B11R1.167 C=C(C)c1cc(ccc1Br)F 271570a_100000694244_100011217576 [0,2,0,0,0,0|2,0,0]=4 3135 B11R1.167 C=C(C)c1cc(ccc1Br)N 271570a_100000694244_100000750459 [0,2,0,0,0,0|2,0,0]=4 3136 B11R1.167 C=C(C)c1cc(ccc1Br)O 271570a_100000694244_100012339312 [0,2,0,0,0,0|2,0,0]=4 3137 B11R1.167 C=C(C)c1cc(ccc1C)Br 271570a_100000694244_100011344865 [0,2,0,0,0,0|2,0,0]=4 3138 B11R1.167 C=C(C)c1cc(ccc1C)C 271570a_100000694244_100000210833 [0,2,0,0,0,0|2,0,0]=4 3139 B11R1.167 C=C(C)c1cc(ccc1C)Cl 271570a_100000694244_100011263213 [0,2,0,0,0,0|2,0,0]=4 3140 B11R1.167 C=C(C)c1cc(ccc1C)F 271570a_100000694244_100011218078 [0,2,0,0,0,0|2,0,0]=4 3141 B11R1.167 C=C(C)c1cc(ccc1C)N 271570a_100000694244_100000736455 [0,2,0,0,0,0|2,0,0]=4 3142 B11R1.167 C=C(C)c1cc(ccc1C)O 271570a_100000694244_100011380479 [0,2,0,0,0,0|2,0,0]=4 3143 B11R1.167 C=C(C)c1cc(ccc1Cl)Br 271570a_100000694244_100011772130 [0,2,0,0,0,0|2,0,0]=4 3144 B11R1.167 C=C(C)c1cc(ccc1Cl)C 271570a_100000694244_100012356289 [0,2,0,0,0,0|2,0,0]=4 3145 B11R1.167 C=C(C)c1cc(ccc1Cl)Cl 271570a_100000694244_100000707729 [0,2,0,0,0,0|2,0,0]=4 3146 B11R1.167 C=C(C)c1cc(ccc1Cl)F 271570a_100000694244_100011217299 [0,2,0,0,0,0|2,0,0]=4 3147 B11R1.167 C=C(C)c1cc(ccc1Cl)N 271570a_100000694244_100012360549 [0,2,0,0,0,0|2,0,0]=4 3148 B11R1.167 C=C(C)c1cc(ccc1Cl)O 271570a_100000694244_100000049588 [0,2,0,0,0,0|2,0,0]=4 3149 B11R1.167 C=C(C)c1cc(ccc1F)Br 271570a_100000694244_100011217312 [0,2,0,0,0,0|2,0,0]=4 3150 B11R1.167 C=C(C)c1cc(ccc1F)C 271570a_100000694244_100000736223 [0,2,0,0,0,0|2,0,0]=4 3151 B11R1.167 C=C(C)c1cc(ccc1F)Cl 271570a_100000694244_100011218116 [0,2,0,0,0,0|2,0,0]=4 3152 B11R1.167 C=C(C)c1cc(ccc1F)F 271570a_100000694244_100000750033 [0,2,0,0,0,0|2,0,0]=4 3153 B11R1.167 C=C(C)c1cc(ccc1F)N 271570a_100000694244_100000760356 [0,2,0,0,0,0|2,0,0]=4 3154 B11R1.167 C=C(C)c1cc(ccc1F)O 271570a_100000694244_100000693481 [0,2,0,0,0,0|2,0,0]=4 3155 B11R1.167 C=C(C)c1cc(ccc1N)Br 271570a_100000694244_100000187925 [0,2,0,0,0,0|2,0,0]=4 3156 B11R1.167 C=C(C)c1cc(ccc1N)C 271570a_100000694244_100000210942 [0,2,0,0,0,0|2,0,0]=4 3157 B11R1.167 C=C(C)c1cc(ccc1N)Cl 271570a_100000694244_100000761889 [0,2,0,0,0,0|2,0,0]=4 3158 B11R1.167 C=C(C)c1cc(ccc1N)F 271570a_100000694244_100000760547 [0,2,0,0,0,0|2,0,0]=4 3159 B11R1.167 C=C(C)c1cc(ccc1N)N 271570a_100000694244_100011534242 [0,2,0,0,0,0|2,0,0]=4 3160 B11R1.167 C=C(C)c1cc(ccc1N)O 271570a_100000694244_100012001276 [0,2,0,0,0,0|2,0,0]=4 3161 B11R1.167 C=C(C)c1cc(ccc1O)Br 271570a_100000694244_100012355227 [0,2,0,0,0,0|2,0,0]=4 3162 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [0,2,0,0,0,0|2,0,0]=4 3163 B11R1.167 C=C(C)c1cc(ccc1O)Cl 271570a_100000694244_100011356953 [0,2,0,0,0,0|2,0,0]=4 3164 B11R1.167 C=C(C)c1cc(ccc1O)F 271570a_100000694244_100000211999 [0,2,0,0,0,0|2,0,0]=4 3165 B11R1.167 C=C(C)c1cc(ccc1O)N 271570a_100000694244_100011534360 [0,2,0,0,0,0|2,0,0]=4 3166 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [0,2,0,0,0,0|2,0,0]=4 3167 B11R1.167 C=C(C)c1nc(c[nH]c1=O)C 271570a_100000694244_100009858157 [0,2,0,0,0,0|2,0,0]=4 3168 B11R1.167 C=C(C)c1nc(ccc1Br)N 271570a_100000694244_100010192275 [0,2,0,0,0,0|1,0,0]=3 3169 B11R1.167 C=C(C)c1nc(ccc1C)C 271570a_100000694244_100009854376 [0,2,0,0,0,0|1,0,0]=3 3170 B11R1.167 C=C(C)c1nc(ccc1C)N 271570a_100000694244_100000126722 [0,2,0,0,0,0|1,0,0]=3 3171 B11R1.167 C=C(C)c1nc(ccc1F)C 271570a_100000694244_100009817602 [0,2,0,0,0,0|1,0,0]=3 3172 B11R1.167 C=C(C)c1nc(ccc1F)Cl 271570a_100000694244_100010136221 [0,2,0,0,0,0|1,0,0]=3 3173 B11R1.167 C=C(C)c1nc(ccc1F)F 271570a_100000694244_100010997973 [0,2,0,0,0,0|1,0,0]=3 3174 B11R1.167 C=C(C)c1nc(ccc1F)N 271570a_100000694244_100010892222 [0,2,0,0,0,0|1,0,0]=3 3175 B11R1.167 C=C(C)c1nc(ccc1N)Br 271570a_100000694244_100010168765 [0,2,0,0,0,0|1,0,0]=3 3176 B11R1.167 C=C(C)c1nc(ccc1N)C 271570a_100000694244_100000685570 [0,2,0,0,0,0|1,0,0]=3 3177 B11R1.167 C=C(C)c1nc(ccc1N)Cl 271570a_100000694244_100010233647 [0,2,0,0,0,0|1,0,0]=3 3178 B11R1.167 C=C(C)c1nc(ccc1N)F 271570a_100000694244_100009879877 [0,2,0,0,0,0|1,0,0]=3 3179 B11R1.167 C=C(C)c1nc(ccc1N)N 271570a_100000694244_200009884323 [0,2,0,0,0,0|1,0,0]=3 3180 B11R1.167 C=C(C)c1nc(ccc1O)Br 271570a_100000694244_100010253912 [0,2,0,0,0,0|1,0,0]=3 3181 B11R1.167 C=C(C)c1nc(ccc1O)C 271570a_100000694244_100000702858 [0,2,0,0,0,0|1,0,0]=3 3182 B11R1.167 C=C(C)c1nc(ccc1O)Cl 271570a_100000694244_100000696390 [0,2,0,0,0,0|1,0,0]=3 3183 B11R1.167 C=C(C)c1nc(ccc1O)F 271570a_100000694244_100010382442 [0,2,0,0,0,0|1,0,0]=3 3184 B11R1.167 C=C(C)c1nc(cnc1C)C 271570a_100000694244_100000211308 [0,2,0,0,0,0|2,0,0]=4 3185 B11R1.167 C=C(C)c1nc(cnc1C)N 271570a_100000694244_100009877824 [0,2,0,0,0,0|2,0,0]=4 3186 B11R1.167 C=C(C)c1nc(cnc1N)Br 271570a_100000694244_100010988662 [0,2,0,0,0,0|2,0,0]=4 3187 B11R1.167 C=C(C)c1nc(cnc1N)C 271570a_100000694244_100009819049 [0,2,0,0,0,0|2,0,0]=4 3188 B11R1.167 C=C(C)c1nc(ncc1C)N 271570a_100000694244_100000016107 [0,2,0,0,0,0|2,0,0]=4 3189 B11R1.167 C=C(C)c1nc(ncc1F)C 271570a_100000694244_100000059819 [0,2,0,0,0,0|2,0,0]=4 3190 B11R1.167 C=C(C)c1nc(ncc1F)N 271570a_100000694244_200000093006 [0,2,0,0,0,0|2,0,0]=4 3191 B11R1.167 C=C(C)c1nc(ncc1N)C 271570a_100000694244_100009873743 [0,2,0,0,0,0|2,0,0]=4 3192 B11R1.167 CC(=O)C1=NC(=O)CC=C1Cl 1458a_100009855368_200000210301 [0,2,0,0,0,0|0,0,1]=3 3193 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [0,2,0,0,0,0|1,0,0]=3 3194 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [0,2,0,0,0,0|1,0,0]=3 3195 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [0,2,0,0,0,0|1,0,0]=3 3196 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [0,2,0,0,0,0|1,0,0]=3 3197 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [0,2,0,0,0,0|1,0,0]=3 3198 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [0,2,0,0,0,0|1,0,0]=3 3199 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [0,2,0,0,0,0|1,0,0]=3 3200 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,2,0,0,0,0|1,0,0]=3 3201 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,2,0,0,0,0|1,0,0]=3 3202 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [0,2,0,0,0,0|1,0,0]=3 3203 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [0,2,0,0,0,0|1,0,0]=3 3204 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [0,2,0,0,0,0|1,0,0]=3 3205 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [0,2,0,0,0,0|1,0,0]=3 3206 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [0,2,0,0,0,0|1,0,0]=3 3207 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [0,2,0,0,0,0|1,0,0]=3 3208 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [0,2,0,0,0,0|1,0,0]=3 3209 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [0,2,0,0,0,0|1,0,0]=3 3210 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [0,2,0,0,0,0|1,0,0]=3 3211 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [0,2,0,0,0,0|1,0,0]=3 3212 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [0,2,0,0,0,0|1,0,0]=3 3213 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [0,2,0,0,0,0|1,0,0]=3 3214 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [0,2,0,0,0,0|1,0,0]=3 3215 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [0,2,0,0,0,0|1,0,0]=3 3216 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [0,2,0,0,0,0|1,0,0]=3 3217 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [0,2,0,0,0,0|1,0,0]=3 3218 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [0,2,0,0,0,0|1,0,0]=3 3219 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [0,2,0,0,0,0|1,0,0]=3 3220 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [0,2,0,0,0,0|1,0,0]=3 3221 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [0,2,0,0,0,0|1,0,0]=3 3222 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [0,2,0,0,0,0|1,0,0]=3 3223 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [0,2,0,0,0,0|1,0,0]=3 3224 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [0,2,0,0,0,0|1,0,0]=3 3225 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [0,2,0,0,0,0|1,0,0]=3 3226 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [0,2,0,0,0,0|1,0,0]=3 3227 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [0,2,0,0,0,0|1,0,0]=3 3228 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [0,2,0,0,0,0|1,0,0]=3 3229 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [0,2,0,0,0,0|1,0,0]=3 3230 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [0,2,0,0,0,0|1,0,0]=3 3231 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [0,2,0,0,0,0|1,0,0]=3 3232 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [0,2,0,0,0,0|1,0,0]=3 3233 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [0,2,0,0,0,0|1,0,0]=3 3234 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [0,2,0,0,0,0|1,0,0]=3 3235 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [0,2,0,0,0,0|1,0,0]=3 3236 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [0,2,0,0,0,0|1,0,0]=3 3237 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [0,2,0,0,0,0|1,0,0]=3 3238 B11R1.167 CC(=O)c1cc(cnc1C)O 271570a_203496583355_100138557192 [0,2,0,0,0,0|2,0,0]=4 3239 B11R1.167 CC(=O)c1cc(cnc1F)O 271570a_203496583355_100010254234 [0,2,0,0,0,0|2,0,0]=4 3240 B11R1.167 CC(=O)c1cc(cnc1N)O 271570a_203496583355_100010173950 [0,2,0,0,0,0|2,0,0]=4 3241 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [0,2,0,0,0,0|2,0,0]=4 3242 B11R1.167 CC(=O)c1cc(ncc1F)O 271570a_203496583355_100000697832 [0,2,0,0,0,0|2,0,0]=4 3243 B11R1.167 CC(=O)c1nc(ccc1F)O 271570a_203496583355_100009887703 [0,2,0,0,0,0|0,0,0]=2 3244 B11R1.167 CC(=O)c1nc(ncc1C)O 271570a_203496583355_100010687370 [0,2,0,0,0,0|1,0,0]=3 3245 B11R1.167 CN(C)c1nc(ccc1F)F 27a_100102631434_100010997973 [0,2,0,0,0,0|2,0,0]=4 3246 B11R1.167 CN(C)c1nc(ccc1N)F 27a_100102631434_100009879877 [0,2,0,0,0,0|2,0,0]=4 3247 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [0,2,0,0,0,0|2,0,0]=4 3248 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [0,2,0,0,0,0|1,0,0]=3 3249 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,2,0,0,0,0|1,0,0]=3 3250 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [0,2,0,0,0,0|1,0,0]=3 3251 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [0,2,0,0,0,0|1,0,0]=3 3252 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [0,2,0,0,0,0|1,0,0]=3 3253 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [0,2,0,0,0,0|1,0,0]=3 3254 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [0,2,0,0,0,0|2,0,0]=4 3255 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [0,2,0,0,0,0|1,0,0]=3 3256 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,2,0,0,0,0|1,0,0]=3 3257 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [0,2,0,0,0,0|1,0,0]=3 3258 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [0,2,0,0,0,0|1,0,0]=3 3259 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [0,2,0,0,0,0|1,0,0]=3 3260 B11R1.167 NC(=O)c1cc(ccc1F)O 271570a_203496583355_100000162119 [0,2,0,0,0,0|2,0,0]=4 3261 B11R1.167 NC(=O)c1cc(ccc1N)O 271570a_203496583355_100000740421 [0,2,0,0,0,0|2,0,0]=4 3262 B11R1.167 NC(=O)c1cc(ccc1O)Br 271570a_203496583355_200000162314 [0,2,0,0,0,0|2,0,0]=4 3263 B11R1.167 NC(=O)c1cc(ccc1O)F 271570a_203496583355_100000206434 [0,2,0,0,0,0|2,0,0]=4 3264 B11R1.167 NC(=O)c1cc(ccc1O)N 271570a_203496583355_100015186447 [0,2,0,0,0,0|2,0,0]=4 3265 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [0,2,0,0,0,0|2,0,0]=4 3266 B11R1.167 NC(=O)c1nc(ccc1N)O 271570a_203496583355_100000093116 [0,2,0,0,0,0|1,0,0]=3 3267 B11R1.167 NC(=O)c1nc(cnc1N)O 271570a_203496583355_100010179960 [0,2,0,0,0,0|2,0,0]=4 3268 B11R1.167 NC(=O)c1nc(cnc1O)O 271570a_203496583355_100010272261 [0,2,0,0,0,0|2,0,0]=4 3269 B11R1.167 [13CH3]C(=O)C1=NC(=O)CC=C1Cl 1458a_100009855368_200025704644 [0,2,0,0,0,0|0,0,1]=3 3270 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [0,2,0,0,0,0|1,0,0]=3 3271 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [0,2,0,0,0,0|1,0,0]=3 3272 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [0,2,0,0,0,0|1,0,0]=3 3273 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [0,2,0,0,0,0|1,0,0]=3 3274 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [0,2,0,0,0,0|1,0,0]=3 3275 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [0,2,0,0,0,0|1,0,0]=3 3276 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [0,2,0,0,0,0|1,0,0]=3 3277 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [0,2,0,0,0,0|1,0,0]=3 3278 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [0,2,0,0,0,0|1,0,0]=3 3279 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [0,2,0,0,0,0|1,0,0]=3 3280 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [0,2,0,0,0,0|1,0,0]=3 3281 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [0,2,0,0,0,0|1,0,0]=3 3282 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [0,2,0,0,0,0|1,0,0]=3 3283 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [0,2,0,0,0,0|1,0,0]=3 3284 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [0,2,0,0,0,0|1,0,0]=3 3285 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [0,2,0,0,0,0|1,0,0]=3 3286 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [0,2,0,0,0,0|1,0,0]=3 3287 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [0,2,0,0,0,0|1,0,0]=3 3288 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [0,2,0,0,0,0|1,0,0]=3 3289 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [0,2,0,0,0,0|1,0,0]=3 3290 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [0,2,0,0,0,0|1,0,0]=3 3291 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [0,2,0,0,0,0|1,0,0]=3 3292 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [0,2,0,0,0,0|1,0,0]=3 3293 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [0,2,0,0,0,0|1,0,0]=3 3294 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [0,2,0,0,0,0|1,0,0]=3 3295 B11R1.74 C=C(C)c1cc(cc(c1)Br)Br 271570a_100000694244_100009814770 [0,2,0,0,0,0|2,0,0]=4 3296 B11R1.74 C=C(C)c1cc(cc(c1)Br)Cl 271570a_100000694244_100009814755 [0,2,0,0,0,0|2,0,0]=4 3297 B11R1.74 C=C(C)c1cc(cc(c1)Br)F 271570a_100000694244_100009814764 [0,2,0,0,0,0|2,0,0]=4 3298 B11R1.74 C=C(C)c1cc(cc(c1)Br)N 271570a_100000694244_100009814763 [0,2,0,0,0,0|2,0,0]=4 3299 B11R1.74 C=C(C)c1cc(cc(c1)Br)O 271570a_100000694244_100010068917 [0,2,0,0,0,0|2,0,0]=4 3300 B11R1.74 C=C(C)c1cc(cc(c1)C)C 271570a_100000694244_100011215608 [0,2,0,0,0,0|2,0,0]=4 3301 B11R1.74 C=C(C)c1cc(cc(c1)Cl)C 271570a_100000694244_100010172791 [0,2,0,0,0,0|2,0,0]=4 3302 B11R1.74 C=C(C)c1cc(cc(c1)Cl)Cl 271570a_100000694244_100000747138 [0,2,0,0,0,0|2,0,0]=4 3303 B11R1.74 C=C(C)c1cc(cc(c1)Cl)F 271570a_100000694244_100013859453 [0,2,0,0,0,0|2,0,0]=4 3304 B11R1.74 C=C(C)c1cc(cc(c1)Cl)N 271570a_100000694244_100010147676 [0,2,0,0,0,0|2,0,0]=4 3305 B11R1.74 C=C(C)c1cc(cc(c1)Cl)O 271570a_100000694244_100010068924 [0,2,0,0,0,0|2,0,0]=4 3306 B11R1.74 C=C(C)c1cc(cc(c1)F)C 271570a_100000694244_100011356977 [0,2,0,0,0,0|2,0,0]=4 3307 B11R1.74 C=C(C)c1cc(cc(c1)F)F 271570a_100000694244_100011218498 [0,2,0,0,0,0|2,0,0]=4 3308 B11R1.74 C=C(C)c1cc(cc(c1)F)N 271570a_100000694244_100011356972 [0,2,0,0,0,0|2,0,0]=4 3309 B11R1.74 C=C(C)c1cc(cc(c1)F)O 271570a_100000694244_100000717995 [0,2,0,0,0,0|2,0,0]=4 3310 B11R1.74 C=C(C)c1cc(cc(c1)N)C 271570a_100000694244_100000695972 [0,2,0,0,0,0|2,0,0]=4 3311 B11R1.74 C=C(C)c1cc(cc(c1)N)N 271570a_100000694244_100011999608 [0,2,0,0,0,0|2,0,0]=4 3312 B11R1.74 C=C(C)c1cc(cc(c1)O)C 271570a_100000694244_100011999630 [0,2,0,0,0,0|2,0,0]=4 3313 B11R1.74 C=C(C)c1cc(cc(c1)O)O 271570a_100000694244_100009868816 [0,2,0,0,0,0|2,0,0]=4 3314 B11R1.74 C=C(C)c1cc(cc(n1)C)C 271570a_100000694244_100000069240 [0,2,0,0,0,0|1,0,0]=3 3315 B11R1.74 C=C(C)c1cc(cc(n1)F)C 271570a_100000694244_100009819601 [0,2,0,0,0,0|1,0,0]=3 3316 B11R1.74 C=C(C)c1cc(cc(n1)N)C 271570a_100000694244_100009819863 [0,2,0,0,0,0|1,0,0]=3 3317 B11R1.74 C=C(C)c1cc(nc(n1)C)C 271570a_100000694244_100000736142 [0,2,0,0,0,0|2,0,0]=4 3318 B11R1.74 C=C(C)c1cc(nc(n1)C)N 271570a_100000694244_100012178882 [0,2,0,0,0,0|2,0,0]=4 3319 B11R1.74 C=C(C)c1cc(nc(n1)C)O 271570a_100000694244_106741647437 [0,2,0,0,0,0|2,0,0]=4 3320 B11R1.74 C=C(C)c1cc(nc(n1)N)C 271570a_100000694244_100000183061 [0,2,0,0,0,0|2,0,0]=4 3321 B11R1.74 C=C(C)c1cc(nc(n1)N)N 271570a_100000694244_100011177858 [0,2,0,0,0,0|2,0,0]=4 3322 B11R1.74 C=C(C)c1cc(nc(n1)N)O 271570a_100000694244_100000694715 [0,2,0,0,0,0|2,0,0]=4 3323 B11R1.74 C=C(C)c1nc(cc(n1)C)C 271570a_100000694244_100000736147 [0,2,0,0,0,0|2,0,0]=4 3324 B11R1.74 C=C(C)c1nc(cc(n1)N)C 271570a_100000694244_100000687285 [0,2,0,0,0,0|2,0,0]=4 3325 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200000210301 [0,2,0,0,0,0|1,0,0]=3 3326 B11R1.74 CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_200000210301 [0,2,0,0,0,0|1,0,0]=3 3327 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200000210301 [0,2,0,0,0,0|1,0,0]=3 3328 B11R1.74 CC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200000210301 [0,2,0,0,0,0|1,0,0]=3 3329 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200000210301 [0,2,0,0,0,0|1,0,0]=3 3330 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100010005435 [0,2,0,0,0,0|1,0,0]=3 3331 B11R1.74 CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_200000210301 [0,2,0,0,0,0|1,0,0]=3 3332 B11R1.74 CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_200000210301 [0,2,0,0,0,0|1,0,0]=3 3333 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200000210301 [0,2,0,0,0,0|1,0,0]=3 3334 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200000210301 [0,2,0,0,0,0|1,0,0]=3 3335 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000210301 [0,2,0,0,0,0|1,0,0]=3 3336 B11R1.74 CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_200000210301 [0,2,0,0,0,0|1,0,0]=3 3337 B11R1.74 CC(=O)c1cc(cc(c1)F)F 1458a_100000211655_200000210301 [0,2,0,0,0,0|1,0,0]=3 3338 B11R1.74 CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_200000210301 [0,2,0,0,0,0|1,0,0]=3 3339 B11R1.74 CC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100012361402 [0,2,0,0,0,0|1,0,0]=3 3340 B11R1.74 CC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200000210301 [0,2,0,0,0,0|1,0,0]=3 3341 B11R1.74 CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_200000210301 [0,2,0,0,0,0|1,0,0]=3 3342 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200000210301 [0,2,0,0,0,0|1,0,0]=3 3343 B11R1.74 CC(=O)c1cc(cc(c1)I)F 1458a_100012047268_200000210301 [0,2,0,0,0,0|1,0,0]=3 3344 B11R1.74 CC(=O)c1cc(cc(c1)I)I 1458a_100011204819_200000210301 [0,2,0,0,0,0|1,0,0]=3 3345 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [0,2,0,0,0,0|1,0,0]=3 3346 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [0,2,0,0,0,0|1,0,0]=3 3347 B11R1.74 CC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100009884196 [0,2,0,0,0,0|2,0,0]=4 3348 B11R1.74 Cc1cc(cc(c1)C(=O)N)O 271570a_203496583355_200012348365 [0,2,0,0,0,0|2,0,0]=4 3349 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100000760426_200025704644 [0,2,0,0,0,0|1,0,0]=3 3350 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000210874_200025704644 [0,2,0,0,0,0|1,0,0]=3 3351 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000684526_200025704644 [0,2,0,0,0,0|1,0,0]=3 3352 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])F 1458a_100000763163_200025704644 [0,2,0,0,0,0|1,0,0]=3 3353 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])I 1458a_100000729426_200025704644 [0,2,0,0,0,0|1,0,0]=3 3354 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [0,2,0,0,0,0|1,0,0]=3 3355 B11R1.74 Cc1cc(nc(c1)N(C)C)C 27a_100102631434_100000069240 [0,2,0,0,0,0|2,0,0]=4 3356 B11R1.74 Cc1cc(nc(c1)N(C)C)F 27a_100102631434_100009819601 [0,2,0,0,0,0|2,0,0]=4 3357 B11R1.74 NC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011280034 [0,2,0,0,0,0|2,0,0]=4 3358 B11R1.74 NC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100010084318 [0,2,0,0,0,0|2,0,0]=4 3359 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200025704644 [0,2,0,0,0,0|1,0,0]=3 3360 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200025704644 [0,2,0,0,0,0|1,0,0]=3 3361 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200025704644 [0,2,0,0,0,0|1,0,0]=3 3362 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200025704644 [0,2,0,0,0,0|1,0,0]=3 3363 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200025704644 [0,2,0,0,0,0|1,0,0]=3 3364 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200025704644 [0,2,0,0,0,0|1,0,0]=3 3365 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200025704644 [0,2,0,0,0,0|1,0,0]=3 3366 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)F 1458a_100000211655_200025704644 [0,2,0,0,0,0|1,0,0]=3 3367 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)O 1458a_100012017291_200025704644 [0,2,0,0,0,0|1,0,0]=3 3368 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200025704644 [0,2,0,0,0,0|1,0,0]=3 3369 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200025704644 [0,2,0,0,0,0|1,0,0]=3 3370 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)F 1458a_100012047268_200025704644 [0,2,0,0,0,0|1,0,0]=3 3371 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)I 1458a_100011204819_200025704644 [0,2,0,0,0,0|1,0,0]=3 3372 B11R1.266 C#Cc1cccc(c1)C(=O)C 1458a_100011997762_200000210301 [0,2,0,0,0,0|1,0,0]=3 3373 B11R1.266 C#Cc1cccc(c1)C(=O)[13CH3] 1458a_100011997762_200025704644 [0,2,0,0,0,0|1,0,0]=3 3374 B11R1.266 C=C(C)c1cc(ccn1)C#N 271570a_100000694244_100011291639 [0,2,0,0,0,0|1,0,0]=3 3375 B11R1.266 C=C(C)c1cc(ccn1)C=O 271570a_100000694244_100011290808 [0,2,0,0,0,0|1,0,0]=3 3376 B11R1.266 C=C(C)c1cc(ccn1)CC 271570a_100000694244_100009817561 [0,2,0,0,0,0|1,0,0]=3 3377 B11R1.266 C=C(C)c1cc(ccn1)CO 271570a_100000694244_100009814636 [0,2,0,0,0,0|1,0,0]=3 3378 B11R1.266 C=C(C)c1cc(ccn1)NC 271570a_100000694244_100009869472 [0,2,0,0,0,0|1,0,0]=3 3379 B11R1.266 C=C(C)c1cc(ccn1)OC 271570a_100000694244_100011216251 [0,2,0,0,0,0|1,0,0]=3 3380 B11R1.266 C=C(C)c1cc(ccn1)SC 271570a_100000694244_100010883326 [0,2,0,0,0,0|1,0,0]=3 3381 B11R1.266 C=C(C)c1cc(cnn1)OC 271570a_100000694244_100000087634 [0,2,0,0,0,0|2,0,0]=4 3382 B11R1.266 C=C(C)c1cc(ncn1)C#N 271570a_100000694244_100000092509 [0,2,0,0,0,0|2,0,0]=4 3383 B11R1.266 C=C(C)c1cc(ncn1)CC 271570a_100000694244_100000744278 [0,2,0,0,0,0|2,0,0]=4 3384 B11R1.266 C=C(C)c1cc(ncn1)CO 271570a_100000694244_100000731546 [0,2,0,0,0,0|2,0,0]=4 3385 B11R1.266 C=C(C)c1cc(ncn1)NC 271570a_100000694244_100000756605 [0,2,0,0,0,0|2,0,0]=4 3386 B11R1.266 C=C(C)c1cc(ncn1)NN 271570a_100000694244_100000242035 [0,2,0,0,0,0|2,0,0]=4 3387 B11R1.266 C=C(C)c1cc(ncn1)OC 271570a_100000694244_100012187182 [0,2,0,0,0,0|2,0,0]=4 3388 B11R1.266 C=C(C)c1cc(ncn1)SC 271570a_100000694244_100011443430 [0,2,0,0,0,0|2,0,0]=4 3389 B11R1.266 C=C(C)c1cccc(c1)C#N 271570a_100000694244_100000189340 [0,2,0,0,0,0|2,0,0]=4 3390 B11R1.266 C=C(C)c1cccc(c1)C=O 271570a_100000694244_100000014684 [0,2,0,0,0,0|2,0,0]=4 3391 B11R1.266 C=C(C)c1cccc(c1)CC 271570a_100000694244_100000684523 [0,2,0,0,0,0|2,0,0]=4 3392 B11R1.266 C=C(C)c1cccc(c1)CF 271570a_100000694244_100010878472 [0,2,0,0,0,0|2,0,0]=4 3393 B11R1.266 C=C(C)c1cccc(c1)CN 271570a_100000694244_100000106179 [0,2,0,0,0,0|2,0,0]=4 3394 B11R1.266 C=C(C)c1cccc(c1)CO 271570a_100000694244_100000687537 [0,2,0,0,0,0|2,0,0]=4 3395 B11R1.266 C=C(C)c1cccc(c1)NC 271570a_100000694244_100000219648 [0,2,0,0,0,0|2,0,0]=4 3396 B11R1.266 C=C(C)c1cccc(c1)NN 271570a_100000694244_100000217339 [0,2,0,0,0,0|2,0,0]=4 3397 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [0,2,0,0,0,0|2,0,0]=4 3398 B11R1.266 C=C(C)c1cccc(c1)SC 271570a_100000694244_100011215954 [0,2,0,0,0,0|2,0,0]=4 3399 B11R1.266 C=C(C)c1cccc(c1)SC 62a_100012123953_200000210301 [0,2,0,0,0,0|2,0,0]=4 3400 B11R1.266 C=C(C)c1cccc(c1)SC 62a_200000210301_100012123953 [0,2,0,0,0,0|2,0,0]=4 3401 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_100012123953_200025704644 [0,2,0,0,0,0|2,0,0]=4 3402 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_200025704644_100012123953 [0,2,0,0,0,0|2,0,0]=4 3403 B11R1.266 C=C(C)c1cccc(n1)C#N 271570a_100000694244_100011934037 [0,2,0,0,0,0|1,0,0]=3 3404 B11R1.266 C=C(C)c1cccc(n1)C=O 271570a_100000694244_100000688028 [0,2,0,0,0,0|1,0,0]=3 3405 B11R1.266 C=C(C)c1cccc(n1)CC 271570a_100000694244_100009856026 [0,2,0,0,0,0|1,0,0]=3 3406 B11R1.266 C=C(C)c1cccc(n1)CN 271570a_100000694244_100016990191 [0,2,0,0,0,0|1,0,0]=3 3407 B11R1.266 C=C(C)c1cccc(n1)CO 271570a_100000694244_100000694195 [0,2,0,0,0,0|1,0,0]=3 3408 B11R1.266 C=C(C)c1cccc(n1)NC 271570a_100000694244_100000703281 [0,2,0,0,0,0|1,0,0]=3 3409 B11R1.266 C=C(C)c1cccc(n1)NN 271570a_100000694244_100009817029 [0,2,0,0,0,0|1,0,0]=3 3410 B11R1.266 C=C(C)c1cccc(n1)OC 271570a_100000694244_100000760917 [0,2,0,0,0,0|1,0,0]=3 3411 B11R1.266 C=C(C)c1cccc(n1)SC 271570a_100000694244_100011960944 [0,2,0,0,0,0|1,0,0]=3 3412 B11R1.266 C=C(C)c1ccnc(n1)C#N 271570a_100000694244_100000092507 [0,2,0,0,0,0|2,0,0]=4 3413 B11R1.266 C=C(C)c1ccnc(n1)NC 271570a_100000694244_100012000420 [0,2,0,0,0,0|2,0,0]=4 3414 B11R1.266 C=C(C)c1ccnc(n1)OC 271570a_100000694244_100000069072 [0,2,0,0,0,0|2,0,0]=4 3415 B11R1.266 C=C(C)c1ccnc(n1)SC 271570a_100000694244_100000032126 [0,2,0,0,0,0|2,0,0]=4 3416 B11R1.266 C=C(C)c1cncc(n1)C#N 271570a_100000694244_100009817212 [0,2,0,0,0,0|2,0,0]=4 3417 B11R1.266 C=C(C)c1cncc(n1)CO 271570a_100000694244_100009853123 [0,2,0,0,0,0|2,0,0]=4 3418 B11R1.266 C=C(C)c1cncc(n1)NC 271570a_100000694244_100011529438 [0,2,0,0,0,0|2,0,0]=4 3419 B11R1.266 C=C(C)c1cncc(n1)NN 271570a_100000694244_100102525095 [0,2,0,0,0,0|2,0,0]=4 3420 B11R1.266 C=C(C)c1cncc(n1)OC 271570a_100000694244_100000756030 [0,2,0,0,0,0|2,0,0]=4 3421 B11R1.266 C=C(C)c1nccc(n1)C#N 271570a_100000694244_100000066186 [0,2,0,0,0,0|2,0,0]=4 3422 B11R1.266 C=C(C)c1nccc(n1)CC 271570a_100000694244_100000100215 [0,2,0,0,0,0|2,0,0]=4 3423 B11R1.266 C=C(C)c1nccc(n1)NC 271570a_100000694244_100011649947 [0,2,0,0,0,0|2,0,0]=4 3424 B11R1.266 C=C(C)c1nccc(n1)OC 271570a_100000694244_100000182009 [0,2,0,0,0,0|2,0,0]=4 3425 B11R1.266 C=C(C)c1nccc(n1)SC 271570a_100000694244_100011650323 [0,2,0,0,0,0|2,0,0]=4 3426 B11R1.266 C=Cc1cc(ccn1)C(=O)C 271570a_100011290941_100000685609 [0,2,0,0,0,0|2,0,0]=4 3427 B11R1.266 C=Cc1cc(ncn1)C(=O)N 271570a_100011290941_100000725265 [0,2,0,0,0,0|2,0,0]=4 3428 B11R1.266 C=Cc1cccc(c1)C(=C)C 271570a_100011290941_100012123953 [0,2,0,0,0,0|2,0,0]=4 3429 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [0,2,0,0,0,0|1,0,0]=3 3430 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [0,2,0,0,0,0|1,0,0]=3 3431 B11R1.266 C=Cc1cccc(c1)C(=O)N 271570a_100011290941_100000162208 [0,2,0,0,0,0|2,0,0]=4 3432 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [0,2,0,0,0,0|1,0,0]=3 3433 B11R1.266 C=Cc1cccc(c1)S(=O)C 271570a_100011290941_100009816267 [0,2,0,0,0,0|2,0,0]=4 3434 B11R1.266 C=Cc1cccc(n1)C(=O)C 271570a_100011290941_100009816502 [0,2,0,0,0,0|0,0,0]=2 3435 B11R1.266 C=Cc1cccc(n1)C(=O)N 271570a_100011290941_100011834053 [0,2,0,0,0,0|1,0,0]=3 3436 B11R1.266 C=Cc1cccc(n1)C(C)C 271570a_100011290941_100012318657 [0,2,0,0,0,0|1,0,1]=4 3437 B11R1.266 C=Cc1cccc(n1)C(C)N 271570a_100011290941_200010173468 [0,2,0,0,0,0|1,0,1]=4 3438 B11R1.266 C=Cc1cccc(n1)C(C)O 271570a_100011290941_100009820884 [0,2,0,0,0,0|0,0,2]=4 3439 B11R1.266 C=Cc1cccc(n1)N(C)C 271570a_100011290941_100011960435 [0,2,0,0,0,0|2,0,0]=4 3440 B11R1.266 C=Cc1ccnc(c1)C(=O)C 271570a_100011290941_100000709912 [0,2,0,0,0,0|0,0,0]=2 3441 B11R1.266 C=Cc1ccnc(c1)C(=O)N 271570a_100011290941_100000229564 [0,2,0,0,0,0|1,0,0]=3 3442 B11R1.266 C=Cc1ccnc(c1)C(C)C 271570a_100011290941_100010237922 [0,2,0,0,0,0|1,0,1]=4 3443 B11R1.266 C=Cc1ccnc(c1)C(C)O 271570a_100011290941_100000144657 [0,2,0,0,0,0|0,0,2]=4 3444 B11R1.266 C=Cc1ccnc(c1)N(C)C 271570a_100011290941_100012361627 [0,2,0,0,0,0|2,0,0]=4 3445 B11R1.266 C=Cc1cncc(c1)C(=O)C 271570a_100011290941_100011216243 [0,2,0,0,0,0|2,0,0]=4 3446 B11R1.266 C=Cc1cncc(n1)C(=O)N 271570a_100011290941_100000764846 [0,2,0,0,0,0|2,0,0]=4 3447 B11R1.266 C=Cc1nccc(n1)C(=O)C 271570a_100011290941_100010643186 [0,2,0,0,0,0|1,0,0]=3 3448 B11R1.266 C=Cc1nccc(n1)C(=O)N 271570a_100011290941_100000066158 [0,2,0,0,0,0|2,0,0]=4 3449 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_100000709912_200025704644 [0,2,0,0,0,0|0,0,0]=2 3450 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000709912 [0,2,0,0,0,0|0,0,0]=2 3451 B11R1.266 CC(=O)c1cccc(c1)C#N 1458a_100000183950_200000210301 [0,2,0,0,0,0|1,0,0]=3 3452 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [0,2,0,0,0,0|1,0,0]=3 3453 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [0,2,0,0,0,0|1,0,0]=3 3454 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [0,2,0,0,0,0|1,0,0]=3 3455 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [0,2,0,0,0,0|1,0,0]=3 3456 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [0,2,0,0,0,0|1,0,0]=3 3457 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_100009816502_200025704644 [0,2,0,0,0,0|0,0,0]=2 3458 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100009816502 [0,2,0,0,0,0|0,0,0]=2 3459 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_100000685609_200025704644 [0,2,0,0,0,0|2,0,0]=4 3460 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100000685609 [0,2,0,0,0,0|2,0,0]=4 3461 B11R1.266 CC(=O)c1ccnc(n1)S[13CH3] 62a_100010643186_200025704644 [0,2,0,0,0,0|1,0,0]=3 3462 B11R1.266 CC(=O)c1ccnc(n1)S[13CH3] 62a_200025704644_100010643186 [0,2,0,0,0,0|1,0,0]=3 3463 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_100011216243_200025704644 [0,2,0,0,0,0|2,0,0]=4 3464 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100011216243 [0,2,0,0,0,0|2,0,0]=4 3465 B11R1.266 CC(C)c1cc(ccn1)S[13CH3] 62a_100010237922_200025704644 [0,2,0,0,0,0|1,0,1]=4 3466 B11R1.266 CC(C)c1cc(ccn1)S[13CH3] 62a_200025704644_100010237922 [0,2,0,0,0,0|1,0,1]=4 3467 B11R1.266 CC(C)c1cccc(n1)S[13CH3] 62a_100012318657_200025704644 [0,2,0,0,0,0|1,0,1]=4 3468 B11R1.266 CC(C)c1cccc(n1)S[13CH3] 62a_200025704644_100012318657 [0,2,0,0,0,0|1,0,1]=4 3469 B11R1.266 CC(N)c1cccc(n1)S[13CH3] 62a_200010173468_200025704644 [0,2,0,0,0,0|1,0,1]=4 3470 B11R1.266 CC(N)c1cccc(n1)S[13CH3] 62a_200025704644_200010173468 [0,2,0,0,0,0|1,0,1]=4 3471 B11R1.266 CC(O)c1cc(ccn1)S[13CH3] 62a_100000144657_200025704644 [0,2,0,0,0,0|0,0,2]=4 3472 B11R1.266 CC(O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000144657 [0,2,0,0,0,0|0,0,2]=4 3473 B11R1.266 CC(O)c1cccc(n1)S[13CH3] 62a_100009820884_200025704644 [0,2,0,0,0,0|0,0,2]=4 3474 B11R1.266 CC(O)c1cccc(n1)S[13CH3] 62a_200025704644_100009820884 [0,2,0,0,0,0|0,0,2]=4 3475 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [0,2,0,0,0,0|1,0,0]=3 3476 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [0,2,0,0,0,0|1,0,0]=3 3477 B11R1.266 CCc1ccnc(c1)N(C)C 27a_100102631434_100009817561 [0,2,0,0,0,0|2,0,0]=4 3478 B11R1.266 CN(C)c1cc(ccn1)C#N 27a_100102631434_100011291639 [0,2,0,0,0,0|2,0,0]=4 3479 B11R1.266 CN(C)c1cc(ccn1)S[13CH3] 62a_100012361627_200025704644 [0,2,0,0,0,0|2,0,0]=4 3480 B11R1.266 CN(C)c1cc(ccn1)S[13CH3] 62a_200025704644_100012361627 [0,2,0,0,0,0|2,0,0]=4 3481 B11R1.266 CN(C)c1cccc(n1)C#N 27a_100102631434_100011934037 [0,2,0,0,0,0|2,0,0]=4 3482 B11R1.266 CN(C)c1cccc(n1)S[13CH3] 62a_100011960435_200025704644 [0,2,0,0,0,0|2,0,0]=4 3483 B11R1.266 CN(C)c1cccc(n1)S[13CH3] 62a_200025704644_100011960435 [0,2,0,0,0,0|2,0,0]=4 3484 B11R1.266 CNc1cc(ncn1)C(=O)N 27a_100102657272_100000725265 [0,2,0,0,0,0|2,0,0]=4 3485 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [0,2,0,0,0,0|2,0,0]=4 3486 B11R1.266 CNc1cccc(n1)C(=O)C 27a_100102657272_100000085735 [0,2,0,0,0,0|0,0,0]=2 3487 B11R1.266 CNc1cccc(n1)C(=O)N 27a_100102657272_100011834053 [0,2,0,0,0,0|1,0,0]=3 3488 B11R1.266 CNc1cccc(n1)C(C)C 27a_100102657272_100012318657 [0,2,0,0,0,0|1,0,1]=4 3489 B11R1.266 CNc1cccc(n1)C(C)O 27a_100102657272_100009820884 [0,2,0,0,0,0|0,0,2]=4 3490 B11R1.266 CNc1ccnc(c1)C(=O)N 27a_100102657272_100000229564 [0,2,0,0,0,0|1,0,0]=3 3491 B11R1.266 CNc1ccnc(c1)C(C)C 27a_100102657272_100010237922 [0,2,0,0,0,0|1,0,1]=4 3492 B11R1.266 CNc1ccnc(c1)C(C)O 27a_100102657272_100000144657 [0,2,0,0,0,0|0,0,2]=4 3493 B11R1.266 CNc1cncc(n1)C(=O)N 27a_100102657272_100000764846 [0,2,0,0,0,0|2,0,0]=4 3494 B11R1.266 CNc1nccc(n1)C(=O)C 27a_100102657272_100010643186 [0,2,0,0,0,0|1,0,0]=3 3495 B11R1.266 CNc1nccc(n1)C(=O)N 27a_100102657272_100000066158 [0,2,0,0,0,0|2,0,0]=4 3496 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [0,2,0,0,0,0|1,0,0]=3 3497 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [0,2,0,0,0,0|1,0,0]=3 3498 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [0,2,0,0,0,0|1,0,0]=3 3499 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [0,2,0,0,0,0|2,0,0]=4 3500 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [0,2,0,0,0,0|2,0,0]=4 3501 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [0,2,0,0,0,0|1,0,0]=3 3502 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_100009816267_200025704644 [0,2,0,0,0,0|2,0,0]=4 3503 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009816267 [0,2,0,0,0,0|2,0,0]=4 3504 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_100000685609_200000210301 [0,2,0,0,0,0|2,0,0]=4 3505 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_200000210301_100000685609 [0,2,0,0,0,0|2,0,0]=4 3506 B11R1.266 CSc1cc(ncn1)C(=O)N 62a_100000725265_200000210301 [0,2,0,0,0,0|2,0,0]=4 3507 B11R1.266 CSc1cc(ncn1)C(=O)N 62a_200000210301_100000725265 [0,2,0,0,0,0|2,0,0]=4 3508 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [0,2,0,0,0,0|1,0,0]=3 3509 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [0,2,0,0,0,0|1,0,0]=3 3510 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [0,2,0,0,0,0|1,0,0]=3 3511 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [0,2,0,0,0,0|2,0,0]=4 3512 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [0,2,0,0,0,0|2,0,0]=4 3513 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [0,2,0,0,0,0|1,0,0]=3 3514 B11R1.266 CSc1cccc(c1)S(=O)C 62a_100009816267_200000210301 [0,2,0,0,0,0|2,0,0]=4 3515 B11R1.266 CSc1cccc(c1)S(=O)C 62a_200000210301_100009816267 [0,2,0,0,0,0|2,0,0]=4 3516 B11R1.266 CSc1cccc(n1)C(=O)C 62a_100009816502_200000210301 [0,2,0,0,0,0|0,0,0]=2 3517 B11R1.266 CSc1cccc(n1)C(=O)C 62a_200000210301_100009816502 [0,2,0,0,0,0|0,0,0]=2 3518 B11R1.266 CSc1cccc(n1)C(=O)N 62a_100011834053_200000210301 [0,2,0,0,0,0|1,0,0]=3 3519 B11R1.266 CSc1cccc(n1)C(=O)N 62a_200000210301_100011834053 [0,2,0,0,0,0|1,0,0]=3 3520 B11R1.266 CSc1cccc(n1)C(C)C 62a_100012318657_200000210301 [0,2,0,0,0,0|1,0,1]=4 3521 B11R1.266 CSc1cccc(n1)C(C)C 62a_200000210301_100012318657 [0,2,0,0,0,0|1,0,1]=4 3522 B11R1.266 CSc1cccc(n1)C(C)N 62a_200000210301_200010173468 [0,2,0,0,0,0|1,0,1]=4 3523 B11R1.266 CSc1cccc(n1)C(C)N 62a_200010173468_200000210301 [0,2,0,0,0,0|1,0,1]=4 3524 B11R1.266 CSc1cccc(n1)C(C)O 62a_100009820884_200000210301 [0,2,0,0,0,0|0,0,2]=4 3525 B11R1.266 CSc1cccc(n1)C(C)O 62a_200000210301_100009820884 [0,2,0,0,0,0|0,0,2]=4 3526 B11R1.266 CSc1cccc(n1)N(C)C 62a_100011960435_200000210301 [0,2,0,0,0,0|2,0,0]=4 3527 B11R1.266 CSc1cccc(n1)N(C)C 62a_200000210301_100011960435 [0,2,0,0,0,0|2,0,0]=4 3528 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_100000709912_200000210301 [0,2,0,0,0,0|0,0,0]=2 3529 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_200000210301_100000709912 [0,2,0,0,0,0|0,0,0]=2 3530 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_100000229564_200000210301 [0,2,0,0,0,0|1,0,0]=3 3531 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_200000210301_100000229564 [0,2,0,0,0,0|1,0,0]=3 3532 B11R1.266 CSc1ccnc(c1)C(C)C 62a_100010237922_200000210301 [0,2,0,0,0,0|1,0,1]=4 3533 B11R1.266 CSc1ccnc(c1)C(C)C 62a_200000210301_100010237922 [0,2,0,0,0,0|1,0,1]=4 3534 B11R1.266 CSc1ccnc(c1)C(C)O 62a_100000144657_200000210301 [0,2,0,0,0,0|0,0,2]=4 3535 B11R1.266 CSc1ccnc(c1)C(C)O 62a_200000210301_100000144657 [0,2,0,0,0,0|0,0,2]=4 3536 B11R1.266 CSc1ccnc(c1)N(C)C 62a_100012361627_200000210301 [0,2,0,0,0,0|2,0,0]=4 3537 B11R1.266 CSc1ccnc(c1)N(C)C 62a_200000210301_100012361627 [0,2,0,0,0,0|2,0,0]=4 3538 B11R1.266 CSc1cncc(c1)C(=O)C 62a_100011216243_200000210301 [0,2,0,0,0,0|2,0,0]=4 3539 B11R1.266 CSc1cncc(c1)C(=O)C 62a_200000210301_100011216243 [0,2,0,0,0,0|2,0,0]=4 3540 B11R1.266 CSc1cncc(n1)C(=O)N 62a_100000764846_200000210301 [0,2,0,0,0,0|2,0,0]=4 3541 B11R1.266 CSc1cncc(n1)C(=O)N 62a_200000210301_100000764846 [0,2,0,0,0,0|2,0,0]=4 3542 B11R1.266 CSc1nccc(n1)C(=O)C 62a_100010643186_200000210301 [0,2,0,0,0,0|1,0,0]=3 3543 B11R1.266 CSc1nccc(n1)C(=O)C 62a_200000210301_100010643186 [0,2,0,0,0,0|1,0,0]=3 3544 B11R1.266 CSc1nccc(n1)C(=O)N 62a_100000066158_200000210301 [0,2,0,0,0,0|2,0,0]=4 3545 B11R1.266 CSc1nccc(n1)C(=O)N 62a_200000210301_100000066158 [0,2,0,0,0,0|2,0,0]=4 3546 B11R1.266 [13CH3]C(=O)c1cccc(c1)C#N 1458a_100000183950_200025704644 [0,2,0,0,0,0|1,0,0]=3 3547 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [0,2,0,0,0,0|1,0,0]=3 3548 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [0,2,0,0,0,0|2,0,0]=4 3549 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [0,2,0,0,0,0|2,0,0]=4 3550 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [0,2,0,0,0,0|2,0,0]=4 3551 B11R1.266 [13CH3]Sc1cc(ncn1)C(=O)N 62a_100000725265_200025704644 [0,2,0,0,0,0|2,0,0]=4 3552 B11R1.266 [13CH3]Sc1cc(ncn1)C(=O)N 62a_200025704644_100000725265 [0,2,0,0,0,0|2,0,0]=4 3553 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [0,2,0,0,0,0|2,0,0]=4 3554 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [0,2,0,0,0,0|2,0,0]=4 3555 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_100011834053_200025704644 [0,2,0,0,0,0|1,0,0]=3 3556 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_200025704644_100011834053 [0,2,0,0,0,0|1,0,0]=3 3557 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_100000229564_200025704644 [0,2,0,0,0,0|1,0,0]=3 3558 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_200025704644_100000229564 [0,2,0,0,0,0|1,0,0]=3 3559 B11R1.266 [13CH3]Sc1cncc(n1)C(=O)N 62a_100000764846_200025704644 [0,2,0,0,0,0|2,0,0]=4 3560 B11R1.266 [13CH3]Sc1cncc(n1)C(=O)N 62a_200025704644_100000764846 [0,2,0,0,0,0|2,0,0]=4 3561 B11R1.266 [13CH3]Sc1nccc(n1)C(=O)N 62a_100000066158_200025704644 [0,2,0,0,0,0|2,0,0]=4 3562 B11R1.266 [13CH3]Sc1nccc(n1)C(=O)N 62a_200025704644_100000066158 [0,2,0,0,0,0|2,0,0]=4 3563 B9R1.7 C=C=Cc1ncc(s1)C 271570a_100015277604_100000690809 [0,0,1,1,0,0|0,1,1]=4 3564 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [0,0,1,1,0,0|1,1,0]=4 3565 B9R1.7 CC=Cc1ncc(s1)C 271570a_100016259895_100000690809 [0,0,1,1,0,0|0,1,1]=4 3566 B9R1.13 CC(=Cc1c[nH]cn1)C 271570a_100102525489_100000756875 [0,0,1,1,0,0|2,0,0]=4 3567 B9R1.13 CC(=Cc1cc[nH]n1)C 271570a_100102525489_100000062575 [0,0,1,1,0,0|2,0,0]=4 3568 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,0,1,1,0,0|2,0,0]=4 3569 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [0,0,1,1,0,0|2,0,0]=4 3570 B9R1.13 CC(=Cc1ccsn1)C 271570a_100102525489_100009818082 [0,0,1,1,0,0|2,0,0]=4 3571 B9R1.13 CC(=Cc1cscn1)C 271570a_100102525489_100000751502 [0,0,1,1,0,0|2,0,0]=4 3572 B9R1.13 CC(=Cc1ncc[nH]1)C 271570a_100102525489_100025796157 [0,0,1,1,0,0|2,0,0]=4 3573 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [0,0,1,1,0,0|2,0,0]=4 3574 B9R1.13 CC(=Cc1nccs1)C 271570a_100102525489_100000211983 [0,0,1,1,0,0|2,0,0]=4 3575 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,0,1,1,0,0|1,0,1]=4 3576 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,0,1,1,0,0|1,0,1]=4 3577 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,1,1,0,0|0,0,2]=4 3578 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,1,1,0,0|1,0,1]=4 3579 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,1,1,0,0|1,0,1]=4 3580 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,0,1,1,0,0|1,0,1]=4 3581 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,0,1,1,0,0|1,0,1]=4 3582 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,0,1,1,0,0|1,0,1]=4 3583 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,1,1,0,0|1,0,1]=4 3584 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,0,1,1,0,0|1,0,1]=4 3585 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [0,0,1,1,0,0|0,0,2]=4 3586 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,0,1,1,0,0|1,0,1]=4 3587 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,0,1,1,0,0|1,0,1]=4 3588 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,1,1,0,0|0,0,2]=4 3589 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,1,1,0,0|1,0,1]=4 3590 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,1,1,0,0|1,0,1]=4 3591 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,0,1,1,0,0|1,0,1]=4 3592 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [0,0,1,1,0,0|0,0,2]=4 3593 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,0,1,1,0,0|1,0,1]=4 3594 B9R1.23 C=Cc1cc(c(s1)C)C 271570a_100011290941_100009850898 [0,0,1,1,0,0|1,1,0]=4 3595 B9R1.23 C=Cc1nc(c(s1)C)C 271570a_100011290941_100000765934 [0,0,1,1,0,0|0,1,1]=4 3596 B9R1.22 C=Cc1nc(sc1C)C 271570a_100011290941_100010270876 [0,0,1,1,0,0|0,1,1]=4 3597 B9R1.22 C=Cc1nc(sc1C)N 271570a_100011290941_100009817509 [0,0,1,1,0,0|1,1,0]=4 3598 B9R1.33 C=C=Cc1nc[nH]c1C 271570a_100015277604_100009816806 [0,0,1,1,0,0|1,0,1]=4 3599 B9R1.33 C=C=Cc1ncsc1C 271570a_100015277604_100000732656 [0,0,1,1,0,0|0,1,1]=4 3600 B9R1.33 CC=Cc1nc[nH]c1C 271570a_100016259895_100009816806 [0,0,1,1,0,0|1,0,1]=4 3601 B9R1.33 CC=Cc1ncsc1C 271570a_100016259895_100000732656 [0,0,1,1,0,0|0,1,1]=4 3602 B11R2.10 CN1Cc2cccnc2C1 269982a_100000726175_200000210301 [0,0,0,1,0,1|2,0,0]=4 3603 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [0,0,0,1,0,1|0,0,2]=4 3604 B11R2.10 Oc1nc2cccnc2s1 271570a_203496583355_100010188088 [0,0,0,1,0,1|1,0,1]=4 3605 B11R2.10 [13CH3]N1Cc2cccnc2C1 269982a_100000726175_200025704644 [0,0,0,1,0,1|2,0,0]=4 3606 B11R2.238 c1ccc(nc1)SC2CC2 62a_100011216584_100000211595 [0,0,0,1,0,1|1,0,1]=4 3607 B11R2.34 Brc1ccc(nc1)C2CC2 271570a_100011220607_100000686858 [0,1,0,1,0,0|1,0,1]=4 3608 B11R2.34 Cc1ccc(nc1)C2CC2 271570a_100011220607_100000754016 [0,1,0,1,0,0|1,0,1]=4 3609 B11R2.34 Clc1ccc(nc1)C2CC2 271570a_100011220607_100011356976 [0,1,0,1,0,0|1,0,1]=4 3610 B11R2.34 Fc1ccc(nc1)C2CC2 271570a_100011220607_100000744514 [0,1,0,1,0,0|1,0,1]=4 3611 B11R2.34 Nc1ccc(nc1)C2CC2 271570a_100011220607_100000744251 [0,1,0,1,0,0|1,0,1]=4 3612 B11R2.34 Oc1ccc(nc1)C2CC2 271570a_100011220607_100000685995 [0,1,0,1,0,0|1,0,1]=4 3613 B11R2.34 Oc1ccc(nc1)C2CC2 271570a_203496583355_100009850895 [0,1,0,1,0,0|1,0,1]=4 3614 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [0,1,0,1,0,0|0,0,2]=4 3615 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [0,1,0,1,0,0|0,0,2]=4 3616 B11R2.1 Oc1csc2c1nccc2 271570a_203496583355_100010247092 [0,1,0,1,0,0|0,0,2]=4 3617 B11R2.1 Oc1n[nH]c2c1nccc2 271570a_203496583355_100009817118 [0,1,0,1,0,0|1,0,1]=4 3618 B11R2.55 Brc1cccnc1C2CC2 271570a_100011220607_100000696092 [0,1,0,1,0,0|1,0,1]=4 3619 B11R2.55 Cc1cccnc1C2CC2 271570a_100011220607_100000751373 [0,1,0,1,0,0|1,0,1]=4 3620 B11R2.55 Clc1cccnc1C2CC2 271570a_100011220607_100011356963 [0,1,0,1,0,0|1,0,1]=4 3621 B11R2.55 Fc1cccnc1C2CC2 271570a_100011220607_100000685392 [0,1,0,1,0,0|1,0,1]=4 3622 B11R2.55 Nc1cccnc1C2CC2 271570a_100011220607_100000688686 [0,1,0,1,0,0|1,0,1]=4 3623 B11R2.55 Oc1cccnc1C2CC2 271570a_100011220607_100000034122 [0,1,0,1,0,0|1,0,1]=4 3624 B11R2.35 Brc1cccc(n1)C2CC2 271570a_100011220607_100000684672 [0,1,0,1,0,0|1,0,1]=4 3625 B11R2.35 Cc1cccc(n1)C2CC2 271570a_100011220607_100000742759 [0,1,0,1,0,0|1,0,1]=4 3626 B11R2.35 Cc1ccnc(c1)C2CC2 271570a_100011220607_100000750283 [0,1,0,1,0,0|1,0,1]=4 3627 B11R2.35 Clc1ccnc(c1)C2CC2 271570a_100011220607_100010167805 [0,1,0,1,0,0|1,0,1]=4 3628 B11R2.35 Fc1cccc(n1)C2CC2 271570a_100011220607_100009815982 [0,1,0,1,0,0|1,0,1]=4 3629 B11R2.35 Fc1ccnc(c1)C2CC2 271570a_100011220607_100009817058 [0,1,0,1,0,0|1,0,1]=4 3630 B11R2.35 Nc1cccc(n1)C2CC2 271570a_100011220607_100000740741 [0,1,0,1,0,0|1,0,1]=4 3631 B11R2.35 Nc1ccnc(c1)C2CC2 271570a_100011220607_100009814236 [0,1,0,1,0,0|1,0,1]=4 3632 B11R2.35 Oc1ccnc(c1)C2CC2 271570a_100011220607_100000762945 [0,1,0,1,0,0|1,0,1]=4 3633 B11R2.35 Oc1ccnc(c1)C2CC2 271570a_203496583355_100009820009 [0,1,0,1,0,0|1,0,1]=4 3634 B7R1.1 C=Cc1c[nH]cn1 271570a_100011290941_100000756875 [1,0,0,0,1,0|1,0,1]=4 3635 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [1,0,0,0,1,0|1,0,1]=4 3636 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [1,0,0,0,1,0|1,0,1]=4 3637 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,0,0,0,1,0|1,0,1]=4 3638 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [1,0,0,0,1,0|1,0,1]=4 3639 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [1,0,0,0,1,0|1,0,1]=4 3640 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [1,0,0,0,1,0|1,0,1]=4 3641 B7R1.1 C=Cc1cscn1 271570a_100011290941_100000751502 [1,0,0,0,1,0|1,0,1]=4 3642 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [1,0,0,0,1,0|1,0,1]=4 3643 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [1,0,0,0,1,0|1,0,1]=4 3644 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [1,0,0,0,1,0|1,0,1]=4 3645 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [1,0,0,0,1,0|2,0,0]=4 3646 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [1,0,0,0,1,0|2,0,0]=4 3647 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [1,0,0,0,1,0|2,0,0]=4 3648 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [1,0,0,0,1,0|2,0,0]=4 3649 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [1,0,0,0,1,0|2,0,0]=4 3650 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [1,0,0,0,1,0|2,0,0]=4 3651 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,0,0,0,1,0|2,0,0]=4 3652 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,0,0,0,1,0|2,0,0]=4 3653 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,0,0,0,1,0|2,0,0]=4 3654 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,0,0,0,1,0|2,0,0]=4 3655 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [1,0,0,0,1,0|2,0,0]=4 3656 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [1,0,0,0,1,0|2,0,0]=4 3657 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [1,0,0,0,1,0|2,0,0]=4 3658 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [1,0,0,0,1,0|2,0,0]=4 3659 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [1,0,0,0,1,0|2,0,0]=4 3660 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [1,0,0,0,1,0|2,0,0]=4 3661 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [1,0,0,0,1,0|2,0,0]=4 3662 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [1,0,0,0,1,0|2,0,0]=4 3663 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [1,0,0,0,1,0|2,0,0]=4 3664 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [1,0,0,0,1,0|2,0,0]=4 3665 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [1,0,0,0,1,0|2,0,0]=4 3666 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [1,0,0,0,1,0|2,0,0]=4 3667 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [1,0,0,0,1,0|2,0,0]=4 3668 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [1,0,0,0,1,0|2,0,0]=4 3669 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [1,0,0,0,1,0|2,0,0]=4 3670 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [1,0,0,0,1,0|2,0,0]=4 3671 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [1,0,0,0,1,0|2,0,0]=4 3672 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [1,0,0,0,1,0|2,0,0]=4 3673 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [1,0,0,0,1,0|2,0,0]=4 3674 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [1,0,0,0,1,0|2,0,0]=4 3675 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [1,0,0,0,1,0|2,0,0]=4 3676 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [1,0,0,0,1,0|2,0,0]=4 3677 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,0,0,0,1,0|2,0,0]=4 3678 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,0,0,0,1,0|2,0,0]=4 3679 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,0,0,0,1,0|2,0,0]=4 3680 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,0,0,0,1,0|2,0,0]=4 3681 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [1,0,0,0,1,0|2,0,0]=4 3682 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [1,0,0,0,1,0|2,0,0]=4 3683 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [1,0,0,0,1,0|2,0,0]=4 3684 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [1,0,0,0,1,0|2,0,0]=4 3685 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [1,0,0,0,1,0|2,0,0]=4 3686 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [1,0,0,0,1,0|2,0,0]=4 3687 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [1,0,0,0,1,0|2,0,0]=4 3688 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [1,0,0,0,1,0|2,0,0]=4 3689 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [1,0,0,0,1,0|2,0,0]=4 3690 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [1,0,0,0,1,0|2,0,0]=4 3691 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [1,0,0,0,1,0|2,0,0]=4 3692 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [1,0,0,0,1,0|2,0,0]=4 3693 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [1,0,0,0,1,0|2,0,0]=4 3694 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [1,0,0,0,1,0|2,0,0]=4 3695 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [1,0,0,0,1,0|2,0,0]=4 3696 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [1,0,0,0,1,0|2,0,0]=4 3697 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,0,0,0,0,2|2,0,0]=4 3698 B11R1.91 C=C(C)CNc1cccnn1 27a_100000765925_100016991348 [0,0,0,0,0,2|2,0,0]=4 3699 B11R1.91 C=C(C)CNc1ccncn1 27a_100000765925_100000703185 [0,0,0,0,0,2|2,0,0]=4 3700 B11R1.91 C=C(C)CNc1cnccn1 27a_100000765925_100000211759 [0,0,0,0,0,2|2,0,0]=4 3701 B11R1.91 C=C(C)CNc1ncccn1 27a_100000765925_100000211032 [0,0,0,0,0,2|2,0,0]=4 3702 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,0,0,0,0,2|2,0,0]=4 3703 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,0,0,0,0,2|2,0,0]=4 3704 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,0,0,0,0,2|2,0,0]=4 3705 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,0,0,0,0,2|2,0,0]=4 3706 B11R1.91 C=C(C)CSc1ccccn1 62a_100000748629_100011216584 [0,0,0,0,0,2|1,0,0]=3 3707 B11R1.91 C=C(C)CSc1ccccn1 62a_100011216584_100000211660 [0,0,0,0,0,2|1,0,0]=3 3708 B11R1.91 C=C(C)CSc1cccnn1 62a_100000748629_100016991348 [0,0,0,0,0,2|2,0,0]=4 3709 B11R1.91 C=C(C)CSc1cccnn1 62a_100016991348_100000211660 [0,0,0,0,0,2|2,0,0]=4 3710 B11R1.91 C=C(C)CSc1ccncn1 62a_100000703185_100000211660 [0,0,0,0,0,2|2,0,0]=4 3711 B11R1.91 C=C(C)CSc1ccncn1 62a_100000748629_100000703185 [0,0,0,0,0,2|2,0,0]=4 3712 B11R1.91 C=C(C)CSc1cnccn1 62a_100000211759_100000211660 [0,0,0,0,0,2|2,0,0]=4 3713 B11R1.91 C=C(C)CSc1cnccn1 62a_100000748629_100000211759 [0,0,0,0,0,2|2,0,0]=4 3714 B11R1.91 C=C(C)CSc1ncccn1 62a_100000211032_100000211660 [0,0,0,0,0,2|2,0,0]=4 3715 B11R1.91 C=C(C)CSc1ncccn1 62a_100000748629_100000211032 [0,0,0,0,0,2|2,0,0]=4 3716 B11R1.91 C=C(F)CSc1ccccn1 62a_100000042424_100011216584 [0,0,0,0,0,2|1,0,1]=4 3717 B11R1.91 C=C(F)CSc1ccccn1 62a_100011216584_100000042424 [0,0,0,0,0,2|1,0,1]=4 3718 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,0,0,0,0,2|1,0,0]=3 3719 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [0,0,0,0,0,2|0,0,0]=2 3720 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,0,2|1,0,0]=3 3721 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,0,0,0,0,2|0,0,0]=2 3722 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [0,0,0,0,0,2|2,0,0]=4 3723 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [0,0,0,0,0,2|2,0,0]=4 3724 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,0,2|1,0,0]=3 3725 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,0,2|1,0,0]=3 3726 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,0,2|0,0,0]=2 3727 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,0,2|0,0,0]=2 3728 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,0,0,0,0,2|2,0,0]=4 3729 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,0,0,0,0,2|2,0,0]=4 3730 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,0,0,0,0,2|2,0,0]=4 3731 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,0,0,0,0,2|2,0,0]=4 3732 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,0,2|1,0,0]=3 3733 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,0,2|0,0,0]=2 3734 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,0,0,0,0,2|2,0,0]=4 3735 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,0,2|1,0,0]=3 3736 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,0,2|0,0,0]=2 3737 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,0,0,0,0,2|2,0,0]=4 3738 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,0,2|1,0,0]=3 3739 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,0,2|1,0,0]=3 3740 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,0,2|1,0,0]=3 3741 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,0,2|1,0,0]=3 3742 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,0,2|0,0,0]=2 3743 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,0,2|0,0,0]=2 3744 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,0,2|0,0,0]=2 3745 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,0,2|0,0,0]=2 3746 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,0,0,0,2|2,0,0]=4 3747 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,0,0,0,2|2,0,0]=4 3748 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,0,0,0,2|2,0,0]=4 3749 B11R1.91 CC(=O)NCc1cccnn1 11a_100159270163_100015343762 [0,0,0,0,0,2|1,0,0]=3 3750 B11R1.91 CC(=O)NCc1cccnn1 240690a_100159270163_100015343762 [0,0,0,0,0,2|1,0,0]=3 3751 B11R1.91 CC(=O)NCc1cccnn1 527a_100159270163_100103153847 [0,0,0,0,0,2|1,0,0]=3 3752 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,0,0,0,0,2|2,0,0]=4 3753 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,0,0,0,0,2|2,0,0]=4 3754 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,0,0,0,0,2|2,0,0]=4 3755 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,0,0,0,0,2|2,0,0]=4 3756 B11R1.91 CC(=O)NCc1ccncn1 11a_100000736019_100015343762 [0,0,0,0,0,2|1,0,0]=3 3757 B11R1.91 CC(=O)NCc1ccncn1 240690a_100000736019_100015343762 [0,0,0,0,0,2|1,0,0]=3 3758 B11R1.91 CC(=O)NCc1ccncn1 527a_100000736019_100103153847 [0,0,0,0,0,2|1,0,0]=3 3759 B11R1.91 CC(=O)NCc1cnccn1 11a_100000737960_100015343762 [0,0,0,0,0,2|1,0,0]=3 3760 B11R1.91 CC(=O)NCc1cnccn1 240690a_100000737960_100015343762 [0,0,0,0,0,2|1,0,0]=3 3761 B11R1.91 CC(=O)NCc1cnccn1 527a_100000737960_100103153847 [0,0,0,0,0,2|1,0,0]=3 3762 B11R1.91 CC(=O)NCc1ncccn1 11a_100015189908_100015343762 [0,0,0,0,0,2|1,0,0]=3 3763 B11R1.91 CC(=O)NCc1ncccn1 240690a_100015189908_100015343762 [0,0,0,0,0,2|1,0,0]=3 3764 B11R1.91 CC(=O)NCc1ncccn1 527a_100015189908_100103153847 [0,0,0,0,0,2|1,0,0]=3 3765 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,0,0,0,2|1,0,0]=3 3766 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,0,0,0,0,2|0,0,0]=2 3767 B11R1.91 CC(=O)NNc1cccnc1 22a_100000728903_100000070787 [0,0,0,0,0,2|2,0,0]=4 3768 B11R1.91 CC(=O)NNc1cccnn1 22a_100000757824_100000070787 [0,0,0,0,0,2|1,0,0]=3 3769 B11R1.91 CC(=O)NNc1ccncc1 22a_100000698918_100000070787 [0,0,0,0,0,2|2,0,0]=4 3770 B11R1.91 CC(=O)NNc1ccncn1 22a_100011438088_100000070787 [0,0,0,0,0,2|1,0,0]=3 3771 B11R1.91 CC(=O)NNc1cnccn1 22a_100000736894_100000070787 [0,0,0,0,0,2|1,0,0]=3 3772 B11R1.91 CC(=O)NNc1ncccn1 22a_100000736892_100000070787 [0,0,0,0,0,2|1,0,0]=3 3773 B11R1.91 CC(C)C=Cc1ccccn1 271570a_100016257149_100011216584 [0,0,0,0,0,2|1,0,1]=4 3774 B11R1.91 CC(C)CSc1ccccn1 62a_100000210624_100011216584 [0,0,0,0,0,2|1,0,1]=4 3775 B11R1.91 CC(C)CSc1ccccn1 62a_100011216584_100000210760 [0,0,0,0,0,2|1,0,1]=4 3776 B11R1.91 CC(C)NCc1ccccn1 207a_100138425928_100000209966 [0,0,0,0,0,2|1,0,1]=4 3777 B11R1.91 CC(C)NCc1ccccn1 2230a_100138425928_100000721315 [0,0,0,0,0,2|1,0,1]=4 3778 B11R1.91 CC(C)NCc1ccccn1 34a_100138425928_100000721315 [0,0,0,0,0,2|1,0,1]=4 3779 B11R1.91 CC(C)OCc1ccccn1 34a_100000212225_100000721315 [0,0,0,0,0,2|1,0,1]=4 3780 B11R1.91 CC(C)SCc1ccccn1 62a_100000210206_100000721315 [0,0,0,0,0,2|1,0,1]=4 3781 B11R1.91 CC(C)SCc1ccccn1 62a_100000721315_100000210206 [0,0,0,0,0,2|1,0,1]=4 3782 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [0,0,0,0,0,2|0,0,2]=4 3783 B11R1.91 CC(O)CSc1ccccn1 62a_100011216584_100011218427 [0,0,0,0,0,2|0,0,2]=4 3784 B11R1.91 CC(O)CSc1ccccn1 62a_100011218427_100011216584 [0,0,0,0,0,2|0,0,2]=4 3785 B11R1.91 CN(C)CCc1ccccn1 2230a_100000737206_200000210301 [0,0,0,0,0,2|2,0,0]=4 3786 B11R1.91 CN(C)CCc1ccccn1 2230a_100102631434_100015183660 [0,0,0,0,0,2|2,0,0]=4 3787 B11R1.91 CN(C)CCc1ccccn1 269982a_100000737206_200000210301 [0,0,0,0,0,2|2,0,0]=4 3788 B11R1.91 CN(C)CCc1ccccn1 269982a_100102631434_100015183660 [0,0,0,0,0,2|2,0,0]=4 3789 B11R1.91 CN([13CH3])CCc1ccccn1 2230a_100000737206_200025704644 [0,0,0,0,0,2|2,0,0]=4 3790 B11R1.91 CN([13CH3])CCc1ccccn1 269982a_100000737206_200025704644 [0,0,0,0,0,2|2,0,0]=4 3791 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100009817552_100011216584 [0,0,0,0,0,2|0,0,2]=4 3792 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100011216584_100009817552 [0,0,0,0,0,2|0,0,2]=4 3793 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,0,0,0,0,2|2,0,0]=4 3794 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,0,0,0,0,2|2,0,0]=4 3795 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,0,0,0,0,2|2,0,0]=4 3796 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,0,0,0,0,2|2,0,0]=4 3797 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,0,0,0,0,2|2,0,0]=4 3798 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,0,0,0,0,2|1,0,0]=3 3799 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,0,0,0,0,2|1,0,0]=3 3800 B11R1.91 NC(=O)CSc1cccnn1 62a_100000747473_100016991348 [0,0,0,0,0,2|2,0,0]=4 3801 B11R1.91 NC(=O)CSc1cccnn1 62a_100016991348_100000747473 [0,0,0,0,0,2|2,0,0]=4 3802 B11R1.91 NC(=O)CSc1ccncn1 62a_100000703185_100000747473 [0,0,0,0,0,2|2,0,0]=4 3803 B11R1.91 NC(=O)CSc1ccncn1 62a_100000747473_100000703185 [0,0,0,0,0,2|2,0,0]=4 3804 B11R1.91 NC(=O)CSc1cnccn1 62a_100000211759_100000747473 [0,0,0,0,0,2|2,0,0]=4 3805 B11R1.91 NC(=O)CSc1cnccn1 62a_100000747473_100000211759 [0,0,0,0,0,2|2,0,0]=4 3806 B11R1.91 NC(=O)CSc1ncccn1 62a_100000211032_100000747473 [0,0,0,0,0,2|2,0,0]=4 3807 B11R1.91 NC(=O)CSc1ncccn1 62a_100000747473_100000211032 [0,0,0,0,0,2|2,0,0]=4 3808 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,0,0,0,0,2|2,0,0]=4 3809 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,0,0,0,0,2|2,0,0]=4 3810 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,0,0,0,0,2|2,0,0]=4 3811 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,0,0,0,0,2|2,0,0]=4 3812 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,0,0,0,0,2|1,0,0]=3 3813 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,0,0,0,0,2|1,0,0]=3 3814 B11R1.91 O=C([O-])CSc1cccnn1 62a_100016991348_100020667443 [0,0,0,0,0,2|2,0,0]=4 3815 B11R1.91 O=C([O-])CSc1cccnn1 62a_100020667443_100016991348 [0,0,0,0,0,2|2,0,0]=4 3816 B11R1.91 O=C([O-])CSc1ccncn1 62a_100000703185_100020667443 [0,0,0,0,0,2|2,0,0]=4 3817 B11R1.91 O=C([O-])CSc1ccncn1 62a_100020667443_100000703185 [0,0,0,0,0,2|2,0,0]=4 3818 B11R1.91 O=C([O-])CSc1cnccn1 62a_100000211759_100020667443 [0,0,0,0,0,2|2,0,0]=4 3819 B11R1.91 O=C([O-])CSc1cnccn1 62a_100020667443_100000211759 [0,0,0,0,0,2|2,0,0]=4 3820 B11R1.91 O=C([O-])CSc1ncccn1 62a_100000211032_100020667443 [0,0,0,0,0,2|2,0,0]=4 3821 B11R1.91 O=C([O-])CSc1ncccn1 62a_100020667443_100000211032 [0,0,0,0,0,2|2,0,0]=4 3822 B11R1.91 O=[N+]([O-])CSc1ccccn1 62a_100011216584_100000761209 [0,0,0,0,0,2|2,0,0]=4 3823 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,0,0,0,0,2|1,0,0]=3 3824 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [0,0,0,0,0,2|0,0,0]=2 3825 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,0,2|1,0,0]=3 3826 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,0,0,0,0,2|0,0,0]=2 3827 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [0,0,0,0,0,2|2,0,0]=4 3828 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [0,0,0,0,0,2|2,0,0]=4 3829 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,0,2|1,0,0]=3 3830 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,0,2|0,0,0]=2 3831 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,0,0,0,0,2|2,0,0]=4 3832 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,0,0,0,0,2|2,0,0]=4 3833 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,0,2|1,0,0]=3 3834 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,0,2|0,0,0]=2 3835 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,0,0,0,0,2|2,0,0]=4 3836 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,0,2|1,0,0]=3 3837 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,0,2|0,0,0]=2 3838 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,0,0,0,0,2|2,0,0]=4