0 B12R1.27 C#CC(=O)NCc1ccccc1 WXVL_AK00502SB0338 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.27 C#CC(=O)NCc1ccccc1 WXVL_AK00502SB0338 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.27 CCC(=O)NCc1ccccn1 WXVL_AK0018SB0064 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.27 CCC(=O)NCc1ccccn1 WXVL_AK0018SB0064 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.27 CCC(=O)NCc1cccnc1 WXVL_AK0020SB0064 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.27 CCC(=O)NCc1cccnc1 WXVL_AK0020SB0064 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.27 CCC(=O)NCc1ccncc1 WXVL_AK0021SB0064 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.27 CCC(=O)NCc1ccncc1 WXVL_AK0021SB0064 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.27 CNC(=O)/C=C/c1ccccc1 WXVL_AK00442SB0115 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.27 CNC(=O)/C=C/c1ccccc1 WXVL_AK00442SB0115 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.27 CNC(=O)/C=C/c1cccnc1 WXVL_AK00442SA0193 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.27 CNC(=O)/C=C/c1cccnc1 WXVL_AK00442SA0193 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.27 CNC(=O)/C=C/c1cnccn1 WXVL_AK00442SA2885 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.27 CNC(=O)/C=C/c1cnccn1 WXVL_AK00442SA2885 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.27 CNC(=O)C#Cc1ccccc1 WXVL_AK00442SB0114 [0,0,0,0,0,0|1,0,2]=3 17 B12R1.27 CNC(=O)C#Cc1ccccc1 WXVL_AK00442SB0114 [0,0,0,0,0,0|1,0,2]=3 18 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [0,0,0,0,0,0|1,0,2]=3 19 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [0,0,0,0,0,0|1,0,2]=3 20 B12R1.27 CNC(=O)CCc1ccccn1 WXVL_AK00442SA0316 [0,0,0,0,0,0|2,0,2]=4 21 B12R1.27 CNC(=O)CCc1ccccn1 WXVL_AK00442SA0316 [0,0,0,0,0,0|2,0,2]=4 22 B12R1.27 CNC(=O)CCc1cccnc1 WXVL_AK00442SA0031 [0,0,0,0,0,0|2,0,2]=4 23 B12R1.27 CNC(=O)CCc1cccnc1 WXVL_AK00442SA0031 [0,0,0,0,0,0|2,0,2]=4 24 B12R1.27 CNC(=O)COc1ccccc1 WXVL_AK00442SB0086 [0,0,0,0,0,0|2,0,1]=3 25 B12R1.27 CNC(=O)COc1ccccc1 WXVL_AK00442SB0086 [0,0,0,0,0,0|2,0,1]=3 26 B12R1.27 CNC(=O)COc1cccnc1 WXVL_AK00442SA0051 [0,0,0,0,0,0|3,0,1]=4 27 B12R1.27 CNC(=O)COc1cccnc1 WXVL_AK00442SA0051 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.27 CNC(=O)CSc1ccccc1 WXVL_AK00442SB0113 [0,0,0,0,0,0|2,0,1]=3 29 B12R1.27 CNC(=O)CSc1ccccc1 WXVL_AK00442SB0113 [0,0,0,0,0,0|2,0,1]=3 30 B12R1.27 CNC(=O)CSc1ccncc1 WXVL_AK00442SA0055 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.27 CNC(=O)CSc1ccncc1 WXVL_AK00442SA0055 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.27 O=C(CO)NCc1ccccc1 WXVL_AK00502SB2706 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.27 O=C(CO)NCc1ccccc1 WXVL_AK00502SB2706 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [1,0,0,0,0,0|1,0,1]=3 35 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [1,0,0,0,0,0|1,0,1]=3 36 B11R1.91 CC(=O)NCc1ccccn1 WXVL_AK0018SB0150 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.91 CC(=O)NCc1ccccn1 WXVL_AK0018SB0150 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.91 CC(=O)NCc1cccnc1 WXVL_AK0020SB0150 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.91 CC(=O)NCc1cccnc1 WXVL_AK0020SB0150 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.91 CC(=O)NCc1ccncc1 WXVL_AK0021SB0150 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.91 CC(=O)NCc1ccncc1 WXVL_AK0021SB0150 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.91 NC(=O)/C=C/c1ccccc1 WXVL_AK0084SB0115 [1,0,0,0,0,0|1,0,0]=2 43 B11R1.91 NC(=O)/C=C/c1ccccc1 WXVL_AK0084SB0115 [1,0,0,0,0,0|1,0,0]=2 44 B11R1.91 NC(=O)/C=C/c1cccnc1 WXVL_AK0084SA0193 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.91 NC(=O)/C=C/c1cccnc1 WXVL_AK0084SA0193 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.91 NC(=O)/C=C/c1cnccn1 WXVL_AK0084SA2885 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.91 NC(=O)/C=C/c1cnccn1 WXVL_AK0084SA2885 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.91 NC(=O)C#Cc1ccccc1 WXVL_AK0084SB0114 [1,0,0,0,0,0|1,0,2]=4 49 B11R1.91 NC(=O)C#Cc1ccccc1 WXVL_AK0084SB0114 [1,0,0,0,0,0|1,0,2]=4 50 B11R1.91 NC(=O)CCc1ccccc1 WXVL_AK0084SB0067 [1,0,0,0,0,0|1,0,2]=4 51 B11R1.91 NC(=O)CCc1ccccc1 WXVL_AK0084SB0067 [1,0,0,0,0,0|1,0,2]=4 52 B11R1.91 NC(=O)COc1ccccc1 WXVL_AK0084SB0086 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.91 NC(=O)COc1ccccc1 WXVL_AK0084SB0086 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.91 NC(=O)CSc1ccccc1 WXVL_AK0084SB0113 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.91 NC(=O)CSc1ccccc1 WXVL_AK0084SB0113 [1,0,0,0,0,0|2,0,1]=4 56 B13R1.11 CNC(=O)CC(C)c1ccccc1 WXVL_AK00442SB0419 [0,1,0,0,0,0|1,0,2]=4 57 B13R1.11 CNC(=O)CC(C)c1ccccc1 WXVL_AK00442SB0419 [0,1,0,0,0,0|1,0,2]=4 58 B13R1.11 CNC(=O)CC(O)c1ccccc1 WXVL_AK00442SB2325 [0,1,0,0,0,0|1,0,2]=4 59 B13R1.11 CNC(=O)CC(O)c1ccccc1 WXVL_AK00442SB2325 [0,1,0,0,0,0|1,0,2]=4 60 B13R1.11 CNC(=O)NC(=O)c1ccccc1 WXVL_AK00442YV0027 [0,1,0,0,0,0|2,0,0]=3 61 B13R1.11 CNC(=O)NC(=O)c1ccccc1 WXVL_AK00442YV0027 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.11 CNC(=O)N[C@@H](C)c1ccccc1 WXVL_AK00442YV0029 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.11 CNC(=O)N[C@@H](C)c1ccccc1 WXVL_AK00442YV0029 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 WXVL_AK00442YV0061 [0,1,0,0,0,0|2,0,1]=4 65 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 WXVL_AK00442YV0061 [0,1,0,0,0,0|2,0,1]=4 66 B13R1.14 CCC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0064 [0,1,0,0,0,0|2,0,1]=4 67 B13R1.14 CCC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0064 [0,1,0,0,0,0|2,0,1]=4 68 B13R1.14 CCC(=O)NCc1ccc(cc1)C WXVL_AK0048SB0064 [0,1,0,0,0,0|2,0,1]=4 69 B13R1.14 CCC(=O)NCc1ccc(cc1)C WXVL_AK0048SB0064 [0,1,0,0,0,0|2,0,1]=4 70 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0064 [0,1,0,0,0,0|2,0,1]=4 71 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0064 [0,1,0,0,0,0|2,0,1]=4 72 B13R1.14 CCC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0064 [0,1,0,0,0,0|2,0,1]=4 73 B13R1.14 CCC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0064 [0,1,0,0,0,0|2,0,1]=4 74 B13R1.14 CCC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0064 [0,1,0,0,0,0|2,0,1]=4 75 B13R1.14 CCC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0064 [0,1,0,0,0,0|2,0,1]=4 76 B13R1.14 CCC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0064 [0,1,0,0,0,0|2,0,1]=4 77 B13R1.14 CCC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0064 [0,1,0,0,0,0|2,0,1]=4 78 B13R1.14 CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00442SB0418 [0,1,0,0,0,0|1,0,0]=2 79 B13R1.14 CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00442SB0418 [0,1,0,0,0,0|1,0,0]=2 80 B13R1.14 CNC(=O)C#Cc1ccc(cc1)Cl WXVL_AK00442SB3517 [0,1,0,0,0,0|1,0,2]=4 81 B13R1.14 CNC(=O)C#Cc1ccc(cc1)Cl WXVL_AK00442SB3517 [0,1,0,0,0,0|1,0,2]=4 82 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00442SB1122 [0,1,0,0,0,0|1,0,0]=2 83 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00442SB1122 [0,1,0,0,0,0|1,0,0]=2 84 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C WXVL_AK00442SB0060 [0,1,0,0,0,0|1,0,0]=2 85 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C WXVL_AK00442SB0060 [0,1,0,0,0,0|1,0,0]=2 86 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00442SB0119 [0,1,0,0,0,0|1,0,0]=2 87 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00442SB0119 [0,1,0,0,0,0|1,0,0]=2 88 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00442SB1186 [0,1,0,0,0,0|1,0,0]=2 89 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00442SB1186 [0,1,0,0,0,0|1,0,0]=2 90 B13R1.14 CNC(=O)CCc1ccc(cc1)Br WXVL_AK00442SB1166 [0,1,0,0,0,0|1,0,2]=4 91 B13R1.14 CNC(=O)CCc1ccc(cc1)Br WXVL_AK00442SB1166 [0,1,0,0,0,0|1,0,2]=4 92 B13R1.14 CNC(=O)CCc1ccc(cc1)C WXVL_AK00442SB0421 [0,1,0,0,0,0|1,0,2]=4 93 B13R1.14 CNC(=O)CCc1ccc(cc1)C WXVL_AK00442SB0421 [0,1,0,0,0,0|1,0,2]=4 94 B13R1.14 CNC(=O)CCc1ccc(cc1)F WXVL_AK00442SB1123 [0,1,0,0,0,0|1,0,2]=4 95 B13R1.14 CNC(=O)CCc1ccc(cc1)F WXVL_AK00442SB1123 [0,1,0,0,0,0|1,0,2]=4 96 B13R1.14 CNC(=O)CCc1ccc(cc1)O WXVL_AK00442SB2324 [0,1,0,0,0,0|1,0,2]=4 97 B13R1.14 CNC(=O)CCc1ccc(cc1)O WXVL_AK00442SB2324 [0,1,0,0,0,0|1,0,2]=4 98 B13R1.14 CNC(=O)COc1ccc(cc1)C WXVL_AK00442SB0138 [0,1,0,0,0,0|2,0,1]=4 99 B13R1.14 CNC(=O)COc1ccc(cc1)C WXVL_AK00442SB0138 [0,1,0,0,0,0|2,0,1]=4 100 B13R1.14 CNC(=O)COc1ccc(cc1)F WXVL_AK00442SB0088 [0,1,0,0,0,0|2,0,1]=4 101 B13R1.14 CNC(=O)COc1ccc(cc1)F WXVL_AK00442SB0088 [0,1,0,0,0,0|2,0,1]=4 102 B13R1.14 CNC(=O)COc1ccc(cc1)O WXVL_AK00442SB3388 [0,1,0,0,0,0|2,0,1]=4 103 B13R1.14 CNC(=O)COc1ccc(cc1)O WXVL_AK00442SB3388 [0,1,0,0,0,0|2,0,1]=4 104 B13R1.14 CNC(=O)CSc1ccc(cc1)C WXVL_AK00442SB0830 [0,1,0,0,0,0|2,0,1]=4 105 B13R1.14 CNC(=O)CSc1ccc(cc1)C WXVL_AK00442SB0830 [0,1,0,0,0,0|2,0,1]=4 106 B13R1.14 CNC(=O)NCc1ccc(cc1)C WXVL_AK00442YV0067 [0,1,0,0,0,0|2,0,1]=4 107 B13R1.14 CNC(=O)NCc1ccc(cc1)C WXVL_AK00442YV0067 [0,1,0,0,0,0|2,0,1]=4 108 B13R1.15 CCC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0064 [0,1,0,0,0,0|2,0,1]=4 109 B13R1.15 CCC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0064 [0,1,0,0,0,0|2,0,1]=4 110 B13R1.15 CCC(=O)NCc1cccc(c1)C WXVL_AK0045SB0064 [0,1,0,0,0,0|2,0,1]=4 111 B13R1.15 CCC(=O)NCc1cccc(c1)C WXVL_AK0045SB0064 [0,1,0,0,0,0|2,0,1]=4 112 B13R1.15 CCC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0064 [0,1,0,0,0,0|2,0,1]=4 113 B13R1.15 CCC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0064 [0,1,0,0,0,0|2,0,1]=4 114 B13R1.15 CCC(=O)NCc1cccc(c1)F WXVL_AK0041SB0064 [0,1,0,0,0,0|2,0,1]=4 115 B13R1.15 CCC(=O)NCc1cccc(c1)F WXVL_AK0041SB0064 [0,1,0,0,0,0|2,0,1]=4 116 B13R1.15 CCC(=O)NCc1cccc(c1)I WXVL_AK1572SB0064 [0,1,0,0,0,0|2,0,1]=4 117 B13R1.15 CCC(=O)NCc1cccc(c1)I WXVL_AK1572SB0064 [0,1,0,0,0,0|2,0,1]=4 118 B13R1.15 CCC(=O)NCc1cccc(c1)O WXVL_AK0974SB0064 [0,1,0,0,0,0|2,0,1]=4 119 B13R1.15 CCC(=O)NCc1cccc(c1)O WXVL_AK0974SB0064 [0,1,0,0,0,0|2,0,1]=4 120 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00442SB1601 [0,1,0,0,0,0|1,0,0]=2 121 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00442SB1601 [0,1,0,0,0,0|1,0,0]=2 122 B13R1.15 CNC(=O)C=Cc1cccc(c1)O WXVL_AK00442SB0417 [0,1,0,0,0,0|1,0,0]=2 123 B13R1.15 CNC(=O)C=Cc1cccc(c1)O WXVL_AK00442SB0417 [0,1,0,0,0,0|1,0,0]=2 124 B13R1.15 CNC(=O)CCc1cccc(c1)Br WXVL_AK00442SB0278 [0,1,0,0,0,0|1,0,2]=4 125 B13R1.15 CNC(=O)CCc1cccc(c1)Br WXVL_AK00442SB0278 [0,1,0,0,0,0|1,0,2]=4 126 B13R1.15 CNC(=O)CCc1cccc(c1)C WXVL_AK00442SB1394 [0,1,0,0,0,0|1,0,2]=4 127 B13R1.15 CNC(=O)CCc1cccc(c1)C WXVL_AK00442SB1394 [0,1,0,0,0,0|1,0,2]=4 128 B13R1.15 CNC(=O)CCc1cccc(c1)O WXVL_AK00442SB3088 [0,1,0,0,0,0|1,0,2]=4 129 B13R1.15 CNC(=O)CCc1cccc(c1)O WXVL_AK00442SB3088 [0,1,0,0,0,0|1,0,2]=4 130 B13R1.15 CNC(=O)COc1cccc(c1)Cl WXVL_AK00442SB0493 [0,1,0,0,0,0|2,0,1]=4 131 B13R1.15 CNC(=O)COc1cccc(c1)Cl WXVL_AK00442SB0493 [0,1,0,0,0,0|2,0,1]=4 132 B13R1.15 CNC(=O)NCc1cccc(c1)C WXVL_AK00442YV0178 [0,1,0,0,0,0|2,0,1]=4 133 B13R1.15 CNC(=O)NCc1cccc(c1)C WXVL_AK00442YV0178 [0,1,0,0,0,0|2,0,1]=4 134 B13R1.15 CNC(=O)NCc1cccc(c1)F WXVL_AK00442YV0073 [0,1,0,0,0,0|2,0,1]=4 135 B13R1.15 CNC(=O)NCc1cccc(c1)F WXVL_AK00442YV0073 [0,1,0,0,0,0|2,0,1]=4 136 B13R1.42 C/C=C/C(=O)NCc1ccccc1 WXVL_AK00502SB0340 [0,1,0,0,0,0|2,0,1]=4 137 B13R1.42 C/C=C/C(=O)NCc1ccccc1 WXVL_AK00502SB0340 [0,1,0,0,0,0|2,0,1]=4 138 B13R1.42 CC#CC(=O)NCc1ccccc1 WXVL_AK00502SB1240 [0,1,0,0,0,0|2,0,1]=4 139 B13R1.42 CC#CC(=O)NCc1ccccc1 WXVL_AK00502SB1240 [0,1,0,0,0,0|2,0,1]=4 140 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [0,1,0,0,0,0|2,0,1]=4 141 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [0,1,0,0,0,0|2,0,1]=4 142 B13R1.42 CCNC(=O)/C=C/c1ccccc1 WXVL_AK00476SB0115 [0,1,0,0,0,0|1,0,0]=2 143 B13R1.42 CCNC(=O)/C=C/c1ccccc1 WXVL_AK00476SB0115 [0,1,0,0,0,0|1,0,0]=2 144 B13R1.42 CCNC(=O)/C=C/c1cccnc1 WXVL_AK00476SA0193 [0,1,0,0,0,0|2,0,0]=3 145 B13R1.42 CCNC(=O)/C=C/c1cccnc1 WXVL_AK00476SA0193 [0,1,0,0,0,0|2,0,0]=3 146 B13R1.42 CCNC(=O)/C=C/c1cnccn1 WXVL_AK00476SA2885 [0,1,0,0,0,0|3,0,0]=4 147 B13R1.42 CCNC(=O)/C=C/c1cnccn1 WXVL_AK00476SA2885 [0,1,0,0,0,0|3,0,0]=4 148 B13R1.42 CCNC(=O)C#Cc1ccccc1 WXVL_AK00476SB0114 [0,1,0,0,0,0|1,0,2]=4 149 B13R1.42 CCNC(=O)C#Cc1ccccc1 WXVL_AK00476SB0114 [0,1,0,0,0,0|1,0,2]=4 150 B13R1.42 CCNC(=O)CCc1ccccc1 WXVL_AK00476SB0067 [0,1,0,0,0,0|1,0,2]=4 151 B13R1.42 CCNC(=O)CCc1ccccc1 WXVL_AK00476SB0067 [0,1,0,0,0,0|1,0,2]=4 152 B13R1.42 CCNC(=O)COc1ccccc1 WXVL_AK00476SB0086 [0,1,0,0,0,0|2,0,1]=4 153 B13R1.42 CCNC(=O)COc1ccccc1 WXVL_AK00476SB0086 [0,1,0,0,0,0|2,0,1]=4 154 B13R1.42 CCNC(=O)CSc1ccccc1 WXVL_AK00476SB0113 [0,1,0,0,0,0|2,0,1]=4 155 B13R1.42 CCNC(=O)CSc1ccccc1 WXVL_AK00476SB0113 [0,1,0,0,0,0|2,0,1]=4 156 B13R1.42 COCC(=O)NCc1ccccc1 WXVL_AK00502SB0090 [0,1,0,0,0,0|1,0,1]=3 157 B13R1.42 COCC(=O)NCc1ccccc1 WXVL_AK00502SB0090 [0,1,0,0,0,0|1,0,1]=3 158 B13R1.42 COCC(=O)NCc1ccccn1 WXVL_AK0018SB0090 [0,1,0,0,0,0|2,0,1]=4 159 B13R1.42 COCC(=O)NCc1ccccn1 WXVL_AK0018SB0090 [0,1,0,0,0,0|2,0,1]=4 160 B13R1.42 COCC(=O)NCc1cccnc1 WXVL_AK0020SB0090 [0,1,0,0,0,0|2,0,1]=4 161 B13R1.42 COCC(=O)NCc1cccnc1 WXVL_AK0020SB0090 [0,1,0,0,0,0|2,0,1]=4 162 B13R1.42 COCC(=O)NCc1ccncc1 WXVL_AK0021SB0090 [0,1,0,0,0,0|2,0,1]=4 163 B13R1.42 COCC(=O)NCc1ccncc1 WXVL_AK0021SB0090 [0,1,0,0,0,0|2,0,1]=4 164 B13R1.42 CSCC(=O)NCc1ccccc1 WXVL_AK00502SB1267 [0,1,0,0,0,0|1,1,1]=4 165 B13R1.42 CSCC(=O)NCc1ccccc1 WXVL_AK00502SB1267 [0,1,0,0,0,0|1,1,1]=4 166 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 WXVL_AG00183SB0343 [0,1,0,0,0,0|3,0,0]=4 167 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 WXVL_AG00183SB0343 [0,1,0,0,0,0|3,0,0]=4 168 B13R1.135 C=C(Cc1ccccc1)C(=O)NC WXVL_AK00442SB0413 [0,1,0,0,0,0|1,0,1]=3 169 B13R1.135 C=C(Cc1ccccc1)C(=O)NC WXVL_AK00442SB0413 [0,1,0,0,0,0|1,0,1]=3 170 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB0344 [0,1,0,0,0,0|2,0,0]=3 171 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB0344 [0,1,0,0,0,0|2,0,0]=3 172 B13R1.135 CCC(=O)C(=O)Nc1ccccn1 WXVL_AF00298SB0344 [0,1,0,0,0,0|3,0,0]=4 173 B13R1.135 CCC(=O)C(=O)Nc1ccccn1 WXVL_AF00298SB0344 [0,1,0,0,0,0|3,0,0]=4 174 B13R1.135 CCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0064 [0,1,0,0,0,0|2,0,1]=4 175 B13R1.135 CCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0064 [0,1,0,0,0,0|2,0,1]=4 176 B13R1.135 CNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00442SA1933 [0,1,0,0,0,0|2,0,0]=3 177 B13R1.135 CNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00442SA1933 [0,1,0,0,0,0|2,0,0]=3 178 B13R1.135 CNC(=O)C(C)Cc1ccccc1 WXVL_AK00442SB3205 [0,1,0,0,0,0|1,0,2]=4 179 B13R1.135 CNC(=O)C(C)Cc1ccccc1 WXVL_AK00442SB3205 [0,1,0,0,0,0|1,0,2]=4 180 B13R1.135 CNC(=O)C(C)Oc1ccccc1 WXVL_AK00442SB0426 [0,1,0,0,0,0|2,0,1]=4 181 B13R1.135 CNC(=O)C(C)Oc1ccccc1 WXVL_AK00442SB0426 [0,1,0,0,0,0|2,0,1]=4 182 B13R1.135 CNC(=O)C(C)Sc1ccccc1 WXVL_AK00442SB9992 [0,1,0,0,0,0|2,0,1]=4 183 B13R1.135 CNC(=O)C(C)Sc1ccccc1 WXVL_AK00442SB9992 [0,1,0,0,0,0|2,0,1]=4 184 B13R1.135 CNC(=O)[C@@H](C)Oc1ccccc1 WXVL_AK00442SB5803 [0,1,0,0,0,0|2,0,1]=4 185 B13R1.135 CNC(=O)[C@@H](C)Oc1ccccc1 WXVL_AK00442SB5803 [0,1,0,0,0,0|2,0,1]=4 186 B13R1.135 CO[C@H](C)C(=O)Nc1ccccc1 WXVL_AG00183SB2926 [0,1,0,0,0,0|2,0,1]=4 187 B13R1.135 CO[C@H](C)C(=O)Nc1ccccc1 WXVL_AG00183SB2926 [0,1,0,0,0,0|2,0,1]=4 188 B13R1.254 CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00442HU0026 [0,1,0,0,0,0|2,0,0]=3 189 B13R1.254 CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00442HU0026 [0,1,0,0,0,0|2,0,0]=3 190 B13R1.351 CC(=O)C(=O)NCc1ccccc1 WXVL_AK00502SB0051 [0,1,0,0,0,0|2,0,1]=4 191 B13R1.351 CC(=O)C(=O)NCc1ccccc1 WXVL_AK00502SB0051 [0,1,0,0,0,0|2,0,1]=4 192 B13R1.351 CC(C)C(=O)NCc1ccccc1 WXVL_AK00502SB0052 [0,1,0,0,0,0|2,0,1]=4 193 B13R1.351 CC(C)C(=O)NCc1ccccc1 WXVL_AK00502SB0052 [0,1,0,0,0,0|2,0,1]=4 194 B13R1.351 CC(S)C(=O)NCc1ccccc1 WXVL_AK00502SB2708 [0,1,0,0,0,0|2,0,1]=4 195 B13R1.351 CC(S)C(=O)NCc1ccccc1 WXVL_AK00502SB2708 [0,1,0,0,0,0|2,0,1]=4 196 B13R1.351 CN(C)C(=O)/C=C/c1ccccc1 WXVL_AN0032SB0115 [0,1,0,0,0,0|1,0,0]=2 197 B13R1.351 CN(C)C(=O)/C=C/c1ccccc1 WXVL_AN0032SB0115 [0,1,0,0,0,0|1,0,0]=2 198 B13R1.351 CN(C)C(=O)/C=C/c1cccnc1 WXVL_AN0032SA0193 [0,1,0,0,0,0|2,0,0]=3 199 B13R1.351 CN(C)C(=O)/C=C/c1cccnc1 WXVL_AN0032SA0193 [0,1,0,0,0,0|2,0,0]=3 200 B13R1.351 CN(C)C(=O)/C=C/c1cnccn1 WXVL_AN0032SA2885 [0,1,0,0,0,0|3,0,0]=4 201 B13R1.351 CN(C)C(=O)/C=C/c1cnccn1 WXVL_AN0032SA2885 [0,1,0,0,0,0|3,0,0]=4 202 B13R1.351 CN(C)C(=O)C#Cc1ccccc1 WXVL_AN0032SB0114 [0,1,0,0,0,0|1,0,2]=4 203 B13R1.351 CN(C)C(=O)C#Cc1ccccc1 WXVL_AN0032SB0114 [0,1,0,0,0,0|1,0,2]=4 204 B13R1.351 CN(C)C(=O)CCc1ccccc1 WXVL_AN0032SB0067 [0,1,0,0,0,0|1,0,2]=4 205 B13R1.351 CN(C)C(=O)CCc1ccccc1 WXVL_AN0032SB0067 [0,1,0,0,0,0|1,0,2]=4 206 B13R1.351 CN(C)C(=O)COc1ccccc1 WXVL_AN0032SB0086 [0,1,0,0,0,0|2,0,1]=4 207 B13R1.351 CN(C)C(=O)COc1ccccc1 WXVL_AN0032SB0086 [0,1,0,0,0,0|2,0,1]=4 208 B13R1.351 CN(C)C(=O)CSc1ccccc1 WXVL_AN0032SB0113 [0,1,0,0,0,0|2,0,1]=4 209 B13R1.351 CN(C)C(=O)CSc1ccccc1 WXVL_AN0032SB0113 [0,1,0,0,0,0|2,0,1]=4 210 B13R1.351 C[C@@H](O)C(=O)NCc1ccccc1 WXVL_AK00502SB1085 [0,1,0,0,0,0|2,0,1]=4 211 B13R1.351 C[C@@H](O)C(=O)NCc1ccccc1 WXVL_AK00502SB1085 [0,1,0,0,0,0|2,0,1]=4 212 B13R1.528 CCC(=O)NCc1ccccc1Br WXVL_AK1632SB0064 [0,1,0,0,0,0|2,0,1]=4 213 B13R1.528 CCC(=O)NCc1ccccc1Br WXVL_AK1632SB0064 [0,1,0,0,0,0|2,0,1]=4 214 B13R1.528 CCC(=O)NCc1ccccc1C WXVL_AK0040SB0064 [0,1,0,0,0,0|2,0,1]=4 215 B13R1.528 CCC(=O)NCc1ccccc1C WXVL_AK0040SB0064 [0,1,0,0,0,0|2,0,1]=4 216 B13R1.528 CCC(=O)NCc1ccccc1Cl WXVL_AK0038SB0064 [0,1,0,0,0,0|2,0,1]=4 217 B13R1.528 CCC(=O)NCc1ccccc1Cl WXVL_AK0038SB0064 [0,1,0,0,0,0|2,0,1]=4 218 B13R1.528 CCC(=O)NCc1ccccc1F WXVL_AK0037SB0064 [0,1,0,0,0,0|2,0,1]=4 219 B13R1.528 CCC(=O)NCc1ccccc1F WXVL_AK0037SB0064 [0,1,0,0,0,0|2,0,1]=4 220 B13R1.528 CCC(=O)NCc1ccccc1I WXVL_AK3923SB0064 [0,1,0,0,0,0|2,0,1]=4 221 B13R1.528 CCC(=O)NCc1ccccc1I WXVL_AK3923SB0064 [0,1,0,0,0,0|2,0,1]=4 222 B13R1.528 CCC(=O)NCc1ccccc1O WXVL_AK0963SB0064 [0,1,0,0,0,0|2,0,1]=4 223 B13R1.528 CCC(=O)NCc1ccccc1O WXVL_AK0963SB0064 [0,1,0,0,0,0|2,0,1]=4 224 B13R1.528 CNC(=O)C=Cc1ccccc1Br WXVL_AK00442SB3065 [0,1,0,0,0,0|1,0,0]=2 225 B13R1.528 CNC(=O)C=Cc1ccccc1Br WXVL_AK00442SB3065 [0,1,0,0,0,0|1,0,0]=2 226 B13R1.528 CNC(=O)CCc1ccccc1Br WXVL_AK00442SB1278 [0,1,0,0,0,0|1,0,2]=4 227 B13R1.528 CNC(=O)CCc1ccccc1Br WXVL_AK00442SB1278 [0,1,0,0,0,0|1,0,2]=4 228 B13R1.528 CNC(=O)CCc1ccccc1C WXVL_AK00442SB0422 [0,1,0,0,0,0|1,0,2]=4 229 B13R1.528 CNC(=O)CCc1ccccc1C WXVL_AK00442SB0422 [0,1,0,0,0,0|1,0,2]=4 230 B13R1.528 CNC(=O)CCc1ccccc1Cl WXVL_AK00442SB0140 [0,1,0,0,0,0|1,0,2]=4 231 B13R1.528 CNC(=O)CCc1ccccc1Cl WXVL_AK00442SB0140 [0,1,0,0,0,0|1,0,2]=4 232 B13R1.528 CNC(=O)CCc1ccccc1F WXVL_AK00442SB0008 [0,1,0,0,0,0|1,0,2]=4 233 B13R1.528 CNC(=O)CCc1ccccc1F WXVL_AK00442SB0008 [0,1,0,0,0,0|1,0,2]=4 234 B13R1.528 CNC(=O)COc1ccccc1C WXVL_AK00442SB0136 [0,1,0,0,0,0|2,0,1]=4 235 B13R1.528 CNC(=O)COc1ccccc1C WXVL_AK00442SB0136 [0,1,0,0,0,0|2,0,1]=4 236 B13R1.528 CNC(=O)COc1ccccc1F WXVL_AK00442SB0441 [0,1,0,0,0,0|2,0,1]=4 237 B13R1.528 CNC(=O)COc1ccccc1F WXVL_AK00442SB0441 [0,1,0,0,0,0|2,0,1]=4 238 B13R2.10 Cc1nc(no1)c2ccccc2 WXVL_LR0423BT0919 [0,0,0,1,0,0|3,0,0]=4 239 B13R2.10 Cc1nc(no1)c2ccccc2 WXVL_LR0423BT1115 [0,0,0,1,0,0|3,0,0]=4 240 B13R2.10 Cc1nc(no1)c2ccccc2 WXVL_LR0423BT2957 [0,0,0,1,0,0|3,0,0]=4 241 B13R2.10 Clc1cc(cs1)c2ccccc2 WXVL_LR0844BT0919 [0,0,0,1,0,0|1,1,1]=4 242 B13R2.10 Clc1cc(cs1)c2ccccc2 WXVL_LR0844BT1115 [0,0,0,1,0,0|1,1,1]=4 243 B13R2.10 Clc1cc(cs1)c2ccccc2 WXVL_LR0844BT2957 [0,0,0,1,0,0|1,1,1]=4 244 B13R2.57 CNc1ncc2ccccc2n1 WXVL_AK00442LP0064 [0,0,0,1,0,0|3,0,0]=4 245 B13R2.57 CNc1ncc2ccccc2n1 WXVL_AK00442LP0064 [0,0,0,1,0,0|3,0,0]=4 246 B11R1.25 CNC(=O)/C=C/c1c[nH]cn1 WXVL_AK00442SA0730 [0,0,0,0,1,0|3,0,0]=4 247 B11R1.25 CNC(=O)/C=C/c1c[nH]cn1 WXVL_AK00442SA0730 [0,0,0,0,1,0|3,0,0]=4 248 B11R1.25 CNC(=O)/C=C/c1ccco1 WXVL_AK00442SA0180 [0,0,0,0,1,0|2,0,0]=3 249 B11R1.25 CNC(=O)/C=C/c1ccco1 WXVL_AK00442SA0180 [0,0,0,0,1,0|2,0,0]=3 250 B11R1.25 CNC(=O)/C=C/c1cccs1 WXVL_AK00442SA0001 [0,0,0,0,1,0|2,0,0]=3 251 B11R1.25 CNC(=O)/C=C/c1cccs1 WXVL_AK00442SA0001 [0,0,0,0,1,0|2,0,0]=3 252 B11R1.25 CNC(=O)/C=C/c1ccoc1 WXVL_AK00442SA0047 [0,0,0,0,1,0|2,0,0]=3 253 B11R1.25 CNC(=O)/C=C/c1ccoc1 WXVL_AK00442SA0047 [0,0,0,0,1,0|2,0,0]=3 254 B11R1.25 CNC(=O)/C=C/c1ccsc1 WXVL_AK00442SA0251 [0,0,0,0,1,0|2,0,0]=3 255 B11R1.25 CNC(=O)/C=C/c1ccsc1 WXVL_AK00442SA0251 [0,0,0,0,1,0|2,0,0]=3 256 B11R1.40 C#CC(=O)Nc1ccccc1 WXVL_AG00183SB0338 [0,0,0,0,1,0|2,0,1]=4 257 B11R1.40 C#CC(=O)Nc1ccccc1 WXVL_AG00183SB0338 [0,0,0,0,1,0|2,0,1]=4 258 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [0,0,0,0,1,0|2,0,0]=3 259 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [0,0,0,0,1,0|2,0,0]=3 260 B11R1.40 CCC(=O)Nc1ccccn1 WXVL_AF00298SB0064 [0,0,0,0,1,0|3,0,0]=4 261 B11R1.40 CCC(=O)Nc1ccccn1 WXVL_AF00298SB0064 [0,0,0,0,1,0|3,0,0]=4 262 B11R1.40 CNC(=O)Cc1ccccc1 WXVL_AK00442SB0092 [0,0,0,0,1,0|1,0,1]=3 263 B11R1.40 CNC(=O)Cc1ccccc1 WXVL_AK00442SB0092 [0,0,0,0,1,0|1,0,1]=3 264 B11R1.40 CNC(=O)Cc1ccccn1 WXVL_AK00442SA0032 [0,0,0,0,1,0|2,0,1]=4 265 B11R1.40 CNC(=O)Cc1ccccn1 WXVL_AK00442SA0032 [0,0,0,0,1,0|2,0,1]=4 266 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SA0029 [0,0,0,0,1,0|2,0,1]=4 267 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SA0029 [0,0,0,0,1,0|2,0,1]=4 268 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SB00049 [0,0,0,0,1,0|2,0,1]=4 269 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SB00049 [0,0,0,0,1,0|2,0,1]=4 270 B11R1.40 CNC(=O)Cc1ccncc1 WXVL_AK00442SA00106 [0,0,0,0,1,0|2,0,1]=4 271 B11R1.40 CNC(=O)Cc1ccncc1 WXVL_AK00442SA00106 [0,0,0,0,1,0|2,0,1]=4 272 B11R1.40 CNC(=O)Nc1ccccn1 WXVL_AK00442YV0189 [0,0,0,0,1,0|3,0,0]=4 273 B11R1.40 CNC(=O)Nc1ccccn1 WXVL_AK00442YV0189 [0,0,0,0,1,0|3,0,0]=4 274 B11R1.40 O=C(CO)Nc1ccccc1 WXVL_AG00183SB2706 [0,0,0,0,1,0|3,0,0]=4 275 B11R1.40 O=C(CO)Nc1ccccc1 WXVL_AG00183SB2706 [0,0,0,0,1,0|3,0,0]=4 276 B13R1.718 CCC(=O)NCCc1ccccc1 WXVL_AK00498SB0064 [0,0,0,0,0,1|1,0,2]=4 277 B13R1.718 CCC(=O)NCCc1ccccc1 WXVL_AK00498SB0064 [0,0,0,0,0,1|1,0,2]=4 278 B13R1.718 CNC(=O)CCCc1ccccc1 WXVL_AK00442SB0121 [0,0,0,0,0,1|1,0,2]=4 279 B13R1.718 CNC(=O)CCCc1ccccc1 WXVL_AK00442SB0121 [0,0,0,0,0,1|1,0,2]=4 280 B13R1.718 CNC(=O)CCOc1ccccc1 WXVL_AK00442SB0066 [0,0,0,0,0,1|1,0,2]=4 281 B13R1.718 CNC(=O)CCOc1ccccc1 WXVL_AK00442SB0066 [0,0,0,0,0,1|1,0,2]=4 282 B13R1.718 CNC(=O)COCc1ccccc1 WXVL_AK00442SB0185 [0,0,0,0,0,1|1,0,2]=4 283 B13R1.718 CNC(=O)COCc1ccccc1 WXVL_AK00442SB0185 [0,0,0,0,0,1|1,0,2]=4 284 B12R1.32 C/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB0340 [1,1,0,0,0,0|2,0,0]=4 285 B12R1.32 C/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB0340 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [1,1,0,0,0,0|1,0,1]=4 287 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [1,1,0,0,0,0|1,0,1]=4 288 B12R1.21 CC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0150 [1,1,0,0,0,0|1,0,1]=4 289 B12R1.21 CC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0150 [1,1,0,0,0,0|1,0,1]=4 290 B12R1.21 CC(=O)NCc1ccc(cc1)C WXVL_AK0048SB0150 [1,1,0,0,0,0|1,0,1]=4 291 B12R1.21 CC(=O)NCc1ccc(cc1)C WXVL_AK0048SB0150 [1,1,0,0,0,0|1,0,1]=4 292 B12R1.21 CC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0150 [1,1,0,0,0,0|1,0,1]=4 293 B12R1.21 CC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0150 [1,1,0,0,0,0|1,0,1]=4 294 B12R1.21 CC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0150 [1,1,0,0,0,0|1,0,1]=4 295 B12R1.21 CC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0150 [1,1,0,0,0,0|1,0,1]=4 296 B12R1.21 CC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0150 [1,1,0,0,0,0|1,0,1]=4 297 B12R1.21 CC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0150 [1,1,0,0,0,0|1,0,1]=4 298 B12R1.21 CC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0150 [1,1,0,0,0,0|1,0,1]=4 299 B12R1.21 CC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0150 [1,1,0,0,0,0|1,0,1]=4 300 B12R1.21 Cc1ccc(cc1)C=CC(=O)N WXVL_AK0084SB0060 [1,1,0,0,0,0|1,0,0]=3 301 B12R1.21 Cc1ccc(cc1)C=CC(=O)N WXVL_AK0084SB0060 [1,1,0,0,0,0|1,0,0]=3 302 B12R1.21 NC(=O)/C=C/c1ccc(cc1)O WXVL_AK0084SB0418 [1,1,0,0,0,0|1,0,0]=3 303 B12R1.21 NC(=O)/C=C/c1ccc(cc1)O WXVL_AK0084SB0418 [1,1,0,0,0,0|1,0,0]=3 304 B12R1.21 NC(=O)C=Cc1ccc(cc1)Br WXVL_AK0084SB1122 [1,1,0,0,0,0|1,0,0]=3 305 B12R1.21 NC(=O)C=Cc1ccc(cc1)Br WXVL_AK0084SB1122 [1,1,0,0,0,0|1,0,0]=3 306 B12R1.21 NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0084SB0119 [1,1,0,0,0,0|1,0,0]=3 307 B12R1.21 NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0084SB0119 [1,1,0,0,0,0|1,0,0]=3 308 B12R1.21 NC(=O)C=Cc1ccc(cc1)F WXVL_AK0084SB1186 [1,1,0,0,0,0|1,0,0]=3 309 B12R1.21 NC(=O)C=Cc1ccc(cc1)F WXVL_AK0084SB1186 [1,1,0,0,0,0|1,0,0]=3 310 B12R1.43 C/C(=C\c1cccnc1)/C(=O)N WXVL_AK0084SA1933 [1,1,0,0,0,0|2,0,0]=4 311 B12R1.43 C/C(=C\c1cccnc1)/C(=O)N WXVL_AK0084SA1933 [1,1,0,0,0,0|2,0,0]=4 312 B12R1.43 C=C(Cc1ccccc1)C(=O)N WXVL_AK0084SB0413 [1,1,0,0,0,0|1,0,1]=4 313 B12R1.43 C=C(Cc1ccccc1)C(=O)N WXVL_AK0084SB0413 [1,1,0,0,0,0|1,0,1]=4 314 B12R1.43 CC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB0051 [1,1,0,0,0,0|1,0,0]=3 315 B12R1.43 CC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB0051 [1,1,0,0,0,0|1,0,0]=3 316 B12R1.43 CC(=O)C(=O)Nc1ccccn1 WXVL_AF00298SB0051 [1,1,0,0,0,0|2,0,0]=4 317 B12R1.43 CC(=O)C(=O)Nc1ccccn1 WXVL_AF00298SB0051 [1,1,0,0,0,0|2,0,0]=4 318 B12R1.43 CC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0150 [1,1,0,0,0,0|1,0,1]=4 319 B12R1.43 CC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0150 [1,1,0,0,0,0|1,0,1]=4 320 B12R1.43 NC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB0128 [1,1,0,0,0,0|2,0,0]=4 321 B12R1.43 NC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB0128 [1,1,0,0,0,0|2,0,0]=4 322 B12R1.125 CC(=O)NCc1ccccc1Br WXVL_AK1632SB0150 [1,1,0,0,0,0|1,0,1]=4 323 B12R1.125 CC(=O)NCc1ccccc1Br WXVL_AK1632SB0150 [1,1,0,0,0,0|1,0,1]=4 324 B12R1.125 CC(=O)NCc1ccccc1C WXVL_AK0040SB0150 [1,1,0,0,0,0|1,0,1]=4 325 B12R1.125 CC(=O)NCc1ccccc1C WXVL_AK0040SB0150 [1,1,0,0,0,0|1,0,1]=4 326 B12R1.125 CC(=O)NCc1ccccc1Cl WXVL_AK0038SB0150 [1,1,0,0,0,0|1,0,1]=4 327 B12R1.125 CC(=O)NCc1ccccc1Cl WXVL_AK0038SB0150 [1,1,0,0,0,0|1,0,1]=4 328 B12R1.125 CC(=O)NCc1ccccc1F WXVL_AK0037SB0150 [1,1,0,0,0,0|1,0,1]=4 329 B12R1.125 CC(=O)NCc1ccccc1F WXVL_AK0037SB0150 [1,1,0,0,0,0|1,0,1]=4 330 B12R1.125 CC(=O)NCc1ccccc1I WXVL_AK3923SB0150 [1,1,0,0,0,0|1,0,1]=4 331 B12R1.125 CC(=O)NCc1ccccc1I WXVL_AK3923SB0150 [1,1,0,0,0,0|1,0,1]=4 332 B12R1.125 CC(=O)NCc1ccccc1O WXVL_AK0963SB0150 [1,1,0,0,0,0|1,0,1]=4 333 B12R1.125 CC(=O)NCc1ccccc1O WXVL_AK0963SB0150 [1,1,0,0,0,0|1,0,1]=4 334 B12R1.125 NC(=O)C=Cc1ccccc1Br WXVL_AK0084SB3065 [1,1,0,0,0,0|1,0,0]=3 335 B12R1.125 NC(=O)C=Cc1ccccc1Br WXVL_AK0084SB3065 [1,1,0,0,0,0|1,0,0]=3 336 B12R1.226 CC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0150 [1,1,0,0,0,0|1,0,1]=4 337 B12R1.226 CC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0150 [1,1,0,0,0,0|1,0,1]=4 338 B12R1.226 CC(=O)NCc1cccc(c1)C WXVL_AK0045SB0150 [1,1,0,0,0,0|1,0,1]=4 339 B12R1.226 CC(=O)NCc1cccc(c1)C WXVL_AK0045SB0150 [1,1,0,0,0,0|1,0,1]=4 340 B12R1.226 CC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0150 [1,1,0,0,0,0|1,0,1]=4 341 B12R1.226 CC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0150 [1,1,0,0,0,0|1,0,1]=4 342 B12R1.226 CC(=O)NCc1cccc(c1)F WXVL_AK0041SB0150 [1,1,0,0,0,0|1,0,1]=4 343 B12R1.226 CC(=O)NCc1cccc(c1)F WXVL_AK0041SB0150 [1,1,0,0,0,0|1,0,1]=4 344 B12R1.226 CC(=O)NCc1cccc(c1)I WXVL_AK1572SB0150 [1,1,0,0,0,0|1,0,1]=4 345 B12R1.226 CC(=O)NCc1cccc(c1)I WXVL_AK1572SB0150 [1,1,0,0,0,0|1,0,1]=4 346 B12R1.226 CC(=O)NCc1cccc(c1)O WXVL_AK0974SB0150 [1,1,0,0,0,0|1,0,1]=4 347 B12R1.226 CC(=O)NCc1cccc(c1)O WXVL_AK0974SB0150 [1,1,0,0,0,0|1,0,1]=4 348 B12R1.226 NC(=O)C=Cc1cccc(c1)Cl WXVL_AK0084SB1601 [1,1,0,0,0,0|1,0,0]=3 349 B12R1.226 NC(=O)C=Cc1cccc(c1)Cl WXVL_AK0084SB1601 [1,1,0,0,0,0|1,0,0]=3 350 B12R1.226 NC(=O)C=Cc1cccc(c1)O WXVL_AK0084SB0417 [1,1,0,0,0,0|1,0,0]=3 351 B12R1.226 NC(=O)C=Cc1cccc(c1)O WXVL_AK0084SB0417 [1,1,0,0,0,0|1,0,0]=3 352 B12R1.891 NS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0084HU0026 [1,1,0,0,0,0|1,0,1]=4 353 B12R1.891 NS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0084HU0026 [1,1,0,0,0,0|1,0,1]=4 354 B12R1.26 CNC(=O)/C=C/c1ccc(s1)C WXVL_AK00442SA1334 [0,1,0,0,1,0|2,0,0]=4 355 B12R1.26 CNC(=O)/C=C/c1ccc(s1)C WXVL_AK00442SA1334 [0,1,0,0,1,0|2,0,0]=4 356 B12R1.51 CCNC(=O)/C=C/c1ccco1 WXVL_AK00476SA0180 [0,1,0,0,1,0|2,0,0]=4 357 B12R1.51 CCNC(=O)/C=C/c1ccco1 WXVL_AK00476SA0180 [0,1,0,0,1,0|2,0,0]=4 358 B12R1.51 CCNC(=O)/C=C/c1cccs1 WXVL_AK00476SA0001 [0,1,0,0,1,0|2,0,0]=4 359 B12R1.51 CCNC(=O)/C=C/c1cccs1 WXVL_AK00476SA0001 [0,1,0,0,1,0|2,0,0]=4 360 B12R1.51 CCNC(=O)/C=C/c1ccoc1 WXVL_AK00476SA0047 [0,1,0,0,1,0|2,0,0]=4 361 B12R1.51 CCNC(=O)/C=C/c1ccoc1 WXVL_AK00476SA0047 [0,1,0,0,1,0|2,0,0]=4 362 B12R1.51 CCNC(=O)/C=C/c1ccsc1 WXVL_AK00476SA0251 [0,1,0,0,1,0|2,0,0]=4 363 B12R1.51 CCNC(=O)/C=C/c1ccsc1 WXVL_AK00476SA0251 [0,1,0,0,1,0|2,0,0]=4 364 B12R1.264 CN(C)C(=O)/C=C/c1ccco1 WXVL_AN0032SA0180 [0,1,0,0,1,0|2,0,0]=4 365 B12R1.264 CN(C)C(=O)/C=C/c1ccco1 WXVL_AN0032SA0180 [0,1,0,0,1,0|2,0,0]=4 366 B12R1.264 CN(C)C(=O)/C=C/c1cccs1 WXVL_AN0032SA0001 [0,1,0,0,1,0|2,0,0]=4 367 B12R1.264 CN(C)C(=O)/C=C/c1cccs1 WXVL_AN0032SA0001 [0,1,0,0,1,0|2,0,0]=4 368 B12R1.264 CN(C)C(=O)/C=C/c1ccoc1 WXVL_AN0032SA0047 [0,1,0,0,1,0|2,0,0]=4 369 B12R1.264 CN(C)C(=O)/C=C/c1ccoc1 WXVL_AN0032SA0047 [0,1,0,0,1,0|2,0,0]=4 370 B12R1.264 CN(C)C(=O)/C=C/c1ccsc1 WXVL_AN0032SA0251 [0,1,0,0,1,0|2,0,0]=4 371 B12R1.264 CN(C)C(=O)/C=C/c1ccsc1 WXVL_AN0032SA0251 [0,1,0,0,1,0|2,0,0]=4 372 B12R1.34 CNC(=O)C(=O)c1ccccc1 WXVL_AK00442SB0050 [0,1,0,0,1,0|1,0,0]=3 373 B12R1.34 CNC(=O)C(=O)c1ccccc1 WXVL_AK00442SB0050 [0,1,0,0,1,0|1,0,0]=3 374 B12R1.34 CNC(=O)C(C)c1ccccc1 WXVL_AK00442SB2326 [0,1,0,0,1,0|1,0,1]=4 375 B12R1.34 CNC(=O)C(C)c1ccccc1 WXVL_AK00442SB2326 [0,1,0,0,1,0|1,0,1]=4 376 B12R1.34 CNC(=O)C(O)c1ccccc1 WXVL_AK00442SB0168 [0,1,0,0,1,0|1,0,1]=4 377 B12R1.34 CNC(=O)C(O)c1ccccc1 WXVL_AK00442SB0168 [0,1,0,0,1,0|1,0,1]=4 378 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB0064 [0,1,0,0,1,0|2,0,0]=4 379 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB0064 [0,1,0,0,1,0|2,0,0]=4 380 B12R1.49 CCC(=O)Nc1ccc(cc1)I WXVL_AG1742SB0064 [0,1,0,0,1,0|2,0,0]=4 381 B12R1.49 CCC(=O)Nc1ccc(cc1)I WXVL_AG1742SB0064 [0,1,0,0,1,0|2,0,0]=4 382 B12R1.49 CNC(=O)Cc1ccc(cc1)Br WXVL_AK00442SB0926 [0,1,0,0,1,0|1,0,1]=4 383 B12R1.49 CNC(=O)Cc1ccc(cc1)Br WXVL_AK00442SB0926 [0,1,0,0,1,0|1,0,1]=4 384 B12R1.49 CNC(=O)Cc1ccc(cc1)C WXVL_AK00442SB0112 [0,1,0,0,1,0|1,0,1]=4 385 B12R1.49 CNC(=O)Cc1ccc(cc1)C WXVL_AK00442SB0112 [0,1,0,0,1,0|1,0,1]=4 386 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl WXVL_AK00442SB0107 [0,1,0,0,1,0|1,0,1]=4 387 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl WXVL_AK00442SB0107 [0,1,0,0,1,0|1,0,1]=4 388 B12R1.49 CNC(=O)Cc1ccc(cc1)F WXVL_AK00442SB0106 [0,1,0,0,1,0|1,0,1]=4 389 B12R1.49 CNC(=O)Cc1ccc(cc1)F WXVL_AK00442SB0106 [0,1,0,0,1,0|1,0,1]=4 390 B12R1.49 CNC(=O)Cc1ccc(cc1)O WXVL_AK00442SB0110 [0,1,0,0,1,0|1,0,1]=4 391 B12R1.49 CNC(=O)Cc1ccc(cc1)O WXVL_AK00442SB0110 [0,1,0,0,1,0|1,0,1]=4 392 B12R1.49 CNC(=O)Nc1ccc(cc1)C WXVL_AK00442YV0026 [0,1,0,0,1,0|2,0,0]=4 393 B12R1.49 CNC(=O)Nc1ccc(cc1)C WXVL_AK00442YV0026 [0,1,0,0,1,0|2,0,0]=4 394 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl WXVL_AK00442YV0023 [0,1,0,0,1,0|2,0,0]=4 395 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl WXVL_AK00442YV0023 [0,1,0,0,1,0|2,0,0]=4 396 B12R1.50 CCC(=O)Nc1cccc(c1)C WXVL_AG0052SB0064 [0,1,0,0,1,0|2,0,0]=4 397 B12R1.50 CCC(=O)Nc1cccc(c1)C WXVL_AG0052SB0064 [0,1,0,0,1,0|2,0,0]=4 398 B12R1.50 CCC(=O)Nc1cccc(c1)I WXVL_AG0649SB0064 [0,1,0,0,1,0|2,0,0]=4 399 B12R1.50 CCC(=O)Nc1cccc(c1)I WXVL_AG0649SB0064 [0,1,0,0,1,0|2,0,0]=4 400 B12R1.50 CCC(=O)Nc1cccc(c1)O WXVL_AG00200SB0064 [0,1,0,0,1,0|2,0,0]=4 401 B12R1.50 CCC(=O)Nc1cccc(c1)O WXVL_AG00200SB0064 [0,1,0,0,1,0|2,0,0]=4 402 B12R1.50 CNC(=O)Cc1cccc(c1)Br WXVL_AK00442SB0099 [0,1,0,0,1,0|1,0,1]=4 403 B12R1.50 CNC(=O)Cc1cccc(c1)Br WXVL_AK00442SB0099 [0,1,0,0,1,0|1,0,1]=4 404 B12R1.50 CNC(=O)Cc1cccc(c1)C WXVL_AK00442SB0105 [0,1,0,0,1,0|1,0,1]=4 405 B12R1.50 CNC(=O)Cc1cccc(c1)C WXVL_AK00442SB0105 [0,1,0,0,1,0|1,0,1]=4 406 B12R1.50 CNC(=O)Cc1cccc(c1)Cl WXVL_AK00442SB0101 [0,1,0,0,1,0|1,0,1]=4 407 B12R1.50 CNC(=O)Cc1cccc(c1)Cl WXVL_AK00442SB0101 [0,1,0,0,1,0|1,0,1]=4 408 B12R1.50 CNC(=O)Cc1cccc(c1)F WXVL_AK00442SB0100 [0,1,0,0,1,0|1,0,1]=4 409 B12R1.50 CNC(=O)Cc1cccc(c1)F WXVL_AK00442SB0100 [0,1,0,0,1,0|1,0,1]=4 410 B12R1.50 CNC(=O)Cc1cccc(c1)O WXVL_AK00442SB0104 [0,1,0,0,1,0|1,0,1]=4 411 B12R1.50 CNC(=O)Cc1cccc(c1)O WXVL_AK00442SB0104 [0,1,0,0,1,0|1,0,1]=4 412 B12R1.50 CNC(=O)Nc1cccc(c1)Br WXVL_AK00442YV0098 [0,1,0,0,1,0|2,0,0]=4 413 B12R1.50 CNC(=O)Nc1cccc(c1)Br WXVL_AK00442YV0098 [0,1,0,0,1,0|2,0,0]=4 414 B12R1.50 CNC(=O)Nc1cccc(c1)C WXVL_AK00442YV0020 [0,1,0,0,1,0|2,0,0]=4 415 B12R1.50 CNC(=O)Nc1cccc(c1)C WXVL_AK00442YV0020 [0,1,0,0,1,0|2,0,0]=4 416 B12R1.50 CNC(=O)Nc1cccc(c1)Cl WXVL_AK00442YV0016 [0,1,0,0,1,0|2,0,0]=4 417 B12R1.50 CNC(=O)Nc1cccc(c1)Cl WXVL_AK00442YV0016 [0,1,0,0,1,0|2,0,0]=4 418 B12R1.371 CCC(=O)Nc1ccccc1Br WXVL_AG00180SB0064 [0,1,0,0,1,0|2,0,0]=4 419 B12R1.371 CCC(=O)Nc1ccccc1Br WXVL_AG00180SB0064 [0,1,0,0,1,0|2,0,0]=4 420 B12R1.371 CCC(=O)Nc1ccccc1C WXVL_AG0027SB0064 [0,1,0,0,1,0|2,0,0]=4 421 B12R1.371 CCC(=O)Nc1ccccc1C WXVL_AG0027SB0064 [0,1,0,0,1,0|2,0,0]=4 422 B12R1.371 CCC(=O)Nc1ccccc1Cl WXVL_AG00129SB0064 [0,1,0,0,1,0|2,0,0]=4 423 B12R1.371 CCC(=O)Nc1ccccc1Cl WXVL_AG00129SB0064 [0,1,0,0,1,0|2,0,0]=4 424 B12R1.371 CCC(=O)Nc1ccccc1I WXVL_AG0385SB0064 [0,1,0,0,1,0|2,0,0]=4 425 B12R1.371 CCC(=O)Nc1ccccc1I WXVL_AG0385SB0064 [0,1,0,0,1,0|2,0,0]=4 426 B12R1.371 CNC(=O)Cc1ccccc1Br WXVL_AK00442SB0093 [0,1,0,0,1,0|1,0,1]=4 427 B12R1.371 CNC(=O)Cc1ccccc1Br WXVL_AK00442SB0093 [0,1,0,0,1,0|1,0,1]=4 428 B12R1.371 CNC(=O)Cc1ccccc1C WXVL_AK00442SB0098 [0,1,0,0,1,0|1,0,1]=4 429 B12R1.371 CNC(=O)Cc1ccccc1C WXVL_AK00442SB0098 [0,1,0,0,1,0|1,0,1]=4 430 B12R1.371 CNC(=O)Cc1ccccc1Cl WXVL_AK00442SB0095 [0,1,0,0,1,0|1,0,1]=4 431 B12R1.371 CNC(=O)Cc1ccccc1Cl WXVL_AK00442SB0095 [0,1,0,0,1,0|1,0,1]=4 432 B12R1.371 CNC(=O)Cc1ccccc1F WXVL_AK00442SB0094 [0,1,0,0,1,0|1,0,1]=4 433 B12R1.371 CNC(=O)Cc1ccccc1F WXVL_AK00442SB0094 [0,1,0,0,1,0|1,0,1]=4 434 B12R1.371 CNC(=O)Cc1ccccc1I WXVL_AK00442SB1145 [0,1,0,0,1,0|1,0,1]=4 435 B12R1.371 CNC(=O)Cc1ccccc1I WXVL_AK00442SB1145 [0,1,0,0,1,0|1,0,1]=4 436 B12R1.371 CNC(=O)Cc1ccccc1O WXVL_AK00442SB0400 [0,1,0,0,1,0|1,0,1]=4 437 B12R1.371 CNC(=O)Cc1ccccc1O WXVL_AK00442SB0400 [0,1,0,0,1,0|1,0,1]=4 438 B12R1.371 CNC(=O)Nc1ccccc1Br WXVL_AK00442YV0003 [0,1,0,0,1,0|2,0,0]=4 439 B12R1.371 CNC(=O)Nc1ccccc1Br WXVL_AK00442YV0003 [0,1,0,0,1,0|2,0,0]=4 440 B12R1.371 CNC(=O)Nc1ccccc1C WXVL_AK00442YV0013 [0,1,0,0,1,0|2,0,0]=4 441 B12R1.371 CNC(=O)Nc1ccccc1C WXVL_AK00442YV0013 [0,1,0,0,1,0|2,0,0]=4 442 B12R1.371 CNC(=O)Nc1ccccc1Cl WXVL_AK00442YV0007 [0,1,0,0,1,0|2,0,0]=4 443 B12R1.371 CNC(=O)Nc1ccccc1Cl WXVL_AK00442YV0007 [0,1,0,0,1,0|2,0,0]=4 444 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 WXVL_AK00442SB0466 [0,1,0,0,0,1|1,0,1]=4 445 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 WXVL_AK00442SB0466 [0,1,0,0,0,1|1,0,1]=4 446 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 WXVL_AK1222SD0001 [0,1,0,0,0,1|1,0,1]=4 447 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 WXVL_AK1222SD0001 [0,1,0,0,0,1|1,0,1]=4 448 B14R1.520 COCC(=O)NCCc1ccccc1 WXVL_AK00498SB0090 [0,1,0,0,0,1|0,0,2]=4 449 B14R1.520 COCC(=O)NCCc1ccccc1 WXVL_AK00498SB0090 [0,1,0,0,0,1|0,0,2]=4 450 B14R1.743 COC(=O)CC(=O)Nc1ccccc1 WXVL_AG00183SB2790 [0,1,0,0,0,1|0,0,1]=3 451 B14R1.743 COC(=O)CC(=O)Nc1ccccc1 WXVL_AG00183SB2790 [0,1,0,0,0,1|0,0,1]=3 452 B14R1.743 COC(=O)CC(=O)Nc1ccccn1 WXVL_AF00298SB2790 [0,1,0,0,0,1|1,0,1]=4 453 B14R1.743 COC(=O)CC(=O)Nc1ccccn1 WXVL_AF00298SB2790 [0,1,0,0,0,1|1,0,1]=4 454 B14R1.756 CCC(=O)C(=O)NCc1ccccc1 WXVL_AK00502SB0344 [0,1,0,0,0,1|1,0,1]=4 455 B14R1.756 CCC(=O)C(=O)NCc1ccccc1 WXVL_AK00502SB0344 [0,1,0,0,0,1|1,0,1]=4 456 B14R1.29 CCNC(=O)NC(=O)c1ccccc1 WXVL_AK00476YV0027 [0,2,0,0,0,0|2,0,0]=4 457 B14R1.29 CCNC(=O)NC(=O)c1ccccc1 WXVL_AK00476YV0027 [0,2,0,0,0,0|2,0,0]=4 458 B14R1.415 CN(C)C(=O)NC(=O)c1ccccc1 WXVL_AN0032YV0027 [0,2,0,0,0,0|2,0,0]=4 459 B14R1.415 CN(C)C(=O)NC(=O)c1ccccc1 WXVL_AN0032YV0027 [0,2,0,0,0,0|2,0,0]=4 460 B14R1.5 CNC(=O)/C=C/c1ccc(cc1)OC WXVL_AK00442SB0120 [0,2,0,0,0,0|1,0,0]=3 461 B14R1.5 CNC(=O)/C=C/c1ccc(cc1)OC WXVL_AK00442SB0120 [0,2,0,0,0,0|1,0,0]=3 462 B14R1.134 CCC(=O)C(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB0344 [0,2,0,0,0,0|2,0,0]=4 463 B14R1.134 CCC(=O)C(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB0344 [0,2,0,0,0,0|2,0,0]=4 464 B14R1.134 CCC(=O)C(=O)Nc1ccc(cc1)I WXVL_AG1742SB0344 [0,2,0,0,0,0|2,0,0]=4 465 B14R1.134 CCC(=O)C(=O)Nc1ccc(cc1)I WXVL_AG1742SB0344 [0,2,0,0,0,0|2,0,0]=4 466 B14R1.134 CNC(=O)C(=O)Cc1ccc(cc1)O WXVL_AK00442SB2710 [0,2,0,0,0,0|1,0,1]=4 467 B14R1.134 CNC(=O)C(=O)Cc1ccc(cc1)O WXVL_AK00442SB2710 [0,2,0,0,0,0|1,0,1]=4 468 B14R1.502 CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00476SB0418 [0,2,0,0,0,0|1,0,0]=3 469 B14R1.502 CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00476SB0418 [0,2,0,0,0,0|1,0,0]=3 470 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00476SB1122 [0,2,0,0,0,0|1,0,0]=3 471 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00476SB1122 [0,2,0,0,0,0|1,0,0]=3 472 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00476SB0060 [0,2,0,0,0,0|1,0,0]=3 473 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00476SB0060 [0,2,0,0,0,0|1,0,0]=3 474 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00476SB0119 [0,2,0,0,0,0|1,0,0]=3 475 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00476SB0119 [0,2,0,0,0,0|1,0,0]=3 476 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00476SB1186 [0,2,0,0,0,0|1,0,0]=3 477 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00476SB1186 [0,2,0,0,0,0|1,0,0]=3 478 B14R1.502 COCC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0090 [0,2,0,0,0,0|1,0,1]=4 479 B14R1.502 COCC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0090 [0,2,0,0,0,0|1,0,1]=4 480 B14R1.502 COCC(=O)NCc1ccc(cc1)C WXVL_AK0048SB0090 [0,2,0,0,0,0|1,0,1]=4 481 B14R1.502 COCC(=O)NCc1ccc(cc1)C WXVL_AK0048SB0090 [0,2,0,0,0,0|1,0,1]=4 482 B14R1.502 COCC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0090 [0,2,0,0,0,0|1,0,1]=4 483 B14R1.502 COCC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0090 [0,2,0,0,0,0|1,0,1]=4 484 B14R1.502 COCC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0090 [0,2,0,0,0,0|1,0,1]=4 485 B14R1.502 COCC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0090 [0,2,0,0,0,0|1,0,1]=4 486 B14R1.502 COCC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0090 [0,2,0,0,0,0|1,0,1]=4 487 B14R1.502 COCC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0090 [0,2,0,0,0,0|1,0,1]=4 488 B14R1.502 COCC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0090 [0,2,0,0,0,0|1,0,1]=4 489 B14R1.502 COCC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0090 [0,2,0,0,0,0|1,0,1]=4 490 B14R1.679 CN(C)C(=O)/C=C/c1ccc(cc1)O WXVL_AN0032SB0418 [0,2,0,0,0,0|1,0,0]=3 491 B14R1.679 CN(C)C(=O)/C=C/c1ccc(cc1)O WXVL_AN0032SB0418 [0,2,0,0,0,0|1,0,0]=3 492 B14R1.679 CN(C)C(=O)C=Cc1ccc(cc1)Br WXVL_AN0032SB1122 [0,2,0,0,0,0|1,0,0]=3 493 B14R1.679 CN(C)C(=O)C=Cc1ccc(cc1)Br WXVL_AN0032SB1122 [0,2,0,0,0,0|1,0,0]=3 494 B14R1.679 CN(C)C(=O)C=Cc1ccc(cc1)Cl WXVL_AN0032SB0119 [0,2,0,0,0,0|1,0,0]=3 495 B14R1.679 CN(C)C(=O)C=Cc1ccc(cc1)Cl WXVL_AN0032SB0119 [0,2,0,0,0,0|1,0,0]=3 496 B14R1.679 CN(C)C(=O)C=Cc1ccc(cc1)F WXVL_AN0032SB1186 [0,2,0,0,0,0|1,0,0]=3 497 B14R1.679 CN(C)C(=O)C=Cc1ccc(cc1)F WXVL_AN0032SB1186 [0,2,0,0,0,0|1,0,0]=3 498 B14R1.679 Cc1ccc(cc1)C=CC(=O)N(C)C WXVL_AN0032SB0060 [0,2,0,0,0,0|1,0,0]=3 499 B14R1.679 Cc1ccc(cc1)C=CC(=O)N(C)C WXVL_AN0032SB0060 [0,2,0,0,0,0|1,0,0]=3 500 B14R1.727 CNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK00442SB5557 [0,2,0,0,0,0|1,0,0]=3 501 B14R1.727 CNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK00442SB5557 [0,2,0,0,0,0|1,0,0]=3 502 B14R1.727 CNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK00442SB8094 [0,2,0,0,0,0|1,0,0]=3 503 B14R1.727 CNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK00442SB8094 [0,2,0,0,0,0|1,0,0]=3 504 B14R1.727 CNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK00442SB1318 [0,2,0,0,0,0|1,0,0]=3 505 B14R1.727 CNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK00442SB1318 [0,2,0,0,0,0|1,0,0]=3 506 B14R1.727 CNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK00442SB1257 [0,2,0,0,0,0|1,0,0]=3 507 B14R1.727 CNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK00442SB1257 [0,2,0,0,0,0|1,0,0]=3 508 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK00442SB0256 [0,2,0,0,0,0|1,0,0]=3 509 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK00442SB0256 [0,2,0,0,0,0|1,0,0]=3 510 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK00442SB3115 [0,2,0,0,0,0|1,0,0]=3 511 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK00442SB3115 [0,2,0,0,0,0|1,0,0]=3 512 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK00442SB0235 [0,2,0,0,0,0|1,0,0]=3 513 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK00442SB0235 [0,2,0,0,0,0|1,0,0]=3 514 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK00442SB0118 [0,2,0,0,0,0|1,0,0]=3 515 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK00442SB0118 [0,2,0,0,0,0|1,0,0]=3 516 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00476SB1601 [0,2,0,0,0,0|1,0,0]=3 517 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00476SB1601 [0,2,0,0,0,0|1,0,0]=3 518 B14R1.32 CCNC(=O)C=Cc1cccc(c1)O WXVL_AK00476SB0417 [0,2,0,0,0,0|1,0,0]=3 519 B14R1.32 CCNC(=O)C=Cc1cccc(c1)O WXVL_AK00476SB0417 [0,2,0,0,0,0|1,0,0]=3 520 B14R1.32 COCC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0090 [0,2,0,0,0,0|1,0,1]=4 521 B14R1.32 COCC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0090 [0,2,0,0,0,0|1,0,1]=4 522 B14R1.32 COCC(=O)NCc1cccc(c1)C WXVL_AK0045SB0090 [0,2,0,0,0,0|1,0,1]=4 523 B14R1.32 COCC(=O)NCc1cccc(c1)C WXVL_AK0045SB0090 [0,2,0,0,0,0|1,0,1]=4 524 B14R1.32 COCC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0090 [0,2,0,0,0,0|1,0,1]=4 525 B14R1.32 COCC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0090 [0,2,0,0,0,0|1,0,1]=4 526 B14R1.32 COCC(=O)NCc1cccc(c1)F WXVL_AK0041SB0090 [0,2,0,0,0,0|1,0,1]=4 527 B14R1.32 COCC(=O)NCc1cccc(c1)F WXVL_AK0041SB0090 [0,2,0,0,0,0|1,0,1]=4 528 B14R1.32 COCC(=O)NCc1cccc(c1)I WXVL_AK1572SB0090 [0,2,0,0,0,0|1,0,1]=4 529 B14R1.32 COCC(=O)NCc1cccc(c1)I WXVL_AK1572SB0090 [0,2,0,0,0,0|1,0,1]=4 530 B14R1.32 COCC(=O)NCc1cccc(c1)O WXVL_AK0974SB0090 [0,2,0,0,0,0|1,0,1]=4 531 B14R1.32 COCC(=O)NCc1cccc(c1)O WXVL_AK0974SB0090 [0,2,0,0,0,0|1,0,1]=4 532 B14R1.77 CNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK00442SB2454 [0,2,0,0,0,0|1,0,0]=3 533 B14R1.77 CNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK00442SB2454 [0,2,0,0,0,0|1,0,0]=3 534 B14R1.77 CNC(=O)C=Cc1cccc(c1)OC WXVL_AK00442SB0458 [0,2,0,0,0,0|1,0,0]=3 535 B14R1.77 CNC(=O)C=Cc1cccc(c1)OC WXVL_AK00442SB0458 [0,2,0,0,0,0|1,0,0]=3 536 B14R1.135 CCC(=O)C(=O)Nc1cccc(c1)C WXVL_AG0052SB0344 [0,2,0,0,0,0|2,0,0]=4 537 B14R1.135 CCC(=O)C(=O)Nc1cccc(c1)C WXVL_AG0052SB0344 [0,2,0,0,0,0|2,0,0]=4 538 B14R1.135 CCC(=O)C(=O)Nc1cccc(c1)I WXVL_AG0649SB0344 [0,2,0,0,0,0|2,0,0]=4 539 B14R1.135 CCC(=O)C(=O)Nc1cccc(c1)I WXVL_AG0649SB0344 [0,2,0,0,0,0|2,0,0]=4 540 B14R1.135 CCC(=O)C(=O)Nc1cccc(c1)O WXVL_AG00200SB0344 [0,2,0,0,0,0|2,0,0]=4 541 B14R1.135 CCC(=O)C(=O)Nc1cccc(c1)O WXVL_AG00200SB0344 [0,2,0,0,0,0|2,0,0]=4 542 B14R1.825 CNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK00442SB1124 [0,2,0,0,0,0|1,0,0]=3 543 B14R1.825 CNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK00442SB1124 [0,2,0,0,0,0|1,0,0]=3 544 B14R1.5956 CN(C)C(=O)C=Cc1cccc(c1)Cl WXVL_AN0032SB1601 [0,2,0,0,0,0|1,0,0]=3 545 B14R1.5956 CN(C)C(=O)C=Cc1cccc(c1)Cl WXVL_AN0032SB1601 [0,2,0,0,0,0|1,0,0]=3 546 B14R1.5956 CN(C)C(=O)C=Cc1cccc(c1)O WXVL_AN0032SB0417 [0,2,0,0,0,0|1,0,0]=3 547 B14R1.5956 CN(C)C(=O)C=Cc1cccc(c1)O WXVL_AN0032SB0417 [0,2,0,0,0,0|1,0,0]=3 548 B14R1.60 C=C(Cc1ccccc1)C(=O)NCC WXVL_AK00476SB0413 [0,2,0,0,0,0|1,0,1]=4 549 B14R1.60 C=C(Cc1ccccc1)C(=O)NCC WXVL_AK00476SB0413 [0,2,0,0,0,0|1,0,1]=4 550 B14R1.60 CCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00476SA1933 [0,2,0,0,0,0|2,0,0]=4 551 B14R1.60 CCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00476SA1933 [0,2,0,0,0,0|2,0,0]=4 552 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB4144 [0,2,0,0,0,0|1,0,0]=3 553 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB4144 [0,2,0,0,0,0|1,0,0]=3 554 B14R1.60 CCOC(=O)C(=O)Nc1ccccn1 WXVL_AF00298SB4144 [0,2,0,0,0,0|2,0,0]=4 555 B14R1.60 CCOC(=O)C(=O)Nc1ccccn1 WXVL_AF00298SB4144 [0,2,0,0,0,0|2,0,0]=4 556 B14R1.60 COCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0090 [0,2,0,0,0,0|1,0,1]=4 557 B14R1.60 COCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0090 [0,2,0,0,0,0|1,0,1]=4 558 B14R1.156 C=CCNC(=O)/C=C/c1ccccc1 WXVL_AK00561SB0115 [0,2,0,0,0,0|1,0,0]=3 559 B14R1.156 C=CCNC(=O)/C=C/c1ccccc1 WXVL_AK00561SB0115 [0,2,0,0,0,0|1,0,0]=3 560 B14R1.156 C=CCNC(=O)/C=C/c1cccnc1 WXVL_AK00561SA0193 [0,2,0,0,0,0|2,0,0]=4 561 B14R1.156 C=CCNC(=O)/C=C/c1cccnc1 WXVL_AK00561SA0193 [0,2,0,0,0,0|2,0,0]=4 562 B14R1.156 CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00504SB0115 [0,2,0,0,0,0|1,0,0]=3 563 B14R1.156 CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00504SB0115 [0,2,0,0,0,0|1,0,0]=3 564 B14R1.156 CCCNC(=O)/C=C/c1cccnc1 WXVL_AK00504SA0193 [0,2,0,0,0,0|2,0,0]=4 565 B14R1.156 CCCNC(=O)/C=C/c1cccnc1 WXVL_AK00504SA0193 [0,2,0,0,0,0|2,0,0]=4 566 B14R1.156 CCOCC(=O)NCc1ccccc1 WXVL_AK00502SB0091 [0,2,0,0,0,0|1,0,1]=4 567 B14R1.156 CCOCC(=O)NCc1ccccc1 WXVL_AK00502SB0091 [0,2,0,0,0,0|1,0,1]=4 568 B14R1.156 COCCC(=O)NCc1ccccc1 WXVL_AK00502SB0156 [0,2,0,0,0,0|1,0,1]=4 569 B14R1.156 COCCC(=O)NCc1ccccc1 WXVL_AK00502SB0156 [0,2,0,0,0,0|1,0,1]=4 570 B14R1.156 N#CCNC(=O)/C=C/c1ccccc1 WXVL_AK0683SB0115 [0,2,0,0,0,0|1,0,0]=3 571 B14R1.156 N#CCNC(=O)/C=C/c1ccccc1 WXVL_AK0683SB0115 [0,2,0,0,0,0|1,0,0]=3 572 B14R1.156 N#CCNC(=O)/C=C/c1cccnc1 WXVL_AK0683SA0193 [0,2,0,0,0,0|2,0,0]=4 573 B14R1.156 N#CCNC(=O)/C=C/c1cccnc1 WXVL_AK0683SA0193 [0,2,0,0,0,0|2,0,0]=4 574 B14R1.156 O=C(/C=C/c1ccccc1)NCCF WXVL_AK00466SB0115 [0,2,0,0,0,0|1,0,0]=3 575 B14R1.156 O=C(/C=C/c1ccccc1)NCCF WXVL_AK00466SB0115 [0,2,0,0,0,0|1,0,0]=3 576 B14R1.156 O=C(/C=C/c1cccnc1)NCCF WXVL_AK00466SA0193 [0,2,0,0,0,0|2,0,0]=4 577 B14R1.156 O=C(/C=C/c1cccnc1)NCCF WXVL_AK00466SA0193 [0,2,0,0,0,0|2,0,0]=4 578 B14R1.598 CCNC(=O)C=Cc1ccccc1Br WXVL_AK00476SB3065 [0,2,0,0,0,0|1,0,0]=3 579 B14R1.598 CCNC(=O)C=Cc1ccccc1Br WXVL_AK00476SB3065 [0,2,0,0,0,0|1,0,0]=3 580 B14R1.598 COCC(=O)NCc1ccccc1Br WXVL_AK1632SB0090 [0,2,0,0,0,0|1,0,1]=4 581 B14R1.598 COCC(=O)NCc1ccccc1Br WXVL_AK1632SB0090 [0,2,0,0,0,0|1,0,1]=4 582 B14R1.598 COCC(=O)NCc1ccccc1C WXVL_AK0040SB0090 [0,2,0,0,0,0|1,0,1]=4 583 B14R1.598 COCC(=O)NCc1ccccc1C WXVL_AK0040SB0090 [0,2,0,0,0,0|1,0,1]=4 584 B14R1.598 COCC(=O)NCc1ccccc1Cl WXVL_AK0038SB0090 [0,2,0,0,0,0|1,0,1]=4 585 B14R1.598 COCC(=O)NCc1ccccc1Cl WXVL_AK0038SB0090 [0,2,0,0,0,0|1,0,1]=4 586 B14R1.598 COCC(=O)NCc1ccccc1F WXVL_AK0037SB0090 [0,2,0,0,0,0|1,0,1]=4 587 B14R1.598 COCC(=O)NCc1ccccc1F WXVL_AK0037SB0090 [0,2,0,0,0,0|1,0,1]=4 588 B14R1.598 COCC(=O)NCc1ccccc1I WXVL_AK3923SB0090 [0,2,0,0,0,0|1,0,1]=4 589 B14R1.598 COCC(=O)NCc1ccccc1I WXVL_AK3923SB0090 [0,2,0,0,0,0|1,0,1]=4 590 B14R1.598 COCC(=O)NCc1ccccc1O WXVL_AK0963SB0090 [0,2,0,0,0,0|1,0,1]=4 591 B14R1.598 COCC(=O)NCc1ccccc1O WXVL_AK0963SB0090 [0,2,0,0,0,0|1,0,1]=4 592 B14R1.818 CC(C)NC(=O)/C=C/c1ccccc1 WXVL_AK0030SB0115 [0,2,0,0,0,0|1,0,0]=3 593 B14R1.818 CC(C)NC(=O)/C=C/c1ccccc1 WXVL_AK0030SB0115 [0,2,0,0,0,0|1,0,0]=3 594 B14R1.818 CC(C)NC(=O)/C=C/c1cccnc1 WXVL_AK0030SA0193 [0,2,0,0,0,0|2,0,0]=4 595 B14R1.818 CC(C)NC(=O)/C=C/c1cccnc1 WXVL_AK0030SA0193 [0,2,0,0,0,0|2,0,0]=4 596 B14R1.6829 CCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00476HU0026 [0,2,0,0,0,0|2,0,0]=4 597 B14R1.6829 CCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00476HU0026 [0,2,0,0,0,0|2,0,0]=4 598 B14R1.425 C/C(=C\c1cccnc1)/C(=O)N(C)C WXVL_AN0032SA1933 [0,2,0,0,0,0|2,0,0]=4 599 B14R1.425 C/C(=C\c1cccnc1)/C(=O)N(C)C WXVL_AN0032SA1933 [0,2,0,0,0,0|2,0,0]=4 600 B14R1.425 C=C(Cc1ccccc1)C(=O)N(C)C WXVL_AN0032SB0413 [0,2,0,0,0,0|1,0,1]=4 601 B14R1.425 C=C(Cc1ccccc1)C(=O)N(C)C WXVL_AN0032SB0413 [0,2,0,0,0,0|1,0,1]=4 602 B14R1.425 CC(C)C(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB2578 [0,2,0,0,0,0|2,0,0]=4 603 B14R1.425 CC(C)C(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB2578 [0,2,0,0,0,0|2,0,0]=4 604 B14R1.1007 CCC(=O)C(=O)Nc1ccccc1Br WXVL_AG00180SB0344 [0,2,0,0,0,0|2,0,0]=4 605 B14R1.1007 CCC(=O)C(=O)Nc1ccccc1Br WXVL_AG00180SB0344 [0,2,0,0,0,0|2,0,0]=4 606 B14R1.1007 CCC(=O)C(=O)Nc1ccccc1C WXVL_AG0027SB0344 [0,2,0,0,0,0|2,0,0]=4 607 B14R1.1007 CCC(=O)C(=O)Nc1ccccc1C WXVL_AG0027SB0344 [0,2,0,0,0,0|2,0,0]=4 608 B14R1.1007 CCC(=O)C(=O)Nc1ccccc1Cl WXVL_AG00129SB0344 [0,2,0,0,0,0|2,0,0]=4 609 B14R1.1007 CCC(=O)C(=O)Nc1ccccc1Cl WXVL_AG00129SB0344 [0,2,0,0,0,0|2,0,0]=4 610 B14R1.1007 CCC(=O)C(=O)Nc1ccccc1I WXVL_AG0385SB0344 [0,2,0,0,0,0|2,0,0]=4 611 B14R1.1007 CCC(=O)C(=O)Nc1ccccc1I WXVL_AG0385SB0344 [0,2,0,0,0,0|2,0,0]=4 612 B14R1.6395 CN(C)S(=O)(=O)/C=C/c1ccccc1 WXVL_AN0032HU0026 [0,2,0,0,0,0|2,0,0]=4 613 B14R1.6395 CN(C)S(=O)(=O)/C=C/c1ccccc1 WXVL_AN0032HU0026 [0,2,0,0,0,0|2,0,0]=4 614 B14R1.161 CN(C)C(=O)C=Cc1ccccc1Br WXVL_AN0032SB3065 [0,2,0,0,0,0|1,0,0]=3 615 B14R1.161 CN(C)C(=O)C=Cc1ccccc1Br WXVL_AN0032SB3065 [0,2,0,0,0,0|1,0,0]=3 616 B12R2.2 c1cc(ccn1)c2ccon2 WXVL_LR0685BT0574 [1,0,0,1,0,0|2,0,0]=4 617 B12R2.2 c1ccc(cc1)c2cccs2 WXVL_LR0498BT0919 [1,0,0,1,0,0|2,0,0]=4 618 B12R2.2 c1ccc(cc1)c2cccs2 WXVL_LR0498BT1115 [1,0,0,1,0,0|2,0,0]=4 619 B12R2.2 c1ccc(cc1)c2cccs2 WXVL_LR0498BT2957 [1,0,0,1,0,0|2,0,0]=4 620 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT0919 [1,0,0,1,0,0|1,0,0]=3 621 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT1115 [1,0,0,1,0,0|1,0,0]=3 622 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT2957 [1,0,0,1,0,0|1,0,0]=3 623 B12R2.2 c1ccc(cc1)c2cnoc2 WXVL_LR0706BT0919 [1,0,0,1,0,0|1,0,1]=4 624 B12R2.2 c1ccc(cc1)c2cnoc2 WXVL_LR0706BT1115 [1,0,0,1,0,0|1,0,1]=4 625 B12R2.2 c1ccc(cc1)c2cnoc2 WXVL_LR0706BT2957 [1,0,0,1,0,0|1,0,1]=4 626 B12R2.2 c1ccc(nc1)c2ccon2 WXVL_LR0685BT0164 [1,0,0,1,0,0|2,0,0]=4 627 B12R2.2 c1cncc(c1)c2ccon2 WXVL_LR0685BT1208 [1,0,0,1,0,0|2,0,0]=4 628 B12R2.2 c1cncc(c1)c2ccon2 WXVL_LR0685BT3912 [1,0,0,1,0,0|2,0,0]=4 629 B14R2.8 COc1ccc(s1)c2ccccc2 WXVL_LR1529BT0919 [0,0,0,1,0,1|0,1,0]=3 630 B14R2.8 COc1ccc(s1)c2ccccc2 WXVL_LR1529BT1115 [0,0,0,1,0,1|0,1,0]=3 631 B14R2.8 COc1ccc(s1)c2ccccc2 WXVL_LR1529BT2957 [0,0,0,1,0,1|0,1,0]=3 632 B14R2.8 COc1ccc(s1)c2ccccn2 WXVL_LR1529BT0164 [0,0,0,1,0,1|1,1,0]=4 633 B14R2.8 COc1ccc(s1)c2cccnc2 WXVL_LR1529BT1208 [0,0,0,1,0,1|1,1,0]=4 634 B14R2.8 COc1ccc(s1)c2cccnc2 WXVL_LR1529BT3912 [0,0,0,1,0,1|1,1,0]=4 635 B14R2.8 COc1ccc(s1)c2ccncc2 WXVL_LR1529BT0574 [0,0,0,1,0,1|1,1,0]=4 636 B14R2.8 COc1nc(cs1)c2ccccc2 WXVL_LR0559BT0919 [0,0,0,1,0,1|1,0,0]=3 637 B14R2.8 COc1nc(cs1)c2ccccc2 WXVL_LR0559BT1115 [0,0,0,1,0,1|1,0,0]=3 638 B14R2.8 COc1nc(cs1)c2ccccc2 WXVL_LR0559BT2957 [0,0,0,1,0,1|1,0,0]=3 639 B14R2.8 COc1nc(cs1)c2ccccn2 WXVL_LR0559BT0164 [0,0,0,1,0,1|2,0,0]=4 640 B14R2.8 COc1nc(cs1)c2cccnc2 WXVL_LR0559BT1208 [0,0,0,1,0,1|2,0,0]=4 641 B14R2.8 COc1nc(cs1)c2cccnc2 WXVL_LR0559BT3912 [0,0,0,1,0,1|2,0,0]=4 642 B14R2.8 COc1nc(cs1)c2ccncc2 WXVL_LR0559BT0574 [0,0,0,1,0,1|2,0,0]=4 643 B14R2.95 CNC(=O)c1c[nH]c2c1cccn2 WXVL_AK00442SE0048 [0,0,0,1,0,1|2,0,0]=4 644 B14R2.95 CNC(=O)c1c[nH]c2c1cccn2 WXVL_AK00442SE0048 [0,0,0,1,0,1|2,0,0]=4 645 B14R2.95 CNC(=O)c1c[nH]c2c1ccnc2 WXVL_AK00442SE0638 [0,0,0,1,0,1|2,0,0]=4 646 B14R2.95 CNC(=O)c1c[nH]c2c1ccnc2 WXVL_AK00442SE0638 [0,0,0,1,0,1|2,0,0]=4 647 B14R2.95 CNC(=O)c1cnc2n1cccc2 WXVL_AK00442SE0102 [0,0,0,1,0,1|2,0,0]=4 648 B14R2.95 CNC(=O)c1cnc2n1cccc2 WXVL_AK00442SE0102 [0,0,0,1,0,1|2,0,0]=4 649 B14R2.95 CNC(=O)c1cnn2c1cccc2 WXVL_AK00442SE0033 [0,0,0,1,0,1|2,0,0]=4 650 B14R2.95 CNC(=O)c1cnn2c1cccc2 WXVL_AK00442SE0033 [0,0,0,1,0,1|2,0,0]=4 651 B14R2.95 CNC(=O)c1coc2c1cccc2 WXVL_AK00442SE0302 [0,0,0,1,0,1|1,0,0]=3 652 B14R2.95 CNC(=O)c1coc2c1cccc2 WXVL_AK00442SE0302 [0,0,0,1,0,1|1,0,0]=3 653 B14R2.95 CNC(=O)c1csc2c1cccc2 WXVL_AK00442SE0108 [0,0,0,1,0,1|1,0,0]=3 654 B14R2.95 CNC(=O)c1csc2c1cccc2 WXVL_AK00442SE0108 [0,0,0,1,0,1|1,0,0]=3 655 B14R2.95 CNC(=O)c1n[nH]c2c1cccc2 WXVL_AK00442SE0379 [0,0,0,1,0,1|2,0,0]=4 656 B14R2.95 CNC(=O)c1n[nH]c2c1cccc2 WXVL_AK00442SE0379 [0,0,0,1,0,1|2,0,0]=4 657 B14R2.95 CNC(=O)c1onc2c1cccc2 WXVL_AK00442SE0896 [0,0,0,1,0,1|2,0,0]=4 658 B14R2.95 CNC(=O)c1onc2c1cccc2 WXVL_AK00442SE0896 [0,0,0,1,0,1|2,0,0]=4 659 B14R2.260 Cc1cc(nn1C)c2ccccc2 WXVL_LR0439BT0919 [0,1,0,1,0,0|2,0,0]=4 660 B14R2.260 Cc1cc(nn1C)c2ccccc2 WXVL_LR0439BT1115 [0,1,0,1,0,0|2,0,0]=4 661 B14R2.260 Cc1cc(nn1C)c2ccccc2 WXVL_LR0439BT2957 [0,1,0,1,0,0|2,0,0]=4 662 B14R2.598 Cc1cc(c(s1)C)c2ccccc2 WXVL_LR1593BT0919 [0,1,0,1,0,0|1,1,0]=4 663 B14R2.598 Cc1cc(c(s1)C)c2ccccc2 WXVL_LR1593BT1115 [0,1,0,1,0,0|1,1,0]=4 664 B14R2.598 Cc1cc(c(s1)C)c2ccccc2 WXVL_LR1593BT2957 [0,1,0,1,0,0|1,1,0]=4 665 B14R2.972 CNC(=O)c1cc2ccccc2[nH]1 WXVL_AK00442SE0001 [0,1,0,1,0,0|1,0,0]=3 666 B14R2.972 CNC(=O)c1cc2ccccc2[nH]1 WXVL_AK00442SE0001 [0,1,0,1,0,0|1,0,0]=3 667 B14R2.972 CNC(=O)c1cc2ccccc2o1 WXVL_AK00442SE0105 [0,1,0,1,0,0|1,0,0]=3 668 B14R2.972 CNC(=O)c1cc2ccccc2o1 WXVL_AK00442SE0105 [0,1,0,1,0,0|1,0,0]=3 669 B14R2.972 CNC(=O)c1cc2ccccc2s1 WXVL_AK00442SE0107 [0,1,0,1,0,0|1,0,0]=3 670 B14R2.972 CNC(=O)c1cc2ccccc2s1 WXVL_AK00442SE0107 [0,1,0,1,0,0|1,0,0]=3 671 B14R2.972 CNC(=O)c1cc2ccccn2n1 WXVL_AK00442SE0030 [0,1,0,1,0,0|2,0,0]=4 672 B14R2.972 CNC(=O)c1cc2ccccn2n1 WXVL_AK00442SE0030 [0,1,0,1,0,0|2,0,0]=4 673 B14R2.972 CNC(=O)c1cc2cccnc2[nH]1 WXVL_AK00442SE0450 [0,1,0,1,0,0|2,0,0]=4 674 B14R2.972 CNC(=O)c1cc2cccnc2[nH]1 WXVL_AK00442SE0450 [0,1,0,1,0,0|2,0,0]=4 675 B14R2.972 CNC(=O)c1cc2cccnc2s1 WXVL_AK00442SE0061 [0,1,0,1,0,0|2,0,0]=4 676 B14R2.972 CNC(=O)c1cc2cccnc2s1 WXVL_AK00442SE0061 [0,1,0,1,0,0|2,0,0]=4 677 B14R2.972 CNC(=O)c1cc2cnccc2[nH]1 WXVL_AK00442SE0511 [0,1,0,1,0,0|2,0,0]=4 678 B14R2.972 CNC(=O)c1cc2cnccc2[nH]1 WXVL_AK00442SE0511 [0,1,0,1,0,0|2,0,0]=4 679 B14R2.972 CNC(=O)c1cc2ncccc2[nH]1 WXVL_AK00442SE0680 [0,1,0,1,0,0|2,0,0]=4 680 B14R2.972 CNC(=O)c1cc2ncccc2[nH]1 WXVL_AK00442SE0680 [0,1,0,1,0,0|2,0,0]=4 681 B14R2.972 CNC(=O)c1nc2ccccc2[nH]1 WXVL_AK00442SE0026 [0,1,0,1,0,0|2,0,0]=4 682 B14R2.972 CNC(=O)c1nc2ccccc2[nH]1 WXVL_AK00442SE0026 [0,1,0,1,0,0|2,0,0]=4 683 B14R2.972 CNC(=O)c1nc2ccccc2o1 WXVL_AK00442SE0704 [0,1,0,1,0,0|2,0,0]=4 684 B14R2.972 CNC(=O)c1nc2ccccc2o1 WXVL_AK00442SE0704 [0,1,0,1,0,0|2,0,0]=4 685 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [1,0,0,0,1,0|1,0,0]=3 686 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [1,0,0,0,1,0|1,0,0]=3 687 B10R1.18 CC(=O)Nc1ccccn1 WXVL_AF00298SB0150 [1,0,0,0,1,0|2,0,0]=4 688 B10R1.18 CC(=O)Nc1ccccn1 WXVL_AF00298SB0150 [1,0,0,0,1,0|2,0,0]=4 689 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [1,0,0,0,1,0|1,0,1]=4 690 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [1,0,0,0,1,0|1,0,1]=4 691 B10R1.66 NC(=O)/C=C/c1ccco1 WXVL_AK0084SA0180 [1,0,0,0,1,0|2,0,0]=4 692 B10R1.66 NC(=O)/C=C/c1ccco1 WXVL_AK0084SA0180 [1,0,0,0,1,0|2,0,0]=4 693 B10R1.66 NC(=O)/C=C/c1cccs1 WXVL_AK0084SA0001 [1,0,0,0,1,0|2,0,0]=4 694 B10R1.66 NC(=O)/C=C/c1cccs1 WXVL_AK0084SA0001 [1,0,0,0,1,0|2,0,0]=4 695 B10R1.66 NC(=O)/C=C/c1ccoc1 WXVL_AK0084SA0047 [1,0,0,0,1,0|2,0,0]=4 696 B10R1.66 NC(=O)/C=C/c1ccoc1 WXVL_AK0084SA0047 [1,0,0,0,1,0|2,0,0]=4 697 B10R1.66 NC(=O)/C=C/c1ccsc1 WXVL_AK0084SA0251 [1,0,0,0,1,0|2,0,0]=4 698 B10R1.66 NC(=O)/C=C/c1ccsc1 WXVL_AK0084SA0251 [1,0,0,0,1,0|2,0,0]=4 699 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [0,0,0,0,2,0|1,0,0]=3 700 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [0,0,0,0,2,0|1,0,0]=3 701 B10R1.15 CNC(=O)c1ccccn1 WXVL_AK00442SC0058 [0,0,0,0,2,0|2,0,0]=4 702 B10R1.15 CNC(=O)c1ccccn1 WXVL_AK00442SC0058 [0,0,0,0,2,0|2,0,0]=4 703 B10R1.15 CNC(=O)c1cccnc1 WXVL_AK00442SC0061 [0,0,0,0,2,0|2,0,0]=4 704 B10R1.15 CNC(=O)c1cccnc1 WXVL_AK00442SC0061 [0,0,0,0,2,0|2,0,0]=4 705 B10R1.15 CNC(=O)c1ccncc1 WXVL_AK00442SC0062 [0,0,0,0,2,0|2,0,0]=4 706 B10R1.15 CNC(=O)c1ccncc1 WXVL_AK00442SC0062 [0,0,0,0,2,0|2,0,0]=4 707 B14R1.716 C#CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0338 [0,0,0,0,0,2|1,0,1]=4 708 B14R1.716 C#CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0338 [0,0,0,0,0,2|1,0,1]=4 709 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0064 [0,0,0,0,0,2|1,0,0]=3 710 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0064 [0,0,0,0,0,2|1,0,0]=3 711 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 WXVL_AK00073SB2706 [0,0,0,0,0,2|2,0,0]=4 712 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 WXVL_AK00073SB2706 [0,0,0,0,0,2|2,0,0]=4