0 B14R1.156 C=CCNC(=O)/C=C/c1ccccc1 WXVL_AK00561SB0115 [0,0,0,0,0,0|1,0,2]=3 1 B14R1.156 C=CCNC(=O)/C=C/c1ccccc1 WXVL_AK00561SB0115 [0,0,0,0,0,0|1,0,2]=3 2 B14R1.156 C=CCNC(=O)/C=C/c1cccnc1 WXVL_AK00561SA0193 [0,0,0,0,0,0|2,0,2]=4 3 B14R1.156 C=CCNC(=O)/C=C/c1cccnc1 WXVL_AK00561SA0193 [0,0,0,0,0,0|2,0,2]=4 4 B14R1.156 CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00504SB0115 [0,0,0,0,0,0|1,0,0]=1 5 B14R1.156 CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00504SB0115 [0,0,0,0,0,0|1,0,0]=1 6 B14R1.156 CCCNC(=O)/C=C/c1cccnc1 WXVL_AK00504SA0193 [0,0,0,0,0,0|2,0,0]=2 7 B14R1.156 CCCNC(=O)/C=C/c1cccnc1 WXVL_AK00504SA0193 [0,0,0,0,0,0|2,0,0]=2 8 B14R1.156 CCCNC(=O)/C=C/c1cnccn1 WXVL_AK00504SA2885 [0,0,0,0,0,0|3,0,0]=3 9 B14R1.156 CCCNC(=O)/C=C/c1cnccn1 WXVL_AK00504SA2885 [0,0,0,0,0,0|3,0,0]=3 10 B14R1.156 CCCNC(=O)C#Cc1ccccc1 WXVL_AK00504SB0114 [0,0,0,0,0,0|1,0,2]=3 11 B14R1.156 CCCNC(=O)C#Cc1ccccc1 WXVL_AK00504SB0114 [0,0,0,0,0,0|1,0,2]=3 12 B14R1.156 CCCNC(=O)CCc1ccccc1 WXVL_AK00504SB0067 [0,0,0,0,0,0|1,0,2]=3 13 B14R1.156 CCCNC(=O)CCc1ccccc1 WXVL_AK00504SB0067 [0,0,0,0,0,0|1,0,2]=3 14 B14R1.156 CCCNC(=O)CCc1ccccn1 WXVL_AK00504SA0316 [0,0,0,0,0,0|2,0,2]=4 15 B14R1.156 CCCNC(=O)CCc1ccccn1 WXVL_AK00504SA0316 [0,0,0,0,0,0|2,0,2]=4 16 B14R1.156 CCCNC(=O)CCc1cccnc1 WXVL_AK00504SA0031 [0,0,0,0,0,0|2,0,2]=4 17 B14R1.156 CCCNC(=O)CCc1cccnc1 WXVL_AK00504SA0031 [0,0,0,0,0,0|2,0,2]=4 18 B14R1.156 CCCNC(=O)COc1ccccc1 WXVL_AK00504SB0086 [0,0,0,0,0,0|2,0,1]=3 19 B14R1.156 CCCNC(=O)COc1ccccc1 WXVL_AK00504SB0086 [0,0,0,0,0,0|2,0,1]=3 20 B14R1.156 CCCNC(=O)COc1cccnc1 WXVL_AK00504SA0051 [0,0,0,0,0,0|3,0,1]=4 21 B14R1.156 CCCNC(=O)COc1cccnc1 WXVL_AK00504SA0051 [0,0,0,0,0,0|3,0,1]=4 22 B14R1.156 CCCNC(=O)CSc1ccccc1 WXVL_AK00504SB0113 [0,0,0,0,0,0|2,0,1]=3 23 B14R1.156 CCCNC(=O)CSc1ccccc1 WXVL_AK00504SB0113 [0,0,0,0,0,0|2,0,1]=3 24 B14R1.156 CCCNC(=O)CSc1ccncc1 WXVL_AK00504SA0055 [0,0,0,0,0,0|3,0,1]=4 25 B14R1.156 CCCNC(=O)CSc1ccncc1 WXVL_AK00504SA0055 [0,0,0,0,0,0|3,0,1]=4 26 B14R1.156 CCOCC(=O)NCc1ccccc1 WXVL_AK00502SB0091 [0,0,0,0,0,0|3,0,1]=4 27 B14R1.156 CCOCC(=O)NCc1ccccc1 WXVL_AK00502SB0091 [0,0,0,0,0,0|3,0,1]=4 28 B14R1.156 CCSCC(=O)NCc1ccccc1 WXVL_AK00502SB0002 [0,0,0,0,0,0|3,0,1]=4 29 B14R1.156 CCSCC(=O)NCc1ccccc1 WXVL_AK00502SB0002 [0,0,0,0,0,0|3,0,1]=4 30 B14R1.156 COCCC(=O)NCc1ccccc1 WXVL_AK00502SB0156 [0,0,0,0,0,0|3,0,1]=4 31 B14R1.156 COCCC(=O)NCc1ccccc1 WXVL_AK00502SB0156 [0,0,0,0,0,0|3,0,1]=4 32 B14R1.156 CSCCC(=O)NCc1ccccc1 WXVL_AK00502SB0361 [0,0,0,0,0,0|3,0,1]=4 33 B14R1.156 CSCCC(=O)NCc1ccccc1 WXVL_AK00502SB0361 [0,0,0,0,0,0|3,0,1]=4 34 B14R1.156 N#CCNC(=O)/C=C/c1ccccc1 WXVL_AK0683SB0115 [0,0,0,0,0,0|2,0,1]=3 35 B14R1.156 N#CCNC(=O)/C=C/c1ccccc1 WXVL_AK0683SB0115 [0,0,0,0,0,0|2,0,1]=3 36 B14R1.156 N#CCNC(=O)/C=C/c1cccnc1 WXVL_AK0683SA0193 [0,0,0,0,0,0|3,0,1]=4 37 B14R1.156 N#CCNC(=O)/C=C/c1cccnc1 WXVL_AK0683SA0193 [0,0,0,0,0,0|3,0,1]=4 38 B14R1.156 O=C(/C=C/c1ccccc1)NCCF WXVL_AK00466SB0115 [0,0,0,0,0,0|2,0,0]=2 39 B14R1.156 O=C(/C=C/c1ccccc1)NCCF WXVL_AK00466SB0115 [0,0,0,0,0,0|2,0,0]=2 40 B14R1.156 O=C(/C=C/c1cccnc1)NCCF WXVL_AK00466SA0193 [0,0,0,0,0,0|3,0,0]=3 41 B14R1.156 O=C(/C=C/c1cccnc1)NCCF WXVL_AK00466SA0193 [0,0,0,0,0,0|3,0,0]=3 42 B14R1.156 O=C(/C=C/c1cnccn1)NCCF WXVL_AK00466SA2885 [0,0,0,0,0,0|4,0,0]=4 43 B14R1.156 O=C(/C=C/c1cnccn1)NCCF WXVL_AK00466SA2885 [0,0,0,0,0,0|4,0,0]=4 44 B14R1.156 O=C(C#Cc1ccccc1)NCCF WXVL_AK00466SB0114 [0,0,0,0,0,0|2,0,2]=4 45 B14R1.156 O=C(C#Cc1ccccc1)NCCF WXVL_AK00466SB0114 [0,0,0,0,0,0|2,0,2]=4 46 B14R1.156 O=C(CCc1ccccc1)NCCF WXVL_AK00466SB0067 [0,0,0,0,0,0|2,0,2]=4 47 B14R1.156 O=C(CCc1ccccc1)NCCF WXVL_AK00466SB0067 [0,0,0,0,0,0|2,0,2]=4 48 B14R1.156 O=C(COc1ccccc1)NCCF WXVL_AK00466SB0086 [0,0,0,0,0,0|3,0,1]=4 49 B14R1.156 O=C(COc1ccccc1)NCCF WXVL_AK00466SB0086 [0,0,0,0,0,0|3,0,1]=4 50 B14R1.156 O=C(CSc1ccccc1)NCCF WXVL_AK00466SB0113 [0,0,0,0,0,0|3,0,1]=4 51 B14R1.156 O=C(CSc1ccccc1)NCCF WXVL_AK00466SB0113 [0,0,0,0,0,0|3,0,1]=4 52 B14R1.156 O=C(NCCCl)NCc1ccccc1 WXVL_AK00502YV0092 [0,0,0,0,0,0|3,0,1]=4 53 B14R1.156 O=C(NCCCl)NCc1ccccc1 WXVL_AK00502YV0092 [0,0,0,0,0,0|3,0,1]=4 54 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [1,0,0,0,0,0|1,0,1]=3 55 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [1,0,0,0,0,0|1,0,1]=3 56 B13R1.42 CCCC(=O)NCc1ccccn1 WXVL_AK0018SB0073 [1,0,0,0,0,0|2,0,1]=4 57 B13R1.42 CCCC(=O)NCc1ccccn1 WXVL_AK0018SB0073 [1,0,0,0,0,0|2,0,1]=4 58 B13R1.42 CCCC(=O)NCc1cccnc1 WXVL_AK0020SB0073 [1,0,0,0,0,0|2,0,1]=4 59 B13R1.42 CCCC(=O)NCc1cccnc1 WXVL_AK0020SB0073 [1,0,0,0,0,0|2,0,1]=4 60 B13R1.42 CCCC(=O)NCc1ccncc1 WXVL_AK0021SB0073 [1,0,0,0,0,0|2,0,1]=4 61 B13R1.42 CCCC(=O)NCc1ccncc1 WXVL_AK0021SB0073 [1,0,0,0,0,0|2,0,1]=4 62 B13R1.42 CCNC(=O)/C=C/c1ccccc1 WXVL_AK00476SB0115 [1,0,0,0,0,0|1,0,0]=2 63 B13R1.42 CCNC(=O)/C=C/c1ccccc1 WXVL_AK00476SB0115 [1,0,0,0,0,0|1,0,0]=2 64 B13R1.42 CCNC(=O)/C=C/c1cccnc1 WXVL_AK00476SA0193 [1,0,0,0,0,0|2,0,0]=3 65 B13R1.42 CCNC(=O)/C=C/c1cccnc1 WXVL_AK00476SA0193 [1,0,0,0,0,0|2,0,0]=3 66 B13R1.42 CCNC(=O)/C=C/c1cnccn1 WXVL_AK00476SA2885 [1,0,0,0,0,0|3,0,0]=4 67 B13R1.42 CCNC(=O)/C=C/c1cnccn1 WXVL_AK00476SA2885 [1,0,0,0,0,0|3,0,0]=4 68 B13R1.42 CCNC(=O)C#Cc1ccccc1 WXVL_AK00476SB0114 [1,0,0,0,0,0|1,0,2]=4 69 B13R1.42 CCNC(=O)C#Cc1ccccc1 WXVL_AK00476SB0114 [1,0,0,0,0,0|1,0,2]=4 70 B13R1.42 CCNC(=O)CCc1ccccc1 WXVL_AK00476SB0067 [1,0,0,0,0,0|1,0,2]=4 71 B13R1.42 CCNC(=O)CCc1ccccc1 WXVL_AK00476SB0067 [1,0,0,0,0,0|1,0,2]=4 72 B13R1.42 CCNC(=O)COc1ccccc1 WXVL_AK00476SB0086 [1,0,0,0,0,0|2,0,1]=4 73 B13R1.42 CCNC(=O)COc1ccccc1 WXVL_AK00476SB0086 [1,0,0,0,0,0|2,0,1]=4 74 B13R1.42 CCNC(=O)CSc1ccccc1 WXVL_AK00476SB0113 [1,0,0,0,0,0|2,0,1]=4 75 B13R1.42 CCNC(=O)CSc1ccccc1 WXVL_AK00476SB0113 [1,0,0,0,0,0|2,0,1]=4 76 B13R1.42 COCC(=O)NCc1ccccc1 WXVL_AK00502SB0090 [1,0,0,0,0,0|2,0,1]=4 77 B13R1.42 COCC(=O)NCc1ccccc1 WXVL_AK00502SB0090 [1,0,0,0,0,0|2,0,1]=4 78 B13R1.42 CSCC(=O)NCc1ccccc1 WXVL_AK00502SB1267 [1,0,0,0,0,0|2,0,1]=4 79 B13R1.42 CSCC(=O)NCc1ccccc1 WXVL_AK00502SB1267 [1,0,0,0,0,0|2,0,1]=4 80 B15R1.78 C#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK3109SB0115 [0,1,0,0,0,0|1,0,1]=3 81 B15R1.78 C#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK3109SB0115 [0,1,0,0,0,0|1,0,1]=3 82 B15R1.78 C#CCCNC(=O)/C=C/c1cccnc1 WXVL_AK3109SA0193 [0,1,0,0,0,0|2,0,1]=4 83 B15R1.78 C#CCCNC(=O)/C=C/c1cccnc1 WXVL_AK3109SA0193 [0,1,0,0,0,0|2,0,1]=4 84 B15R1.78 C=CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00138SB0115 [0,1,0,0,0,0|1,0,1]=3 85 B15R1.78 C=CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00138SB0115 [0,1,0,0,0,0|1,0,1]=3 86 B15R1.78 C=CCCNC(=O)/C=C/c1cccnc1 WXVL_AK00138SA0193 [0,1,0,0,0,0|2,0,1]=4 87 B15R1.78 C=CCCNC(=O)/C=C/c1cccnc1 WXVL_AK00138SA0193 [0,1,0,0,0,0|2,0,1]=4 88 B15R1.78 CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00588SB0115 [0,1,0,0,0,0|1,0,0]=2 89 B15R1.78 CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00588SB0115 [0,1,0,0,0,0|1,0,0]=2 90 B15R1.78 CCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00588SA0193 [0,1,0,0,0,0|2,0,0]=3 91 B15R1.78 CCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00588SA0193 [0,1,0,0,0,0|2,0,0]=3 92 B15R1.78 CCCCNC(=O)/C=C/c1cnccn1 WXVL_AK00588SA2885 [0,1,0,0,0,0|3,0,0]=4 93 B15R1.78 CCCCNC(=O)/C=C/c1cnccn1 WXVL_AK00588SA2885 [0,1,0,0,0,0|3,0,0]=4 94 B15R1.78 CCCCNC(=O)C#Cc1ccccc1 WXVL_AK00588SB0114 [0,1,0,0,0,0|1,0,2]=4 95 B15R1.78 CCCCNC(=O)C#Cc1ccccc1 WXVL_AK00588SB0114 [0,1,0,0,0,0|1,0,2]=4 96 B15R1.78 CCCCNC(=O)CCc1ccccc1 WXVL_AK00588SB0067 [0,1,0,0,0,0|1,0,2]=4 97 B15R1.78 CCCCNC(=O)CCc1ccccc1 WXVL_AK00588SB0067 [0,1,0,0,0,0|1,0,2]=4 98 B15R1.78 CCCCNC(=O)COc1ccccc1 WXVL_AK00588SB0086 [0,1,0,0,0,0|2,0,1]=4 99 B15R1.78 CCCCNC(=O)COc1ccccc1 WXVL_AK00588SB0086 [0,1,0,0,0,0|2,0,1]=4 100 B15R1.78 CCCCNC(=O)CSc1ccccc1 WXVL_AK00588SB0113 [0,1,0,0,0,0|2,0,1]=4 101 B15R1.78 CCCCNC(=O)CSc1ccccc1 WXVL_AK00588SB0113 [0,1,0,0,0,0|2,0,1]=4 102 B15R1.78 CSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00440SB0115 [0,1,0,0,0,0|1,0,0]=2 103 B15R1.78 CSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00440SB0115 [0,1,0,0,0,0|1,0,0]=2 104 B15R1.78 CSCCNC(=O)/C=C/c1cccnc1 WXVL_AK00440SA0193 [0,1,0,0,0,0|2,0,0]=3 105 B15R1.78 CSCCNC(=O)/C=C/c1cccnc1 WXVL_AK00440SA0193 [0,1,0,0,0,0|2,0,0]=3 106 B15R1.78 CSCCNC(=O)/C=C/c1cnccn1 WXVL_AK00440SA2885 [0,1,0,0,0,0|3,0,0]=4 107 B15R1.78 CSCCNC(=O)/C=C/c1cnccn1 WXVL_AK00440SA2885 [0,1,0,0,0,0|3,0,0]=4 108 B15R1.78 CSCCNC(=O)C#Cc1ccccc1 WXVL_AK00440SB0114 [0,1,0,0,0,0|1,0,2]=4 109 B15R1.78 CSCCNC(=O)C#Cc1ccccc1 WXVL_AK00440SB0114 [0,1,0,0,0,0|1,0,2]=4 110 B15R1.78 CSCCNC(=O)CCc1ccccc1 WXVL_AK00440SB0067 [0,1,0,0,0,0|1,0,2]=4 111 B15R1.78 CSCCNC(=O)CCc1ccccc1 WXVL_AK00440SB0067 [0,1,0,0,0,0|1,0,2]=4 112 B15R1.78 CSCCNC(=O)COc1ccccc1 WXVL_AK00440SB0086 [0,1,0,0,0,0|2,0,1]=4 113 B15R1.78 CSCCNC(=O)COc1ccccc1 WXVL_AK00440SB0086 [0,1,0,0,0,0|2,0,1]=4 114 B15R1.78 CSCCNC(=O)CSc1ccccc1 WXVL_AK00440SB0113 [0,1,0,0,0,0|2,0,1]=4 115 B15R1.78 CSCCNC(=O)CSc1ccccc1 WXVL_AK00440SB0113 [0,1,0,0,0,0|2,0,1]=4 116 B15R1.78 N#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK0087SB0115 [0,1,0,0,0,0|1,0,1]=3 117 B15R1.78 N#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK0087SB0115 [0,1,0,0,0,0|1,0,1]=3 118 B15R1.78 N#CCCNC(=O)/C=C/c1cccnc1 WXVL_AK0087SA0193 [0,1,0,0,0,0|2,0,1]=4 119 B15R1.78 N#CCCNC(=O)/C=C/c1cccnc1 WXVL_AK0087SA0193 [0,1,0,0,0,0|2,0,1]=4 120 B15R1.78 O=C(/C=C/c1ccccc1)NCCCO WXVL_AK0073SB0115 [0,1,0,0,0,0|1,0,0]=2 121 B15R1.78 O=C(/C=C/c1ccccc1)NCCCO WXVL_AK0073SB0115 [0,1,0,0,0,0|1,0,0]=2 122 B15R1.78 O=C(/C=C/c1cccnc1)NCCCO WXVL_AK0073SA0193 [0,1,0,0,0,0|2,0,0]=3 123 B15R1.78 O=C(/C=C/c1cccnc1)NCCCO WXVL_AK0073SA0193 [0,1,0,0,0,0|2,0,0]=3 124 B15R1.78 O=C(/C=C/c1cnccn1)NCCCO WXVL_AK0073SA2885 [0,1,0,0,0,0|3,0,0]=4 125 B15R1.78 O=C(/C=C/c1cnccn1)NCCCO WXVL_AK0073SA2885 [0,1,0,0,0,0|3,0,0]=4 126 B15R1.78 O=C(C#Cc1ccccc1)NCCCO WXVL_AK0073SB0114 [0,1,0,0,0,0|1,0,2]=4 127 B15R1.78 O=C(C#Cc1ccccc1)NCCCO WXVL_AK0073SB0114 [0,1,0,0,0,0|1,0,2]=4 128 B15R1.78 O=C(CCCCBr)NCc1ccccc1 WXVL_AK00502SB3153 [0,1,0,0,0,0|2,0,1]=4 129 B15R1.78 O=C(CCCCBr)NCc1ccccc1 WXVL_AK00502SB3153 [0,1,0,0,0,0|2,0,1]=4 130 B15R1.78 O=C(CCCCCl)NCc1ccccc1 WXVL_AK00502SB0379 [0,1,0,0,0,0|2,0,1]=4 131 B15R1.78 O=C(CCCCCl)NCc1ccccc1 WXVL_AK00502SB0379 [0,1,0,0,0,0|2,0,1]=4 132 B15R1.78 O=C(CCc1ccccc1)NCCCO WXVL_AK0073SB0067 [0,1,0,0,0,0|1,0,2]=4 133 B15R1.78 O=C(CCc1ccccc1)NCCCO WXVL_AK0073SB0067 [0,1,0,0,0,0|1,0,2]=4 134 B15R1.78 O=C(COc1ccccc1)NCCCO WXVL_AK0073SB0086 [0,1,0,0,0,0|2,0,1]=4 135 B15R1.78 O=C(COc1ccccc1)NCCCO WXVL_AK0073SB0086 [0,1,0,0,0,0|2,0,1]=4 136 B15R1.78 O=C(CSc1ccccc1)NCCCO WXVL_AK0073SB0113 [0,1,0,0,0,0|2,0,1]=4 137 B15R1.78 O=C(CSc1ccccc1)NCCCO WXVL_AK0073SB0113 [0,1,0,0,0,0|2,0,1]=4 138 B15R1.78 O=C(NCCCCl)NCc1ccccc1 WXVL_AK00502YV0130 [0,1,0,0,0,0|2,0,1]=4 139 B15R1.78 O=C(NCCCCl)NCc1ccccc1 WXVL_AK00502YV0130 [0,1,0,0,0,0|2,0,1]=4 140 B15R1.115 CCCNC(=O)CC(C)c1ccccc1 WXVL_AK00504SB0419 [0,1,0,0,0,0|1,0,2]=4 141 B15R1.115 CCCNC(=O)CC(C)c1ccccc1 WXVL_AK00504SB0419 [0,1,0,0,0,0|1,0,2]=4 142 B15R1.115 CCCNC(=O)CC(O)c1ccccc1 WXVL_AK00504SB2325 [0,1,0,0,0,0|1,0,2]=4 143 B15R1.115 CCCNC(=O)CC(O)c1ccccc1 WXVL_AK00504SB2325 [0,1,0,0,0,0|1,0,2]=4 144 B15R1.115 CCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00504YV0027 [0,1,0,0,0,0|2,0,0]=3 145 B15R1.115 CCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00504YV0027 [0,1,0,0,0,0|2,0,0]=3 146 B15R1.115 CCCNC(=O)N[C@@H](C)c1ccccc1 WXVL_AK00504YV0029 [0,1,0,0,0,0|2,0,1]=4 147 B15R1.115 CCCNC(=O)N[C@@H](C)c1ccccc1 WXVL_AK00504YV0029 [0,1,0,0,0,0|2,0,1]=4 148 B15R1.115 CCCNC(=O)N[C@H](C)c1ccccc1 WXVL_AK00504YV0061 [0,1,0,0,0,0|2,0,1]=4 149 B15R1.115 CCCNC(=O)N[C@H](C)c1ccccc1 WXVL_AK00504YV0061 [0,1,0,0,0,0|2,0,1]=4 150 B15R1.115 O=C(NCCF)NC(=O)c1ccccc1 WXVL_AK00466YV0027 [0,1,0,0,0,0|3,0,0]=4 151 B15R1.115 O=C(NCCF)NC(=O)c1ccccc1 WXVL_AK00466YV0027 [0,1,0,0,0,0|3,0,0]=4 152 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00561SB1601 [0,1,0,0,0,0|1,0,2]=4 153 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00561SB1601 [0,1,0,0,0,0|1,0,2]=4 154 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)O WXVL_AK00561SB0417 [0,1,0,0,0,0|1,0,2]=4 155 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)O WXVL_AK00561SB0417 [0,1,0,0,0,0|1,0,2]=4 156 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00504SB1601 [0,1,0,0,0,0|1,0,0]=2 157 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00504SB1601 [0,1,0,0,0,0|1,0,0]=2 158 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00504SB0417 [0,1,0,0,0,0|1,0,0]=2 159 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00504SB0417 [0,1,0,0,0,0|1,0,0]=2 160 B15R1.127 CCCNC(=O)CCc1cccc(c1)Br WXVL_AK00504SB0278 [0,1,0,0,0,0|1,0,2]=4 161 B15R1.127 CCCNC(=O)CCc1cccc(c1)Br WXVL_AK00504SB0278 [0,1,0,0,0,0|1,0,2]=4 162 B15R1.127 CCCNC(=O)CCc1cccc(c1)C WXVL_AK00504SB1394 [0,1,0,0,0,0|1,0,2]=4 163 B15R1.127 CCCNC(=O)CCc1cccc(c1)C WXVL_AK00504SB1394 [0,1,0,0,0,0|1,0,2]=4 164 B15R1.127 CCCNC(=O)CCc1cccc(c1)O WXVL_AK00504SB3088 [0,1,0,0,0,0|1,0,2]=4 165 B15R1.127 CCCNC(=O)CCc1cccc(c1)O WXVL_AK00504SB3088 [0,1,0,0,0,0|1,0,2]=4 166 B15R1.127 CCCNC(=O)COc1cccc(c1)Cl WXVL_AK00504SB0493 [0,1,0,0,0,0|2,0,1]=4 167 B15R1.127 CCCNC(=O)COc1cccc(c1)Cl WXVL_AK00504SB0493 [0,1,0,0,0,0|2,0,1]=4 168 B15R1.127 CCCNC(=O)NCc1cccc(c1)C WXVL_AK00504YV0178 [0,1,0,0,0,0|2,0,1]=4 169 B15R1.127 CCCNC(=O)NCc1cccc(c1)C WXVL_AK00504YV0178 [0,1,0,0,0,0|2,0,1]=4 170 B15R1.127 CCCNC(=O)NCc1cccc(c1)F WXVL_AK00504YV0073 [0,1,0,0,0,0|2,0,1]=4 171 B15R1.127 CCCNC(=O)NCc1cccc(c1)F WXVL_AK00504YV0073 [0,1,0,0,0,0|2,0,1]=4 172 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0683SB1601 [0,1,0,0,0,0|2,0,1]=4 173 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0683SB1601 [0,1,0,0,0,0|2,0,1]=4 174 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)O WXVL_AK0683SB0417 [0,1,0,0,0,0|2,0,1]=4 175 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)O WXVL_AK0683SB0417 [0,1,0,0,0,0|2,0,1]=4 176 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF WXVL_AK00466SB1601 [0,1,0,0,0,0|2,0,0]=3 177 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF WXVL_AK00466SB1601 [0,1,0,0,0,0|2,0,0]=3 178 B15R1.127 O=C(C=Cc1cccc(c1)O)NCCF WXVL_AK00466SB0417 [0,1,0,0,0,0|2,0,0]=3 179 B15R1.127 O=C(C=Cc1cccc(c1)O)NCCF WXVL_AK00466SB0417 [0,1,0,0,0,0|2,0,0]=3 180 B15R1.139 C=CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00561SB0418 [0,1,0,0,0,0|1,0,2]=4 181 B15R1.139 C=CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00561SB0418 [0,1,0,0,0,0|1,0,2]=4 182 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00561SB1122 [0,1,0,0,0,0|1,0,2]=4 183 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00561SB1122 [0,1,0,0,0,0|1,0,2]=4 184 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00561SB0060 [0,1,0,0,0,0|1,0,2]=4 185 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00561SB0060 [0,1,0,0,0,0|1,0,2]=4 186 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00561SB0119 [0,1,0,0,0,0|1,0,2]=4 187 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00561SB0119 [0,1,0,0,0,0|1,0,2]=4 188 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00561SB1186 [0,1,0,0,0,0|1,0,2]=4 189 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00561SB1186 [0,1,0,0,0,0|1,0,2]=4 190 B15R1.139 CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00504SB0418 [0,1,0,0,0,0|1,0,0]=2 191 B15R1.139 CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00504SB0418 [0,1,0,0,0,0|1,0,0]=2 192 B15R1.139 CCCNC(=O)C#Cc1ccc(cc1)Cl WXVL_AK00504SB3517 [0,1,0,0,0,0|1,0,2]=4 193 B15R1.139 CCCNC(=O)C#Cc1ccc(cc1)Cl WXVL_AK00504SB3517 [0,1,0,0,0,0|1,0,2]=4 194 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00504SB1122 [0,1,0,0,0,0|1,0,0]=2 195 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00504SB1122 [0,1,0,0,0,0|1,0,0]=2 196 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00504SB0060 [0,1,0,0,0,0|1,0,0]=2 197 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00504SB0060 [0,1,0,0,0,0|1,0,0]=2 198 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00504SB0119 [0,1,0,0,0,0|1,0,0]=2 199 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00504SB0119 [0,1,0,0,0,0|1,0,0]=2 200 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00504SB1186 [0,1,0,0,0,0|1,0,0]=2 201 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00504SB1186 [0,1,0,0,0,0|1,0,0]=2 202 B15R1.139 CCCNC(=O)CCc1ccc(cc1)Br WXVL_AK00504SB1166 [0,1,0,0,0,0|1,0,2]=4 203 B15R1.139 CCCNC(=O)CCc1ccc(cc1)Br WXVL_AK00504SB1166 [0,1,0,0,0,0|1,0,2]=4 204 B15R1.139 CCCNC(=O)CCc1ccc(cc1)C WXVL_AK00504SB0421 [0,1,0,0,0,0|1,0,2]=4 205 B15R1.139 CCCNC(=O)CCc1ccc(cc1)C WXVL_AK00504SB0421 [0,1,0,0,0,0|1,0,2]=4 206 B15R1.139 CCCNC(=O)CCc1ccc(cc1)F WXVL_AK00504SB1123 [0,1,0,0,0,0|1,0,2]=4 207 B15R1.139 CCCNC(=O)CCc1ccc(cc1)F WXVL_AK00504SB1123 [0,1,0,0,0,0|1,0,2]=4 208 B15R1.139 CCCNC(=O)CCc1ccc(cc1)O WXVL_AK00504SB2324 [0,1,0,0,0,0|1,0,2]=4 209 B15R1.139 CCCNC(=O)CCc1ccc(cc1)O WXVL_AK00504SB2324 [0,1,0,0,0,0|1,0,2]=4 210 B15R1.139 CCCNC(=O)COc1ccc(cc1)C WXVL_AK00504SB0138 [0,1,0,0,0,0|2,0,1]=4 211 B15R1.139 CCCNC(=O)COc1ccc(cc1)C WXVL_AK00504SB0138 [0,1,0,0,0,0|2,0,1]=4 212 B15R1.139 CCCNC(=O)COc1ccc(cc1)F WXVL_AK00504SB0088 [0,1,0,0,0,0|2,0,1]=4 213 B15R1.139 CCCNC(=O)COc1ccc(cc1)F WXVL_AK00504SB0088 [0,1,0,0,0,0|2,0,1]=4 214 B15R1.139 CCCNC(=O)COc1ccc(cc1)O WXVL_AK00504SB3388 [0,1,0,0,0,0|2,0,1]=4 215 B15R1.139 CCCNC(=O)COc1ccc(cc1)O WXVL_AK00504SB3388 [0,1,0,0,0,0|2,0,1]=4 216 B15R1.139 CCCNC(=O)CSc1ccc(cc1)C WXVL_AK00504SB0830 [0,1,0,0,0,0|2,0,1]=4 217 B15R1.139 CCCNC(=O)CSc1ccc(cc1)C WXVL_AK00504SB0830 [0,1,0,0,0,0|2,0,1]=4 218 B15R1.139 CCCNC(=O)NCc1ccc(cc1)C WXVL_AK00504YV0067 [0,1,0,0,0,0|2,0,1]=4 219 B15R1.139 CCCNC(=O)NCc1ccc(cc1)C WXVL_AK00504YV0067 [0,1,0,0,0,0|2,0,1]=4 220 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCC#N WXVL_AK0683SB0060 [0,1,0,0,0,0|2,0,1]=4 221 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCC#N WXVL_AK0683SB0060 [0,1,0,0,0,0|2,0,1]=4 222 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF WXVL_AK00466SB0060 [0,1,0,0,0,0|2,0,0]=3 223 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF WXVL_AK00466SB0060 [0,1,0,0,0,0|2,0,0]=3 224 B15R1.139 N#CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0683SB0418 [0,1,0,0,0,0|2,0,1]=4 225 B15R1.139 N#CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0683SB0418 [0,1,0,0,0,0|2,0,1]=4 226 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0683SB1122 [0,1,0,0,0,0|2,0,1]=4 227 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0683SB1122 [0,1,0,0,0,0|2,0,1]=4 228 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0683SB0119 [0,1,0,0,0,0|2,0,1]=4 229 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0683SB0119 [0,1,0,0,0,0|2,0,1]=4 230 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0683SB1186 [0,1,0,0,0,0|2,0,1]=4 231 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0683SB1186 [0,1,0,0,0,0|2,0,1]=4 232 B15R1.139 O=C(/C=C/c1ccc(cc1)O)NCCF WXVL_AK00466SB0418 [0,1,0,0,0,0|2,0,0]=3 233 B15R1.139 O=C(/C=C/c1ccc(cc1)O)NCCF WXVL_AK00466SB0418 [0,1,0,0,0,0|2,0,0]=3 234 B15R1.139 O=C(C=Cc1ccc(cc1)Br)NCCF WXVL_AK00466SB1122 [0,1,0,0,0,0|2,0,0]=3 235 B15R1.139 O=C(C=Cc1ccc(cc1)Br)NCCF WXVL_AK00466SB1122 [0,1,0,0,0,0|2,0,0]=3 236 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF WXVL_AK00466SB0119 [0,1,0,0,0,0|2,0,0]=3 237 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF WXVL_AK00466SB0119 [0,1,0,0,0,0|2,0,0]=3 238 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF WXVL_AK00466SB1186 [0,1,0,0,0,0|2,0,0]=3 239 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF WXVL_AK00466SB1186 [0,1,0,0,0,0|2,0,0]=3 240 B15R1.551 C/C(=C\c1cccnc1)/C(=O)NCCF WXVL_AK00466SA1933 [0,1,0,0,0,0|3,0,0]=4 241 B15R1.551 C/C(=C\c1cccnc1)/C(=O)NCCF WXVL_AK00466SA1933 [0,1,0,0,0,0|3,0,0]=4 242 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCC WXVL_AK00504SB0413 [0,1,0,0,0,0|1,0,1]=3 243 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCC WXVL_AK00504SB0413 [0,1,0,0,0,0|1,0,1]=3 244 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCF WXVL_AK00466SB0413 [0,1,0,0,0,0|2,0,1]=4 245 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCF WXVL_AK00466SB0413 [0,1,0,0,0,0|2,0,1]=4 246 B15R1.551 CCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00504SA1933 [0,1,0,0,0,0|2,0,0]=3 247 B15R1.551 CCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00504SA1933 [0,1,0,0,0,0|2,0,0]=3 248 B15R1.551 CCCNC(=O)C(C)Cc1ccccc1 WXVL_AK00504SB3205 [0,1,0,0,0,0|1,0,2]=4 249 B15R1.551 CCCNC(=O)C(C)Cc1ccccc1 WXVL_AK00504SB3205 [0,1,0,0,0,0|1,0,2]=4 250 B15R1.551 CCCNC(=O)C(C)Oc1ccccc1 WXVL_AK00504SB0426 [0,1,0,0,0,0|2,0,1]=4 251 B15R1.551 CCCNC(=O)C(C)Oc1ccccc1 WXVL_AK00504SB0426 [0,1,0,0,0,0|2,0,1]=4 252 B15R1.551 CCCNC(=O)C(C)Sc1ccccc1 WXVL_AK00504SB9992 [0,1,0,0,0,0|2,0,1]=4 253 B15R1.551 CCCNC(=O)C(C)Sc1ccccc1 WXVL_AK00504SB9992 [0,1,0,0,0,0|2,0,1]=4 254 B15R1.551 CCCNC(=O)[C@@H](C)Oc1ccccc1 WXVL_AK00504SB5803 [0,1,0,0,0,0|2,0,1]=4 255 B15R1.551 CCCNC(=O)[C@@H](C)Oc1ccccc1 WXVL_AK00504SB5803 [0,1,0,0,0,0|2,0,1]=4 256 B15R1.741 C#C[C@@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00735SB0115 [0,1,0,0,0,0|1,0,2]=4 257 B15R1.741 C#C[C@@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00735SB0115 [0,1,0,0,0,0|1,0,2]=4 258 B15R1.741 C=CC(C)NC(=O)/C=C/c1ccccc1 WXVL_AK00769SB0115 [0,1,0,0,0,0|1,0,2]=4 259 B15R1.741 C=CC(C)NC(=O)/C=C/c1ccccc1 WXVL_AK00769SB0115 [0,1,0,0,0,0|1,0,2]=4 260 B15R1.741 CC(C#N)NC(=O)/C=C/c1ccccc1 WXVL_AK00810SB0115 [0,1,0,0,0,0|2,0,1]=4 261 B15R1.741 CC(C#N)NC(=O)/C=C/c1ccccc1 WXVL_AK00810SB0115 [0,1,0,0,0,0|2,0,1]=4 262 B15R1.741 CCC(C)CC(=O)NCc1ccccc1 WXVL_AK00502SB0353 [0,1,0,0,0,0|2,0,1]=4 263 B15R1.741 CCC(C)CC(=O)NCc1ccccc1 WXVL_AK00502SB0353 [0,1,0,0,0,0|2,0,1]=4 264 B15R1.741 CCC(O)CC(=O)NCc1ccccc1 WXVL_AK00502SB4092 [0,1,0,0,0,0|2,0,1]=4 265 B15R1.741 CCC(O)CC(=O)NCc1ccccc1 WXVL_AK00502SB4092 [0,1,0,0,0,0|2,0,1]=4 266 B15R1.741 CC[C@@H](C)CC(=O)NCc1ccccc1 WXVL_AK00502SB8650 [0,1,0,0,0,0|2,0,1]=4 267 B15R1.741 CC[C@@H](C)CC(=O)NCc1ccccc1 WXVL_AK00502SB8650 [0,1,0,0,0,0|2,0,1]=4 268 B15R1.741 CC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00678SB0115 [0,1,0,0,0,0|1,0,0]=2 269 B15R1.741 CC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00678SB0115 [0,1,0,0,0,0|1,0,0]=2 270 B15R1.741 CC[C@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00678SA0193 [0,1,0,0,0,0|2,0,0]=3 271 B15R1.741 CC[C@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00678SA0193 [0,1,0,0,0,0|2,0,0]=3 272 B15R1.741 CC[C@H](C)NC(=O)/C=C/c1cnccn1 WXVL_AK00678SA2885 [0,1,0,0,0,0|3,0,0]=4 273 B15R1.741 CC[C@H](C)NC(=O)/C=C/c1cnccn1 WXVL_AK00678SA2885 [0,1,0,0,0,0|3,0,0]=4 274 B15R1.741 CC[C@H](C)NC(=O)C#Cc1ccccc1 WXVL_AK00678SB0114 [0,1,0,0,0,0|1,0,2]=4 275 B15R1.741 CC[C@H](C)NC(=O)C#Cc1ccccc1 WXVL_AK00678SB0114 [0,1,0,0,0,0|1,0,2]=4 276 B15R1.741 CC[C@H](C)NC(=O)CCc1ccccc1 WXVL_AK00678SB0067 [0,1,0,0,0,0|1,0,2]=4 277 B15R1.741 CC[C@H](C)NC(=O)CCc1ccccc1 WXVL_AK00678SB0067 [0,1,0,0,0,0|1,0,2]=4 278 B15R1.741 CC[C@H](C)NC(=O)COc1ccccc1 WXVL_AK00678SB0086 [0,1,0,0,0,0|2,0,1]=4 279 B15R1.741 CC[C@H](C)NC(=O)COc1ccccc1 WXVL_AK00678SB0086 [0,1,0,0,0,0|2,0,1]=4 280 B15R1.741 CC[C@H](C)NC(=O)CSc1ccccc1 WXVL_AK00678SB0113 [0,1,0,0,0,0|2,0,1]=4 281 B15R1.741 CC[C@H](C)NC(=O)CSc1ccccc1 WXVL_AK00678SB0113 [0,1,0,0,0,0|2,0,1]=4 282 B15R1.741 C[C@@H](CF)NC(=O)/C=C/c1ccccc1 WXVL_AK00558SB0115 [0,1,0,0,0,0|2,0,0]=3 283 B15R1.741 C[C@@H](CF)NC(=O)/C=C/c1ccccc1 WXVL_AK00558SB0115 [0,1,0,0,0,0|2,0,0]=3 284 B15R1.741 C[C@@H](CF)NC(=O)/C=C/c1cccnc1 WXVL_AK00558SA0193 [0,1,0,0,0,0|3,0,0]=4 285 B15R1.741 C[C@@H](CF)NC(=O)/C=C/c1cccnc1 WXVL_AK00558SA0193 [0,1,0,0,0,0|3,0,0]=4 286 B15R1.741 C[C@@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK0109SB0115 [0,1,0,0,0,0|2,0,0]=3 287 B15R1.741 C[C@@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK0109SB0115 [0,1,0,0,0,0|2,0,0]=3 288 B15R1.741 C[C@@H](CO)NC(=O)/C=C/c1cccnc1 WXVL_AK0109SA0193 [0,1,0,0,0,0|3,0,0]=4 289 B15R1.741 C[C@@H](CO)NC(=O)/C=C/c1cccnc1 WXVL_AK0109SA0193 [0,1,0,0,0,0|3,0,0]=4 290 B15R1.826 CCCC(C)C(=O)NCc1ccccc1 WXVL_AK00502SB0352 [0,1,0,0,0,0|2,0,1]=4 291 B15R1.826 CCCC(C)C(=O)NCc1ccccc1 WXVL_AK00502SB0352 [0,1,0,0,0,0|2,0,1]=4 292 B15R1.826 CCC[C@H](O)C(=O)NCc1ccccc1 WXVL_AK00502SB3627 [0,1,0,0,0,0|2,0,1]=4 293 B15R1.826 CCC[C@H](O)C(=O)NCc1ccccc1 WXVL_AK00502SB3627 [0,1,0,0,0,0|2,0,1]=4 294 B15R1.826 CN(CC#N)C(=O)/C=C/c1ccccc1 WXVL_AN2942SB0115 [0,1,0,0,0,0|2,0,1]=4 295 B15R1.826 CN(CC#N)C(=O)/C=C/c1ccccc1 WXVL_AN2942SB0115 [0,1,0,0,0,0|2,0,1]=4 296 B15R1.826 CN(CCO)C(=O)/C=C/c1ccccc1 WXVL_AN2670SB0115 [0,1,0,0,0,0|2,0,0]=3 297 B15R1.826 CN(CCO)C(=O)/C=C/c1ccccc1 WXVL_AN2670SB0115 [0,1,0,0,0,0|2,0,0]=3 298 B15R1.826 CN(CCO)C(=O)/C=C/c1cccnc1 WXVL_AN2670SA0193 [0,1,0,0,0,0|3,0,0]=4 299 B15R1.826 CN(CCO)C(=O)/C=C/c1cccnc1 WXVL_AN2670SA0193 [0,1,0,0,0,0|3,0,0]=4 300 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1Br WXVL_AK00561SB3065 [0,1,0,0,0,0|1,0,2]=4 301 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1Br WXVL_AK00561SB3065 [0,1,0,0,0,0|1,0,2]=4 302 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br WXVL_AK00504SB3065 [0,1,0,0,0,0|1,0,0]=2 303 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br WXVL_AK00504SB3065 [0,1,0,0,0,0|1,0,0]=2 304 B15R1.1208 CCCNC(=O)CCc1ccccc1Br WXVL_AK00504SB1278 [0,1,0,0,0,0|1,0,2]=4 305 B15R1.1208 CCCNC(=O)CCc1ccccc1Br WXVL_AK00504SB1278 [0,1,0,0,0,0|1,0,2]=4 306 B15R1.1208 CCCNC(=O)CCc1ccccc1C WXVL_AK00504SB0422 [0,1,0,0,0,0|1,0,2]=4 307 B15R1.1208 CCCNC(=O)CCc1ccccc1C WXVL_AK00504SB0422 [0,1,0,0,0,0|1,0,2]=4 308 B15R1.1208 CCCNC(=O)CCc1ccccc1Cl WXVL_AK00504SB0140 [0,1,0,0,0,0|1,0,2]=4 309 B15R1.1208 CCCNC(=O)CCc1ccccc1Cl WXVL_AK00504SB0140 [0,1,0,0,0,0|1,0,2]=4 310 B15R1.1208 CCCNC(=O)CCc1ccccc1F WXVL_AK00504SB0008 [0,1,0,0,0,0|1,0,2]=4 311 B15R1.1208 CCCNC(=O)CCc1ccccc1F WXVL_AK00504SB0008 [0,1,0,0,0,0|1,0,2]=4 312 B15R1.1208 CCCNC(=O)COc1ccccc1C WXVL_AK00504SB0136 [0,1,0,0,0,0|2,0,1]=4 313 B15R1.1208 CCCNC(=O)COc1ccccc1C WXVL_AK00504SB0136 [0,1,0,0,0,0|2,0,1]=4 314 B15R1.1208 CCCNC(=O)COc1ccccc1F WXVL_AK00504SB0441 [0,1,0,0,0,0|2,0,1]=4 315 B15R1.1208 CCCNC(=O)COc1ccccc1F WXVL_AK00504SB0441 [0,1,0,0,0,0|2,0,1]=4 316 B15R1.1208 N#CCNC(=O)C=Cc1ccccc1Br WXVL_AK0683SB3065 [0,1,0,0,0,0|2,0,1]=4 317 B15R1.1208 N#CCNC(=O)C=Cc1ccccc1Br WXVL_AK0683SB3065 [0,1,0,0,0,0|2,0,1]=4 318 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF WXVL_AK00466SB3065 [0,1,0,0,0,0|2,0,0]=3 319 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF WXVL_AK00466SB3065 [0,1,0,0,0,0|2,0,0]=3 320 B15R1.5919 C=C(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK0761SB0115 [0,1,0,0,0,0|1,0,1]=3 321 B15R1.5919 C=C(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK0761SB0115 [0,1,0,0,0,0|1,0,1]=3 322 B15R1.5919 C=C(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK0761SA0193 [0,1,0,0,0,0|2,0,1]=4 323 B15R1.5919 C=C(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK0761SA0193 [0,1,0,0,0,0|2,0,1]=4 324 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 WXVL_AK00502SB0354 [0,1,0,0,0,0|2,0,1]=4 325 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 WXVL_AK00502SB0354 [0,1,0,0,0,0|2,0,1]=4 326 B15R1.5919 CC(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00544SB0115 [0,1,0,0,0,0|1,0,0]=2 327 B15R1.5919 CC(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00544SB0115 [0,1,0,0,0,0|1,0,0]=2 328 B15R1.5919 CC(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00544SA0193 [0,1,0,0,0,0|2,0,0]=3 329 B15R1.5919 CC(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00544SA0193 [0,1,0,0,0,0|2,0,0]=3 330 B15R1.5919 CC(C)CNC(=O)/C=C/c1cnccn1 WXVL_AK00544SA2885 [0,1,0,0,0,0|3,0,0]=4 331 B15R1.5919 CC(C)CNC(=O)/C=C/c1cnccn1 WXVL_AK00544SA2885 [0,1,0,0,0,0|3,0,0]=4 332 B15R1.5919 CC(C)CNC(=O)C#Cc1ccccc1 WXVL_AK00544SB0114 [0,1,0,0,0,0|1,0,2]=4 333 B15R1.5919 CC(C)CNC(=O)C#Cc1ccccc1 WXVL_AK00544SB0114 [0,1,0,0,0,0|1,0,2]=4 334 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 WXVL_AK00544SB0067 [0,1,0,0,0,0|1,0,2]=4 335 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 WXVL_AK00544SB0067 [0,1,0,0,0,0|1,0,2]=4 336 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 WXVL_AK00544SB0086 [0,1,0,0,0,0|2,0,1]=4 337 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 WXVL_AK00544SB0086 [0,1,0,0,0,0|2,0,1]=4 338 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 WXVL_AK00544SB0113 [0,1,0,0,0,0|2,0,1]=4 339 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 WXVL_AK00544SB0113 [0,1,0,0,0,0|2,0,1]=4 340 B15R1.5919 CC(O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0052SB0115 [0,1,0,0,0,0|1,0,0]=2 341 B15R1.5919 CC(O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0052SB0115 [0,1,0,0,0,0|1,0,0]=2 342 B15R1.5919 CC(O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0052SA0193 [0,1,0,0,0,0|2,0,0]=3 343 B15R1.5919 CC(O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0052SA0193 [0,1,0,0,0,0|2,0,0]=3 344 B15R1.5919 CC(O)CNC(=O)/C=C/c1cnccn1 WXVL_AK0052SA2885 [0,1,0,0,0,0|3,0,0]=4 345 B15R1.5919 CC(O)CNC(=O)/C=C/c1cnccn1 WXVL_AK0052SA2885 [0,1,0,0,0,0|3,0,0]=4 346 B15R1.5919 CC(O)CNC(=O)C#Cc1ccccc1 WXVL_AK0052SB0114 [0,1,0,0,0,0|1,0,2]=4 347 B15R1.5919 CC(O)CNC(=O)C#Cc1ccccc1 WXVL_AK0052SB0114 [0,1,0,0,0,0|1,0,2]=4 348 B15R1.5919 CC(O)CNC(=O)CCc1ccccc1 WXVL_AK0052SB0067 [0,1,0,0,0,0|1,0,2]=4 349 B15R1.5919 CC(O)CNC(=O)CCc1ccccc1 WXVL_AK0052SB0067 [0,1,0,0,0,0|1,0,2]=4 350 B15R1.5919 CC(O)CNC(=O)COc1ccccc1 WXVL_AK0052SB0086 [0,1,0,0,0,0|2,0,1]=4 351 B15R1.5919 CC(O)CNC(=O)COc1ccccc1 WXVL_AK0052SB0086 [0,1,0,0,0,0|2,0,1]=4 352 B15R1.5919 CC(O)CNC(=O)CSc1ccccc1 WXVL_AK0052SB0113 [0,1,0,0,0,0|2,0,1]=4 353 B15R1.5919 CC(O)CNC(=O)CSc1ccccc1 WXVL_AK0052SB0113 [0,1,0,0,0,0|2,0,1]=4 354 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0113SB0115 [0,1,0,0,0,0|1,0,0]=2 355 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0113SB0115 [0,1,0,0,0,0|1,0,0]=2 356 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0113SA0193 [0,1,0,0,0,0|2,0,0]=3 357 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0113SA0193 [0,1,0,0,0,0|2,0,0]=3 358 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1cnccn1 WXVL_AK0113SA2885 [0,1,0,0,0,0|3,0,0]=4 359 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1cnccn1 WXVL_AK0113SA2885 [0,1,0,0,0,0|3,0,0]=4 360 B15R1.5919 C[C@H](O)CNC(=O)C#Cc1ccccc1 WXVL_AK0113SB0114 [0,1,0,0,0,0|1,0,2]=4 361 B15R1.5919 C[C@H](O)CNC(=O)C#Cc1ccccc1 WXVL_AK0113SB0114 [0,1,0,0,0,0|1,0,2]=4 362 B15R1.5919 C[C@H](O)CNC(=O)CCc1ccccc1 WXVL_AK0113SB0067 [0,1,0,0,0,0|1,0,2]=4 363 B15R1.5919 C[C@H](O)CNC(=O)CCc1ccccc1 WXVL_AK0113SB0067 [0,1,0,0,0,0|1,0,2]=4 364 B15R1.5919 C[C@H](O)CNC(=O)COc1ccccc1 WXVL_AK0113SB0086 [0,1,0,0,0,0|2,0,1]=4 365 B15R1.5919 C[C@H](O)CNC(=O)COc1ccccc1 WXVL_AK0113SB0086 [0,1,0,0,0,0|2,0,1]=4 366 B15R1.5919 C[C@H](O)CNC(=O)CSc1ccccc1 WXVL_AK0113SB0113 [0,1,0,0,0,0|2,0,1]=4 367 B15R1.5919 C[C@H](O)CNC(=O)CSc1ccccc1 WXVL_AK0113SB0113 [0,1,0,0,0,0|2,0,1]=4 368 B15R1.5919 NC(=O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0147SB0115 [0,1,0,0,0,0|2,0,1]=4 369 B15R1.5919 NC(=O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0147SB0115 [0,1,0,0,0,0|2,0,1]=4 370 B15R1.5919 O=C(/C=C/c1ccccc1)NCC(F)F WXVL_AK0136SB0115 [0,1,0,0,0,0|2,0,0]=3 371 B15R1.5919 O=C(/C=C/c1ccccc1)NCC(F)F WXVL_AK0136SB0115 [0,1,0,0,0,0|2,0,0]=3 372 B15R1.5919 O=C(/C=C/c1cccnc1)NCC(F)F WXVL_AK0136SA0193 [0,1,0,0,0,0|3,0,0]=4 373 B15R1.5919 O=C(/C=C/c1cccnc1)NCC(F)F WXVL_AK0136SA0193 [0,1,0,0,0,0|3,0,0]=4 374 B15R1.5934 CCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00504HU0026 [0,1,0,0,0,0|2,0,0]=3 375 B15R1.5934 CCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00504HU0026 [0,1,0,0,0,0|2,0,0]=3 376 B15R1.5934 O=S(=O)(/C=C/c1ccccc1)NCCF WXVL_AK00466HU0026 [0,1,0,0,0,0|3,0,0]=4 377 B15R1.5934 O=S(=O)(/C=C/c1ccccc1)NCCF WXVL_AK00466HU0026 [0,1,0,0,0,0|3,0,0]=4 378 B15R2.352 CCCNc1ncc2ccccc2n1 WXVL_AK00504LP0064 [0,0,0,1,0,0|3,0,0]=4 379 B15R2.352 CCCNc1ncc2ccccc2n1 WXVL_AK00504LP0064 [0,0,0,1,0,0|3,0,0]=4 380 B15R2.505 CC1CC1C(=O)NCc2ccccc2 WXVL_AK00502SB0041 [0,0,0,1,0,0|2,0,1]=4 381 B15R2.505 CC1CC1C(=O)NCc2ccccc2 WXVL_AK00502SB0041 [0,0,0,1,0,0|2,0,1]=4 382 B15R2.24490 O=C(NCc1ccccc1)C2CCC2 WXVL_AK00502SB0042 [0,0,0,1,0,0|2,0,1]=4 383 B15R2.24490 O=C(NCc1ccccc1)C2CCC2 WXVL_AK00502SB0042 [0,0,0,1,0,0|2,0,1]=4 384 B15R2.24494 O=C(/C=C/c1ccccc1)NC2CC2 WXVL_AK0001SB0115 [0,0,0,1,0,0|1,0,0]=2 385 B15R2.24494 O=C(/C=C/c1ccccc1)NC2CC2 WXVL_AK0001SB0115 [0,0,0,1,0,0|1,0,0]=2 386 B15R2.24494 O=C(/C=C/c1cccnc1)NC2CC2 WXVL_AK0001SA0193 [0,0,0,1,0,0|2,0,0]=3 387 B15R2.24494 O=C(/C=C/c1cccnc1)NC2CC2 WXVL_AK0001SA0193 [0,0,0,1,0,0|2,0,0]=3 388 B15R2.24494 O=C(/C=C/c1cnccn1)NC2CC2 WXVL_AK0001SA2885 [0,0,0,1,0,0|3,0,0]=4 389 B15R2.24494 O=C(/C=C/c1cnccn1)NC2CC2 WXVL_AK0001SA2885 [0,0,0,1,0,0|3,0,0]=4 390 B15R2.24494 O=C(C#Cc1ccccc1)NC2CC2 WXVL_AK0001SB0114 [0,0,0,1,0,0|1,0,2]=4 391 B15R2.24494 O=C(C#Cc1ccccc1)NC2CC2 WXVL_AK0001SB0114 [0,0,0,1,0,0|1,0,2]=4 392 B15R2.24494 O=C(CC1CC1)NCc2ccccc2 WXVL_AK00502SB0155 [0,0,0,1,0,0|2,0,1]=4 393 B15R2.24494 O=C(CC1CC1)NCc2ccccc2 WXVL_AK00502SB0155 [0,0,0,1,0,0|2,0,1]=4 394 B15R2.24494 O=C(CCc1ccccc1)NC2CC2 WXVL_AK0001SB0067 [0,0,0,1,0,0|1,0,2]=4 395 B15R2.24494 O=C(CCc1ccccc1)NC2CC2 WXVL_AK0001SB0067 [0,0,0,1,0,0|1,0,2]=4 396 B15R2.24494 O=C(COc1ccccc1)NC2CC2 WXVL_AK0001SB0086 [0,0,0,1,0,0|2,0,1]=4 397 B15R2.24494 O=C(COc1ccccc1)NC2CC2 WXVL_AK0001SB0086 [0,0,0,1,0,0|2,0,1]=4 398 B15R2.24494 O=C(CSc1ccccc1)NC2CC2 WXVL_AK0001SB0113 [0,0,0,1,0,0|2,0,1]=4 399 B15R2.24494 O=C(CSc1ccccc1)NC2CC2 WXVL_AK0001SB0113 [0,0,0,1,0,0|2,0,1]=4 400 B13R1.44 CCCNC(=O)Cc1ccccc1 WXVL_AK00504SB0092 [0,0,0,0,1,0|1,0,1]=3 401 B13R1.44 CCCNC(=O)Cc1ccccc1 WXVL_AK00504SB0092 [0,0,0,0,1,0|1,0,1]=3 402 B13R1.44 CCCNC(=O)Cc1ccccn1 WXVL_AK00504SA0032 [0,0,0,0,1,0|2,0,1]=4 403 B13R1.44 CCCNC(=O)Cc1ccccn1 WXVL_AK00504SA0032 [0,0,0,0,1,0|2,0,1]=4 404 B13R1.44 CCCNC(=O)Cc1cccnc1 WXVL_AK00504SA0029 [0,0,0,0,1,0|2,0,1]=4 405 B13R1.44 CCCNC(=O)Cc1cccnc1 WXVL_AK00504SA0029 [0,0,0,0,1,0|2,0,1]=4 406 B13R1.44 CCCNC(=O)Cc1cccnc1 WXVL_AK00504SB00049 [0,0,0,0,1,0|2,0,1]=4 407 B13R1.44 CCCNC(=O)Cc1cccnc1 WXVL_AK00504SB00049 [0,0,0,0,1,0|2,0,1]=4 408 B13R1.44 CCCNC(=O)Cc1ccncc1 WXVL_AK00504SA00106 [0,0,0,0,1,0|2,0,1]=4 409 B13R1.44 CCCNC(=O)Cc1ccncc1 WXVL_AK00504SA00106 [0,0,0,0,1,0|2,0,1]=4 410 B13R1.44 CCCNC(=O)Nc1ccccn1 WXVL_AK00504YV0189 [0,0,0,0,1,0|3,0,0]=4 411 B13R1.44 CCCNC(=O)Nc1ccccn1 WXVL_AK00504YV0189 [0,0,0,0,1,0|3,0,0]=4 412 B13R1.44 CCOCC(=O)Nc1ccccc1 WXVL_AG00183SB0091 [0,0,0,0,1,0|3,0,0]=4 413 B13R1.44 CCOCC(=O)Nc1ccccc1 WXVL_AG00183SB0091 [0,0,0,0,1,0|3,0,0]=4 414 B13R1.44 CCSCC(=O)Nc1ccccc1 WXVL_AG00183SB0002 [0,0,0,0,1,0|3,0,0]=4 415 B13R1.44 CCSCC(=O)Nc1ccccc1 WXVL_AG00183SB0002 [0,0,0,0,1,0|3,0,0]=4 416 B13R1.44 COCCC(=O)Nc1ccccc1 WXVL_AG00183SB0156 [0,0,0,0,1,0|3,0,0]=4 417 B13R1.44 COCCC(=O)Nc1ccccc1 WXVL_AG00183SB0156 [0,0,0,0,1,0|3,0,0]=4 418 B13R1.44 CSCCC(=O)Nc1ccccc1 WXVL_AG00183SB0361 [0,0,0,0,1,0|3,0,0]=4 419 B13R1.44 CSCCC(=O)Nc1ccccc1 WXVL_AG00183SB0361 [0,0,0,0,1,0|3,0,0]=4 420 B13R1.44 O=C(Cc1ccccc1)NCCF WXVL_AK00466SB0092 [0,0,0,0,1,0|2,0,1]=4 421 B13R1.44 O=C(Cc1ccccc1)NCCF WXVL_AK00466SB0092 [0,0,0,0,1,0|2,0,1]=4 422 B13R1.44 O=C(NCCCl)Nc1ccccc1 WXVL_AG00183YV0092 [0,0,0,0,1,0|3,0,0]=4 423 B13R1.44 O=C(NCCCl)Nc1ccccc1 WXVL_AG00183YV0092 [0,0,0,0,1,0|3,0,0]=4 424 B13R1.153 CCCNC(=O)/C=C/c1c[nH]cn1 WXVL_AK00504SA0730 [0,0,0,0,1,0|3,0,0]=4 425 B13R1.153 CCCNC(=O)/C=C/c1c[nH]cn1 WXVL_AK00504SA0730 [0,0,0,0,1,0|3,0,0]=4 426 B13R1.153 CCCNC(=O)/C=C/c1ccco1 WXVL_AK00504SA0180 [0,0,0,0,1,0|2,0,0]=3 427 B13R1.153 CCCNC(=O)/C=C/c1ccco1 WXVL_AK00504SA0180 [0,0,0,0,1,0|2,0,0]=3 428 B13R1.153 CCCNC(=O)/C=C/c1cccs1 WXVL_AK00504SA0001 [0,0,0,0,1,0|2,0,0]=3 429 B13R1.153 CCCNC(=O)/C=C/c1cccs1 WXVL_AK00504SA0001 [0,0,0,0,1,0|2,0,0]=3 430 B13R1.153 CCCNC(=O)/C=C/c1ccoc1 WXVL_AK00504SA0047 [0,0,0,0,1,0|2,0,0]=3 431 B13R1.153 CCCNC(=O)/C=C/c1ccoc1 WXVL_AK00504SA0047 [0,0,0,0,1,0|2,0,0]=3 432 B13R1.153 CCCNC(=O)/C=C/c1ccsc1 WXVL_AK00504SA0251 [0,0,0,0,1,0|2,0,0]=3 433 B13R1.153 CCCNC(=O)/C=C/c1ccsc1 WXVL_AK00504SA0251 [0,0,0,0,1,0|2,0,0]=3 434 B13R1.153 O=C(/C=C/c1ccco1)NCCF WXVL_AK00466SA0180 [0,0,0,0,1,0|3,0,0]=4 435 B13R1.153 O=C(/C=C/c1ccco1)NCCF WXVL_AK00466SA0180 [0,0,0,0,1,0|3,0,0]=4 436 B13R1.153 O=C(/C=C/c1cccs1)NCCF WXVL_AK00466SA0001 [0,0,0,0,1,0|3,0,0]=4 437 B13R1.153 O=C(/C=C/c1cccs1)NCCF WXVL_AK00466SA0001 [0,0,0,0,1,0|3,0,0]=4 438 B13R1.153 O=C(/C=C/c1ccoc1)NCCF WXVL_AK00466SA0047 [0,0,0,0,1,0|3,0,0]=4 439 B13R1.153 O=C(/C=C/c1ccoc1)NCCF WXVL_AK00466SA0047 [0,0,0,0,1,0|3,0,0]=4 440 B13R1.153 O=C(/C=C/c1ccsc1)NCCF WXVL_AK00466SA0251 [0,0,0,0,1,0|3,0,0]=4 441 B13R1.153 O=C(/C=C/c1ccsc1)NCCF WXVL_AK00466SA0251 [0,0,0,0,1,0|3,0,0]=4 442 B15R1.157 CCCNC(=O)CCCc1ccccc1 WXVL_AK00504SB0121 [0,0,0,0,0,1|1,0,2]=4 443 B15R1.157 CCCNC(=O)CCCc1ccccc1 WXVL_AK00504SB0121 [0,0,0,0,0,1|1,0,2]=4 444 B15R1.157 CCCNC(=O)CCOc1ccccc1 WXVL_AK00504SB0066 [0,0,0,0,0,1|1,0,2]=4 445 B15R1.157 CCCNC(=O)CCOc1ccccc1 WXVL_AK00504SB0066 [0,0,0,0,0,1|1,0,2]=4 446 B15R1.157 CCCNC(=O)COCc1ccccc1 WXVL_AK00504SB0185 [0,0,0,0,0,1|1,0,2]=4 447 B15R1.157 CCCNC(=O)COCc1ccccc1 WXVL_AK00504SB0185 [0,0,0,0,0,1|1,0,2]=4 448 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [2,0,0,0,0,0|1,0,1]=4 449 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [2,0,0,0,0,0|1,0,1]=4 450 B12R1.27 CNC(=O)/C=C/c1ccccc1 WXVL_AK00442SB0115 [2,0,0,0,0,0|1,0,0]=3 451 B12R1.27 CNC(=O)/C=C/c1ccccc1 WXVL_AK00442SB0115 [2,0,0,0,0,0|1,0,0]=3 452 B12R1.27 CNC(=O)/C=C/c1cccnc1 WXVL_AK00442SA0193 [2,0,0,0,0,0|2,0,0]=4 453 B12R1.27 CNC(=O)/C=C/c1cccnc1 WXVL_AK00442SA0193 [2,0,0,0,0,0|2,0,0]=4 454 B14R1.29 CCNC(=O)NC(=O)c1ccccc1 WXVL_AK00476YV0027 [1,1,0,0,0,0|2,0,0]=4 455 B14R1.29 CCNC(=O)NC(=O)c1ccccc1 WXVL_AK00476YV0027 [1,1,0,0,0,0|2,0,0]=4 456 B14R1.32 CCCC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0073 [1,1,0,0,0,0|1,0,1]=4 457 B14R1.32 CCCC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0073 [1,1,0,0,0,0|1,0,1]=4 458 B14R1.32 CCCC(=O)NCc1cccc(c1)C WXVL_AK0045SB0073 [1,1,0,0,0,0|1,0,1]=4 459 B14R1.32 CCCC(=O)NCc1cccc(c1)C WXVL_AK0045SB0073 [1,1,0,0,0,0|1,0,1]=4 460 B14R1.32 CCCC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0073 [1,1,0,0,0,0|1,0,1]=4 461 B14R1.32 CCCC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0073 [1,1,0,0,0,0|1,0,1]=4 462 B14R1.32 CCCC(=O)NCc1cccc(c1)F WXVL_AK0041SB0073 [1,1,0,0,0,0|1,0,1]=4 463 B14R1.32 CCCC(=O)NCc1cccc(c1)F WXVL_AK0041SB0073 [1,1,0,0,0,0|1,0,1]=4 464 B14R1.32 CCCC(=O)NCc1cccc(c1)I WXVL_AK1572SB0073 [1,1,0,0,0,0|1,0,1]=4 465 B14R1.32 CCCC(=O)NCc1cccc(c1)I WXVL_AK1572SB0073 [1,1,0,0,0,0|1,0,1]=4 466 B14R1.32 CCCC(=O)NCc1cccc(c1)O WXVL_AK0974SB0073 [1,1,0,0,0,0|1,0,1]=4 467 B14R1.32 CCCC(=O)NCc1cccc(c1)O WXVL_AK0974SB0073 [1,1,0,0,0,0|1,0,1]=4 468 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00476SB1601 [1,1,0,0,0,0|1,0,0]=3 469 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00476SB1601 [1,1,0,0,0,0|1,0,0]=3 470 B14R1.32 CCNC(=O)C=Cc1cccc(c1)O WXVL_AK00476SB0417 [1,1,0,0,0,0|1,0,0]=3 471 B14R1.32 CCNC(=O)C=Cc1cccc(c1)O WXVL_AK00476SB0417 [1,1,0,0,0,0|1,0,0]=3 472 B14R1.60 C=C(Cc1ccccc1)C(=O)NCC WXVL_AK00476SB0413 [1,1,0,0,0,0|1,0,1]=4 473 B14R1.60 C=C(Cc1ccccc1)C(=O)NCC WXVL_AK00476SB0413 [1,1,0,0,0,0|1,0,1]=4 474 B14R1.60 CCCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0073 [1,1,0,0,0,0|1,0,1]=4 475 B14R1.60 CCCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0073 [1,1,0,0,0,0|1,0,1]=4 476 B14R1.60 CCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00476SA1933 [1,1,0,0,0,0|2,0,0]=4 477 B14R1.60 CCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00476SA1933 [1,1,0,0,0,0|2,0,0]=4 478 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB4144 [1,1,0,0,0,0|1,0,0]=3 479 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB4144 [1,1,0,0,0,0|1,0,0]=3 480 B14R1.60 CCOC(=O)C(=O)Nc1ccccn1 WXVL_AF00298SB4144 [1,1,0,0,0,0|2,0,0]=4 481 B14R1.60 CCOC(=O)C(=O)Nc1ccccn1 WXVL_AF00298SB4144 [1,1,0,0,0,0|2,0,0]=4 482 B14R1.502 CCCC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0073 [1,1,0,0,0,0|1,0,1]=4 483 B14R1.502 CCCC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0073 [1,1,0,0,0,0|1,0,1]=4 484 B14R1.502 CCCC(=O)NCc1ccc(cc1)C WXVL_AK0048SB0073 [1,1,0,0,0,0|1,0,1]=4 485 B14R1.502 CCCC(=O)NCc1ccc(cc1)C WXVL_AK0048SB0073 [1,1,0,0,0,0|1,0,1]=4 486 B14R1.502 CCCC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0073 [1,1,0,0,0,0|1,0,1]=4 487 B14R1.502 CCCC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0073 [1,1,0,0,0,0|1,0,1]=4 488 B14R1.502 CCCC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0073 [1,1,0,0,0,0|1,0,1]=4 489 B14R1.502 CCCC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0073 [1,1,0,0,0,0|1,0,1]=4 490 B14R1.502 CCCC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0073 [1,1,0,0,0,0|1,0,1]=4 491 B14R1.502 CCCC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0073 [1,1,0,0,0,0|1,0,1]=4 492 B14R1.502 CCCC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0073 [1,1,0,0,0,0|1,0,1]=4 493 B14R1.502 CCCC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0073 [1,1,0,0,0,0|1,0,1]=4 494 B14R1.502 CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00476SB0418 [1,1,0,0,0,0|1,0,0]=3 495 B14R1.502 CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00476SB0418 [1,1,0,0,0,0|1,0,0]=3 496 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00476SB1122 [1,1,0,0,0,0|1,0,0]=3 497 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00476SB1122 [1,1,0,0,0,0|1,0,0]=3 498 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00476SB0060 [1,1,0,0,0,0|1,0,0]=3 499 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00476SB0060 [1,1,0,0,0,0|1,0,0]=3 500 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00476SB0119 [1,1,0,0,0,0|1,0,0]=3 501 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00476SB0119 [1,1,0,0,0,0|1,0,0]=3 502 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00476SB1186 [1,1,0,0,0,0|1,0,0]=3 503 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00476SB1186 [1,1,0,0,0,0|1,0,0]=3 504 B14R1.598 CCCC(=O)NCc1ccccc1Br WXVL_AK1632SB0073 [1,1,0,0,0,0|1,0,1]=4 505 B14R1.598 CCCC(=O)NCc1ccccc1Br WXVL_AK1632SB0073 [1,1,0,0,0,0|1,0,1]=4 506 B14R1.598 CCCC(=O)NCc1ccccc1C WXVL_AK0040SB0073 [1,1,0,0,0,0|1,0,1]=4 507 B14R1.598 CCCC(=O)NCc1ccccc1C WXVL_AK0040SB0073 [1,1,0,0,0,0|1,0,1]=4 508 B14R1.598 CCCC(=O)NCc1ccccc1Cl WXVL_AK0038SB0073 [1,1,0,0,0,0|1,0,1]=4 509 B14R1.598 CCCC(=O)NCc1ccccc1Cl WXVL_AK0038SB0073 [1,1,0,0,0,0|1,0,1]=4 510 B14R1.598 CCCC(=O)NCc1ccccc1F WXVL_AK0037SB0073 [1,1,0,0,0,0|1,0,1]=4 511 B14R1.598 CCCC(=O)NCc1ccccc1F WXVL_AK0037SB0073 [1,1,0,0,0,0|1,0,1]=4 512 B14R1.598 CCCC(=O)NCc1ccccc1I WXVL_AK3923SB0073 [1,1,0,0,0,0|1,0,1]=4 513 B14R1.598 CCCC(=O)NCc1ccccc1I WXVL_AK3923SB0073 [1,1,0,0,0,0|1,0,1]=4 514 B14R1.598 CCCC(=O)NCc1ccccc1O WXVL_AK0963SB0073 [1,1,0,0,0,0|1,0,1]=4 515 B14R1.598 CCCC(=O)NCc1ccccc1O WXVL_AK0963SB0073 [1,1,0,0,0,0|1,0,1]=4 516 B14R1.598 CCNC(=O)C=Cc1ccccc1Br WXVL_AK00476SB3065 [1,1,0,0,0,0|1,0,0]=3 517 B14R1.598 CCNC(=O)C=Cc1ccccc1Br WXVL_AK00476SB3065 [1,1,0,0,0,0|1,0,0]=3 518 B14R1.756 CCC(C)C(=O)NCc1ccccc1 WXVL_AK00502SB0054 [1,1,0,0,0,0|1,0,1]=4 519 B14R1.756 CCC(C)C(=O)NCc1ccccc1 WXVL_AK00502SB0054 [1,1,0,0,0,0|1,0,1]=4 520 B14R1.756 CC[C@@H](C)C(=O)NCc1ccccc1 WXVL_AK00502SB00054 [1,1,0,0,0,0|1,0,1]=4 521 B14R1.756 CC[C@@H](C)C(=O)NCc1ccccc1 WXVL_AK00502SB00054 [1,1,0,0,0,0|1,0,1]=4 522 B14R1.756 CC[C@H](O)C(=O)NCc1ccccc1 WXVL_AK00502SB3573 [1,1,0,0,0,0|1,0,1]=4 523 B14R1.756 CC[C@H](O)C(=O)NCc1ccccc1 WXVL_AK00502SB3573 [1,1,0,0,0,0|1,0,1]=4 524 B14R1.818 CC(C)CC(=O)NCc1ccccc1 WXVL_AK00502SB0063 [1,1,0,0,0,0|1,0,1]=4 525 B14R1.818 CC(C)CC(=O)NCc1ccccc1 WXVL_AK00502SB0063 [1,1,0,0,0,0|1,0,1]=4 526 B14R1.818 CC(C)NC(=O)/C=C/c1ccccc1 WXVL_AK0030SB0115 [1,1,0,0,0,0|1,0,0]=3 527 B14R1.818 CC(C)NC(=O)/C=C/c1ccccc1 WXVL_AK0030SB0115 [1,1,0,0,0,0|1,0,0]=3 528 B14R1.818 CC(C)NC(=O)/C=C/c1cccnc1 WXVL_AK0030SA0193 [1,1,0,0,0,0|2,0,0]=4 529 B14R1.818 CC(C)NC(=O)/C=C/c1cccnc1 WXVL_AK0030SA0193 [1,1,0,0,0,0|2,0,0]=4 530 B14R1.818 CC(O)CC(=O)NCc1ccccc1 WXVL_AK00502SB3643 [1,1,0,0,0,0|1,0,1]=4 531 B14R1.818 CC(O)CC(=O)NCc1ccccc1 WXVL_AK00502SB3643 [1,1,0,0,0,0|1,0,1]=4 532 B14R1.6829 CCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00476HU0026 [1,1,0,0,0,0|2,0,0]=4 533 B14R1.6829 CCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00476HU0026 [1,1,0,0,0,0|2,0,0]=4 534 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Br WXVL_AK00504SB0926 [0,1,0,0,1,0|1,0,1]=4 535 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Br WXVL_AK00504SB0926 [0,1,0,0,1,0|1,0,1]=4 536 B14R1.33 CCCNC(=O)Cc1ccc(cc1)C WXVL_AK00504SB0112 [0,1,0,0,1,0|1,0,1]=4 537 B14R1.33 CCCNC(=O)Cc1ccc(cc1)C WXVL_AK00504SB0112 [0,1,0,0,1,0|1,0,1]=4 538 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Cl WXVL_AK00504SB0107 [0,1,0,0,1,0|1,0,1]=4 539 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Cl WXVL_AK00504SB0107 [0,1,0,0,1,0|1,0,1]=4 540 B14R1.33 CCCNC(=O)Cc1ccc(cc1)F WXVL_AK00504SB0106 [0,1,0,0,1,0|1,0,1]=4 541 B14R1.33 CCCNC(=O)Cc1ccc(cc1)F WXVL_AK00504SB0106 [0,1,0,0,1,0|1,0,1]=4 542 B14R1.33 CCCNC(=O)Cc1ccc(cc1)O WXVL_AK00504SB0110 [0,1,0,0,1,0|1,0,1]=4 543 B14R1.33 CCCNC(=O)Cc1ccc(cc1)O WXVL_AK00504SB0110 [0,1,0,0,1,0|1,0,1]=4 544 B14R1.33 CCCNC(=O)Nc1ccc(cc1)C WXVL_AK00504YV0026 [0,1,0,0,1,0|2,0,0]=4 545 B14R1.33 CCCNC(=O)Nc1ccc(cc1)C WXVL_AK00504YV0026 [0,1,0,0,1,0|2,0,0]=4 546 B14R1.33 CCCNC(=O)Nc1ccc(cc1)Cl WXVL_AK00504YV0023 [0,1,0,0,1,0|2,0,0]=4 547 B14R1.33 CCCNC(=O)Nc1ccc(cc1)Cl WXVL_AK00504YV0023 [0,1,0,0,1,0|2,0,0]=4 548 B14R1.34 CCCNC(=O)Cc1cccc(c1)Br WXVL_AK00504SB0099 [0,1,0,0,1,0|1,0,1]=4 549 B14R1.34 CCCNC(=O)Cc1cccc(c1)Br WXVL_AK00504SB0099 [0,1,0,0,1,0|1,0,1]=4 550 B14R1.34 CCCNC(=O)Cc1cccc(c1)C WXVL_AK00504SB0105 [0,1,0,0,1,0|1,0,1]=4 551 B14R1.34 CCCNC(=O)Cc1cccc(c1)C WXVL_AK00504SB0105 [0,1,0,0,1,0|1,0,1]=4 552 B14R1.34 CCCNC(=O)Cc1cccc(c1)Cl WXVL_AK00504SB0101 [0,1,0,0,1,0|1,0,1]=4 553 B14R1.34 CCCNC(=O)Cc1cccc(c1)Cl WXVL_AK00504SB0101 [0,1,0,0,1,0|1,0,1]=4 554 B14R1.34 CCCNC(=O)Cc1cccc(c1)F WXVL_AK00504SB0100 [0,1,0,0,1,0|1,0,1]=4 555 B14R1.34 CCCNC(=O)Cc1cccc(c1)F WXVL_AK00504SB0100 [0,1,0,0,1,0|1,0,1]=4 556 B14R1.34 CCCNC(=O)Cc1cccc(c1)O WXVL_AK00504SB0104 [0,1,0,0,1,0|1,0,1]=4 557 B14R1.34 CCCNC(=O)Cc1cccc(c1)O WXVL_AK00504SB0104 [0,1,0,0,1,0|1,0,1]=4 558 B14R1.34 CCCNC(=O)Nc1cccc(c1)Br WXVL_AK00504YV0098 [0,1,0,0,1,0|2,0,0]=4 559 B14R1.34 CCCNC(=O)Nc1cccc(c1)Br WXVL_AK00504YV0098 [0,1,0,0,1,0|2,0,0]=4 560 B14R1.34 CCCNC(=O)Nc1cccc(c1)C WXVL_AK00504YV0020 [0,1,0,0,1,0|2,0,0]=4 561 B14R1.34 CCCNC(=O)Nc1cccc(c1)C WXVL_AK00504YV0020 [0,1,0,0,1,0|2,0,0]=4 562 B14R1.34 CCCNC(=O)Nc1cccc(c1)Cl WXVL_AK00504YV0016 [0,1,0,0,1,0|2,0,0]=4 563 B14R1.34 CCCNC(=O)Nc1cccc(c1)Cl WXVL_AK00504YV0016 [0,1,0,0,1,0|2,0,0]=4 564 B14R1.166 CCCNC(=O)C(=O)c1ccccc1 WXVL_AK00504SB0050 [0,1,0,0,1,0|1,0,0]=3 565 B14R1.166 CCCNC(=O)C(=O)c1ccccc1 WXVL_AK00504SB0050 [0,1,0,0,1,0|1,0,0]=3 566 B14R1.166 CCCNC(=O)C(C)c1ccccc1 WXVL_AK00504SB2326 [0,1,0,0,1,0|1,0,1]=4 567 B14R1.166 CCCNC(=O)C(C)c1ccccc1 WXVL_AK00504SB2326 [0,1,0,0,1,0|1,0,1]=4 568 B14R1.166 CCCNC(=O)C(O)c1ccccc1 WXVL_AK00504SB0168 [0,1,0,0,1,0|1,0,1]=4 569 B14R1.166 CCCNC(=O)C(O)c1ccccc1 WXVL_AK00504SB0168 [0,1,0,0,1,0|1,0,1]=4 570 B14R1.166 O=C(NCCF)C(=O)c1ccccc1 WXVL_AK00466SB0050 [0,1,0,0,1,0|2,0,0]=4 571 B14R1.166 O=C(NCCF)C(=O)c1ccccc1 WXVL_AK00466SB0050 [0,1,0,0,1,0|2,0,0]=4 572 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 WXVL_AG00183SB0354 [0,1,0,0,1,0|2,0,0]=4 573 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 WXVL_AG00183SB0354 [0,1,0,0,1,0|2,0,0]=4 574 B14R1.423 CC(C)CNC(=O)Cc1ccccc1 WXVL_AK00544SB0092 [0,1,0,0,1,0|1,0,1]=4 575 B14R1.423 CC(C)CNC(=O)Cc1ccccc1 WXVL_AK00544SB0092 [0,1,0,0,1,0|1,0,1]=4 576 B14R1.423 CC(O)CNC(=O)Cc1ccccc1 WXVL_AK0052SB0092 [0,1,0,0,1,0|1,0,1]=4 577 B14R1.423 CC(O)CNC(=O)Cc1ccccc1 WXVL_AK0052SB0092 [0,1,0,0,1,0|1,0,1]=4 578 B14R1.423 C[C@H](O)CNC(=O)Cc1ccccc1 WXVL_AK0113SB0092 [0,1,0,0,1,0|1,0,1]=4 579 B14R1.423 C[C@H](O)CNC(=O)Cc1ccccc1 WXVL_AK0113SB0092 [0,1,0,0,1,0|1,0,1]=4 580 B14R1.743 CCC(C)CC(=O)Nc1ccccc1 WXVL_AG00183SB0353 [0,1,0,0,1,0|2,0,0]=4 581 B14R1.743 CCC(C)CC(=O)Nc1ccccc1 WXVL_AG00183SB0353 [0,1,0,0,1,0|2,0,0]=4 582 B14R1.743 CCC(O)CC(=O)Nc1ccccc1 WXVL_AG00183SB4092 [0,1,0,0,1,0|2,0,0]=4 583 B14R1.743 CCC(O)CC(=O)Nc1ccccc1 WXVL_AG00183SB4092 [0,1,0,0,1,0|2,0,0]=4 584 B14R1.743 CC[C@@H](C)CC(=O)Nc1ccccc1 WXVL_AG00183SB8650 [0,1,0,0,1,0|2,0,0]=4 585 B14R1.743 CC[C@@H](C)CC(=O)Nc1ccccc1 WXVL_AG00183SB8650 [0,1,0,0,1,0|2,0,0]=4 586 B14R1.743 CC[C@H](C)NC(=O)Cc1ccccc1 WXVL_AK00678SB0092 [0,1,0,0,1,0|1,0,1]=4 587 B14R1.743 CC[C@H](C)NC(=O)Cc1ccccc1 WXVL_AK00678SB0092 [0,1,0,0,1,0|1,0,1]=4 588 B14R1.946 CCCNC(=O)Cc1ccccc1Br WXVL_AK00504SB0093 [0,1,0,0,1,0|1,0,1]=4 589 B14R1.946 CCCNC(=O)Cc1ccccc1Br WXVL_AK00504SB0093 [0,1,0,0,1,0|1,0,1]=4 590 B14R1.946 CCCNC(=O)Cc1ccccc1C WXVL_AK00504SB0098 [0,1,0,0,1,0|1,0,1]=4 591 B14R1.946 CCCNC(=O)Cc1ccccc1C WXVL_AK00504SB0098 [0,1,0,0,1,0|1,0,1]=4 592 B14R1.946 CCCNC(=O)Cc1ccccc1Cl WXVL_AK00504SB0095 [0,1,0,0,1,0|1,0,1]=4 593 B14R1.946 CCCNC(=O)Cc1ccccc1Cl WXVL_AK00504SB0095 [0,1,0,0,1,0|1,0,1]=4 594 B14R1.946 CCCNC(=O)Cc1ccccc1F WXVL_AK00504SB0094 [0,1,0,0,1,0|1,0,1]=4 595 B14R1.946 CCCNC(=O)Cc1ccccc1F WXVL_AK00504SB0094 [0,1,0,0,1,0|1,0,1]=4 596 B14R1.946 CCCNC(=O)Cc1ccccc1I WXVL_AK00504SB1145 [0,1,0,0,1,0|1,0,1]=4 597 B14R1.946 CCCNC(=O)Cc1ccccc1I WXVL_AK00504SB1145 [0,1,0,0,1,0|1,0,1]=4 598 B14R1.946 CCCNC(=O)Cc1ccccc1O WXVL_AK00504SB0400 [0,1,0,0,1,0|1,0,1]=4 599 B14R1.946 CCCNC(=O)Cc1ccccc1O WXVL_AK00504SB0400 [0,1,0,0,1,0|1,0,1]=4 600 B14R1.946 CCCNC(=O)Nc1ccccc1Br WXVL_AK00504YV0003 [0,1,0,0,1,0|2,0,0]=4 601 B14R1.946 CCCNC(=O)Nc1ccccc1Br WXVL_AK00504YV0003 [0,1,0,0,1,0|2,0,0]=4 602 B14R1.946 CCCNC(=O)Nc1ccccc1C WXVL_AK00504YV0013 [0,1,0,0,1,0|2,0,0]=4 603 B14R1.946 CCCNC(=O)Nc1ccccc1C WXVL_AK00504YV0013 [0,1,0,0,1,0|2,0,0]=4 604 B14R1.946 CCCNC(=O)Nc1ccccc1Cl WXVL_AK00504YV0007 [0,1,0,0,1,0|2,0,0]=4 605 B14R1.946 CCCNC(=O)Nc1ccccc1Cl WXVL_AK00504YV0007 [0,1,0,0,1,0|2,0,0]=4 606 B14R1.86 CCCCNC(=O)/C=C/c1ccco1 WXVL_AK00588SA0180 [0,1,0,0,1,0|2,0,0]=4 607 B14R1.86 CCCCNC(=O)/C=C/c1ccco1 WXVL_AK00588SA0180 [0,1,0,0,1,0|2,0,0]=4 608 B14R1.86 CCCCNC(=O)/C=C/c1cccs1 WXVL_AK00588SA0001 [0,1,0,0,1,0|2,0,0]=4 609 B14R1.86 CCCCNC(=O)/C=C/c1cccs1 WXVL_AK00588SA0001 [0,1,0,0,1,0|2,0,0]=4 610 B14R1.86 CCCCNC(=O)/C=C/c1ccoc1 WXVL_AK00588SA0047 [0,1,0,0,1,0|2,0,0]=4 611 B14R1.86 CCCCNC(=O)/C=C/c1ccoc1 WXVL_AK00588SA0047 [0,1,0,0,1,0|2,0,0]=4 612 B14R1.86 CCCCNC(=O)/C=C/c1ccsc1 WXVL_AK00588SA0251 [0,1,0,0,1,0|2,0,0]=4 613 B14R1.86 CCCCNC(=O)/C=C/c1ccsc1 WXVL_AK00588SA0251 [0,1,0,0,1,0|2,0,0]=4 614 B14R1.86 CSCCNC(=O)/C=C/c1ccco1 WXVL_AK00440SA0180 [0,1,0,0,1,0|2,0,0]=4 615 B14R1.86 CSCCNC(=O)/C=C/c1ccco1 WXVL_AK00440SA0180 [0,1,0,0,1,0|2,0,0]=4 616 B14R1.86 CSCCNC(=O)/C=C/c1cccs1 WXVL_AK00440SA0001 [0,1,0,0,1,0|2,0,0]=4 617 B14R1.86 CSCCNC(=O)/C=C/c1cccs1 WXVL_AK00440SA0001 [0,1,0,0,1,0|2,0,0]=4 618 B14R1.86 CSCCNC(=O)/C=C/c1ccoc1 WXVL_AK00440SA0047 [0,1,0,0,1,0|2,0,0]=4 619 B14R1.86 CSCCNC(=O)/C=C/c1ccoc1 WXVL_AK00440SA0047 [0,1,0,0,1,0|2,0,0]=4 620 B14R1.86 CSCCNC(=O)/C=C/c1ccsc1 WXVL_AK00440SA0251 [0,1,0,0,1,0|2,0,0]=4 621 B14R1.86 CSCCNC(=O)/C=C/c1ccsc1 WXVL_AK00440SA0251 [0,1,0,0,1,0|2,0,0]=4 622 B14R1.86 O=C(/C=C/c1ccco1)NCCCO WXVL_AK0073SA0180 [0,1,0,0,1,0|2,0,0]=4 623 B14R1.86 O=C(/C=C/c1ccco1)NCCCO WXVL_AK0073SA0180 [0,1,0,0,1,0|2,0,0]=4 624 B14R1.86 O=C(/C=C/c1cccs1)NCCCO WXVL_AK0073SA0001 [0,1,0,0,1,0|2,0,0]=4 625 B14R1.86 O=C(/C=C/c1cccs1)NCCCO WXVL_AK0073SA0001 [0,1,0,0,1,0|2,0,0]=4 626 B14R1.86 O=C(/C=C/c1ccoc1)NCCCO WXVL_AK0073SA0047 [0,1,0,0,1,0|2,0,0]=4 627 B14R1.86 O=C(/C=C/c1ccoc1)NCCCO WXVL_AK0073SA0047 [0,1,0,0,1,0|2,0,0]=4 628 B14R1.86 O=C(/C=C/c1ccsc1)NCCCO WXVL_AK0073SA0251 [0,1,0,0,1,0|2,0,0]=4 629 B14R1.86 O=C(/C=C/c1ccsc1)NCCCO WXVL_AK0073SA0251 [0,1,0,0,1,0|2,0,0]=4 630 B14R1.155 CCCNC(=O)/C=C/c1ccc(s1)C WXVL_AK00504SA1334 [0,1,0,0,1,0|2,0,0]=4 631 B14R1.155 CCCNC(=O)/C=C/c1ccc(s1)C WXVL_AK00504SA1334 [0,1,0,0,1,0|2,0,0]=4 632 B14R1.588 CC[C@H](C)NC(=O)/C=C/c1ccco1 WXVL_AK00678SA0180 [0,1,0,0,1,0|2,0,0]=4 633 B14R1.588 CC[C@H](C)NC(=O)/C=C/c1ccco1 WXVL_AK00678SA0180 [0,1,0,0,1,0|2,0,0]=4 634 B14R1.588 CC[C@H](C)NC(=O)/C=C/c1cccs1 WXVL_AK00678SA0001 [0,1,0,0,1,0|2,0,0]=4 635 B14R1.588 CC[C@H](C)NC(=O)/C=C/c1cccs1 WXVL_AK00678SA0001 [0,1,0,0,1,0|2,0,0]=4 636 B14R1.588 CC[C@H](C)NC(=O)/C=C/c1ccoc1 WXVL_AK00678SA0047 [0,1,0,0,1,0|2,0,0]=4 637 B14R1.588 CC[C@H](C)NC(=O)/C=C/c1ccoc1 WXVL_AK00678SA0047 [0,1,0,0,1,0|2,0,0]=4 638 B14R1.588 CC[C@H](C)NC(=O)/C=C/c1ccsc1 WXVL_AK00678SA0251 [0,1,0,0,1,0|2,0,0]=4 639 B14R1.588 CC[C@H](C)NC(=O)/C=C/c1ccsc1 WXVL_AK00678SA0251 [0,1,0,0,1,0|2,0,0]=4 640 B14R1.4526 CC(C)CNC(=O)/C=C/c1ccco1 WXVL_AK00544SA0180 [0,1,0,0,1,0|2,0,0]=4 641 B14R1.4526 CC(C)CNC(=O)/C=C/c1ccco1 WXVL_AK00544SA0180 [0,1,0,0,1,0|2,0,0]=4 642 B14R1.4526 CC(C)CNC(=O)/C=C/c1cccs1 WXVL_AK00544SA0001 [0,1,0,0,1,0|2,0,0]=4 643 B14R1.4526 CC(C)CNC(=O)/C=C/c1cccs1 WXVL_AK00544SA0001 [0,1,0,0,1,0|2,0,0]=4 644 B14R1.4526 CC(C)CNC(=O)/C=C/c1ccoc1 WXVL_AK00544SA0047 [0,1,0,0,1,0|2,0,0]=4 645 B14R1.4526 CC(C)CNC(=O)/C=C/c1ccoc1 WXVL_AK00544SA0047 [0,1,0,0,1,0|2,0,0]=4 646 B14R1.4526 CC(C)CNC(=O)/C=C/c1ccsc1 WXVL_AK00544SA0251 [0,1,0,0,1,0|2,0,0]=4 647 B14R1.4526 CC(C)CNC(=O)/C=C/c1ccsc1 WXVL_AK00544SA0251 [0,1,0,0,1,0|2,0,0]=4 648 B14R1.4526 CC(O)CNC(=O)/C=C/c1ccco1 WXVL_AK0052SA0180 [0,1,0,0,1,0|2,0,0]=4 649 B14R1.4526 CC(O)CNC(=O)/C=C/c1ccco1 WXVL_AK0052SA0180 [0,1,0,0,1,0|2,0,0]=4 650 B14R1.4526 CC(O)CNC(=O)/C=C/c1cccs1 WXVL_AK0052SA0001 [0,1,0,0,1,0|2,0,0]=4 651 B14R1.4526 CC(O)CNC(=O)/C=C/c1cccs1 WXVL_AK0052SA0001 [0,1,0,0,1,0|2,0,0]=4 652 B14R1.4526 CC(O)CNC(=O)/C=C/c1ccoc1 WXVL_AK0052SA0047 [0,1,0,0,1,0|2,0,0]=4 653 B14R1.4526 CC(O)CNC(=O)/C=C/c1ccoc1 WXVL_AK0052SA0047 [0,1,0,0,1,0|2,0,0]=4 654 B14R1.4526 CC(O)CNC(=O)/C=C/c1ccsc1 WXVL_AK0052SA0251 [0,1,0,0,1,0|2,0,0]=4 655 B14R1.4526 CC(O)CNC(=O)/C=C/c1ccsc1 WXVL_AK0052SA0251 [0,1,0,0,1,0|2,0,0]=4 656 B14R1.4526 C[C@H](O)CNC(=O)/C=C/c1ccco1 WXVL_AK0113SA0180 [0,1,0,0,1,0|2,0,0]=4 657 B14R1.4526 C[C@H](O)CNC(=O)/C=C/c1ccco1 WXVL_AK0113SA0180 [0,1,0,0,1,0|2,0,0]=4 658 B14R1.4526 C[C@H](O)CNC(=O)/C=C/c1cccs1 WXVL_AK0113SA0001 [0,1,0,0,1,0|2,0,0]=4 659 B14R1.4526 C[C@H](O)CNC(=O)/C=C/c1cccs1 WXVL_AK0113SA0001 [0,1,0,0,1,0|2,0,0]=4 660 B14R1.4526 C[C@H](O)CNC(=O)/C=C/c1ccoc1 WXVL_AK0113SA0047 [0,1,0,0,1,0|2,0,0]=4 661 B14R1.4526 C[C@H](O)CNC(=O)/C=C/c1ccoc1 WXVL_AK0113SA0047 [0,1,0,0,1,0|2,0,0]=4 662 B14R1.4526 C[C@H](O)CNC(=O)/C=C/c1ccsc1 WXVL_AK0113SA0251 [0,1,0,0,1,0|2,0,0]=4 663 B14R1.4526 C[C@H](O)CNC(=O)/C=C/c1ccsc1 WXVL_AK0113SA0251 [0,1,0,0,1,0|2,0,0]=4 664 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 WXVL_AK00504SB0466 [0,1,0,0,0,1|1,0,1]=4 665 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 WXVL_AK00504SB0466 [0,1,0,0,0,1|1,0,1]=4 666 B16R1.35 CCCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00588YV0027 [0,2,0,0,0,0|2,0,0]=4 667 B16R1.35 CCCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00588YV0027 [0,2,0,0,0,0|2,0,0]=4 668 B16R1.35 CSCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00440YV0027 [0,2,0,0,0,0|2,0,0]=4 669 B16R1.35 CSCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00440YV0027 [0,2,0,0,0,0|2,0,0]=4 670 B16R1.35 O=C(NCCCO)NC(=O)c1ccccc1 WXVL_AK0073YV0027 [0,2,0,0,0,0|2,0,0]=4 671 B16R1.35 O=C(NCCCO)NC(=O)c1ccccc1 WXVL_AK0073YV0027 [0,2,0,0,0,0|2,0,0]=4 672 B16R1.51 C#CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK3109SB0418 [0,2,0,0,0,0|1,0,1]=4 673 B16R1.51 C#CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK3109SB0418 [0,2,0,0,0,0|1,0,1]=4 674 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK3109SB1122 [0,2,0,0,0,0|1,0,1]=4 675 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK3109SB1122 [0,2,0,0,0,0|1,0,1]=4 676 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK3109SB0060 [0,2,0,0,0,0|1,0,1]=4 677 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK3109SB0060 [0,2,0,0,0,0|1,0,1]=4 678 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK3109SB0119 [0,2,0,0,0,0|1,0,1]=4 679 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK3109SB0119 [0,2,0,0,0,0|1,0,1]=4 680 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK3109SB1186 [0,2,0,0,0,0|1,0,1]=4 681 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK3109SB1186 [0,2,0,0,0,0|1,0,1]=4 682 B16R1.51 C=CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00138SB0418 [0,2,0,0,0,0|1,0,1]=4 683 B16R1.51 C=CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00138SB0418 [0,2,0,0,0,0|1,0,1]=4 684 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00138SB1122 [0,2,0,0,0,0|1,0,1]=4 685 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00138SB1122 [0,2,0,0,0,0|1,0,1]=4 686 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00138SB0060 [0,2,0,0,0,0|1,0,1]=4 687 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00138SB0060 [0,2,0,0,0,0|1,0,1]=4 688 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00138SB0119 [0,2,0,0,0,0|1,0,1]=4 689 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00138SB0119 [0,2,0,0,0,0|1,0,1]=4 690 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00138SB1186 [0,2,0,0,0,0|1,0,1]=4 691 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00138SB1186 [0,2,0,0,0,0|1,0,1]=4 692 B16R1.51 CCCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00588SB0418 [0,2,0,0,0,0|1,0,0]=3 693 B16R1.51 CCCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00588SB0418 [0,2,0,0,0,0|1,0,0]=3 694 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00588SB1122 [0,2,0,0,0,0|1,0,0]=3 695 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00588SB1122 [0,2,0,0,0,0|1,0,0]=3 696 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00588SB0060 [0,2,0,0,0,0|1,0,0]=3 697 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00588SB0060 [0,2,0,0,0,0|1,0,0]=3 698 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00588SB0119 [0,2,0,0,0,0|1,0,0]=3 699 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00588SB0119 [0,2,0,0,0,0|1,0,0]=3 700 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00588SB1186 [0,2,0,0,0,0|1,0,0]=3 701 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00588SB1186 [0,2,0,0,0,0|1,0,0]=3 702 B16R1.51 CSCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00440SB0418 [0,2,0,0,0,0|1,0,0]=3 703 B16R1.51 CSCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00440SB0418 [0,2,0,0,0,0|1,0,0]=3 704 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00440SB1122 [0,2,0,0,0,0|1,0,0]=3 705 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00440SB1122 [0,2,0,0,0,0|1,0,0]=3 706 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00440SB0060 [0,2,0,0,0,0|1,0,0]=3 707 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00440SB0060 [0,2,0,0,0,0|1,0,0]=3 708 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00440SB0119 [0,2,0,0,0,0|1,0,0]=3 709 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00440SB0119 [0,2,0,0,0,0|1,0,0]=3 710 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00440SB1186 [0,2,0,0,0,0|1,0,0]=3 711 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00440SB1186 [0,2,0,0,0,0|1,0,0]=3 712 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCC#N WXVL_AK0087SB0060 [0,2,0,0,0,0|1,0,1]=4 713 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCC#N WXVL_AK0087SB0060 [0,2,0,0,0,0|1,0,1]=4 714 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCCO WXVL_AK0073SB0060 [0,2,0,0,0,0|1,0,0]=3 715 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCCO WXVL_AK0073SB0060 [0,2,0,0,0,0|1,0,0]=3 716 B16R1.51 N#CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0087SB0418 [0,2,0,0,0,0|1,0,1]=4 717 B16R1.51 N#CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0087SB0418 [0,2,0,0,0,0|1,0,1]=4 718 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0087SB1122 [0,2,0,0,0,0|1,0,1]=4 719 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0087SB1122 [0,2,0,0,0,0|1,0,1]=4 720 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0087SB0119 [0,2,0,0,0,0|1,0,1]=4 721 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0087SB0119 [0,2,0,0,0,0|1,0,1]=4 722 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0087SB1186 [0,2,0,0,0,0|1,0,1]=4 723 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0087SB1186 [0,2,0,0,0,0|1,0,1]=4 724 B16R1.51 O=C(/C=C/c1ccc(cc1)O)NCCCO WXVL_AK0073SB0418 [0,2,0,0,0,0|1,0,0]=3 725 B16R1.51 O=C(/C=C/c1ccc(cc1)O)NCCCO WXVL_AK0073SB0418 [0,2,0,0,0,0|1,0,0]=3 726 B16R1.51 O=C(C=Cc1ccc(cc1)Br)NCCCO WXVL_AK0073SB1122 [0,2,0,0,0,0|1,0,0]=3 727 B16R1.51 O=C(C=Cc1ccc(cc1)Br)NCCCO WXVL_AK0073SB1122 [0,2,0,0,0,0|1,0,0]=3 728 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NCCCO WXVL_AK0073SB0119 [0,2,0,0,0,0|1,0,0]=3 729 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NCCCO WXVL_AK0073SB0119 [0,2,0,0,0,0|1,0,0]=3 730 B16R1.51 O=C(C=Cc1ccc(cc1)F)NCCCO WXVL_AK0073SB1186 [0,2,0,0,0,0|1,0,0]=3 731 B16R1.51 O=C(C=Cc1ccc(cc1)F)NCCCO WXVL_AK0073SB1186 [0,2,0,0,0,0|1,0,0]=3 732 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK3109SB1601 [0,2,0,0,0,0|1,0,1]=4 733 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK3109SB1601 [0,2,0,0,0,0|1,0,1]=4 734 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK3109SB0417 [0,2,0,0,0,0|1,0,1]=4 735 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK3109SB0417 [0,2,0,0,0,0|1,0,1]=4 736 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00138SB1601 [0,2,0,0,0,0|1,0,1]=4 737 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00138SB1601 [0,2,0,0,0,0|1,0,1]=4 738 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00138SB0417 [0,2,0,0,0,0|1,0,1]=4 739 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00138SB0417 [0,2,0,0,0,0|1,0,1]=4 740 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00588SB1601 [0,2,0,0,0,0|1,0,0]=3 741 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00588SB1601 [0,2,0,0,0,0|1,0,0]=3 742 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00588SB0417 [0,2,0,0,0,0|1,0,0]=3 743 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00588SB0417 [0,2,0,0,0,0|1,0,0]=3 744 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00440SB1601 [0,2,0,0,0,0|1,0,0]=3 745 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00440SB1601 [0,2,0,0,0,0|1,0,0]=3 746 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00440SB0417 [0,2,0,0,0,0|1,0,0]=3 747 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00440SB0417 [0,2,0,0,0,0|1,0,0]=3 748 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0087SB1601 [0,2,0,0,0,0|1,0,1]=4 749 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0087SB1601 [0,2,0,0,0,0|1,0,1]=4 750 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK0087SB0417 [0,2,0,0,0,0|1,0,1]=4 751 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK0087SB0417 [0,2,0,0,0,0|1,0,1]=4 752 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NCCCO WXVL_AK0073SB1601 [0,2,0,0,0,0|1,0,0]=3 753 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NCCCO WXVL_AK0073SB1601 [0,2,0,0,0,0|1,0,0]=3 754 B16R1.52 O=C(C=Cc1cccc(c1)O)NCCCO WXVL_AK0073SB0417 [0,2,0,0,0,0|1,0,0]=3 755 B16R1.52 O=C(C=Cc1cccc(c1)O)NCCCO WXVL_AK0073SB0417 [0,2,0,0,0,0|1,0,0]=3 756 B16R1.608 CC(C)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0068SB0115 [0,2,0,0,0,0|1,0,0]=3 757 B16R1.608 CC(C)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0068SB0115 [0,2,0,0,0,0|1,0,0]=3 758 B16R1.608 CC(C)CCNC(=O)/C=C/c1cccnc1 WXVL_AK0068SA0193 [0,2,0,0,0,0|2,0,0]=4 759 B16R1.608 CC(C)CCNC(=O)/C=C/c1cccnc1 WXVL_AK0068SA0193 [0,2,0,0,0,0|2,0,0]=4 760 B16R1.608 CN(C)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0058SB0115 [0,2,0,0,0,0|1,0,0]=3 761 B16R1.608 CN(C)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0058SB0115 [0,2,0,0,0,0|1,0,0]=3 762 B16R1.608 CN(C)CCNC(=O)/C=C/c1cccnc1 WXVL_AK0058SA0193 [0,2,0,0,0,0|2,0,0]=4 763 B16R1.608 CN(C)CCNC(=O)/C=C/c1cccnc1 WXVL_AK0058SA0193 [0,2,0,0,0,0|2,0,0]=4 764 B16R1.608 NC(=O)CCNC(=O)/C=C/c1ccccc1 WXVL_AK00443SB0115 [0,2,0,0,0,0|1,0,1]=4 765 B16R1.608 NC(=O)CCNC(=O)/C=C/c1ccccc1 WXVL_AK00443SB0115 [0,2,0,0,0,0|1,0,1]=4 766 B16R1.688 C#CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00218SB0115 [0,2,0,0,0,0|1,0,0]=3 767 B16R1.688 C#CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00218SB0115 [0,2,0,0,0,0|1,0,0]=3 768 B16R1.688 C#CCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00218SA0193 [0,2,0,0,0,0|2,0,0]=4 769 B16R1.688 C#CCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00218SA0193 [0,2,0,0,0,0|2,0,0]=4 770 B16R1.688 CCCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0076SB0115 [0,2,0,0,0,0|1,0,0]=3 771 B16R1.688 CCCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0076SB0115 [0,2,0,0,0,0|1,0,0]=3 772 B16R1.688 CCCCCNC(=O)/C=C/c1cccnc1 WXVL_AK0076SA0193 [0,2,0,0,0,0|2,0,0]=4 773 B16R1.688 CCCCCNC(=O)/C=C/c1cccnc1 WXVL_AK0076SA0193 [0,2,0,0,0,0|2,0,0]=4 774 B16R1.688 CCSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00494SB0115 [0,2,0,0,0,0|1,0,0]=3 775 B16R1.688 CCSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00494SB0115 [0,2,0,0,0,0|1,0,0]=3 776 B16R1.688 CCSCCNC(=O)/C=C/c1cccnc1 WXVL_AK00494SA0193 [0,2,0,0,0,0|2,0,0]=4 777 B16R1.688 CCSCCNC(=O)/C=C/c1cccnc1 WXVL_AK00494SA0193 [0,2,0,0,0,0|2,0,0]=4 778 B16R1.688 COCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00637SB0115 [0,2,0,0,0,0|1,0,0]=3 779 B16R1.688 COCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00637SB0115 [0,2,0,0,0,0|1,0,0]=3 780 B16R1.688 COCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00637SA0193 [0,2,0,0,0,0|2,0,0]=4 781 B16R1.688 COCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00637SA0193 [0,2,0,0,0,0|2,0,0]=4 782 B16R1.688 COCCOCC(=O)NCc1ccccc1 WXVL_AK00502SB0159 [0,2,0,0,0,0|1,0,1]=4 783 B16R1.688 COCCOCC(=O)NCc1ccccc1 WXVL_AK00502SB0159 [0,2,0,0,0,0|1,0,1]=4 784 B16R1.688 CSCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0965SB0115 [0,2,0,0,0,0|1,0,0]=3 785 B16R1.688 CSCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0965SB0115 [0,2,0,0,0,0|1,0,0]=3 786 B16R1.688 CSCCCNC(=O)/C=C/c1cccnc1 WXVL_AK0965SA0193 [0,2,0,0,0,0|2,0,0]=4 787 B16R1.688 CSCCCNC(=O)/C=C/c1cccnc1 WXVL_AK0965SA0193 [0,2,0,0,0,0|2,0,0]=4 788 B16R1.688 O=C(/C=C/c1ccccc1)NCCCCO WXVL_AK0075SB0115 [0,2,0,0,0,0|1,0,0]=3 789 B16R1.688 O=C(/C=C/c1ccccc1)NCCCCO WXVL_AK0075SB0115 [0,2,0,0,0,0|1,0,0]=3 790 B16R1.688 O=C(/C=C/c1cccnc1)NCCCCO WXVL_AK0075SA0193 [0,2,0,0,0,0|2,0,0]=4 791 B16R1.688 O=C(/C=C/c1cccnc1)NCCCCO WXVL_AK0075SA0193 [0,2,0,0,0,0|2,0,0]=4 792 B16R1.1216 C/C(=C\c1cccnc1)/C(=O)NCCCO WXVL_AK0073SA1933 [0,2,0,0,0,0|2,0,0]=4 793 B16R1.1216 C/C(=C\c1cccnc1)/C(=O)NCCCO WXVL_AK0073SA1933 [0,2,0,0,0,0|2,0,0]=4 794 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCC WXVL_AK00588SB0413 [0,2,0,0,0,0|1,0,1]=4 795 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCC WXVL_AK00588SB0413 [0,2,0,0,0,0|1,0,1]=4 796 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCO WXVL_AK0073SB0413 [0,2,0,0,0,0|1,0,1]=4 797 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCO WXVL_AK0073SB0413 [0,2,0,0,0,0|1,0,1]=4 798 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCSC WXVL_AK00440SB0413 [0,2,0,0,0,0|1,0,1]=4 799 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCSC WXVL_AK00440SB0413 [0,2,0,0,0,0|1,0,1]=4 800 B16R1.1216 CCCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00588SA1933 [0,2,0,0,0,0|2,0,0]=4 801 B16R1.1216 CCCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00588SA1933 [0,2,0,0,0,0|2,0,0]=4 802 B16R1.1216 CSCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00440SA1933 [0,2,0,0,0,0|2,0,0]=4 803 B16R1.1216 CSCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00440SA1933 [0,2,0,0,0,0|2,0,0]=4 804 B16R1.1343 CNC(=O)CNC(=O)/C=C/c1ccccc1 WXVL_AK1222SB0115 [0,2,0,0,0,0|1,0,1]=4 805 B16R1.1343 CNC(=O)CNC(=O)/C=C/c1ccccc1 WXVL_AK1222SB0115 [0,2,0,0,0,0|1,0,1]=4 806 B16R1.1343 CO[C@H](C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00704SB0115 [0,2,0,0,0,0|1,0,0]=3 807 B16R1.1343 CO[C@H](C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00704SB0115 [0,2,0,0,0,0|1,0,0]=3 808 B16R1.1343 CO[C@H](C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00704SA0193 [0,2,0,0,0,0|2,0,0]=4 809 B16R1.1343 CO[C@H](C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00704SA0193 [0,2,0,0,0,0|2,0,0]=4 810 B16R1.1343 O=C(/C=C/c1ccccc1)NC[C@@H](F)CO WXVL_AK00590SB0115 [0,2,0,0,0,0|1,0,0]=3 811 B16R1.1343 O=C(/C=C/c1ccccc1)NC[C@@H](F)CO WXVL_AK00590SB0115 [0,2,0,0,0,0|1,0,0]=3 812 B16R1.1343 O=C(/C=C/c1ccccc1)NC[C@H](O)CO WXVL_AK00483SB0115 [0,2,0,0,0,0|1,0,0]=3 813 B16R1.1343 O=C(/C=C/c1ccccc1)NC[C@H](O)CO WXVL_AK00483SB0115 [0,2,0,0,0,0|1,0,0]=3 814 B16R1.1343 O=C(/C=C/c1cccnc1)NC[C@@H](F)CO WXVL_AK00590SA0193 [0,2,0,0,0,0|2,0,0]=4 815 B16R1.1343 O=C(/C=C/c1cccnc1)NC[C@@H](F)CO WXVL_AK00590SA0193 [0,2,0,0,0,0|2,0,0]=4 816 B16R1.1343 O=C(/C=C/c1cccnc1)NC[C@H](O)CO WXVL_AK00483SA0193 [0,2,0,0,0,0|2,0,0]=4 817 B16R1.1343 O=C(/C=C/c1cccnc1)NC[C@H](O)CO WXVL_AK00483SA0193 [0,2,0,0,0,0|2,0,0]=4 818 B16R1.1570 CC(CCO)NC(=O)/C=C/c1ccccc1 WXVL_AK1288SB0115 [0,2,0,0,0,0|1,0,0]=3 819 B16R1.1570 CC(CCO)NC(=O)/C=C/c1ccccc1 WXVL_AK1288SB0115 [0,2,0,0,0,0|1,0,0]=3 820 B16R1.1570 CC(CCO)NC(=O)/C=C/c1cccnc1 WXVL_AK1288SA0193 [0,2,0,0,0,0|2,0,0]=4 821 B16R1.1570 CC(CCO)NC(=O)/C=C/c1cccnc1 WXVL_AK1288SA0193 [0,2,0,0,0,0|2,0,0]=4 822 B16R1.1570 CCC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00682SB0115 [0,2,0,0,0,0|1,0,0]=3 823 B16R1.1570 CCC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00682SB0115 [0,2,0,0,0,0|1,0,0]=3 824 B16R1.1570 CCC[C@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00682SA0193 [0,2,0,0,0,0|2,0,0]=4 825 B16R1.1570 CCC[C@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00682SA0193 [0,2,0,0,0,0|2,0,0]=4 826 B16R1.1570 COC[C@@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00613SB0115 [0,2,0,0,0,0|1,0,0]=3 827 B16R1.1570 COC[C@@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00613SB0115 [0,2,0,0,0,0|1,0,0]=3 828 B16R1.1570 COC[C@@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00613SA0193 [0,2,0,0,0,0|2,0,0]=4 829 B16R1.1570 COC[C@@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00613SA0193 [0,2,0,0,0,0|2,0,0]=4 830 B16R1.1570 COC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK0137SB0115 [0,2,0,0,0,0|1,0,0]=3 831 B16R1.1570 COC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK0137SB0115 [0,2,0,0,0,0|1,0,0]=3 832 B16R1.1570 COC[C@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK0137SA0193 [0,2,0,0,0,0|2,0,0]=4 833 B16R1.1570 COC[C@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK0137SA0193 [0,2,0,0,0,0|2,0,0]=4 834 B16R1.1570 C[C@@H](CC#N)NC(=O)/C=C/c1ccccc1 WXVL_AK00595SB0115 [0,2,0,0,0,0|1,0,1]=4 835 B16R1.1570 C[C@@H](CC#N)NC(=O)/C=C/c1ccccc1 WXVL_AK00595SB0115 [0,2,0,0,0,0|1,0,1]=4 836 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1Br WXVL_AK3109SB3065 [0,2,0,0,0,0|1,0,1]=4 837 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1Br WXVL_AK3109SB3065 [0,2,0,0,0,0|1,0,1]=4 838 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Br WXVL_AK00138SB3065 [0,2,0,0,0,0|1,0,1]=4 839 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Br WXVL_AK00138SB3065 [0,2,0,0,0,0|1,0,1]=4 840 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br WXVL_AK00588SB3065 [0,2,0,0,0,0|1,0,0]=3 841 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br WXVL_AK00588SB3065 [0,2,0,0,0,0|1,0,0]=3 842 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Br WXVL_AK00440SB3065 [0,2,0,0,0,0|1,0,0]=3 843 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Br WXVL_AK00440SB3065 [0,2,0,0,0,0|1,0,0]=3 844 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1Br WXVL_AK0087SB3065 [0,2,0,0,0,0|1,0,1]=4 845 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1Br WXVL_AK0087SB3065 [0,2,0,0,0,0|1,0,1]=4 846 B16R1.1696 O=C(C=Cc1ccccc1Br)NCCCO WXVL_AK0073SB3065 [0,2,0,0,0,0|1,0,0]=3 847 B16R1.1696 O=C(C=Cc1ccccc1Br)NCCCO WXVL_AK0073SB3065 [0,2,0,0,0,0|1,0,0]=3 848 B16R1.20527 CCCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00588HU0026 [0,2,0,0,0,0|2,0,0]=4 849 B16R1.20527 CCCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00588HU0026 [0,2,0,0,0,0|2,0,0]=4 850 B16R1.20527 CSCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00440HU0026 [0,2,0,0,0,0|2,0,0]=4 851 B16R1.20527 CSCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00440HU0026 [0,2,0,0,0,0|2,0,0]=4 852 B16R1.20527 O=S(=O)(/C=C/c1ccccc1)NCCCO WXVL_AK0073HU0026 [0,2,0,0,0,0|2,0,0]=4 853 B16R1.20527 O=S(=O)(/C=C/c1ccccc1)NCCCO WXVL_AK0073HU0026 [0,2,0,0,0,0|2,0,0]=4 854 B16R1.847 CC[C@H](C)NC(=O)NC(=O)c1ccccc1 WXVL_AK00678YV0027 [0,2,0,0,0,0|2,0,0]=4 855 B16R1.847 CC[C@H](C)NC(=O)NC(=O)c1ccccc1 WXVL_AK00678YV0027 [0,2,0,0,0,0|2,0,0]=4 856 B16R1.7611 CC(C)CNC(=O)NC(=O)c1ccccc1 WXVL_AK00544YV0027 [0,2,0,0,0,0|2,0,0]=4 857 B16R1.7611 CC(C)CNC(=O)NC(=O)c1ccccc1 WXVL_AK00544YV0027 [0,2,0,0,0,0|2,0,0]=4 858 B16R1.7611 CC(O)CNC(=O)NC(=O)c1ccccc1 WXVL_AK0052YV0027 [0,2,0,0,0,0|2,0,0]=4 859 B16R1.7611 CC(O)CNC(=O)NC(=O)c1ccccc1 WXVL_AK0052YV0027 [0,2,0,0,0,0|2,0,0]=4 860 B16R1.7611 C[C@H](O)CNC(=O)NC(=O)c1ccccc1 WXVL_AK0113YV0027 [0,2,0,0,0,0|2,0,0]=4 861 B16R1.7611 C[C@H](O)CNC(=O)NC(=O)c1ccccc1 WXVL_AK0113YV0027 [0,2,0,0,0,0|2,0,0]=4 862 B16R1.851 CC[C@H](C)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK00678SB1601 [0,2,0,0,0,0|1,0,0]=3 863 B16R1.851 CC[C@H](C)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK00678SB1601 [0,2,0,0,0,0|1,0,0]=3 864 B16R1.851 CC[C@H](C)NC(=O)C=Cc1cccc(c1)O WXVL_AK00678SB0417 [0,2,0,0,0,0|1,0,0]=3 865 B16R1.851 CC[C@H](C)NC(=O)C=Cc1cccc(c1)O WXVL_AK00678SB0417 [0,2,0,0,0,0|1,0,0]=3 866 B16R1.851 C[C@@H](CF)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK00558SB1601 [0,2,0,0,0,0|2,0,0]=4 867 B16R1.851 C[C@@H](CF)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK00558SB1601 [0,2,0,0,0,0|2,0,0]=4 868 B16R1.851 C[C@@H](CF)NC(=O)C=Cc1cccc(c1)O WXVL_AK00558SB0417 [0,2,0,0,0,0|2,0,0]=4 869 B16R1.851 C[C@@H](CF)NC(=O)C=Cc1cccc(c1)O WXVL_AK00558SB0417 [0,2,0,0,0,0|2,0,0]=4 870 B16R1.851 C[C@@H](CO)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK0109SB1601 [0,2,0,0,0,0|2,0,0]=4 871 B16R1.851 C[C@@H](CO)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK0109SB1601 [0,2,0,0,0,0|2,0,0]=4 872 B16R1.851 C[C@@H](CO)NC(=O)C=Cc1cccc(c1)O WXVL_AK0109SB0417 [0,2,0,0,0,0|2,0,0]=4 873 B16R1.851 C[C@@H](CO)NC(=O)C=Cc1cccc(c1)O WXVL_AK0109SB0417 [0,2,0,0,0,0|2,0,0]=4 874 B16R1.980 CN(CCO)C(=O)C=Cc1cccc(c1)Cl WXVL_AN2670SB1601 [0,2,0,0,0,0|2,0,0]=4 875 B16R1.980 CN(CCO)C(=O)C=Cc1cccc(c1)Cl WXVL_AN2670SB1601 [0,2,0,0,0,0|2,0,0]=4 876 B16R1.980 CN(CCO)C(=O)C=Cc1cccc(c1)O WXVL_AN2670SB0417 [0,2,0,0,0,0|2,0,0]=4 877 B16R1.980 CN(CCO)C(=O)C=Cc1cccc(c1)O WXVL_AN2670SB0417 [0,2,0,0,0,0|2,0,0]=4 878 B16R1.7629 CCCNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK00504SB1124 [0,2,0,0,0,0|1,0,0]=3 879 B16R1.7629 CCCNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK00504SB1124 [0,2,0,0,0,0|1,0,0]=3 880 B16R1.7629 O=C(C=Cc1cc(cc(c1)F)F)NCCF WXVL_AK00466SB1124 [0,2,0,0,0,0|2,0,0]=4 881 B16R1.7629 O=C(C=Cc1cc(cc(c1)F)F)NCCF WXVL_AK00466SB1124 [0,2,0,0,0,0|2,0,0]=4 882 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0761SB1601 [0,2,0,0,0,0|1,0,1]=4 883 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0761SB1601 [0,2,0,0,0,0|1,0,1]=4 884 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0761SB0417 [0,2,0,0,0,0|1,0,1]=4 885 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0761SB0417 [0,2,0,0,0,0|1,0,1]=4 886 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00544SB1601 [0,2,0,0,0,0|1,0,0]=3 887 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00544SB1601 [0,2,0,0,0,0|1,0,0]=3 888 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)O WXVL_AK00544SB0417 [0,2,0,0,0,0|1,0,0]=3 889 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)O WXVL_AK00544SB0417 [0,2,0,0,0,0|1,0,0]=3 890 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0052SB1601 [0,2,0,0,0,0|1,0,0]=3 891 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0052SB1601 [0,2,0,0,0,0|1,0,0]=3 892 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0052SB0417 [0,2,0,0,0,0|1,0,0]=3 893 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0052SB0417 [0,2,0,0,0,0|1,0,0]=3 894 B16R1.11227 C[C@H](O)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0113SB1601 [0,2,0,0,0,0|1,0,0]=3 895 B16R1.11227 C[C@H](O)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0113SB1601 [0,2,0,0,0,0|1,0,0]=3 896 B16R1.11227 C[C@H](O)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0113SB0417 [0,2,0,0,0,0|1,0,0]=3 897 B16R1.11227 C[C@H](O)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0113SB0417 [0,2,0,0,0,0|1,0,0]=3 898 B16R1.11227 O=C(C=Cc1cccc(c1)Cl)NCC(F)F WXVL_AK0136SB1601 [0,2,0,0,0,0|2,0,0]=4 899 B16R1.11227 O=C(C=Cc1cccc(c1)Cl)NCC(F)F WXVL_AK0136SB1601 [0,2,0,0,0,0|2,0,0]=4 900 B16R1.11227 O=C(C=Cc1cccc(c1)O)NCC(F)F WXVL_AK0136SB0417 [0,2,0,0,0,0|2,0,0]=4 901 B16R1.11227 O=C(C=Cc1cccc(c1)O)NCC(F)F WXVL_AK0136SB0417 [0,2,0,0,0,0|2,0,0]=4 902 B16R1.20755 CCCNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK00504SB2454 [0,2,0,0,0,0|1,0,0]=3 903 B16R1.20755 CCCNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK00504SB2454 [0,2,0,0,0,0|1,0,0]=3 904 B16R1.20755 CCCNC(=O)C=Cc1cccc(c1)OC WXVL_AK00504SB0458 [0,2,0,0,0,0|1,0,0]=3 905 B16R1.20755 CCCNC(=O)C=Cc1cccc(c1)OC WXVL_AK00504SB0458 [0,2,0,0,0,0|1,0,0]=3 906 B16R1.20755 COc1cccc(c1)C=CC(=O)NCCF WXVL_AK00466SB0458 [0,2,0,0,0,0|2,0,0]=4 907 B16R1.20755 COc1cccc(c1)C=CC(=O)NCCF WXVL_AK00466SB0458 [0,2,0,0,0,0|2,0,0]=4 908 B16R1.20755 N#Cc1cccc(c1)/C=C/C(=O)NCCF WXVL_AK00466SB2454 [0,2,0,0,0,0|2,0,0]=4 909 B16R1.20755 N#Cc1cccc(c1)/C=C/C(=O)NCCF WXVL_AK00466SB2454 [0,2,0,0,0,0|2,0,0]=4 910 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK00504SB0118 [0,2,0,0,0,0|1,0,0]=3 911 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK00504SB0118 [0,2,0,0,0,0|1,0,0]=3 912 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)Cl)NCCF WXVL_AK00466SB0118 [0,2,0,0,0,0|2,0,0]=4 913 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)Cl)NCCF WXVL_AK00466SB0118 [0,2,0,0,0,0|2,0,0]=4 914 B16R1.658 CCCNC(=O)C(=O)Cc1ccc(cc1)O WXVL_AK00504SB2710 [0,2,0,0,0,0|1,0,1]=4 915 B16R1.658 CCCNC(=O)C(=O)Cc1ccc(cc1)O WXVL_AK00504SB2710 [0,2,0,0,0,0|1,0,1]=4 916 B16R1.850 CC[C@H](C)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK00678SB0418 [0,2,0,0,0,0|1,0,0]=3 917 B16R1.850 CC[C@H](C)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK00678SB0418 [0,2,0,0,0,0|1,0,0]=3 918 B16R1.850 CC[C@H](C)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK00678SB1122 [0,2,0,0,0,0|1,0,0]=3 919 B16R1.850 CC[C@H](C)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK00678SB1122 [0,2,0,0,0,0|1,0,0]=3 920 B16R1.850 CC[C@H](C)NC(=O)C=Cc1ccc(cc1)C WXVL_AK00678SB0060 [0,2,0,0,0,0|1,0,0]=3 921 B16R1.850 CC[C@H](C)NC(=O)C=Cc1ccc(cc1)C WXVL_AK00678SB0060 [0,2,0,0,0,0|1,0,0]=3 922 B16R1.850 CC[C@H](C)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00678SB0119 [0,2,0,0,0,0|1,0,0]=3 923 B16R1.850 CC[C@H](C)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00678SB0119 [0,2,0,0,0,0|1,0,0]=3 924 B16R1.850 CC[C@H](C)NC(=O)C=Cc1ccc(cc1)F WXVL_AK00678SB1186 [0,2,0,0,0,0|1,0,0]=3 925 B16R1.850 CC[C@H](C)NC(=O)C=Cc1ccc(cc1)F WXVL_AK00678SB1186 [0,2,0,0,0,0|1,0,0]=3 926 B16R1.850 C[C@@H](CF)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK00558SB0418 [0,2,0,0,0,0|2,0,0]=4 927 B16R1.850 C[C@@H](CF)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK00558SB0418 [0,2,0,0,0,0|2,0,0]=4 928 B16R1.850 C[C@@H](CF)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK00558SB1122 [0,2,0,0,0,0|2,0,0]=4 929 B16R1.850 C[C@@H](CF)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK00558SB1122 [0,2,0,0,0,0|2,0,0]=4 930 B16R1.850 C[C@@H](CF)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00558SB0119 [0,2,0,0,0,0|2,0,0]=4 931 B16R1.850 C[C@@H](CF)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00558SB0119 [0,2,0,0,0,0|2,0,0]=4 932 B16R1.850 C[C@@H](CF)NC(=O)C=Cc1ccc(cc1)F WXVL_AK00558SB1186 [0,2,0,0,0,0|2,0,0]=4 933 B16R1.850 C[C@@H](CF)NC(=O)C=Cc1ccc(cc1)F WXVL_AK00558SB1186 [0,2,0,0,0,0|2,0,0]=4 934 B16R1.850 C[C@@H](CO)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK0109SB0418 [0,2,0,0,0,0|2,0,0]=4 935 B16R1.850 C[C@@H](CO)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK0109SB0418 [0,2,0,0,0,0|2,0,0]=4 936 B16R1.850 C[C@@H](CO)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK0109SB1122 [0,2,0,0,0,0|2,0,0]=4 937 B16R1.850 C[C@@H](CO)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK0109SB1122 [0,2,0,0,0,0|2,0,0]=4 938 B16R1.850 C[C@@H](CO)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0109SB0119 [0,2,0,0,0,0|2,0,0]=4 939 B16R1.850 C[C@@H](CO)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0109SB0119 [0,2,0,0,0,0|2,0,0]=4 940 B16R1.850 C[C@@H](CO)NC(=O)C=Cc1ccc(cc1)F WXVL_AK0109SB1186 [0,2,0,0,0,0|2,0,0]=4 941 B16R1.850 C[C@@H](CO)NC(=O)C=Cc1ccc(cc1)F WXVL_AK0109SB1186 [0,2,0,0,0,0|2,0,0]=4 942 B16R1.850 Cc1ccc(cc1)C=CC(=O)N[C@@H](C)CF WXVL_AK00558SB0060 [0,2,0,0,0,0|2,0,0]=4 943 B16R1.850 Cc1ccc(cc1)C=CC(=O)N[C@@H](C)CF WXVL_AK00558SB0060 [0,2,0,0,0,0|2,0,0]=4 944 B16R1.850 Cc1ccc(cc1)C=CC(=O)N[C@@H](C)CO WXVL_AK0109SB0060 [0,2,0,0,0,0|2,0,0]=4 945 B16R1.850 Cc1ccc(cc1)C=CC(=O)N[C@@H](C)CO WXVL_AK0109SB0060 [0,2,0,0,0,0|2,0,0]=4 946 B16R1.979 CN(CCO)C(=O)/C=C/c1ccc(cc1)O WXVL_AN2670SB0418 [0,2,0,0,0,0|2,0,0]=4 947 B16R1.979 CN(CCO)C(=O)/C=C/c1ccc(cc1)O WXVL_AN2670SB0418 [0,2,0,0,0,0|2,0,0]=4 948 B16R1.979 CN(CCO)C(=O)C=Cc1ccc(cc1)Br WXVL_AN2670SB1122 [0,2,0,0,0,0|2,0,0]=4 949 B16R1.979 CN(CCO)C(=O)C=Cc1ccc(cc1)Br WXVL_AN2670SB1122 [0,2,0,0,0,0|2,0,0]=4 950 B16R1.979 CN(CCO)C(=O)C=Cc1ccc(cc1)Cl WXVL_AN2670SB0119 [0,2,0,0,0,0|2,0,0]=4 951 B16R1.979 CN(CCO)C(=O)C=Cc1ccc(cc1)Cl WXVL_AN2670SB0119 [0,2,0,0,0,0|2,0,0]=4 952 B16R1.979 CN(CCO)C(=O)C=Cc1ccc(cc1)F WXVL_AN2670SB1186 [0,2,0,0,0,0|2,0,0]=4 953 B16R1.979 CN(CCO)C(=O)C=Cc1ccc(cc1)F WXVL_AN2670SB1186 [0,2,0,0,0,0|2,0,0]=4 954 B16R1.979 Cc1ccc(cc1)C=CC(=O)N(C)CCO WXVL_AN2670SB0060 [0,2,0,0,0,0|2,0,0]=4 955 B16R1.979 Cc1ccc(cc1)C=CC(=O)N(C)CCO WXVL_AN2670SB0060 [0,2,0,0,0,0|2,0,0]=4 956 B16R1.1061 C=C(C)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0761SB0418 [0,2,0,0,0,0|1,0,1]=4 957 B16R1.1061 C=C(C)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0761SB0418 [0,2,0,0,0,0|1,0,1]=4 958 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0761SB1122 [0,2,0,0,0,0|1,0,1]=4 959 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0761SB1122 [0,2,0,0,0,0|1,0,1]=4 960 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)C WXVL_AK0761SB0060 [0,2,0,0,0,0|1,0,1]=4 961 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)C WXVL_AK0761SB0060 [0,2,0,0,0,0|1,0,1]=4 962 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0761SB0119 [0,2,0,0,0,0|1,0,1]=4 963 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0761SB0119 [0,2,0,0,0,0|1,0,1]=4 964 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0761SB1186 [0,2,0,0,0,0|1,0,1]=4 965 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0761SB1186 [0,2,0,0,0,0|1,0,1]=4 966 B16R1.1061 CC(C)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00544SB0418 [0,2,0,0,0,0|1,0,0]=3 967 B16R1.1061 CC(C)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00544SB0418 [0,2,0,0,0,0|1,0,0]=3 968 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00544SB1122 [0,2,0,0,0,0|1,0,0]=3 969 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00544SB1122 [0,2,0,0,0,0|1,0,0]=3 970 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00544SB0119 [0,2,0,0,0,0|1,0,0]=3 971 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00544SB0119 [0,2,0,0,0,0|1,0,0]=3 972 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00544SB1186 [0,2,0,0,0,0|1,0,0]=3 973 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00544SB1186 [0,2,0,0,0,0|1,0,0]=3 974 B16R1.1061 CC(O)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0052SB0418 [0,2,0,0,0,0|1,0,0]=3 975 B16R1.1061 CC(O)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0052SB0418 [0,2,0,0,0,0|1,0,0]=3 976 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0052SB1122 [0,2,0,0,0,0|1,0,0]=3 977 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0052SB1122 [0,2,0,0,0,0|1,0,0]=3 978 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0052SB0119 [0,2,0,0,0,0|1,0,0]=3 979 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0052SB0119 [0,2,0,0,0,0|1,0,0]=3 980 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0052SB1186 [0,2,0,0,0,0|1,0,0]=3 981 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0052SB1186 [0,2,0,0,0,0|1,0,0]=3 982 B16R1.1061 C[C@H](O)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0113SB0418 [0,2,0,0,0,0|1,0,0]=3 983 B16R1.1061 C[C@H](O)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0113SB0418 [0,2,0,0,0,0|1,0,0]=3 984 B16R1.1061 C[C@H](O)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0113SB1122 [0,2,0,0,0,0|1,0,0]=3 985 B16R1.1061 C[C@H](O)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0113SB1122 [0,2,0,0,0,0|1,0,0]=3 986 B16R1.1061 C[C@H](O)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0113SB0119 [0,2,0,0,0,0|1,0,0]=3 987 B16R1.1061 C[C@H](O)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0113SB0119 [0,2,0,0,0,0|1,0,0]=3 988 B16R1.1061 C[C@H](O)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0113SB1186 [0,2,0,0,0,0|1,0,0]=3 989 B16R1.1061 C[C@H](O)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0113SB1186 [0,2,0,0,0,0|1,0,0]=3 990 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)C WXVL_AK00544SB0060 [0,2,0,0,0,0|1,0,0]=3 991 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)C WXVL_AK00544SB0060 [0,2,0,0,0,0|1,0,0]=3 992 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)O WXVL_AK0052SB0060 [0,2,0,0,0,0|1,0,0]=3 993 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)O WXVL_AK0052SB0060 [0,2,0,0,0,0|1,0,0]=3 994 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(F)F WXVL_AK0136SB0060 [0,2,0,0,0,0|2,0,0]=4 995 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(F)F WXVL_AK0136SB0060 [0,2,0,0,0,0|2,0,0]=4 996 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NC[C@H](C)O WXVL_AK0113SB0060 [0,2,0,0,0,0|1,0,0]=3 997 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NC[C@H](C)O WXVL_AK0113SB0060 [0,2,0,0,0,0|1,0,0]=3 998 B16R1.1061 O=C(/C=C/c1ccc(cc1)O)NCC(F)F WXVL_AK0136SB0418 [0,2,0,0,0,0|2,0,0]=4 999 B16R1.1061 O=C(/C=C/c1ccc(cc1)O)NCC(F)F WXVL_AK0136SB0418 [0,2,0,0,0,0|2,0,0]=4 1000 B16R1.1061 O=C(C=Cc1ccc(cc1)Br)NCC(F)F WXVL_AK0136SB1122 [0,2,0,0,0,0|2,0,0]=4 1001 B16R1.1061 O=C(C=Cc1ccc(cc1)Br)NCC(F)F WXVL_AK0136SB1122 [0,2,0,0,0,0|2,0,0]=4 1002 B16R1.1061 O=C(C=Cc1ccc(cc1)Cl)NCC(F)F WXVL_AK0136SB0119 [0,2,0,0,0,0|2,0,0]=4 1003 B16R1.1061 O=C(C=Cc1ccc(cc1)Cl)NCC(F)F WXVL_AK0136SB0119 [0,2,0,0,0,0|2,0,0]=4 1004 B16R1.1061 O=C(C=Cc1ccc(cc1)F)NCC(F)F WXVL_AK0136SB1186 [0,2,0,0,0,0|2,0,0]=4 1005 B16R1.1061 O=C(C=Cc1ccc(cc1)F)NCC(F)F WXVL_AK0136SB1186 [0,2,0,0,0,0|2,0,0]=4 1006 B16R1.1478 CCCNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK00504SB5557 [0,2,0,0,0,0|1,0,0]=3 1007 B16R1.1478 CCCNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK00504SB5557 [0,2,0,0,0,0|1,0,0]=3 1008 B16R1.1478 CCCNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK00504SB8094 [0,2,0,0,0,0|1,0,0]=3 1009 B16R1.1478 CCCNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK00504SB8094 [0,2,0,0,0,0|1,0,0]=3 1010 B16R1.1478 CCCNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK00504SB1318 [0,2,0,0,0,0|1,0,0]=3 1011 B16R1.1478 CCCNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK00504SB1318 [0,2,0,0,0,0|1,0,0]=3 1012 B16R1.1478 CCCNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK00504SB1257 [0,2,0,0,0,0|1,0,0]=3 1013 B16R1.1478 CCCNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK00504SB1257 [0,2,0,0,0,0|1,0,0]=3 1014 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK00504SB0256 [0,2,0,0,0,0|1,0,0]=3 1015 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK00504SB0256 [0,2,0,0,0,0|1,0,0]=3 1016 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK00504SB3115 [0,2,0,0,0,0|1,0,0]=3 1017 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK00504SB3115 [0,2,0,0,0,0|1,0,0]=3 1018 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK00504SB0235 [0,2,0,0,0,0|1,0,0]=3 1019 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK00504SB0235 [0,2,0,0,0,0|1,0,0]=3 1020 B16R1.1478 O=C(/C=C/c1ccc(cc1Cl)Br)NCCF WXVL_AK00466SB5557 [0,2,0,0,0,0|2,0,0]=4 1021 B16R1.1478 O=C(/C=C/c1ccc(cc1Cl)Br)NCCF WXVL_AK00466SB5557 [0,2,0,0,0,0|2,0,0]=4 1022 B16R1.1478 O=C(/C=C/c1ccc(cc1Cl)O)NCCF WXVL_AK00466SB8094 [0,2,0,0,0,0|2,0,0]=4 1023 B16R1.1478 O=C(/C=C/c1ccc(cc1Cl)O)NCCF WXVL_AK00466SB8094 [0,2,0,0,0,0|2,0,0]=4 1024 B16R1.1478 O=C(/C=C/c1ccc(cc1F)Br)NCCF WXVL_AK00466SB1318 [0,2,0,0,0,0|2,0,0]=4 1025 B16R1.1478 O=C(/C=C/c1ccc(cc1F)Br)NCCF WXVL_AK00466SB1318 [0,2,0,0,0,0|2,0,0]=4 1026 B16R1.1478 O=C(/C=C/c1ccc(cc1F)F)NCCF WXVL_AK00466SB1257 [0,2,0,0,0,0|2,0,0]=4 1027 B16R1.1478 O=C(/C=C/c1ccc(cc1F)F)NCCF WXVL_AK00466SB1257 [0,2,0,0,0,0|2,0,0]=4 1028 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)Cl)NCCF WXVL_AK00466SB0256 [0,2,0,0,0,0|2,0,0]=4 1029 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)Cl)NCCF WXVL_AK00466SB0256 [0,2,0,0,0,0|2,0,0]=4 1030 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)F)NCCF WXVL_AK00466SB3115 [0,2,0,0,0,0|2,0,0]=4 1031 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)F)NCCF WXVL_AK00466SB3115 [0,2,0,0,0,0|2,0,0]=4 1032 B16R1.1478 O=C(C=Cc1ccc(cc1F)Cl)NCCF WXVL_AK00466SB0235 [0,2,0,0,0,0|2,0,0]=4 1033 B16R1.1478 O=C(C=Cc1ccc(cc1F)Cl)NCCF WXVL_AK00466SB0235 [0,2,0,0,0,0|2,0,0]=4 1034 B16R1.1480 CCCNC(=O)/C=C/c1ccc(cc1)OC WXVL_AK00504SB0120 [0,2,0,0,0,0|1,0,0]=3 1035 B16R1.1480 CCCNC(=O)/C=C/c1ccc(cc1)OC WXVL_AK00504SB0120 [0,2,0,0,0,0|1,0,0]=3 1036 B16R1.1480 COc1ccc(cc1)/C=C/C(=O)NCCF WXVL_AK00466SB0120 [0,2,0,0,0,0|2,0,0]=4 1037 B16R1.1480 COc1ccc(cc1)/C=C/C(=O)NCCF WXVL_AK00466SB0120 [0,2,0,0,0,0|2,0,0]=4 1038 B16R1.1127 C=C(Cc1ccccc1)C(=O)N[C@@H](C)CC WXVL_AK00678SB0413 [0,2,0,0,0,0|1,0,1]=4 1039 B16R1.1127 C=C(Cc1ccccc1)C(=O)N[C@@H](C)CC WXVL_AK00678SB0413 [0,2,0,0,0,0|1,0,1]=4 1040 B16R1.1127 CC[C@H](C)NC(=O)/C(=C/c1cccnc1)/C WXVL_AK00678SA1933 [0,2,0,0,0,0|2,0,0]=4 1041 B16R1.1127 CC[C@H](C)NC(=O)/C(=C/c1cccnc1)/C WXVL_AK00678SA1933 [0,2,0,0,0,0|2,0,0]=4 1042 B16R1.1284 C/C(=C\c1cccnc1)/C(=O)NCC(C)C WXVL_AK00544SA1933 [0,2,0,0,0,0|2,0,0]=4 1043 B16R1.1284 C/C(=C\c1cccnc1)/C(=O)NCC(C)C WXVL_AK00544SA1933 [0,2,0,0,0,0|2,0,0]=4 1044 B16R1.1284 C/C(=C\c1cccnc1)/C(=O)NCC(C)O WXVL_AK0052SA1933 [0,2,0,0,0,0|2,0,0]=4 1045 B16R1.1284 C/C(=C\c1cccnc1)/C(=O)NCC(C)O WXVL_AK0052SA1933 [0,2,0,0,0,0|2,0,0]=4 1046 B16R1.1284 C/C(=C\c1cccnc1)/C(=O)NC[C@H](C)O WXVL_AK0113SA1933 [0,2,0,0,0,0|2,0,0]=4 1047 B16R1.1284 C/C(=C\c1cccnc1)/C(=O)NC[C@H](C)O WXVL_AK0113SA1933 [0,2,0,0,0,0|2,0,0]=4 1048 B16R1.1284 C=C(Cc1ccccc1)C(=O)NCC(C)C WXVL_AK00544SB0413 [0,2,0,0,0,0|1,0,1]=4 1049 B16R1.1284 C=C(Cc1ccccc1)C(=O)NCC(C)C WXVL_AK00544SB0413 [0,2,0,0,0,0|1,0,1]=4 1050 B16R1.1284 C=C(Cc1ccccc1)C(=O)NCC(C)O WXVL_AK0052SB0413 [0,2,0,0,0,0|1,0,1]=4 1051 B16R1.1284 C=C(Cc1ccccc1)C(=O)NCC(C)O WXVL_AK0052SB0413 [0,2,0,0,0,0|1,0,1]=4 1052 B16R1.1284 C=C(Cc1ccccc1)C(=O)NC[C@H](C)O WXVL_AK0113SB0413 [0,2,0,0,0,0|1,0,1]=4 1053 B16R1.1284 C=C(Cc1ccccc1)C(=O)NC[C@H](C)O WXVL_AK0113SB0413 [0,2,0,0,0,0|1,0,1]=4 1054 B16R1.853 CC[C@H](C)NC(=O)C=Cc1ccccc1Br WXVL_AK00678SB3065 [0,2,0,0,0,0|1,0,0]=3 1055 B16R1.853 CC[C@H](C)NC(=O)C=Cc1ccccc1Br WXVL_AK00678SB3065 [0,2,0,0,0,0|1,0,0]=3 1056 B16R1.853 C[C@@H](CF)NC(=O)C=Cc1ccccc1Br WXVL_AK00558SB3065 [0,2,0,0,0,0|2,0,0]=4 1057 B16R1.853 C[C@@H](CF)NC(=O)C=Cc1ccccc1Br WXVL_AK00558SB3065 [0,2,0,0,0,0|2,0,0]=4 1058 B16R1.853 C[C@@H](CO)NC(=O)C=Cc1ccccc1Br WXVL_AK0109SB3065 [0,2,0,0,0,0|2,0,0]=4 1059 B16R1.853 C[C@@H](CO)NC(=O)C=Cc1ccccc1Br WXVL_AK0109SB3065 [0,2,0,0,0,0|2,0,0]=4 1060 B16R1.7289 C=C[C@@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK00581SB0115 [0,2,0,0,0,0|2,0,0]=4 1061 B16R1.7289 C=C[C@@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK00581SB0115 [0,2,0,0,0,0|2,0,0]=4 1062 B16R1.7289 CC[C@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK0111SB0115 [0,2,0,0,0,0|1,0,0]=3 1063 B16R1.7289 CC[C@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK0111SB0115 [0,2,0,0,0,0|1,0,0]=3 1064 B16R1.7289 CC[C@H](CO)NC(=O)/C=C/c1cccnc1 WXVL_AK0111SA0193 [0,2,0,0,0,0|2,0,0]=4 1065 B16R1.7289 CC[C@H](CO)NC(=O)/C=C/c1cccnc1 WXVL_AK0111SA0193 [0,2,0,0,0,0|2,0,0]=4 1066 B16R1.7289 O=C(/C=C/c1ccccc1)NC(CO)CO WXVL_AK0741SB0115 [0,2,0,0,0,0|2,0,0]=4 1067 B16R1.7289 O=C(/C=C/c1ccccc1)NC(CO)CO WXVL_AK0741SB0115 [0,2,0,0,0,0|2,0,0]=4 1068 B16R1.10317 CC(C)(CO)NC(=O)/C=C/c1ccccc1 WXVL_AK0025SB0115 [0,2,0,0,0,0|2,0,0]=4 1069 B16R1.10317 CC(C)(CO)NC(=O)/C=C/c1ccccc1 WXVL_AK0025SB0115 [0,2,0,0,0,0|2,0,0]=4 1070 B16R1.17161 CC[C@H](C)NS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00678HU0026 [0,2,0,0,0,0|2,0,0]=4 1071 B16R1.17161 CC[C@H](C)NS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00678HU0026 [0,2,0,0,0,0|2,0,0]=4 1072 B16R1.194 CCN(CCO)C(=O)/C=C/c1ccccc1 WXVL_AN3174SB0115 [0,2,0,0,0,0|2,0,0]=4 1073 B16R1.4553 CN(CCO)C(=O)C=Cc1ccccc1Br WXVL_AN2670SB3065 [0,2,0,0,0,0|2,0,0]=4 1074 B16R1.4553 CN(CCO)C(=O)C=Cc1ccccc1Br WXVL_AN2670SB3065 [0,2,0,0,0,0|2,0,0]=4 1075 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Br WXVL_AK0761SB3065 [0,2,0,0,0,0|1,0,1]=4 1076 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Br WXVL_AK0761SB3065 [0,2,0,0,0,0|1,0,1]=4 1077 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Br WXVL_AK00544SB3065 [0,2,0,0,0,0|1,0,0]=3 1078 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Br WXVL_AK00544SB3065 [0,2,0,0,0,0|1,0,0]=3 1079 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1Br WXVL_AK0052SB3065 [0,2,0,0,0,0|1,0,0]=3 1080 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1Br WXVL_AK0052SB3065 [0,2,0,0,0,0|1,0,0]=3 1081 B16R1.400 C[C@H](O)CNC(=O)C=Cc1ccccc1Br WXVL_AK0113SB3065 [0,2,0,0,0,0|1,0,0]=3 1082 B16R1.400 C[C@H](O)CNC(=O)C=Cc1ccccc1Br WXVL_AK0113SB3065 [0,2,0,0,0,0|1,0,0]=3 1083 B16R1.400 O=C(C=Cc1ccccc1Br)NCC(F)F WXVL_AK0136SB3065 [0,2,0,0,0,0|2,0,0]=4 1084 B16R1.400 O=C(C=Cc1ccccc1Br)NCC(F)F WXVL_AK0136SB3065 [0,2,0,0,0,0|2,0,0]=4 1085 B16R1.1771 CC(C)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00544HU0026 [0,2,0,0,0,0|2,0,0]=4 1086 B16R1.1771 CC(C)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00544HU0026 [0,2,0,0,0,0|2,0,0]=4 1087 B16R1.1771 CC(O)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0052HU0026 [0,2,0,0,0,0|2,0,0]=4 1088 B16R1.1771 CC(O)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0052HU0026 [0,2,0,0,0,0|2,0,0]=4 1089 B16R1.1771 C[C@H](O)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0113HU0026 [0,2,0,0,0,0|2,0,0]=4 1090 B16R1.1771 C[C@H](O)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0113HU0026 [0,2,0,0,0,0|2,0,0]=4 1091 B16R1.22556 CC(C)(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00655SB0115 [0,2,0,0,0,0|1,0,0]=3 1092 B16R1.22556 CC(C)(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00655SB0115 [0,2,0,0,0,0|1,0,0]=3 1093 B16R1.22556 CC(C)(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00655SA0193 [0,2,0,0,0,0|2,0,0]=4 1094 B16R1.22556 CC(C)(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00655SA0193 [0,2,0,0,0,0|2,0,0]=4 1095 B16R1.22556 CC(C)(F)CNC(=O)/C=C/c1ccccc1 WXVL_AK00660SB0115 [0,2,0,0,0,0|1,0,0]=3 1096 B16R1.22556 CC(C)(F)CNC(=O)/C=C/c1ccccc1 WXVL_AK00660SB0115 [0,2,0,0,0,0|1,0,0]=3 1097 B16R1.22556 CC(C)(F)CNC(=O)/C=C/c1cccnc1 WXVL_AK00660SA0193 [0,2,0,0,0,0|2,0,0]=4 1098 B16R1.22556 CC(C)(F)CNC(=O)/C=C/c1cccnc1 WXVL_AK00660SA0193 [0,2,0,0,0,0|2,0,0]=4 1099 B16R1.22556 CC(C)(O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0490SB0115 [0,2,0,0,0,0|1,0,0]=3 1100 B16R1.22556 CC(C)(O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0490SB0115 [0,2,0,0,0,0|1,0,0]=3 1101 B16R1.22556 CC(C)(O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0490SA0193 [0,2,0,0,0,0|2,0,0]=4 1102 B16R1.22556 CC(C)(O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0490SA0193 [0,2,0,0,0,0|2,0,0]=4 1103 B16R1.22556 CC(F)(F)CNC(=O)/C=C/c1ccccc1 WXVL_AK0308SB0115 [0,2,0,0,0,0|1,0,0]=3 1104 B16R1.22556 CC(F)(F)CNC(=O)/C=C/c1ccccc1 WXVL_AK0308SB0115 [0,2,0,0,0,0|1,0,0]=3 1105 B16R1.22556 CC(F)(F)CNC(=O)/C=C/c1cccnc1 WXVL_AK0308SA0193 [0,2,0,0,0,0|2,0,0]=4 1106 B16R1.22556 CC(F)(F)CNC(=O)/C=C/c1cccnc1 WXVL_AK0308SA0193 [0,2,0,0,0,0|2,0,0]=4 1107 B16R1.22556 O=C(/C=C/c1ccccc1)NCC(F)(F)F WXVL_AK00033SB0115 [0,2,0,0,0,0|2,0,0]=4 1108 B16R1.22556 O=C(/C=C/c1ccccc1)NCC(F)(F)F WXVL_AK00033SB0115 [0,2,0,0,0,0|2,0,0]=4 1109 B14R2.2899 O=C(NCc1ccccc1)C2CC2 WXVL_AK00502SB0038 [1,0,0,1,0,0|1,0,1]=4 1110 B14R2.2899 O=C(NCc1ccccc1)C2CC2 WXVL_AK00502SB0038 [1,0,0,1,0,0|1,0,1]=4 1111 B14R2.343 CC1CC1C(=O)Nc2ccccc2 WXVL_AG00183SB0041 [0,0,0,1,1,0|2,0,0]=4 1112 B14R2.343 CC1CC1C(=O)Nc2ccccc2 WXVL_AG00183SB0041 [0,0,0,1,1,0|2,0,0]=4 1113 B14R2.9589 O=C(Nc1ccccc1)C2CCC2 WXVL_AG00183SB0042 [0,0,0,1,1,0|2,0,0]=4 1114 B14R2.9589 O=C(Nc1ccccc1)C2CCC2 WXVL_AG00183SB0042 [0,0,0,1,1,0|2,0,0]=4 1115 B14R2.9593 O=C(CC1CC1)Nc2ccccc2 WXVL_AG00183SB0155 [0,0,0,1,1,0|2,0,0]=4 1116 B14R2.9593 O=C(CC1CC1)Nc2ccccc2 WXVL_AG00183SB0155 [0,0,0,1,1,0|2,0,0]=4 1117 B14R2.9593 O=C(Cc1ccccc1)NC2CC2 WXVL_AK0001SB0092 [0,0,0,1,1,0|1,0,1]=4 1118 B14R2.9593 O=C(Cc1ccccc1)NC2CC2 WXVL_AK0001SB0092 [0,0,0,1,1,0|1,0,1]=4 1119 B14R2.13184 O=C(/C=C/c1ccco1)NC2CC2 WXVL_AK0001SA0180 [0,0,0,1,1,0|2,0,0]=4 1120 B14R2.13184 O=C(/C=C/c1ccco1)NC2CC2 WXVL_AK0001SA0180 [0,0,0,1,1,0|2,0,0]=4 1121 B14R2.13184 O=C(/C=C/c1cccs1)NC2CC2 WXVL_AK0001SA0001 [0,0,0,1,1,0|2,0,0]=4 1122 B14R2.13184 O=C(/C=C/c1cccs1)NC2CC2 WXVL_AK0001SA0001 [0,0,0,1,1,0|2,0,0]=4 1123 B14R2.13184 O=C(/C=C/c1ccoc1)NC2CC2 WXVL_AK0001SA0047 [0,0,0,1,1,0|2,0,0]=4 1124 B14R2.13184 O=C(/C=C/c1ccoc1)NC2CC2 WXVL_AK0001SA0047 [0,0,0,1,1,0|2,0,0]=4 1125 B14R2.13184 O=C(/C=C/c1ccsc1)NC2CC2 WXVL_AK0001SA0251 [0,0,0,1,1,0|2,0,0]=4 1126 B14R2.13184 O=C(/C=C/c1ccsc1)NC2CC2 WXVL_AK0001SA0251 [0,0,0,1,1,0|2,0,0]=4 1127 B16R2.37 CCCNC(=O)c1c[nH]c2c1cccn2 WXVL_AK00504SE0048 [0,0,0,1,0,1|2,0,0]=4 1128 B16R2.37 CCCNC(=O)c1c[nH]c2c1cccn2 WXVL_AK00504SE0048 [0,0,0,1,0,1|2,0,0]=4 1129 B16R2.37 CCCNC(=O)c1c[nH]c2c1ccnc2 WXVL_AK00504SE0638 [0,0,0,1,0,1|2,0,0]=4 1130 B16R2.37 CCCNC(=O)c1c[nH]c2c1ccnc2 WXVL_AK00504SE0638 [0,0,0,1,0,1|2,0,0]=4 1131 B16R2.37 CCCNC(=O)c1cnc2n1cccc2 WXVL_AK00504SE0102 [0,0,0,1,0,1|2,0,0]=4 1132 B16R2.37 CCCNC(=O)c1cnc2n1cccc2 WXVL_AK00504SE0102 [0,0,0,1,0,1|2,0,0]=4 1133 B16R2.37 CCCNC(=O)c1cnn2c1cccc2 WXVL_AK00504SE0033 [0,0,0,1,0,1|2,0,0]=4 1134 B16R2.37 CCCNC(=O)c1cnn2c1cccc2 WXVL_AK00504SE0033 [0,0,0,1,0,1|2,0,0]=4 1135 B16R2.37 CCCNC(=O)c1coc2c1cccc2 WXVL_AK00504SE0302 [0,0,0,1,0,1|1,0,0]=3 1136 B16R2.37 CCCNC(=O)c1coc2c1cccc2 WXVL_AK00504SE0302 [0,0,0,1,0,1|1,0,0]=3 1137 B16R2.37 CCCNC(=O)c1csc2c1cccc2 WXVL_AK00504SE0108 [0,0,0,1,0,1|1,0,0]=3 1138 B16R2.37 CCCNC(=O)c1csc2c1cccc2 WXVL_AK00504SE0108 [0,0,0,1,0,1|1,0,0]=3 1139 B16R2.37 CCCNC(=O)c1n[nH]c2c1cccc2 WXVL_AK00504SE0379 [0,0,0,1,0,1|2,0,0]=4 1140 B16R2.37 CCCNC(=O)c1n[nH]c2c1cccc2 WXVL_AK00504SE0379 [0,0,0,1,0,1|2,0,0]=4 1141 B16R2.37 CCCNC(=O)c1onc2c1cccc2 WXVL_AK00504SE0896 [0,0,0,1,0,1|2,0,0]=4 1142 B16R2.37 CCCNC(=O)c1onc2c1cccc2 WXVL_AK00504SE0896 [0,0,0,1,0,1|2,0,0]=4 1143 B16R2.37 O=C(NCCF)c1coc2c1cccc2 WXVL_AK00466SE0302 [0,0,0,1,0,1|2,0,0]=4 1144 B16R2.37 O=C(NCCF)c1coc2c1cccc2 WXVL_AK00466SE0302 [0,0,0,1,0,1|2,0,0]=4 1145 B16R2.37 O=C(NCCF)c1csc2c1cccc2 WXVL_AK00466SE0108 [0,0,0,1,0,1|2,0,0]=4 1146 B16R2.37 O=C(NCCF)c1csc2c1cccc2 WXVL_AK00466SE0108 [0,0,0,1,0,1|2,0,0]=4 1147 B16R2.2238 O=C(/C=C/c1ccccc1)N2CCCC2 WXVL_AN0008SB0115 [0,1,0,1,0,0|1,0,0]=3 1148 B16R2.2238 O=C(/C=C/c1ccccc1)N2CCCC2 WXVL_AN0008SB0115 [0,1,0,1,0,0|1,0,0]=3 1149 B16R2.2238 O=C(/C=C/c1cccnc1)N2CCCC2 WXVL_AN0008SA0193 [0,1,0,1,0,0|2,0,0]=4 1150 B16R2.2238 O=C(/C=C/c1cccnc1)N2CCCC2 WXVL_AN0008SA0193 [0,1,0,1,0,0|2,0,0]=4 1151 B16R2.2238 O=C(NCc1ccccc1)C2CCCO2 WXVL_AK00502SB1033 [0,1,0,1,0,0|1,0,1]=4 1152 B16R2.2238 O=C(NCc1ccccc1)C2CCCO2 WXVL_AK00502SB1033 [0,1,0,1,0,0|1,0,1]=4 1153 B16R2.2238 O=C(NCc1ccccc1)[C@H]2CCCO2 WXVL_AK00502SB00043 [0,1,0,1,0,0|1,0,1]=4 1154 B16R2.2238 O=C(NCc1ccccc1)[C@H]2CCCO2 WXVL_AK00502SB00043 [0,1,0,1,0,0|1,0,1]=4 1155 B16R2.44148 O=C(/C=C/c1ccccc1)NC2CNC2 WXVL_AK1291SB0115 [0,1,0,1,0,0|1,0,0]=3 1156 B16R2.44148 O=C(/C=C/c1ccccc1)NC2CNC2 WXVL_AK1291SB0115 [0,1,0,1,0,0|1,0,0]=3 1157 B16R2.44148 O=C(/C=C/c1ccccc1)NC2CSC2 WXVL_AK2089SB0115 [0,1,0,1,0,0|1,0,0]=3 1158 B16R2.44148 O=C(/C=C/c1ccccc1)NC2CSC2 WXVL_AK2089SB0115 [0,1,0,1,0,0|1,0,0]=3 1159 B16R2.44148 O=C(/C=C/c1cccnc1)NC2CNC2 WXVL_AK1291SA0193 [0,1,0,1,0,0|2,0,0]=4 1160 B16R2.44148 O=C(/C=C/c1cccnc1)NC2CNC2 WXVL_AK1291SA0193 [0,1,0,1,0,0|2,0,0]=4 1161 B16R2.44148 O=C(/C=C/c1cccnc1)NC2CSC2 WXVL_AK2089SA0193 [0,1,0,1,0,0|2,0,0]=4 1162 B16R2.44148 O=C(/C=C/c1cccnc1)NC2CSC2 WXVL_AK2089SA0193 [0,1,0,1,0,0|2,0,0]=4 1163 B16R2.88 O=C(Nc1ccccc1)C2=CCCCO2 WXVL_AG00183SB4858 [0,1,0,1,0,0|2,0,0]=4 1164 B16R2.88 O=C(Nc1ccccc1)C2=CCCCO2 WXVL_AG00183SB4858 [0,1,0,1,0,0|2,0,0]=4 1165 B16R2.27712 O=C(NC(=O)c1ccccc1)NC2CC2 WXVL_AK0001YV0027 [0,1,0,1,0,0|2,0,0]=4 1166 B16R2.27712 O=C(NC(=O)c1ccccc1)NC2CC2 WXVL_AK0001YV0027 [0,1,0,1,0,0|2,0,0]=4 1167 B16R2.11914 O=C(C=Cc1cccc(c1)Cl)NC2CC2 WXVL_AK0001SB1601 [0,1,0,1,0,0|1,0,0]=3 1168 B16R2.11914 O=C(C=Cc1cccc(c1)Cl)NC2CC2 WXVL_AK0001SB1601 [0,1,0,1,0,0|1,0,0]=3 1169 B16R2.11914 O=C(C=Cc1cccc(c1)O)NC2CC2 WXVL_AK0001SB0417 [0,1,0,1,0,0|1,0,0]=3 1170 B16R2.11914 O=C(C=Cc1cccc(c1)O)NC2CC2 WXVL_AK0001SB0417 [0,1,0,1,0,0|1,0,0]=3 1171 B16R2.11574 Cc1ccc(cc1)C=CC(=O)NC2CC2 WXVL_AK0001SB0060 [0,1,0,1,0,0|1,0,0]=3 1172 B16R2.11574 Cc1ccc(cc1)C=CC(=O)NC2CC2 WXVL_AK0001SB0060 [0,1,0,1,0,0|1,0,0]=3 1173 B16R2.11574 O=C(/C=C/c1ccc(cc1)O)NC2CC2 WXVL_AK0001SB0418 [0,1,0,1,0,0|1,0,0]=3 1174 B16R2.11574 O=C(/C=C/c1ccc(cc1)O)NC2CC2 WXVL_AK0001SB0418 [0,1,0,1,0,0|1,0,0]=3 1175 B16R2.11574 O=C(C=Cc1ccc(cc1)Br)NC2CC2 WXVL_AK0001SB1122 [0,1,0,1,0,0|1,0,0]=3 1176 B16R2.11574 O=C(C=Cc1ccc(cc1)Br)NC2CC2 WXVL_AK0001SB1122 [0,1,0,1,0,0|1,0,0]=3 1177 B16R2.11574 O=C(C=Cc1ccc(cc1)Cl)NC2CC2 WXVL_AK0001SB0119 [0,1,0,1,0,0|1,0,0]=3 1178 B16R2.11574 O=C(C=Cc1ccc(cc1)Cl)NC2CC2 WXVL_AK0001SB0119 [0,1,0,1,0,0|1,0,0]=3 1179 B16R2.11574 O=C(C=Cc1ccc(cc1)F)NC2CC2 WXVL_AK0001SB1186 [0,1,0,1,0,0|1,0,0]=3 1180 B16R2.11574 O=C(C=Cc1ccc(cc1)F)NC2CC2 WXVL_AK0001SB1186 [0,1,0,1,0,0|1,0,0]=3 1181 B16R2.2128 CCCNC(=O)c1cc2ccccc2[nH]1 WXVL_AK00504SE0001 [0,1,0,1,0,0|1,0,0]=3 1182 B16R2.2128 CCCNC(=O)c1cc2ccccc2[nH]1 WXVL_AK00504SE0001 [0,1,0,1,0,0|1,0,0]=3 1183 B16R2.2128 CCCNC(=O)c1cc2ccccc2o1 WXVL_AK00504SE0105 [0,1,0,1,0,0|1,0,0]=3 1184 B16R2.2128 CCCNC(=O)c1cc2ccccc2o1 WXVL_AK00504SE0105 [0,1,0,1,0,0|1,0,0]=3 1185 B16R2.2128 CCCNC(=O)c1cc2ccccc2s1 WXVL_AK00504SE0107 [0,1,0,1,0,0|1,0,0]=3 1186 B16R2.2128 CCCNC(=O)c1cc2ccccc2s1 WXVL_AK00504SE0107 [0,1,0,1,0,0|1,0,0]=3 1187 B16R2.2128 CCCNC(=O)c1cc2ccccn2n1 WXVL_AK00504SE0030 [0,1,0,1,0,0|2,0,0]=4 1188 B16R2.2128 CCCNC(=O)c1cc2ccccn2n1 WXVL_AK00504SE0030 [0,1,0,1,0,0|2,0,0]=4 1189 B16R2.2128 CCCNC(=O)c1cc2cccnc2[nH]1 WXVL_AK00504SE0450 [0,1,0,1,0,0|2,0,0]=4 1190 B16R2.2128 CCCNC(=O)c1cc2cccnc2[nH]1 WXVL_AK00504SE0450 [0,1,0,1,0,0|2,0,0]=4 1191 B16R2.2128 CCCNC(=O)c1cc2cccnc2s1 WXVL_AK00504SE0061 [0,1,0,1,0,0|2,0,0]=4 1192 B16R2.2128 CCCNC(=O)c1cc2cccnc2s1 WXVL_AK00504SE0061 [0,1,0,1,0,0|2,0,0]=4 1193 B16R2.2128 CCCNC(=O)c1cc2cnccc2[nH]1 WXVL_AK00504SE0511 [0,1,0,1,0,0|2,0,0]=4 1194 B16R2.2128 CCCNC(=O)c1cc2cnccc2[nH]1 WXVL_AK00504SE0511 [0,1,0,1,0,0|2,0,0]=4 1195 B16R2.2128 CCCNC(=O)c1cc2ncccc2[nH]1 WXVL_AK00504SE0680 [0,1,0,1,0,0|2,0,0]=4 1196 B16R2.2128 CCCNC(=O)c1cc2ncccc2[nH]1 WXVL_AK00504SE0680 [0,1,0,1,0,0|2,0,0]=4 1197 B16R2.2128 CCCNC(=O)c1nc2ccccc2[nH]1 WXVL_AK00504SE0026 [0,1,0,1,0,0|2,0,0]=4 1198 B16R2.2128 CCCNC(=O)c1nc2ccccc2[nH]1 WXVL_AK00504SE0026 [0,1,0,1,0,0|2,0,0]=4 1199 B16R2.2128 CCCNC(=O)c1nc2ccccc2o1 WXVL_AK00504SE0704 [0,1,0,1,0,0|2,0,0]=4 1200 B16R2.2128 CCCNC(=O)c1nc2ccccc2o1 WXVL_AK00504SE0704 [0,1,0,1,0,0|2,0,0]=4 1201 B16R2.2128 O=C(NCCF)c1cc2ccccc2[nH]1 WXVL_AK00466SE0001 [0,1,0,1,0,0|2,0,0]=4 1202 B16R2.2128 O=C(NCCF)c1cc2ccccc2[nH]1 WXVL_AK00466SE0001 [0,1,0,1,0,0|2,0,0]=4 1203 B16R2.2128 O=C(NCCF)c1cc2ccccc2o1 WXVL_AK00466SE0105 [0,1,0,1,0,0|2,0,0]=4 1204 B16R2.2128 O=C(NCCF)c1cc2ccccc2o1 WXVL_AK00466SE0105 [0,1,0,1,0,0|2,0,0]=4 1205 B16R2.2128 O=C(NCCF)c1cc2ccccc2s1 WXVL_AK00466SE0107 [0,1,0,1,0,0|2,0,0]=4 1206 B16R2.2128 O=C(NCCF)c1cc2ccccc2s1 WXVL_AK00466SE0107 [0,1,0,1,0,0|2,0,0]=4 1207 B16R2.27766 C/C(=C\c1cccnc1)/C(=O)NC2CC2 WXVL_AK0001SA1933 [0,1,0,1,0,0|2,0,0]=4 1208 B16R2.27766 C/C(=C\c1cccnc1)/C(=O)NC2CC2 WXVL_AK0001SA1933 [0,1,0,1,0,0|2,0,0]=4 1209 B16R2.27766 C=C(Cc1ccccc1)C(=O)NC2CC2 WXVL_AK0001SB0413 [0,1,0,1,0,0|1,0,1]=4 1210 B16R2.27766 C=C(Cc1ccccc1)C(=O)NC2CC2 WXVL_AK0001SB0413 [0,1,0,1,0,0|1,0,1]=4 1211 B16R2.5766 CC1(CC1)NC(=O)/C=C/c2ccccc2 WXVL_AK0263SB0115 [0,1,0,1,0,0|1,0,0]=3 1212 B16R2.5766 CC1(CC1)NC(=O)/C=C/c2ccccc2 WXVL_AK0263SB0115 [0,1,0,1,0,0|1,0,0]=3 1213 B16R2.5766 CC1(CC1)NC(=O)/C=C/c2cccnc2 WXVL_AK0263SA0193 [0,1,0,1,0,0|2,0,0]=4 1214 B16R2.5766 CC1(CC1)NC(=O)/C=C/c2cccnc2 WXVL_AK0263SA0193 [0,1,0,1,0,0|2,0,0]=4 1215 B16R2.3322 CC1CN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN0291SB0115 [0,1,0,1,0,0|1,0,0]=3 1216 B16R2.3322 CC1CN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN0291SB0115 [0,1,0,1,0,0|1,0,0]=3 1217 B16R2.3322 CC1CN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN0291SA0193 [0,1,0,1,0,0|2,0,0]=4 1218 B16R2.3322 CC1CN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN0291SA0193 [0,1,0,1,0,0|2,0,0]=4 1219 B16R2.3322 O=C(/C=C/c1ccccc1)N2CC(C2)O WXVL_AN0284SB0115 [0,1,0,1,0,0|1,0,0]=3 1220 B16R2.3322 O=C(/C=C/c1ccccc1)N2CC(C2)O WXVL_AN0284SB0115 [0,1,0,1,0,0|1,0,0]=3 1221 B16R2.3322 O=C(/C=C/c1cccnc1)N2CC(C2)O WXVL_AN0284SA0193 [0,1,0,1,0,0|2,0,0]=4 1222 B16R2.3322 O=C(/C=C/c1cccnc1)N2CC(C2)O WXVL_AN0284SA0193 [0,1,0,1,0,0|2,0,0]=4 1223 B16R2.44151 CN(C(=O)/C=C/c1ccccc1)C2CC2 WXVL_AN0276SB0115 [0,1,0,1,0,0|1,0,0]=3 1224 B16R2.44151 CN(C(=O)/C=C/c1ccccc1)C2CC2 WXVL_AN0276SB0115 [0,1,0,1,0,0|1,0,0]=3 1225 B16R2.44151 CN(C(=O)/C=C/c1cccnc1)C2CC2 WXVL_AN0276SA0193 [0,1,0,1,0,0|2,0,0]=4 1226 B16R2.44151 CN(C(=O)/C=C/c1cccnc1)C2CC2 WXVL_AN0276SA0193 [0,1,0,1,0,0|2,0,0]=4 1227 B16R2.14690 O=C(C=Cc1ccccc1Br)NC2CC2 WXVL_AK0001SB3065 [0,1,0,1,0,0|1,0,0]=3 1228 B16R2.14690 O=C(C=Cc1ccccc1Br)NC2CC2 WXVL_AK0001SB3065 [0,1,0,1,0,0|1,0,0]=3 1229 B16R2.322173 O=S(=O)(/C=C/c1ccccc1)NC2CC2 WXVL_AK0001HU0026 [0,1,0,1,0,0|2,0,0]=4 1230 B16R2.322173 O=S(=O)(/C=C/c1ccccc1)NC2CC2 WXVL_AK0001HU0026 [0,1,0,1,0,0|2,0,0]=4 1231 B12R1.32 CCCC(=O)Nc1ccccc1 WXVL_AG00183SB0073 [1,0,0,0,1,0|1,0,0]=3 1232 B12R1.32 CCCC(=O)Nc1ccccc1 WXVL_AG00183SB0073 [1,0,0,0,1,0|1,0,0]=3 1233 B12R1.32 CCCC(=O)Nc1ccccn1 WXVL_AF00298SB0073 [1,0,0,0,1,0|2,0,0]=4 1234 B12R1.32 CCCC(=O)Nc1ccccn1 WXVL_AF00298SB0073 [1,0,0,0,1,0|2,0,0]=4 1235 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [1,0,0,0,1,0|1,0,1]=4 1236 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [1,0,0,0,1,0|1,0,1]=4 1237 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [1,0,0,0,1,0|2,0,0]=4 1238 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [1,0,0,0,1,0|2,0,0]=4 1239 B12R1.32 CSCC(=O)Nc1ccccc1 WXVL_AG00183SB1267 [1,0,0,0,1,0|2,0,0]=4 1240 B12R1.32 CSCC(=O)Nc1ccccc1 WXVL_AG00183SB1267 [1,0,0,0,1,0|2,0,0]=4 1241 B12R1.51 CCNC(=O)/C=C/c1ccco1 WXVL_AK00476SA0180 [1,0,0,0,1,0|2,0,0]=4 1242 B12R1.51 CCNC(=O)/C=C/c1ccco1 WXVL_AK00476SA0180 [1,0,0,0,1,0|2,0,0]=4 1243 B12R1.51 CCNC(=O)/C=C/c1cccs1 WXVL_AK00476SA0001 [1,0,0,0,1,0|2,0,0]=4 1244 B12R1.51 CCNC(=O)/C=C/c1cccs1 WXVL_AK00476SA0001 [1,0,0,0,1,0|2,0,0]=4 1245 B12R1.51 CCNC(=O)/C=C/c1ccoc1 WXVL_AK00476SA0047 [1,0,0,0,1,0|2,0,0]=4 1246 B12R1.51 CCNC(=O)/C=C/c1ccoc1 WXVL_AK00476SA0047 [1,0,0,0,1,0|2,0,0]=4 1247 B12R1.51 CCNC(=O)/C=C/c1ccsc1 WXVL_AK00476SA0251 [1,0,0,0,1,0|2,0,0]=4 1248 B12R1.51 CCNC(=O)/C=C/c1ccsc1 WXVL_AK00476SA0251 [1,0,0,0,1,0|2,0,0]=4 1249 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [0,0,0,0,2,0|1,0,0]=3 1250 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [0,0,0,0,2,0|1,0,0]=3 1251 B12R1.30 CCCNC(=O)c1ccccn1 WXVL_AK00504SC0058 [0,0,0,0,2,0|2,0,0]=4 1252 B12R1.30 CCCNC(=O)c1ccccn1 WXVL_AK00504SC0058 [0,0,0,0,2,0|2,0,0]=4 1253 B12R1.30 CCCNC(=O)c1cccnc1 WXVL_AK00504SC0061 [0,0,0,0,2,0|2,0,0]=4 1254 B12R1.30 CCCNC(=O)c1cccnc1 WXVL_AK00504SC0061 [0,0,0,0,2,0|2,0,0]=4 1255 B12R1.30 CCCNC(=O)c1ccncc1 WXVL_AK00504SC0062 [0,0,0,0,2,0|2,0,0]=4 1256 B12R1.30 CCCNC(=O)c1ccncc1 WXVL_AK00504SC0062 [0,0,0,0,2,0|2,0,0]=4 1257 B12R1.30 O=C(NCCF)c1ccccc1 WXVL_AK00466SD0001 [0,0,0,0,2,0|2,0,0]=4 1258 B12R1.30 O=C(NCCF)c1ccccc1 WXVL_AK00466SD0001 [0,0,0,0,2,0|2,0,0]=4 1259 B16R1.1465 CCOCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0091 [0,0,0,0,0,2|2,0,0]=4 1260 B16R1.1465 CCOCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0091 [0,0,0,0,0,2|2,0,0]=4 1261 B16R1.1465 CCSCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0002 [0,0,0,0,0,2|2,0,0]=4 1262 B16R1.1465 CCSCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0002 [0,0,0,0,0,2|2,0,0]=4 1263 B16R1.1465 COCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0156 [0,0,0,0,0,2|2,0,0]=4 1264 B16R1.1465 COCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0156 [0,0,0,0,0,2|2,0,0]=4 1265 B16R1.1465 CSCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0361 [0,0,0,0,0,2|2,0,0]=4 1266 B16R1.1465 CSCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0361 [0,0,0,0,0,2|2,0,0]=4 1267 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCCl WXVL_AK00073YV0092 [0,0,0,0,0,2|2,0,0]=4 1268 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCCl WXVL_AK00073YV0092 [0,0,0,0,0,2|2,0,0]=4