0 B15R1.78 C#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK3109SB0115 [0,0,0,0,0,0|1,0,2]=3 1 B15R1.78 C#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK3109SB0115 [0,0,0,0,0,0|1,0,2]=3 2 B15R1.78 C#CCCNC(=O)/C=C/c1cccnc1 WXVL_AK3109SA0193 [0,0,0,0,0,0|2,0,2]=4 3 B15R1.78 C#CCCNC(=O)/C=C/c1cccnc1 WXVL_AK3109SA0193 [0,0,0,0,0,0|2,0,2]=4 4 B15R1.78 C=CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00138SB0115 [0,0,0,0,0,0|1,0,2]=3 5 B15R1.78 C=CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00138SB0115 [0,0,0,0,0,0|1,0,2]=3 6 B15R1.78 C=CCCNC(=O)/C=C/c1cccnc1 WXVL_AK00138SA0193 [0,0,0,0,0,0|2,0,2]=4 7 B15R1.78 C=CCCNC(=O)/C=C/c1cccnc1 WXVL_AK00138SA0193 [0,0,0,0,0,0|2,0,2]=4 8 B15R1.78 CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00588SB0115 [0,0,0,0,0,0|1,0,0]=1 9 B15R1.78 CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00588SB0115 [0,0,0,0,0,0|1,0,0]=1 10 B15R1.78 CCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00588SA0193 [0,0,0,0,0,0|2,0,0]=2 11 B15R1.78 CCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00588SA0193 [0,0,0,0,0,0|2,0,0]=2 12 B15R1.78 CCCCNC(=O)/C=C/c1cnccn1 WXVL_AK00588SA2885 [0,0,0,0,0,0|3,0,0]=3 13 B15R1.78 CCCCNC(=O)/C=C/c1cnccn1 WXVL_AK00588SA2885 [0,0,0,0,0,0|3,0,0]=3 14 B15R1.78 CCCCNC(=O)C#Cc1ccccc1 WXVL_AK00588SB0114 [0,0,0,0,0,0|1,0,2]=3 15 B15R1.78 CCCCNC(=O)C#Cc1ccccc1 WXVL_AK00588SB0114 [0,0,0,0,0,0|1,0,2]=3 16 B15R1.78 CCCCNC(=O)CCc1ccccc1 WXVL_AK00588SB0067 [0,0,0,0,0,0|1,0,2]=3 17 B15R1.78 CCCCNC(=O)CCc1ccccc1 WXVL_AK00588SB0067 [0,0,0,0,0,0|1,0,2]=3 18 B15R1.78 CCCCNC(=O)CCc1ccccn1 WXVL_AK00588SA0316 [0,0,0,0,0,0|2,0,2]=4 19 B15R1.78 CCCCNC(=O)CCc1ccccn1 WXVL_AK00588SA0316 [0,0,0,0,0,0|2,0,2]=4 20 B15R1.78 CCCCNC(=O)CCc1cccnc1 WXVL_AK00588SA0031 [0,0,0,0,0,0|2,0,2]=4 21 B15R1.78 CCCCNC(=O)CCc1cccnc1 WXVL_AK00588SA0031 [0,0,0,0,0,0|2,0,2]=4 22 B15R1.78 CCCCNC(=O)COc1ccccc1 WXVL_AK00588SB0086 [0,0,0,0,0,0|2,0,1]=3 23 B15R1.78 CCCCNC(=O)COc1ccccc1 WXVL_AK00588SB0086 [0,0,0,0,0,0|2,0,1]=3 24 B15R1.78 CCCCNC(=O)COc1cccnc1 WXVL_AK00588SA0051 [0,0,0,0,0,0|3,0,1]=4 25 B15R1.78 CCCCNC(=O)COc1cccnc1 WXVL_AK00588SA0051 [0,0,0,0,0,0|3,0,1]=4 26 B15R1.78 CCCCNC(=O)CSc1ccccc1 WXVL_AK00588SB0113 [0,0,0,0,0,0|2,0,1]=3 27 B15R1.78 CCCCNC(=O)CSc1ccccc1 WXVL_AK00588SB0113 [0,0,0,0,0,0|2,0,1]=3 28 B15R1.78 CCCCNC(=O)CSc1ccncc1 WXVL_AK00588SA0055 [0,0,0,0,0,0|3,0,1]=4 29 B15R1.78 CCCCNC(=O)CSc1ccncc1 WXVL_AK00588SA0055 [0,0,0,0,0,0|3,0,1]=4 30 B15R1.78 CSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00440SB0115 [0,0,0,0,0,0|2,0,0]=2 31 B15R1.78 CSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00440SB0115 [0,0,0,0,0,0|2,0,0]=2 32 B15R1.78 CSCCNC(=O)/C=C/c1cccnc1 WXVL_AK00440SA0193 [0,0,0,0,0,0|3,0,0]=3 33 B15R1.78 CSCCNC(=O)/C=C/c1cccnc1 WXVL_AK00440SA0193 [0,0,0,0,0,0|3,0,0]=3 34 B15R1.78 CSCCNC(=O)/C=C/c1cnccn1 WXVL_AK00440SA2885 [0,0,0,0,0,0|4,0,0]=4 35 B15R1.78 CSCCNC(=O)/C=C/c1cnccn1 WXVL_AK00440SA2885 [0,0,0,0,0,0|4,0,0]=4 36 B15R1.78 CSCCNC(=O)C#Cc1ccccc1 WXVL_AK00440SB0114 [0,0,0,0,0,0|2,0,2]=4 37 B15R1.78 CSCCNC(=O)C#Cc1ccccc1 WXVL_AK00440SB0114 [0,0,0,0,0,0|2,0,2]=4 38 B15R1.78 CSCCNC(=O)CCc1ccccc1 WXVL_AK00440SB0067 [0,0,0,0,0,0|2,0,2]=4 39 B15R1.78 CSCCNC(=O)CCc1ccccc1 WXVL_AK00440SB0067 [0,0,0,0,0,0|2,0,2]=4 40 B15R1.78 CSCCNC(=O)COc1ccccc1 WXVL_AK00440SB0086 [0,0,0,0,0,0|3,0,1]=4 41 B15R1.78 CSCCNC(=O)COc1ccccc1 WXVL_AK00440SB0086 [0,0,0,0,0,0|3,0,1]=4 42 B15R1.78 CSCCNC(=O)CSc1ccccc1 WXVL_AK00440SB0113 [0,0,0,0,0,0|3,0,1]=4 43 B15R1.78 CSCCNC(=O)CSc1ccccc1 WXVL_AK00440SB0113 [0,0,0,0,0,0|3,0,1]=4 44 B15R1.78 N#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK0087SB0115 [0,0,0,0,0,0|2,0,1]=3 45 B15R1.78 N#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK0087SB0115 [0,0,0,0,0,0|2,0,1]=3 46 B15R1.78 N#CCCNC(=O)/C=C/c1cccnc1 WXVL_AK0087SA0193 [0,0,0,0,0,0|3,0,1]=4 47 B15R1.78 N#CCCNC(=O)/C=C/c1cccnc1 WXVL_AK0087SA0193 [0,0,0,0,0,0|3,0,1]=4 48 B15R1.78 O=C(/C=C/c1ccccc1)NCCCO WXVL_AK0073SB0115 [0,0,0,0,0,0|2,0,0]=2 49 B15R1.78 O=C(/C=C/c1ccccc1)NCCCO WXVL_AK0073SB0115 [0,0,0,0,0,0|2,0,0]=2 50 B15R1.78 O=C(/C=C/c1cccnc1)NCCCO WXVL_AK0073SA0193 [0,0,0,0,0,0|3,0,0]=3 51 B15R1.78 O=C(/C=C/c1cccnc1)NCCCO WXVL_AK0073SA0193 [0,0,0,0,0,0|3,0,0]=3 52 B15R1.78 O=C(/C=C/c1cnccn1)NCCCO WXVL_AK0073SA2885 [0,0,0,0,0,0|4,0,0]=4 53 B15R1.78 O=C(/C=C/c1cnccn1)NCCCO WXVL_AK0073SA2885 [0,0,0,0,0,0|4,0,0]=4 54 B15R1.78 O=C(C#Cc1ccccc1)NCCCO WXVL_AK0073SB0114 [0,0,0,0,0,0|2,0,2]=4 55 B15R1.78 O=C(C#Cc1ccccc1)NCCCO WXVL_AK0073SB0114 [0,0,0,0,0,0|2,0,2]=4 56 B15R1.78 O=C(CCCCBr)NCc1ccccc1 WXVL_AK00502SB3153 [0,0,0,0,0,0|3,0,1]=4 57 B15R1.78 O=C(CCCCBr)NCc1ccccc1 WXVL_AK00502SB3153 [0,0,0,0,0,0|3,0,1]=4 58 B15R1.78 O=C(CCCCCl)NCc1ccccc1 WXVL_AK00502SB0379 [0,0,0,0,0,0|3,0,1]=4 59 B15R1.78 O=C(CCCCCl)NCc1ccccc1 WXVL_AK00502SB0379 [0,0,0,0,0,0|3,0,1]=4 60 B15R1.78 O=C(CCc1ccccc1)NCCCO WXVL_AK0073SB0067 [0,0,0,0,0,0|2,0,2]=4 61 B15R1.78 O=C(CCc1ccccc1)NCCCO WXVL_AK0073SB0067 [0,0,0,0,0,0|2,0,2]=4 62 B15R1.78 O=C(COc1ccccc1)NCCCO WXVL_AK0073SB0086 [0,0,0,0,0,0|3,0,1]=4 63 B15R1.78 O=C(COc1ccccc1)NCCCO WXVL_AK0073SB0086 [0,0,0,0,0,0|3,0,1]=4 64 B15R1.78 O=C(CSc1ccccc1)NCCCO WXVL_AK0073SB0113 [0,0,0,0,0,0|3,0,1]=4 65 B15R1.78 O=C(CSc1ccccc1)NCCCO WXVL_AK0073SB0113 [0,0,0,0,0,0|3,0,1]=4 66 B15R1.78 O=C(NCCCCl)NCc1ccccc1 WXVL_AK00502YV0130 [0,0,0,0,0,0|3,0,1]=4 67 B15R1.78 O=C(NCCCCl)NCc1ccccc1 WXVL_AK00502YV0130 [0,0,0,0,0,0|3,0,1]=4 68 B14R1.156 C=CCNC(=O)/C=C/c1ccccc1 WXVL_AK00561SB0115 [1,0,0,0,0,0|1,0,2]=4 69 B14R1.156 C=CCNC(=O)/C=C/c1ccccc1 WXVL_AK00561SB0115 [1,0,0,0,0,0|1,0,2]=4 70 B14R1.156 CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00504SB0115 [1,0,0,0,0,0|1,0,0]=2 71 B14R1.156 CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00504SB0115 [1,0,0,0,0,0|1,0,0]=2 72 B14R1.156 CCCNC(=O)/C=C/c1cccnc1 WXVL_AK00504SA0193 [1,0,0,0,0,0|2,0,0]=3 73 B14R1.156 CCCNC(=O)/C=C/c1cccnc1 WXVL_AK00504SA0193 [1,0,0,0,0,0|2,0,0]=3 74 B14R1.156 CCCNC(=O)/C=C/c1cnccn1 WXVL_AK00504SA2885 [1,0,0,0,0,0|3,0,0]=4 75 B14R1.156 CCCNC(=O)/C=C/c1cnccn1 WXVL_AK00504SA2885 [1,0,0,0,0,0|3,0,0]=4 76 B14R1.156 CCCNC(=O)C#Cc1ccccc1 WXVL_AK00504SB0114 [1,0,0,0,0,0|1,0,2]=4 77 B14R1.156 CCCNC(=O)C#Cc1ccccc1 WXVL_AK00504SB0114 [1,0,0,0,0,0|1,0,2]=4 78 B14R1.156 CCCNC(=O)CCc1ccccc1 WXVL_AK00504SB0067 [1,0,0,0,0,0|1,0,2]=4 79 B14R1.156 CCCNC(=O)CCc1ccccc1 WXVL_AK00504SB0067 [1,0,0,0,0,0|1,0,2]=4 80 B14R1.156 CCCNC(=O)COc1ccccc1 WXVL_AK00504SB0086 [1,0,0,0,0,0|2,0,1]=4 81 B14R1.156 CCCNC(=O)COc1ccccc1 WXVL_AK00504SB0086 [1,0,0,0,0,0|2,0,1]=4 82 B14R1.156 CCCNC(=O)CSc1ccccc1 WXVL_AK00504SB0113 [1,0,0,0,0,0|2,0,1]=4 83 B14R1.156 CCCNC(=O)CSc1ccccc1 WXVL_AK00504SB0113 [1,0,0,0,0,0|2,0,1]=4 84 B14R1.156 CCOCC(=O)NCc1ccccc1 WXVL_AK00502SB0091 [1,0,0,0,0,0|2,0,1]=4 85 B14R1.156 CCOCC(=O)NCc1ccccc1 WXVL_AK00502SB0091 [1,0,0,0,0,0|2,0,1]=4 86 B14R1.156 CCSCC(=O)NCc1ccccc1 WXVL_AK00502SB0002 [1,0,0,0,0,0|2,0,1]=4 87 B14R1.156 CCSCC(=O)NCc1ccccc1 WXVL_AK00502SB0002 [1,0,0,0,0,0|2,0,1]=4 88 B14R1.156 COCCC(=O)NCc1ccccc1 WXVL_AK00502SB0156 [1,0,0,0,0,0|2,0,1]=4 89 B14R1.156 COCCC(=O)NCc1ccccc1 WXVL_AK00502SB0156 [1,0,0,0,0,0|2,0,1]=4 90 B14R1.156 CSCCC(=O)NCc1ccccc1 WXVL_AK00502SB0361 [1,0,0,0,0,0|2,0,1]=4 91 B14R1.156 CSCCC(=O)NCc1ccccc1 WXVL_AK00502SB0361 [1,0,0,0,0,0|2,0,1]=4 92 B14R1.156 N#CCNC(=O)/C=C/c1ccccc1 WXVL_AK0683SB0115 [1,0,0,0,0,0|2,0,1]=4 93 B14R1.156 N#CCNC(=O)/C=C/c1ccccc1 WXVL_AK0683SB0115 [1,0,0,0,0,0|2,0,1]=4 94 B14R1.156 O=C(/C=C/c1ccccc1)NCCF WXVL_AK00466SB0115 [1,0,0,0,0,0|2,0,0]=3 95 B14R1.156 O=C(/C=C/c1ccccc1)NCCF WXVL_AK00466SB0115 [1,0,0,0,0,0|2,0,0]=3 96 B14R1.156 O=C(/C=C/c1cccnc1)NCCF WXVL_AK00466SA0193 [1,0,0,0,0,0|3,0,0]=4 97 B14R1.156 O=C(/C=C/c1cccnc1)NCCF WXVL_AK00466SA0193 [1,0,0,0,0,0|3,0,0]=4 98 B16R1.35 CCCCNC(=O)CC(C)c1ccccc1 WXVL_AK00588SB0419 [0,1,0,0,0,0|1,0,2]=4 99 B16R1.35 CCCCNC(=O)CC(C)c1ccccc1 WXVL_AK00588SB0419 [0,1,0,0,0,0|1,0,2]=4 100 B16R1.35 CCCCNC(=O)CC(O)c1ccccc1 WXVL_AK00588SB2325 [0,1,0,0,0,0|1,0,2]=4 101 B16R1.35 CCCCNC(=O)CC(O)c1ccccc1 WXVL_AK00588SB2325 [0,1,0,0,0,0|1,0,2]=4 102 B16R1.35 CCCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00588YV0027 [0,1,0,0,0,0|2,0,0]=3 103 B16R1.35 CCCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00588YV0027 [0,1,0,0,0,0|2,0,0]=3 104 B16R1.35 CCCCNC(=O)N[C@@H](C)c1ccccc1 WXVL_AK00588YV0029 [0,1,0,0,0,0|2,0,1]=4 105 B16R1.35 CCCCNC(=O)N[C@@H](C)c1ccccc1 WXVL_AK00588YV0029 [0,1,0,0,0,0|2,0,1]=4 106 B16R1.35 CCCCNC(=O)N[C@H](C)c1ccccc1 WXVL_AK00588YV0061 [0,1,0,0,0,0|2,0,1]=4 107 B16R1.35 CCCCNC(=O)N[C@H](C)c1ccccc1 WXVL_AK00588YV0061 [0,1,0,0,0,0|2,0,1]=4 108 B16R1.35 CSCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00440YV0027 [0,1,0,0,0,0|3,0,0]=4 109 B16R1.35 CSCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00440YV0027 [0,1,0,0,0,0|3,0,0]=4 110 B16R1.35 O=C(NCCCO)NC(=O)c1ccccc1 WXVL_AK0073YV0027 [0,1,0,0,0,0|3,0,0]=4 111 B16R1.35 O=C(NCCCO)NC(=O)c1ccccc1 WXVL_AK0073YV0027 [0,1,0,0,0,0|3,0,0]=4 112 B16R1.51 C#CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK3109SB0418 [0,1,0,0,0,0|1,0,2]=4 113 B16R1.51 C#CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK3109SB0418 [0,1,0,0,0,0|1,0,2]=4 114 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK3109SB1122 [0,1,0,0,0,0|1,0,2]=4 115 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK3109SB1122 [0,1,0,0,0,0|1,0,2]=4 116 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK3109SB0060 [0,1,0,0,0,0|1,0,2]=4 117 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK3109SB0060 [0,1,0,0,0,0|1,0,2]=4 118 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK3109SB0119 [0,1,0,0,0,0|1,0,2]=4 119 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK3109SB0119 [0,1,0,0,0,0|1,0,2]=4 120 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK3109SB1186 [0,1,0,0,0,0|1,0,2]=4 121 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK3109SB1186 [0,1,0,0,0,0|1,0,2]=4 122 B16R1.51 C=CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00138SB0418 [0,1,0,0,0,0|1,0,2]=4 123 B16R1.51 C=CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00138SB0418 [0,1,0,0,0,0|1,0,2]=4 124 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00138SB1122 [0,1,0,0,0,0|1,0,2]=4 125 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00138SB1122 [0,1,0,0,0,0|1,0,2]=4 126 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00138SB0060 [0,1,0,0,0,0|1,0,2]=4 127 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00138SB0060 [0,1,0,0,0,0|1,0,2]=4 128 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00138SB0119 [0,1,0,0,0,0|1,0,2]=4 129 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00138SB0119 [0,1,0,0,0,0|1,0,2]=4 130 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00138SB1186 [0,1,0,0,0,0|1,0,2]=4 131 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00138SB1186 [0,1,0,0,0,0|1,0,2]=4 132 B16R1.51 CCCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00588SB0418 [0,1,0,0,0,0|1,0,0]=2 133 B16R1.51 CCCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00588SB0418 [0,1,0,0,0,0|1,0,0]=2 134 B16R1.51 CCCCNC(=O)C#Cc1ccc(cc1)Cl WXVL_AK00588SB3517 [0,1,0,0,0,0|1,0,2]=4 135 B16R1.51 CCCCNC(=O)C#Cc1ccc(cc1)Cl WXVL_AK00588SB3517 [0,1,0,0,0,0|1,0,2]=4 136 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00588SB1122 [0,1,0,0,0,0|1,0,0]=2 137 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00588SB1122 [0,1,0,0,0,0|1,0,0]=2 138 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00588SB0060 [0,1,0,0,0,0|1,0,0]=2 139 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00588SB0060 [0,1,0,0,0,0|1,0,0]=2 140 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00588SB0119 [0,1,0,0,0,0|1,0,0]=2 141 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00588SB0119 [0,1,0,0,0,0|1,0,0]=2 142 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00588SB1186 [0,1,0,0,0,0|1,0,0]=2 143 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00588SB1186 [0,1,0,0,0,0|1,0,0]=2 144 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)Br WXVL_AK00588SB1166 [0,1,0,0,0,0|1,0,2]=4 145 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)Br WXVL_AK00588SB1166 [0,1,0,0,0,0|1,0,2]=4 146 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)C WXVL_AK00588SB0421 [0,1,0,0,0,0|1,0,2]=4 147 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)C WXVL_AK00588SB0421 [0,1,0,0,0,0|1,0,2]=4 148 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)F WXVL_AK00588SB1123 [0,1,0,0,0,0|1,0,2]=4 149 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)F WXVL_AK00588SB1123 [0,1,0,0,0,0|1,0,2]=4 150 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)O WXVL_AK00588SB2324 [0,1,0,0,0,0|1,0,2]=4 151 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)O WXVL_AK00588SB2324 [0,1,0,0,0,0|1,0,2]=4 152 B16R1.51 CCCCNC(=O)COc1ccc(cc1)C WXVL_AK00588SB0138 [0,1,0,0,0,0|2,0,1]=4 153 B16R1.51 CCCCNC(=O)COc1ccc(cc1)C WXVL_AK00588SB0138 [0,1,0,0,0,0|2,0,1]=4 154 B16R1.51 CCCCNC(=O)COc1ccc(cc1)F WXVL_AK00588SB0088 [0,1,0,0,0,0|2,0,1]=4 155 B16R1.51 CCCCNC(=O)COc1ccc(cc1)F WXVL_AK00588SB0088 [0,1,0,0,0,0|2,0,1]=4 156 B16R1.51 CCCCNC(=O)COc1ccc(cc1)O WXVL_AK00588SB3388 [0,1,0,0,0,0|2,0,1]=4 157 B16R1.51 CCCCNC(=O)COc1ccc(cc1)O WXVL_AK00588SB3388 [0,1,0,0,0,0|2,0,1]=4 158 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)C WXVL_AK00588SB0830 [0,1,0,0,0,0|2,0,1]=4 159 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)C WXVL_AK00588SB0830 [0,1,0,0,0,0|2,0,1]=4 160 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)C WXVL_AK00588YV0067 [0,1,0,0,0,0|2,0,1]=4 161 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)C WXVL_AK00588YV0067 [0,1,0,0,0,0|2,0,1]=4 162 B16R1.51 CSCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00440SB0418 [0,1,0,0,0,0|2,0,0]=3 163 B16R1.51 CSCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00440SB0418 [0,1,0,0,0,0|2,0,0]=3 164 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00440SB1122 [0,1,0,0,0,0|2,0,0]=3 165 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00440SB1122 [0,1,0,0,0,0|2,0,0]=3 166 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00440SB0060 [0,1,0,0,0,0|2,0,0]=3 167 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00440SB0060 [0,1,0,0,0,0|2,0,0]=3 168 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00440SB0119 [0,1,0,0,0,0|2,0,0]=3 169 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00440SB0119 [0,1,0,0,0,0|2,0,0]=3 170 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00440SB1186 [0,1,0,0,0,0|2,0,0]=3 171 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00440SB1186 [0,1,0,0,0,0|2,0,0]=3 172 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCC#N WXVL_AK0087SB0060 [0,1,0,0,0,0|2,0,1]=4 173 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCC#N WXVL_AK0087SB0060 [0,1,0,0,0,0|2,0,1]=4 174 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCCO WXVL_AK0073SB0060 [0,1,0,0,0,0|2,0,0]=3 175 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCCO WXVL_AK0073SB0060 [0,1,0,0,0,0|2,0,0]=3 176 B16R1.51 N#CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0087SB0418 [0,1,0,0,0,0|2,0,1]=4 177 B16R1.51 N#CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0087SB0418 [0,1,0,0,0,0|2,0,1]=4 178 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0087SB1122 [0,1,0,0,0,0|2,0,1]=4 179 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0087SB1122 [0,1,0,0,0,0|2,0,1]=4 180 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0087SB0119 [0,1,0,0,0,0|2,0,1]=4 181 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0087SB0119 [0,1,0,0,0,0|2,0,1]=4 182 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0087SB1186 [0,1,0,0,0,0|2,0,1]=4 183 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0087SB1186 [0,1,0,0,0,0|2,0,1]=4 184 B16R1.51 O=C(/C=C/c1ccc(cc1)O)NCCCO WXVL_AK0073SB0418 [0,1,0,0,0,0|2,0,0]=3 185 B16R1.51 O=C(/C=C/c1ccc(cc1)O)NCCCO WXVL_AK0073SB0418 [0,1,0,0,0,0|2,0,0]=3 186 B16R1.51 O=C(C=Cc1ccc(cc1)Br)NCCCO WXVL_AK0073SB1122 [0,1,0,0,0,0|2,0,0]=3 187 B16R1.51 O=C(C=Cc1ccc(cc1)Br)NCCCO WXVL_AK0073SB1122 [0,1,0,0,0,0|2,0,0]=3 188 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NCCCO WXVL_AK0073SB0119 [0,1,0,0,0,0|2,0,0]=3 189 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NCCCO WXVL_AK0073SB0119 [0,1,0,0,0,0|2,0,0]=3 190 B16R1.51 O=C(C=Cc1ccc(cc1)F)NCCCO WXVL_AK0073SB1186 [0,1,0,0,0,0|2,0,0]=3 191 B16R1.51 O=C(C=Cc1ccc(cc1)F)NCCCO WXVL_AK0073SB1186 [0,1,0,0,0,0|2,0,0]=3 192 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK3109SB1601 [0,1,0,0,0,0|1,0,2]=4 193 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK3109SB1601 [0,1,0,0,0,0|1,0,2]=4 194 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK3109SB0417 [0,1,0,0,0,0|1,0,2]=4 195 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK3109SB0417 [0,1,0,0,0,0|1,0,2]=4 196 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00138SB1601 [0,1,0,0,0,0|1,0,2]=4 197 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00138SB1601 [0,1,0,0,0,0|1,0,2]=4 198 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00138SB0417 [0,1,0,0,0,0|1,0,2]=4 199 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00138SB0417 [0,1,0,0,0,0|1,0,2]=4 200 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00588SB1601 [0,1,0,0,0,0|1,0,0]=2 201 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00588SB1601 [0,1,0,0,0,0|1,0,0]=2 202 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00588SB0417 [0,1,0,0,0,0|1,0,0]=2 203 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00588SB0417 [0,1,0,0,0,0|1,0,0]=2 204 B16R1.52 CCCCNC(=O)CCc1cccc(c1)Br WXVL_AK00588SB0278 [0,1,0,0,0,0|1,0,2]=4 205 B16R1.52 CCCCNC(=O)CCc1cccc(c1)Br WXVL_AK00588SB0278 [0,1,0,0,0,0|1,0,2]=4 206 B16R1.52 CCCCNC(=O)CCc1cccc(c1)C WXVL_AK00588SB1394 [0,1,0,0,0,0|1,0,2]=4 207 B16R1.52 CCCCNC(=O)CCc1cccc(c1)C WXVL_AK00588SB1394 [0,1,0,0,0,0|1,0,2]=4 208 B16R1.52 CCCCNC(=O)CCc1cccc(c1)O WXVL_AK00588SB3088 [0,1,0,0,0,0|1,0,2]=4 209 B16R1.52 CCCCNC(=O)CCc1cccc(c1)O WXVL_AK00588SB3088 [0,1,0,0,0,0|1,0,2]=4 210 B16R1.52 CCCCNC(=O)COc1cccc(c1)Cl WXVL_AK00588SB0493 [0,1,0,0,0,0|2,0,1]=4 211 B16R1.52 CCCCNC(=O)COc1cccc(c1)Cl WXVL_AK00588SB0493 [0,1,0,0,0,0|2,0,1]=4 212 B16R1.52 CCCCNC(=O)NCc1cccc(c1)C WXVL_AK00588YV0178 [0,1,0,0,0,0|2,0,1]=4 213 B16R1.52 CCCCNC(=O)NCc1cccc(c1)C WXVL_AK00588YV0178 [0,1,0,0,0,0|2,0,1]=4 214 B16R1.52 CCCCNC(=O)NCc1cccc(c1)F WXVL_AK00588YV0073 [0,1,0,0,0,0|2,0,1]=4 215 B16R1.52 CCCCNC(=O)NCc1cccc(c1)F WXVL_AK00588YV0073 [0,1,0,0,0,0|2,0,1]=4 216 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00440SB1601 [0,1,0,0,0,0|2,0,0]=3 217 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00440SB1601 [0,1,0,0,0,0|2,0,0]=3 218 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00440SB0417 [0,1,0,0,0,0|2,0,0]=3 219 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00440SB0417 [0,1,0,0,0,0|2,0,0]=3 220 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0087SB1601 [0,1,0,0,0,0|2,0,1]=4 221 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0087SB1601 [0,1,0,0,0,0|2,0,1]=4 222 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK0087SB0417 [0,1,0,0,0,0|2,0,1]=4 223 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK0087SB0417 [0,1,0,0,0,0|2,0,1]=4 224 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NCCCO WXVL_AK0073SB1601 [0,1,0,0,0,0|2,0,0]=3 225 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NCCCO WXVL_AK0073SB1601 [0,1,0,0,0,0|2,0,0]=3 226 B16R1.52 O=C(C=Cc1cccc(c1)O)NCCCO WXVL_AK0073SB0417 [0,1,0,0,0,0|2,0,0]=3 227 B16R1.52 O=C(C=Cc1cccc(c1)O)NCCCO WXVL_AK0073SB0417 [0,1,0,0,0,0|2,0,0]=3 228 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 WXVL_AK00502SB1301 [0,1,0,0,0,0|2,0,1]=4 229 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 WXVL_AK00502SB1301 [0,1,0,0,0,0|2,0,1]=4 230 B16R1.608 CC(C)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0068SB0115 [0,1,0,0,0,0|1,0,0]=2 231 B16R1.608 CC(C)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0068SB0115 [0,1,0,0,0,0|1,0,0]=2 232 B16R1.608 CC(C)CCNC(=O)/C=C/c1cccnc1 WXVL_AK0068SA0193 [0,1,0,0,0,0|2,0,0]=3 233 B16R1.608 CC(C)CCNC(=O)/C=C/c1cccnc1 WXVL_AK0068SA0193 [0,1,0,0,0,0|2,0,0]=3 234 B16R1.608 CC(C)CCNC(=O)/C=C/c1cnccn1 WXVL_AK0068SA2885 [0,1,0,0,0,0|3,0,0]=4 235 B16R1.608 CC(C)CCNC(=O)/C=C/c1cnccn1 WXVL_AK0068SA2885 [0,1,0,0,0,0|3,0,0]=4 236 B16R1.608 CC(C)CCNC(=O)C#Cc1ccccc1 WXVL_AK0068SB0114 [0,1,0,0,0,0|1,0,2]=4 237 B16R1.608 CC(C)CCNC(=O)C#Cc1ccccc1 WXVL_AK0068SB0114 [0,1,0,0,0,0|1,0,2]=4 238 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 WXVL_AK0068SB0067 [0,1,0,0,0,0|1,0,2]=4 239 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 WXVL_AK0068SB0067 [0,1,0,0,0,0|1,0,2]=4 240 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 WXVL_AK0068SB0086 [0,1,0,0,0,0|2,0,1]=4 241 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 WXVL_AK0068SB0086 [0,1,0,0,0,0|2,0,1]=4 242 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 WXVL_AK0068SB0113 [0,1,0,0,0,0|2,0,1]=4 243 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 WXVL_AK0068SB0113 [0,1,0,0,0,0|2,0,1]=4 244 B16R1.608 CN(C)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0058SB0115 [0,1,0,0,0,0|2,0,0]=3 245 B16R1.608 CN(C)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0058SB0115 [0,1,0,0,0,0|2,0,0]=3 246 B16R1.608 CN(C)CCNC(=O)/C=C/c1cccnc1 WXVL_AK0058SA0193 [0,1,0,0,0,0|3,0,0]=4 247 B16R1.608 CN(C)CCNC(=O)/C=C/c1cccnc1 WXVL_AK0058SA0193 [0,1,0,0,0,0|3,0,0]=4 248 B16R1.608 NC(=O)CCNC(=O)/C=C/c1ccccc1 WXVL_AK00443SB0115 [0,1,0,0,0,0|2,0,1]=4 249 B16R1.608 NC(=O)CCNC(=O)/C=C/c1ccccc1 WXVL_AK00443SB0115 [0,1,0,0,0,0|2,0,1]=4 250 B16R1.688 C#CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00218SB0115 [0,1,0,0,0,0|1,0,1]=3 251 B16R1.688 C#CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00218SB0115 [0,1,0,0,0,0|1,0,1]=3 252 B16R1.688 C#CCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00218SA0193 [0,1,0,0,0,0|2,0,1]=4 253 B16R1.688 C#CCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00218SA0193 [0,1,0,0,0,0|2,0,1]=4 254 B16R1.688 CCCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0076SB0115 [0,1,0,0,0,0|1,0,0]=2 255 B16R1.688 CCCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0076SB0115 [0,1,0,0,0,0|1,0,0]=2 256 B16R1.688 CCCCCNC(=O)/C=C/c1cccnc1 WXVL_AK0076SA0193 [0,1,0,0,0,0|2,0,0]=3 257 B16R1.688 CCCCCNC(=O)/C=C/c1cccnc1 WXVL_AK0076SA0193 [0,1,0,0,0,0|2,0,0]=3 258 B16R1.688 CCCCCNC(=O)/C=C/c1cnccn1 WXVL_AK0076SA2885 [0,1,0,0,0,0|3,0,0]=4 259 B16R1.688 CCCCCNC(=O)/C=C/c1cnccn1 WXVL_AK0076SA2885 [0,1,0,0,0,0|3,0,0]=4 260 B16R1.688 CCCCCNC(=O)C#Cc1ccccc1 WXVL_AK0076SB0114 [0,1,0,0,0,0|1,0,2]=4 261 B16R1.688 CCCCCNC(=O)C#Cc1ccccc1 WXVL_AK0076SB0114 [0,1,0,0,0,0|1,0,2]=4 262 B16R1.688 CCCCCNC(=O)CCc1ccccc1 WXVL_AK0076SB0067 [0,1,0,0,0,0|1,0,2]=4 263 B16R1.688 CCCCCNC(=O)CCc1ccccc1 WXVL_AK0076SB0067 [0,1,0,0,0,0|1,0,2]=4 264 B16R1.688 CCCCCNC(=O)COc1ccccc1 WXVL_AK0076SB0086 [0,1,0,0,0,0|2,0,1]=4 265 B16R1.688 CCCCCNC(=O)COc1ccccc1 WXVL_AK0076SB0086 [0,1,0,0,0,0|2,0,1]=4 266 B16R1.688 CCCCCNC(=O)CSc1ccccc1 WXVL_AK0076SB0113 [0,1,0,0,0,0|2,0,1]=4 267 B16R1.688 CCCCCNC(=O)CSc1ccccc1 WXVL_AK0076SB0113 [0,1,0,0,0,0|2,0,1]=4 268 B16R1.688 CCSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00494SB0115 [0,1,0,0,0,0|1,0,0]=2 269 B16R1.688 CCSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00494SB0115 [0,1,0,0,0,0|1,0,0]=2 270 B16R1.688 CCSCCNC(=O)/C=C/c1cccnc1 WXVL_AK00494SA0193 [0,1,0,0,0,0|2,0,0]=3 271 B16R1.688 CCSCCNC(=O)/C=C/c1cccnc1 WXVL_AK00494SA0193 [0,1,0,0,0,0|2,0,0]=3 272 B16R1.688 CCSCCNC(=O)/C=C/c1cnccn1 WXVL_AK00494SA2885 [0,1,0,0,0,0|3,0,0]=4 273 B16R1.688 CCSCCNC(=O)/C=C/c1cnccn1 WXVL_AK00494SA2885 [0,1,0,0,0,0|3,0,0]=4 274 B16R1.688 CCSCCNC(=O)C#Cc1ccccc1 WXVL_AK00494SB0114 [0,1,0,0,0,0|1,0,2]=4 275 B16R1.688 CCSCCNC(=O)C#Cc1ccccc1 WXVL_AK00494SB0114 [0,1,0,0,0,0|1,0,2]=4 276 B16R1.688 CCSCCNC(=O)CCc1ccccc1 WXVL_AK00494SB0067 [0,1,0,0,0,0|1,0,2]=4 277 B16R1.688 CCSCCNC(=O)CCc1ccccc1 WXVL_AK00494SB0067 [0,1,0,0,0,0|1,0,2]=4 278 B16R1.688 CCSCCNC(=O)COc1ccccc1 WXVL_AK00494SB0086 [0,1,0,0,0,0|2,0,1]=4 279 B16R1.688 CCSCCNC(=O)COc1ccccc1 WXVL_AK00494SB0086 [0,1,0,0,0,0|2,0,1]=4 280 B16R1.688 CCSCCNC(=O)CSc1ccccc1 WXVL_AK00494SB0113 [0,1,0,0,0,0|2,0,1]=4 281 B16R1.688 CCSCCNC(=O)CSc1ccccc1 WXVL_AK00494SB0113 [0,1,0,0,0,0|2,0,1]=4 282 B16R1.688 COCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00637SB0115 [0,1,0,0,0,0|1,0,0]=2 283 B16R1.688 COCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00637SB0115 [0,1,0,0,0,0|1,0,0]=2 284 B16R1.688 COCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00637SA0193 [0,1,0,0,0,0|2,0,0]=3 285 B16R1.688 COCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00637SA0193 [0,1,0,0,0,0|2,0,0]=3 286 B16R1.688 COCCCNC(=O)/C=C/c1cnccn1 WXVL_AK00637SA2885 [0,1,0,0,0,0|3,0,0]=4 287 B16R1.688 COCCCNC(=O)/C=C/c1cnccn1 WXVL_AK00637SA2885 [0,1,0,0,0,0|3,0,0]=4 288 B16R1.688 COCCCNC(=O)C#Cc1ccccc1 WXVL_AK00637SB0114 [0,1,0,0,0,0|1,0,2]=4 289 B16R1.688 COCCCNC(=O)C#Cc1ccccc1 WXVL_AK00637SB0114 [0,1,0,0,0,0|1,0,2]=4 290 B16R1.688 COCCCNC(=O)CCc1ccccc1 WXVL_AK00637SB0067 [0,1,0,0,0,0|1,0,2]=4 291 B16R1.688 COCCCNC(=O)CCc1ccccc1 WXVL_AK00637SB0067 [0,1,0,0,0,0|1,0,2]=4 292 B16R1.688 COCCCNC(=O)COc1ccccc1 WXVL_AK00637SB0086 [0,1,0,0,0,0|2,0,1]=4 293 B16R1.688 COCCCNC(=O)COc1ccccc1 WXVL_AK00637SB0086 [0,1,0,0,0,0|2,0,1]=4 294 B16R1.688 COCCCNC(=O)CSc1ccccc1 WXVL_AK00637SB0113 [0,1,0,0,0,0|2,0,1]=4 295 B16R1.688 COCCCNC(=O)CSc1ccccc1 WXVL_AK00637SB0113 [0,1,0,0,0,0|2,0,1]=4 296 B16R1.688 COCCOCC(=O)NCc1ccccc1 WXVL_AK00502SB0159 [0,1,0,0,0,0|2,0,1]=4 297 B16R1.688 COCCOCC(=O)NCc1ccccc1 WXVL_AK00502SB0159 [0,1,0,0,0,0|2,0,1]=4 298 B16R1.688 CSCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0965SB0115 [0,1,0,0,0,0|1,0,0]=2 299 B16R1.688 CSCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0965SB0115 [0,1,0,0,0,0|1,0,0]=2 300 B16R1.688 CSCCCNC(=O)/C=C/c1cccnc1 WXVL_AK0965SA0193 [0,1,0,0,0,0|2,0,0]=3 301 B16R1.688 CSCCCNC(=O)/C=C/c1cccnc1 WXVL_AK0965SA0193 [0,1,0,0,0,0|2,0,0]=3 302 B16R1.688 CSCCCNC(=O)/C=C/c1cnccn1 WXVL_AK0965SA2885 [0,1,0,0,0,0|3,0,0]=4 303 B16R1.688 CSCCCNC(=O)/C=C/c1cnccn1 WXVL_AK0965SA2885 [0,1,0,0,0,0|3,0,0]=4 304 B16R1.688 CSCCCNC(=O)C#Cc1ccccc1 WXVL_AK0965SB0114 [0,1,0,0,0,0|1,0,2]=4 305 B16R1.688 CSCCCNC(=O)C#Cc1ccccc1 WXVL_AK0965SB0114 [0,1,0,0,0,0|1,0,2]=4 306 B16R1.688 CSCCCNC(=O)CCc1ccccc1 WXVL_AK0965SB0067 [0,1,0,0,0,0|1,0,2]=4 307 B16R1.688 CSCCCNC(=O)CCc1ccccc1 WXVL_AK0965SB0067 [0,1,0,0,0,0|1,0,2]=4 308 B16R1.688 CSCCCNC(=O)COc1ccccc1 WXVL_AK0965SB0086 [0,1,0,0,0,0|2,0,1]=4 309 B16R1.688 CSCCCNC(=O)COc1ccccc1 WXVL_AK0965SB0086 [0,1,0,0,0,0|2,0,1]=4 310 B16R1.688 CSCCCNC(=O)CSc1ccccc1 WXVL_AK0965SB0113 [0,1,0,0,0,0|2,0,1]=4 311 B16R1.688 CSCCCNC(=O)CSc1ccccc1 WXVL_AK0965SB0113 [0,1,0,0,0,0|2,0,1]=4 312 B16R1.688 O=C(/C=C/c1ccccc1)NCCCCO WXVL_AK0075SB0115 [0,1,0,0,0,0|1,0,0]=2 313 B16R1.688 O=C(/C=C/c1ccccc1)NCCCCO WXVL_AK0075SB0115 [0,1,0,0,0,0|1,0,0]=2 314 B16R1.688 O=C(/C=C/c1cccnc1)NCCCCO WXVL_AK0075SA0193 [0,1,0,0,0,0|2,0,0]=3 315 B16R1.688 O=C(/C=C/c1cccnc1)NCCCCO WXVL_AK0075SA0193 [0,1,0,0,0,0|2,0,0]=3 316 B16R1.688 O=C(/C=C/c1cnccn1)NCCCCO WXVL_AK0075SA2885 [0,1,0,0,0,0|3,0,0]=4 317 B16R1.688 O=C(/C=C/c1cnccn1)NCCCCO WXVL_AK0075SA2885 [0,1,0,0,0,0|3,0,0]=4 318 B16R1.688 O=C(C#Cc1ccccc1)NCCCCO WXVL_AK0075SB0114 [0,1,0,0,0,0|1,0,2]=4 319 B16R1.688 O=C(C#Cc1ccccc1)NCCCCO WXVL_AK0075SB0114 [0,1,0,0,0,0|1,0,2]=4 320 B16R1.688 O=C(CCCCCBr)NCc1ccccc1 WXVL_AK00502SB2192 [0,1,0,0,0,0|2,0,1]=4 321 B16R1.688 O=C(CCCCCBr)NCc1ccccc1 WXVL_AK00502SB2192 [0,1,0,0,0,0|2,0,1]=4 322 B16R1.688 O=C(CCCCCO)NCc1ccccc1 WXVL_AK00502SB2973 [0,1,0,0,0,0|2,0,1]=4 323 B16R1.688 O=C(CCCCCO)NCc1ccccc1 WXVL_AK00502SB2973 [0,1,0,0,0,0|2,0,1]=4 324 B16R1.688 O=C(CCc1ccccc1)NCCCCO WXVL_AK0075SB0067 [0,1,0,0,0,0|1,0,2]=4 325 B16R1.688 O=C(CCc1ccccc1)NCCCCO WXVL_AK0075SB0067 [0,1,0,0,0,0|1,0,2]=4 326 B16R1.688 O=C(COc1ccccc1)NCCCCO WXVL_AK0075SB0086 [0,1,0,0,0,0|2,0,1]=4 327 B16R1.688 O=C(COc1ccccc1)NCCCCO WXVL_AK0075SB0086 [0,1,0,0,0,0|2,0,1]=4 328 B16R1.688 O=C(CSc1ccccc1)NCCCCO WXVL_AK0075SB0113 [0,1,0,0,0,0|2,0,1]=4 329 B16R1.688 O=C(CSc1ccccc1)NCCCCO WXVL_AK0075SB0113 [0,1,0,0,0,0|2,0,1]=4 330 B16R1.1216 C/C(=C\c1cccnc1)/C(=O)NCCCO WXVL_AK0073SA1933 [0,1,0,0,0,0|3,0,0]=4 331 B16R1.1216 C/C(=C\c1cccnc1)/C(=O)NCCCO WXVL_AK0073SA1933 [0,1,0,0,0,0|3,0,0]=4 332 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCC WXVL_AK00588SB0413 [0,1,0,0,0,0|1,0,1]=3 333 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCC WXVL_AK00588SB0413 [0,1,0,0,0,0|1,0,1]=3 334 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCO WXVL_AK0073SB0413 [0,1,0,0,0,0|2,0,1]=4 335 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCO WXVL_AK0073SB0413 [0,1,0,0,0,0|2,0,1]=4 336 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCSC WXVL_AK00440SB0413 [0,1,0,0,0,0|2,0,1]=4 337 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCSC WXVL_AK00440SB0413 [0,1,0,0,0,0|2,0,1]=4 338 B16R1.1216 CCCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00588SA1933 [0,1,0,0,0,0|2,0,0]=3 339 B16R1.1216 CCCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00588SA1933 [0,1,0,0,0,0|2,0,0]=3 340 B16R1.1216 CCCCNC(=O)C(C)Cc1ccccc1 WXVL_AK00588SB3205 [0,1,0,0,0,0|1,0,2]=4 341 B16R1.1216 CCCCNC(=O)C(C)Cc1ccccc1 WXVL_AK00588SB3205 [0,1,0,0,0,0|1,0,2]=4 342 B16R1.1216 CCCCNC(=O)C(C)Oc1ccccc1 WXVL_AK00588SB0426 [0,1,0,0,0,0|2,0,1]=4 343 B16R1.1216 CCCCNC(=O)C(C)Oc1ccccc1 WXVL_AK00588SB0426 [0,1,0,0,0,0|2,0,1]=4 344 B16R1.1216 CCCCNC(=O)C(C)Sc1ccccc1 WXVL_AK00588SB9992 [0,1,0,0,0,0|2,0,1]=4 345 B16R1.1216 CCCCNC(=O)C(C)Sc1ccccc1 WXVL_AK00588SB9992 [0,1,0,0,0,0|2,0,1]=4 346 B16R1.1216 CCCCNC(=O)[C@@H](C)Oc1ccccc1 WXVL_AK00588SB5803 [0,1,0,0,0,0|2,0,1]=4 347 B16R1.1216 CCCCNC(=O)[C@@H](C)Oc1ccccc1 WXVL_AK00588SB5803 [0,1,0,0,0,0|2,0,1]=4 348 B16R1.1216 CSCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00440SA1933 [0,1,0,0,0,0|3,0,0]=4 349 B16R1.1216 CSCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00440SA1933 [0,1,0,0,0,0|3,0,0]=4 350 B16R1.1343 CNC(=O)CNC(=O)/C=C/c1ccccc1 WXVL_AK1222SB0115 [0,1,0,0,0,0|2,0,1]=4 351 B16R1.1343 CNC(=O)CNC(=O)/C=C/c1ccccc1 WXVL_AK1222SB0115 [0,1,0,0,0,0|2,0,1]=4 352 B16R1.1343 CO[C@H](C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00704SB0115 [0,1,0,0,0,0|2,0,0]=3 353 B16R1.1343 CO[C@H](C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00704SB0115 [0,1,0,0,0,0|2,0,0]=3 354 B16R1.1343 CO[C@H](C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00704SA0193 [0,1,0,0,0,0|3,0,0]=4 355 B16R1.1343 CO[C@H](C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00704SA0193 [0,1,0,0,0,0|3,0,0]=4 356 B16R1.1343 O=C(/C=C/c1ccccc1)NC[C@@H](F)CO WXVL_AK00590SB0115 [0,1,0,0,0,0|2,0,0]=3 357 B16R1.1343 O=C(/C=C/c1ccccc1)NC[C@@H](F)CO WXVL_AK00590SB0115 [0,1,0,0,0,0|2,0,0]=3 358 B16R1.1343 O=C(/C=C/c1ccccc1)NC[C@H](O)CO WXVL_AK00483SB0115 [0,1,0,0,0,0|2,0,0]=3 359 B16R1.1343 O=C(/C=C/c1ccccc1)NC[C@H](O)CO WXVL_AK00483SB0115 [0,1,0,0,0,0|2,0,0]=3 360 B16R1.1343 O=C(/C=C/c1cccnc1)NC[C@@H](F)CO WXVL_AK00590SA0193 [0,1,0,0,0,0|3,0,0]=4 361 B16R1.1343 O=C(/C=C/c1cccnc1)NC[C@@H](F)CO WXVL_AK00590SA0193 [0,1,0,0,0,0|3,0,0]=4 362 B16R1.1343 O=C(/C=C/c1cccnc1)NC[C@H](O)CO WXVL_AK00483SA0193 [0,1,0,0,0,0|3,0,0]=4 363 B16R1.1343 O=C(/C=C/c1cccnc1)NC[C@H](O)CO WXVL_AK00483SA0193 [0,1,0,0,0,0|3,0,0]=4 364 B16R1.1516 CCCCC(O)C(=O)NCc1ccccc1 WXVL_AK00502SB3429 [0,1,0,0,0,0|2,0,1]=4 365 B16R1.1516 CCCCC(O)C(=O)NCc1ccccc1 WXVL_AK00502SB3429 [0,1,0,0,0,0|2,0,1]=4 366 B16R1.1516 COCCN(C)C(=O)/C=C/c1ccccc1 WXVL_AN0085SB0115 [0,1,0,0,0,0|2,0,0]=3 367 B16R1.1516 COCCN(C)C(=O)/C=C/c1ccccc1 WXVL_AN0085SB0115 [0,1,0,0,0,0|2,0,0]=3 368 B16R1.1516 COCCN(C)C(=O)/C=C/c1cccnc1 WXVL_AN0085SA0193 [0,1,0,0,0,0|3,0,0]=4 369 B16R1.1516 COCCN(C)C(=O)/C=C/c1cccnc1 WXVL_AN0085SA0193 [0,1,0,0,0,0|3,0,0]=4 370 B16R1.1570 CC(CCO)NC(=O)/C=C/c1ccccc1 WXVL_AK1288SB0115 [0,1,0,0,0,0|2,0,0]=3 371 B16R1.1570 CC(CCO)NC(=O)/C=C/c1ccccc1 WXVL_AK1288SB0115 [0,1,0,0,0,0|2,0,0]=3 372 B16R1.1570 CC(CCO)NC(=O)/C=C/c1cccnc1 WXVL_AK1288SA0193 [0,1,0,0,0,0|3,0,0]=4 373 B16R1.1570 CC(CCO)NC(=O)/C=C/c1cccnc1 WXVL_AK1288SA0193 [0,1,0,0,0,0|3,0,0]=4 374 B16R1.1570 CCC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00682SB0115 [0,1,0,0,0,0|1,0,0]=2 375 B16R1.1570 CCC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00682SB0115 [0,1,0,0,0,0|1,0,0]=2 376 B16R1.1570 CCC[C@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00682SA0193 [0,1,0,0,0,0|2,0,0]=3 377 B16R1.1570 CCC[C@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00682SA0193 [0,1,0,0,0,0|2,0,0]=3 378 B16R1.1570 CCC[C@H](C)NC(=O)/C=C/c1cnccn1 WXVL_AK00682SA2885 [0,1,0,0,0,0|3,0,0]=4 379 B16R1.1570 CCC[C@H](C)NC(=O)/C=C/c1cnccn1 WXVL_AK00682SA2885 [0,1,0,0,0,0|3,0,0]=4 380 B16R1.1570 CCC[C@H](C)NC(=O)C#Cc1ccccc1 WXVL_AK00682SB0114 [0,1,0,0,0,0|1,0,2]=4 381 B16R1.1570 CCC[C@H](C)NC(=O)C#Cc1ccccc1 WXVL_AK00682SB0114 [0,1,0,0,0,0|1,0,2]=4 382 B16R1.1570 CCC[C@H](C)NC(=O)CCc1ccccc1 WXVL_AK00682SB0067 [0,1,0,0,0,0|1,0,2]=4 383 B16R1.1570 CCC[C@H](C)NC(=O)CCc1ccccc1 WXVL_AK00682SB0067 [0,1,0,0,0,0|1,0,2]=4 384 B16R1.1570 CCC[C@H](C)NC(=O)COc1ccccc1 WXVL_AK00682SB0086 [0,1,0,0,0,0|2,0,1]=4 385 B16R1.1570 CCC[C@H](C)NC(=O)COc1ccccc1 WXVL_AK00682SB0086 [0,1,0,0,0,0|2,0,1]=4 386 B16R1.1570 CCC[C@H](C)NC(=O)CSc1ccccc1 WXVL_AK00682SB0113 [0,1,0,0,0,0|2,0,1]=4 387 B16R1.1570 CCC[C@H](C)NC(=O)CSc1ccccc1 WXVL_AK00682SB0113 [0,1,0,0,0,0|2,0,1]=4 388 B16R1.1570 COC[C@@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00613SB0115 [0,1,0,0,0,0|2,0,0]=3 389 B16R1.1570 COC[C@@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00613SB0115 [0,1,0,0,0,0|2,0,0]=3 390 B16R1.1570 COC[C@@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00613SA0193 [0,1,0,0,0,0|3,0,0]=4 391 B16R1.1570 COC[C@@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00613SA0193 [0,1,0,0,0,0|3,0,0]=4 392 B16R1.1570 COC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK0137SB0115 [0,1,0,0,0,0|2,0,0]=3 393 B16R1.1570 COC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK0137SB0115 [0,1,0,0,0,0|2,0,0]=3 394 B16R1.1570 COC[C@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK0137SA0193 [0,1,0,0,0,0|3,0,0]=4 395 B16R1.1570 COC[C@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK0137SA0193 [0,1,0,0,0,0|3,0,0]=4 396 B16R1.1570 C[C@@H](CC#N)NC(=O)/C=C/c1ccccc1 WXVL_AK00595SB0115 [0,1,0,0,0,0|2,0,1]=4 397 B16R1.1570 C[C@@H](CC#N)NC(=O)/C=C/c1ccccc1 WXVL_AK00595SB0115 [0,1,0,0,0,0|2,0,1]=4 398 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1Br WXVL_AK3109SB3065 [0,1,0,0,0,0|1,0,2]=4 399 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1Br WXVL_AK3109SB3065 [0,1,0,0,0,0|1,0,2]=4 400 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Br WXVL_AK00138SB3065 [0,1,0,0,0,0|1,0,2]=4 401 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Br WXVL_AK00138SB3065 [0,1,0,0,0,0|1,0,2]=4 402 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br WXVL_AK00588SB3065 [0,1,0,0,0,0|1,0,0]=2 403 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br WXVL_AK00588SB3065 [0,1,0,0,0,0|1,0,0]=2 404 B16R1.1696 CCCCNC(=O)CCc1ccccc1Br WXVL_AK00588SB1278 [0,1,0,0,0,0|1,0,2]=4 405 B16R1.1696 CCCCNC(=O)CCc1ccccc1Br WXVL_AK00588SB1278 [0,1,0,0,0,0|1,0,2]=4 406 B16R1.1696 CCCCNC(=O)CCc1ccccc1C WXVL_AK00588SB0422 [0,1,0,0,0,0|1,0,2]=4 407 B16R1.1696 CCCCNC(=O)CCc1ccccc1C WXVL_AK00588SB0422 [0,1,0,0,0,0|1,0,2]=4 408 B16R1.1696 CCCCNC(=O)CCc1ccccc1Cl WXVL_AK00588SB0140 [0,1,0,0,0,0|1,0,2]=4 409 B16R1.1696 CCCCNC(=O)CCc1ccccc1Cl WXVL_AK00588SB0140 [0,1,0,0,0,0|1,0,2]=4 410 B16R1.1696 CCCCNC(=O)CCc1ccccc1F WXVL_AK00588SB0008 [0,1,0,0,0,0|1,0,2]=4 411 B16R1.1696 CCCCNC(=O)CCc1ccccc1F WXVL_AK00588SB0008 [0,1,0,0,0,0|1,0,2]=4 412 B16R1.1696 CCCCNC(=O)COc1ccccc1C WXVL_AK00588SB0136 [0,1,0,0,0,0|2,0,1]=4 413 B16R1.1696 CCCCNC(=O)COc1ccccc1C WXVL_AK00588SB0136 [0,1,0,0,0,0|2,0,1]=4 414 B16R1.1696 CCCCNC(=O)COc1ccccc1F WXVL_AK00588SB0441 [0,1,0,0,0,0|2,0,1]=4 415 B16R1.1696 CCCCNC(=O)COc1ccccc1F WXVL_AK00588SB0441 [0,1,0,0,0,0|2,0,1]=4 416 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Br WXVL_AK00440SB3065 [0,1,0,0,0,0|2,0,0]=3 417 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Br WXVL_AK00440SB3065 [0,1,0,0,0,0|2,0,0]=3 418 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1Br WXVL_AK0087SB3065 [0,1,0,0,0,0|2,0,1]=4 419 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1Br WXVL_AK0087SB3065 [0,1,0,0,0,0|2,0,1]=4 420 B16R1.1696 O=C(C=Cc1ccccc1Br)NCCCO WXVL_AK0073SB3065 [0,1,0,0,0,0|2,0,0]=3 421 B16R1.1696 O=C(C=Cc1ccccc1Br)NCCCO WXVL_AK0073SB3065 [0,1,0,0,0,0|2,0,0]=3 422 B16R1.20527 CCCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00588HU0026 [0,1,0,0,0,0|2,0,0]=3 423 B16R1.20527 CCCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00588HU0026 [0,1,0,0,0,0|2,0,0]=3 424 B16R1.20527 CSCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00440HU0026 [0,1,0,0,0,0|3,0,0]=4 425 B16R1.20527 CSCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00440HU0026 [0,1,0,0,0,0|3,0,0]=4 426 B16R1.20527 O=S(=O)(/C=C/c1ccccc1)NCCCO WXVL_AK0073HU0026 [0,1,0,0,0,0|3,0,0]=4 427 B16R1.20527 O=S(=O)(/C=C/c1ccccc1)NCCCO WXVL_AK0073HU0026 [0,1,0,0,0,0|3,0,0]=4 428 B16R2.2238 O=C(/C=C/c1ccccc1)N2CCCC2 WXVL_AN0008SB0115 [0,0,0,1,0,0|1,0,0]=2 429 B16R2.2238 O=C(/C=C/c1ccccc1)N2CCCC2 WXVL_AN0008SB0115 [0,0,0,1,0,0|1,0,0]=2 430 B16R2.2238 O=C(/C=C/c1cccnc1)N2CCCC2 WXVL_AN0008SA0193 [0,0,0,1,0,0|2,0,0]=3 431 B16R2.2238 O=C(/C=C/c1cccnc1)N2CCCC2 WXVL_AN0008SA0193 [0,0,0,1,0,0|2,0,0]=3 432 B16R2.2238 O=C(/C=C/c1cnccn1)N2CCCC2 WXVL_AN0008SA2885 [0,0,0,1,0,0|3,0,0]=4 433 B16R2.2238 O=C(/C=C/c1cnccn1)N2CCCC2 WXVL_AN0008SA2885 [0,0,0,1,0,0|3,0,0]=4 434 B16R2.2238 O=C(C#Cc1ccccc1)N2CCCC2 WXVL_AN0008SB0114 [0,0,0,1,0,0|1,0,2]=4 435 B16R2.2238 O=C(C#Cc1ccccc1)N2CCCC2 WXVL_AN0008SB0114 [0,0,0,1,0,0|1,0,2]=4 436 B16R2.2238 O=C(CCc1ccccc1)N2CCCC2 WXVL_AN0008SB0067 [0,0,0,1,0,0|1,0,2]=4 437 B16R2.2238 O=C(CCc1ccccc1)N2CCCC2 WXVL_AN0008SB0067 [0,0,0,1,0,0|1,0,2]=4 438 B16R2.2238 O=C(COc1ccccc1)N2CCCC2 WXVL_AN0008SB0086 [0,0,0,1,0,0|2,0,1]=4 439 B16R2.2238 O=C(COc1ccccc1)N2CCCC2 WXVL_AN0008SB0086 [0,0,0,1,0,0|2,0,1]=4 440 B16R2.2238 O=C(CSc1ccccc1)N2CCCC2 WXVL_AN0008SB0113 [0,0,0,1,0,0|2,0,1]=4 441 B16R2.2238 O=C(CSc1ccccc1)N2CCCC2 WXVL_AN0008SB0113 [0,0,0,1,0,0|2,0,1]=4 442 B16R2.2238 O=C(NCc1ccccc1)C2CCCC2 WXVL_AK00502SB0043 [0,0,0,1,0,0|2,0,1]=4 443 B16R2.2238 O=C(NCc1ccccc1)C2CCCC2 WXVL_AK00502SB0043 [0,0,0,1,0,0|2,0,1]=4 444 B16R2.2441 CCCCNc1ncc2ccccc2n1 WXVL_AK00588LP0064 [0,0,0,1,0,0|3,0,0]=4 445 B16R2.2441 CCCCNc1ncc2ccccc2n1 WXVL_AK00588LP0064 [0,0,0,1,0,0|3,0,0]=4 446 B16R2.44148 O=C(/C=C/c1ccccc1)NC2CNC2 WXVL_AK1291SB0115 [0,0,0,1,0,0|2,0,0]=3 447 B16R2.44148 O=C(/C=C/c1ccccc1)NC2CNC2 WXVL_AK1291SB0115 [0,0,0,1,0,0|2,0,0]=3 448 B16R2.44148 O=C(/C=C/c1ccccc1)NC2CSC2 WXVL_AK2089SB0115 [0,0,0,1,0,0|2,0,0]=3 449 B16R2.44148 O=C(/C=C/c1ccccc1)NC2CSC2 WXVL_AK2089SB0115 [0,0,0,1,0,0|2,0,0]=3 450 B16R2.44148 O=C(/C=C/c1cccnc1)NC2CNC2 WXVL_AK1291SA0193 [0,0,0,1,0,0|3,0,0]=4 451 B16R2.44148 O=C(/C=C/c1cccnc1)NC2CNC2 WXVL_AK1291SA0193 [0,0,0,1,0,0|3,0,0]=4 452 B16R2.44148 O=C(/C=C/c1cccnc1)NC2CSC2 WXVL_AK2089SA0193 [0,0,0,1,0,0|3,0,0]=4 453 B16R2.44148 O=C(/C=C/c1cccnc1)NC2CSC2 WXVL_AK2089SA0193 [0,0,0,1,0,0|3,0,0]=4 454 B16R2.44148 O=C(CC1CCC1)NCc2ccccc2 WXVL_AK00502SB2207 [0,0,0,1,0,0|2,0,1]=4 455 B16R2.44148 O=C(CC1CCC1)NCc2ccccc2 WXVL_AK00502SB2207 [0,0,0,1,0,0|2,0,1]=4 456 B16R2.44153 O=C(CCC1CC1)NCc2ccccc2 WXVL_AK00502SB5360 [0,0,0,1,0,0|2,0,1]=4 457 B16R2.44153 O=C(CCC1CC1)NCc2ccccc2 WXVL_AK00502SB5360 [0,0,0,1,0,0|2,0,1]=4 458 B14R1.86 CCCCNC(=O)/C=C/c1c[nH]cn1 WXVL_AK00588SA0730 [0,0,0,0,1,0|3,0,0]=4 459 B14R1.86 CCCCNC(=O)/C=C/c1c[nH]cn1 WXVL_AK00588SA0730 [0,0,0,0,1,0|3,0,0]=4 460 B14R1.86 CCCCNC(=O)/C=C/c1ccco1 WXVL_AK00588SA0180 [0,0,0,0,1,0|2,0,0]=3 461 B14R1.86 CCCCNC(=O)/C=C/c1ccco1 WXVL_AK00588SA0180 [0,0,0,0,1,0|2,0,0]=3 462 B14R1.86 CCCCNC(=O)/C=C/c1cccs1 WXVL_AK00588SA0001 [0,0,0,0,1,0|2,0,0]=3 463 B14R1.86 CCCCNC(=O)/C=C/c1cccs1 WXVL_AK00588SA0001 [0,0,0,0,1,0|2,0,0]=3 464 B14R1.86 CCCCNC(=O)/C=C/c1ccoc1 WXVL_AK00588SA0047 [0,0,0,0,1,0|2,0,0]=3 465 B14R1.86 CCCCNC(=O)/C=C/c1ccoc1 WXVL_AK00588SA0047 [0,0,0,0,1,0|2,0,0]=3 466 B14R1.86 CCCCNC(=O)/C=C/c1ccsc1 WXVL_AK00588SA0251 [0,0,0,0,1,0|2,0,0]=3 467 B14R1.86 CCCCNC(=O)/C=C/c1ccsc1 WXVL_AK00588SA0251 [0,0,0,0,1,0|2,0,0]=3 468 B14R1.86 CSCCNC(=O)/C=C/c1ccco1 WXVL_AK00440SA0180 [0,0,0,0,1,0|3,0,0]=4 469 B14R1.86 CSCCNC(=O)/C=C/c1ccco1 WXVL_AK00440SA0180 [0,0,0,0,1,0|3,0,0]=4 470 B14R1.86 CSCCNC(=O)/C=C/c1cccs1 WXVL_AK00440SA0001 [0,0,0,0,1,0|3,0,0]=4 471 B14R1.86 CSCCNC(=O)/C=C/c1cccs1 WXVL_AK00440SA0001 [0,0,0,0,1,0|3,0,0]=4 472 B14R1.86 CSCCNC(=O)/C=C/c1ccoc1 WXVL_AK00440SA0047 [0,0,0,0,1,0|3,0,0]=4 473 B14R1.86 CSCCNC(=O)/C=C/c1ccoc1 WXVL_AK00440SA0047 [0,0,0,0,1,0|3,0,0]=4 474 B14R1.86 CSCCNC(=O)/C=C/c1ccsc1 WXVL_AK00440SA0251 [0,0,0,0,1,0|3,0,0]=4 475 B14R1.86 CSCCNC(=O)/C=C/c1ccsc1 WXVL_AK00440SA0251 [0,0,0,0,1,0|3,0,0]=4 476 B14R1.86 O=C(/C=C/c1ccco1)NCCCO WXVL_AK0073SA0180 [0,0,0,0,1,0|3,0,0]=4 477 B14R1.86 O=C(/C=C/c1ccco1)NCCCO WXVL_AK0073SA0180 [0,0,0,0,1,0|3,0,0]=4 478 B14R1.86 O=C(/C=C/c1cccs1)NCCCO WXVL_AK0073SA0001 [0,0,0,0,1,0|3,0,0]=4 479 B14R1.86 O=C(/C=C/c1cccs1)NCCCO WXVL_AK0073SA0001 [0,0,0,0,1,0|3,0,0]=4 480 B14R1.86 O=C(/C=C/c1ccoc1)NCCCO WXVL_AK0073SA0047 [0,0,0,0,1,0|3,0,0]=4 481 B14R1.86 O=C(/C=C/c1ccoc1)NCCCO WXVL_AK0073SA0047 [0,0,0,0,1,0|3,0,0]=4 482 B14R1.86 O=C(/C=C/c1ccsc1)NCCCO WXVL_AK0073SA0251 [0,0,0,0,1,0|3,0,0]=4 483 B14R1.86 O=C(/C=C/c1ccsc1)NCCCO WXVL_AK0073SA0251 [0,0,0,0,1,0|3,0,0]=4 484 B14R1.158 CCCCNC(=O)Cc1ccccc1 WXVL_AK00588SB0092 [0,0,0,0,1,0|1,0,1]=3 485 B14R1.158 CCCCNC(=O)Cc1ccccc1 WXVL_AK00588SB0092 [0,0,0,0,1,0|1,0,1]=3 486 B14R1.158 CCCCNC(=O)Cc1ccccn1 WXVL_AK00588SA0032 [0,0,0,0,1,0|2,0,1]=4 487 B14R1.158 CCCCNC(=O)Cc1ccccn1 WXVL_AK00588SA0032 [0,0,0,0,1,0|2,0,1]=4 488 B14R1.158 CCCCNC(=O)Cc1cccnc1 WXVL_AK00588SA0029 [0,0,0,0,1,0|2,0,1]=4 489 B14R1.158 CCCCNC(=O)Cc1cccnc1 WXVL_AK00588SA0029 [0,0,0,0,1,0|2,0,1]=4 490 B14R1.158 CCCCNC(=O)Cc1cccnc1 WXVL_AK00588SB00049 [0,0,0,0,1,0|2,0,1]=4 491 B14R1.158 CCCCNC(=O)Cc1cccnc1 WXVL_AK00588SB00049 [0,0,0,0,1,0|2,0,1]=4 492 B14R1.158 CCCCNC(=O)Cc1ccncc1 WXVL_AK00588SA00106 [0,0,0,0,1,0|2,0,1]=4 493 B14R1.158 CCCCNC(=O)Cc1ccncc1 WXVL_AK00588SA00106 [0,0,0,0,1,0|2,0,1]=4 494 B14R1.158 CCCCNC(=O)Nc1ccccn1 WXVL_AK00588YV0189 [0,0,0,0,1,0|3,0,0]=4 495 B14R1.158 CCCCNC(=O)Nc1ccccn1 WXVL_AK00588YV0189 [0,0,0,0,1,0|3,0,0]=4 496 B14R1.158 CSCCNC(=O)Cc1ccccc1 WXVL_AK00440SB0092 [0,0,0,0,1,0|2,0,1]=4 497 B14R1.158 CSCCNC(=O)Cc1ccccc1 WXVL_AK00440SB0092 [0,0,0,0,1,0|2,0,1]=4 498 B14R1.158 O=C(CCCCBr)Nc1ccccc1 WXVL_AG00183SB3153 [0,0,0,0,1,0|3,0,0]=4 499 B14R1.158 O=C(CCCCBr)Nc1ccccc1 WXVL_AG00183SB3153 [0,0,0,0,1,0|3,0,0]=4 500 B14R1.158 O=C(CCCCCl)Nc1ccccc1 WXVL_AG00183SB0379 [0,0,0,0,1,0|3,0,0]=4 501 B14R1.158 O=C(CCCCCl)Nc1ccccc1 WXVL_AG00183SB0379 [0,0,0,0,1,0|3,0,0]=4 502 B14R1.158 O=C(Cc1ccccc1)NCCCO WXVL_AK0073SB0092 [0,0,0,0,1,0|2,0,1]=4 503 B14R1.158 O=C(Cc1ccccc1)NCCCO WXVL_AK0073SB0092 [0,0,0,0,1,0|2,0,1]=4 504 B14R1.158 O=C(NCCCCl)Nc1ccccc1 WXVL_AG00183YV0130 [0,0,0,0,1,0|3,0,0]=4 505 B14R1.158 O=C(NCCCCl)Nc1ccccc1 WXVL_AG00183YV0130 [0,0,0,0,1,0|3,0,0]=4 506 B16R1.1694 CCCCNC(=O)CCCc1ccccc1 WXVL_AK00588SB0121 [0,0,0,0,0,1|1,0,2]=4 507 B16R1.1694 CCCCNC(=O)CCCc1ccccc1 WXVL_AK00588SB0121 [0,0,0,0,0,1|1,0,2]=4 508 B16R1.1694 CCCCNC(=O)CCOc1ccccc1 WXVL_AK00588SB0066 [0,0,0,0,0,1|1,0,2]=4 509 B16R1.1694 CCCCNC(=O)CCOc1ccccc1 WXVL_AK00588SB0066 [0,0,0,0,0,1|1,0,2]=4 510 B16R1.1694 CCCCNC(=O)COCc1ccccc1 WXVL_AK00588SB0185 [0,0,0,0,0,1|1,0,2]=4 511 B16R1.1694 CCCCNC(=O)COCc1ccccc1 WXVL_AK00588SB0185 [0,0,0,0,0,1|1,0,2]=4 512 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [2,0,0,0,0,0|1,0,1]=4 513 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [2,0,0,0,0,0|1,0,1]=4 514 B13R1.42 CCNC(=O)/C=C/c1ccccc1 WXVL_AK00476SB0115 [2,0,0,0,0,0|1,0,0]=3 515 B13R1.42 CCNC(=O)/C=C/c1ccccc1 WXVL_AK00476SB0115 [2,0,0,0,0,0|1,0,0]=3 516 B13R1.42 CCNC(=O)/C=C/c1cccnc1 WXVL_AK00476SA0193 [2,0,0,0,0,0|2,0,0]=4 517 B13R1.42 CCNC(=O)/C=C/c1cccnc1 WXVL_AK00476SA0193 [2,0,0,0,0,0|2,0,0]=4 518 B15R1.115 CCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00504YV0027 [1,1,0,0,0,0|2,0,0]=4 519 B15R1.115 CCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00504YV0027 [1,1,0,0,0,0|2,0,0]=4 520 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00504SB1601 [1,1,0,0,0,0|1,0,0]=3 521 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00504SB1601 [1,1,0,0,0,0|1,0,0]=3 522 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00504SB0417 [1,1,0,0,0,0|1,0,0]=3 523 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00504SB0417 [1,1,0,0,0,0|1,0,0]=3 524 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF WXVL_AK00466SB1601 [1,1,0,0,0,0|2,0,0]=4 525 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF WXVL_AK00466SB1601 [1,1,0,0,0,0|2,0,0]=4 526 B15R1.127 O=C(C=Cc1cccc(c1)O)NCCF WXVL_AK00466SB0417 [1,1,0,0,0,0|2,0,0]=4 527 B15R1.127 O=C(C=Cc1cccc(c1)O)NCCF WXVL_AK00466SB0417 [1,1,0,0,0,0|2,0,0]=4 528 B15R1.139 CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00504SB0418 [1,1,0,0,0,0|1,0,0]=3 529 B15R1.139 CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00504SB0418 [1,1,0,0,0,0|1,0,0]=3 530 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00504SB1122 [1,1,0,0,0,0|1,0,0]=3 531 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00504SB1122 [1,1,0,0,0,0|1,0,0]=3 532 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00504SB0060 [1,1,0,0,0,0|1,0,0]=3 533 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00504SB0060 [1,1,0,0,0,0|1,0,0]=3 534 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00504SB0119 [1,1,0,0,0,0|1,0,0]=3 535 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00504SB0119 [1,1,0,0,0,0|1,0,0]=3 536 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00504SB1186 [1,1,0,0,0,0|1,0,0]=3 537 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00504SB1186 [1,1,0,0,0,0|1,0,0]=3 538 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF WXVL_AK00466SB0060 [1,1,0,0,0,0|2,0,0]=4 539 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF WXVL_AK00466SB0060 [1,1,0,0,0,0|2,0,0]=4 540 B15R1.139 O=C(/C=C/c1ccc(cc1)O)NCCF WXVL_AK00466SB0418 [1,1,0,0,0,0|2,0,0]=4 541 B15R1.139 O=C(/C=C/c1ccc(cc1)O)NCCF WXVL_AK00466SB0418 [1,1,0,0,0,0|2,0,0]=4 542 B15R1.139 O=C(C=Cc1ccc(cc1)Br)NCCF WXVL_AK00466SB1122 [1,1,0,0,0,0|2,0,0]=4 543 B15R1.139 O=C(C=Cc1ccc(cc1)Br)NCCF WXVL_AK00466SB1122 [1,1,0,0,0,0|2,0,0]=4 544 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF WXVL_AK00466SB0119 [1,1,0,0,0,0|2,0,0]=4 545 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF WXVL_AK00466SB0119 [1,1,0,0,0,0|2,0,0]=4 546 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF WXVL_AK00466SB1186 [1,1,0,0,0,0|2,0,0]=4 547 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF WXVL_AK00466SB1186 [1,1,0,0,0,0|2,0,0]=4 548 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCC WXVL_AK00504SB0413 [1,1,0,0,0,0|1,0,1]=4 549 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCC WXVL_AK00504SB0413 [1,1,0,0,0,0|1,0,1]=4 550 B15R1.551 CCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00504SA1933 [1,1,0,0,0,0|2,0,0]=4 551 B15R1.551 CCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00504SA1933 [1,1,0,0,0,0|2,0,0]=4 552 B15R1.741 CCC(C)CC(=O)NCc1ccccc1 WXVL_AK00502SB0353 [1,1,0,0,0,0|1,0,1]=4 553 B15R1.741 CCC(C)CC(=O)NCc1ccccc1 WXVL_AK00502SB0353 [1,1,0,0,0,0|1,0,1]=4 554 B15R1.741 CCC(O)CC(=O)NCc1ccccc1 WXVL_AK00502SB4092 [1,1,0,0,0,0|1,0,1]=4 555 B15R1.741 CCC(O)CC(=O)NCc1ccccc1 WXVL_AK00502SB4092 [1,1,0,0,0,0|1,0,1]=4 556 B15R1.741 CC[C@@H](C)CC(=O)NCc1ccccc1 WXVL_AK00502SB8650 [1,1,0,0,0,0|1,0,1]=4 557 B15R1.741 CC[C@@H](C)CC(=O)NCc1ccccc1 WXVL_AK00502SB8650 [1,1,0,0,0,0|1,0,1]=4 558 B15R1.741 CC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00678SB0115 [1,1,0,0,0,0|1,0,0]=3 559 B15R1.741 CC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00678SB0115 [1,1,0,0,0,0|1,0,0]=3 560 B15R1.741 CC[C@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00678SA0193 [1,1,0,0,0,0|2,0,0]=4 561 B15R1.741 CC[C@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00678SA0193 [1,1,0,0,0,0|2,0,0]=4 562 B15R1.741 C[C@@H](CF)NC(=O)/C=C/c1ccccc1 WXVL_AK00558SB0115 [1,1,0,0,0,0|2,0,0]=4 563 B15R1.741 C[C@@H](CF)NC(=O)/C=C/c1ccccc1 WXVL_AK00558SB0115 [1,1,0,0,0,0|2,0,0]=4 564 B15R1.741 C[C@@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK0109SB0115 [1,1,0,0,0,0|2,0,0]=4 565 B15R1.741 C[C@@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK0109SB0115 [1,1,0,0,0,0|2,0,0]=4 566 B15R1.826 CCCC(C)C(=O)NCc1ccccc1 WXVL_AK00502SB0352 [1,1,0,0,0,0|1,0,1]=4 567 B15R1.826 CCCC(C)C(=O)NCc1ccccc1 WXVL_AK00502SB0352 [1,1,0,0,0,0|1,0,1]=4 568 B15R1.826 CCC[C@H](O)C(=O)NCc1ccccc1 WXVL_AK00502SB3627 [1,1,0,0,0,0|1,0,1]=4 569 B15R1.826 CCC[C@H](O)C(=O)NCc1ccccc1 WXVL_AK00502SB3627 [1,1,0,0,0,0|1,0,1]=4 570 B15R1.826 CN(CCO)C(=O)/C=C/c1ccccc1 WXVL_AN2670SB0115 [1,1,0,0,0,0|2,0,0]=4 571 B15R1.826 CN(CCO)C(=O)/C=C/c1ccccc1 WXVL_AN2670SB0115 [1,1,0,0,0,0|2,0,0]=4 572 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br WXVL_AK00504SB3065 [1,1,0,0,0,0|1,0,0]=3 573 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br WXVL_AK00504SB3065 [1,1,0,0,0,0|1,0,0]=3 574 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF WXVL_AK00466SB3065 [1,1,0,0,0,0|2,0,0]=4 575 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF WXVL_AK00466SB3065 [1,1,0,0,0,0|2,0,0]=4 576 B15R1.5919 C=C(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK0761SB0115 [1,1,0,0,0,0|1,0,1]=4 577 B15R1.5919 C=C(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK0761SB0115 [1,1,0,0,0,0|1,0,1]=4 578 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 WXVL_AK00502SB0354 [1,1,0,0,0,0|1,0,1]=4 579 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 WXVL_AK00502SB0354 [1,1,0,0,0,0|1,0,1]=4 580 B15R1.5919 CC(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00544SB0115 [1,1,0,0,0,0|1,0,0]=3 581 B15R1.5919 CC(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00544SB0115 [1,1,0,0,0,0|1,0,0]=3 582 B15R1.5919 CC(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00544SA0193 [1,1,0,0,0,0|2,0,0]=4 583 B15R1.5919 CC(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00544SA0193 [1,1,0,0,0,0|2,0,0]=4 584 B15R1.5919 CC(O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0052SB0115 [1,1,0,0,0,0|1,0,0]=3 585 B15R1.5919 CC(O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0052SB0115 [1,1,0,0,0,0|1,0,0]=3 586 B15R1.5919 CC(O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0052SA0193 [1,1,0,0,0,0|2,0,0]=4 587 B15R1.5919 CC(O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0052SA0193 [1,1,0,0,0,0|2,0,0]=4 588 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0113SB0115 [1,1,0,0,0,0|1,0,0]=3 589 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0113SB0115 [1,1,0,0,0,0|1,0,0]=3 590 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0113SA0193 [1,1,0,0,0,0|2,0,0]=4 591 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0113SA0193 [1,1,0,0,0,0|2,0,0]=4 592 B15R1.5919 O=C(/C=C/c1ccccc1)NCC(F)F WXVL_AK0136SB0115 [1,1,0,0,0,0|2,0,0]=4 593 B15R1.5919 O=C(/C=C/c1ccccc1)NCC(F)F WXVL_AK0136SB0115 [1,1,0,0,0,0|2,0,0]=4 594 B15R1.5934 CCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00504HU0026 [1,1,0,0,0,0|2,0,0]=4 595 B15R1.5934 CCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00504HU0026 [1,1,0,0,0,0|2,0,0]=4 596 B15R1.77 CCCCNC(=O)/C=C/c1ccc(s1)C WXVL_AK00588SA1334 [0,1,0,0,1,0|2,0,0]=4 597 B15R1.77 CCCCNC(=O)/C=C/c1ccc(s1)C WXVL_AK00588SA1334 [0,1,0,0,1,0|2,0,0]=4 598 B15R1.503 CC(C)CCNC(=O)/C=C/c1ccco1 WXVL_AK0068SA0180 [0,1,0,0,1,0|2,0,0]=4 599 B15R1.503 CC(C)CCNC(=O)/C=C/c1ccco1 WXVL_AK0068SA0180 [0,1,0,0,1,0|2,0,0]=4 600 B15R1.503 CC(C)CCNC(=O)/C=C/c1cccs1 WXVL_AK0068SA0001 [0,1,0,0,1,0|2,0,0]=4 601 B15R1.503 CC(C)CCNC(=O)/C=C/c1cccs1 WXVL_AK0068SA0001 [0,1,0,0,1,0|2,0,0]=4 602 B15R1.503 CC(C)CCNC(=O)/C=C/c1ccoc1 WXVL_AK0068SA0047 [0,1,0,0,1,0|2,0,0]=4 603 B15R1.503 CC(C)CCNC(=O)/C=C/c1ccoc1 WXVL_AK0068SA0047 [0,1,0,0,1,0|2,0,0]=4 604 B15R1.503 CC(C)CCNC(=O)/C=C/c1ccsc1 WXVL_AK0068SA0251 [0,1,0,0,1,0|2,0,0]=4 605 B15R1.503 CC(C)CCNC(=O)/C=C/c1ccsc1 WXVL_AK0068SA0251 [0,1,0,0,1,0|2,0,0]=4 606 B15R1.579 CCCCCNC(=O)/C=C/c1ccco1 WXVL_AK0076SA0180 [0,1,0,0,1,0|2,0,0]=4 607 B15R1.579 CCCCCNC(=O)/C=C/c1ccco1 WXVL_AK0076SA0180 [0,1,0,0,1,0|2,0,0]=4 608 B15R1.579 CCCCCNC(=O)/C=C/c1cccs1 WXVL_AK0076SA0001 [0,1,0,0,1,0|2,0,0]=4 609 B15R1.579 CCCCCNC(=O)/C=C/c1cccs1 WXVL_AK0076SA0001 [0,1,0,0,1,0|2,0,0]=4 610 B15R1.579 CCCCCNC(=O)/C=C/c1ccoc1 WXVL_AK0076SA0047 [0,1,0,0,1,0|2,0,0]=4 611 B15R1.579 CCCCCNC(=O)/C=C/c1ccoc1 WXVL_AK0076SA0047 [0,1,0,0,1,0|2,0,0]=4 612 B15R1.579 CCCCCNC(=O)/C=C/c1ccsc1 WXVL_AK0076SA0251 [0,1,0,0,1,0|2,0,0]=4 613 B15R1.579 CCCCCNC(=O)/C=C/c1ccsc1 WXVL_AK0076SA0251 [0,1,0,0,1,0|2,0,0]=4 614 B15R1.579 CCSCCNC(=O)/C=C/c1ccco1 WXVL_AK00494SA0180 [0,1,0,0,1,0|2,0,0]=4 615 B15R1.579 CCSCCNC(=O)/C=C/c1ccco1 WXVL_AK00494SA0180 [0,1,0,0,1,0|2,0,0]=4 616 B15R1.579 CCSCCNC(=O)/C=C/c1cccs1 WXVL_AK00494SA0001 [0,1,0,0,1,0|2,0,0]=4 617 B15R1.579 CCSCCNC(=O)/C=C/c1cccs1 WXVL_AK00494SA0001 [0,1,0,0,1,0|2,0,0]=4 618 B15R1.579 CCSCCNC(=O)/C=C/c1ccoc1 WXVL_AK00494SA0047 [0,1,0,0,1,0|2,0,0]=4 619 B15R1.579 CCSCCNC(=O)/C=C/c1ccoc1 WXVL_AK00494SA0047 [0,1,0,0,1,0|2,0,0]=4 620 B15R1.579 CCSCCNC(=O)/C=C/c1ccsc1 WXVL_AK00494SA0251 [0,1,0,0,1,0|2,0,0]=4 621 B15R1.579 CCSCCNC(=O)/C=C/c1ccsc1 WXVL_AK00494SA0251 [0,1,0,0,1,0|2,0,0]=4 622 B15R1.579 COCCCNC(=O)/C=C/c1ccco1 WXVL_AK00637SA0180 [0,1,0,0,1,0|2,0,0]=4 623 B15R1.579 COCCCNC(=O)/C=C/c1ccco1 WXVL_AK00637SA0180 [0,1,0,0,1,0|2,0,0]=4 624 B15R1.579 COCCCNC(=O)/C=C/c1cccs1 WXVL_AK00637SA0001 [0,1,0,0,1,0|2,0,0]=4 625 B15R1.579 COCCCNC(=O)/C=C/c1cccs1 WXVL_AK00637SA0001 [0,1,0,0,1,0|2,0,0]=4 626 B15R1.579 COCCCNC(=O)/C=C/c1ccoc1 WXVL_AK00637SA0047 [0,1,0,0,1,0|2,0,0]=4 627 B15R1.579 COCCCNC(=O)/C=C/c1ccoc1 WXVL_AK00637SA0047 [0,1,0,0,1,0|2,0,0]=4 628 B15R1.579 COCCCNC(=O)/C=C/c1ccsc1 WXVL_AK00637SA0251 [0,1,0,0,1,0|2,0,0]=4 629 B15R1.579 COCCCNC(=O)/C=C/c1ccsc1 WXVL_AK00637SA0251 [0,1,0,0,1,0|2,0,0]=4 630 B15R1.579 CSCCCNC(=O)/C=C/c1ccco1 WXVL_AK0965SA0180 [0,1,0,0,1,0|2,0,0]=4 631 B15R1.579 CSCCCNC(=O)/C=C/c1ccco1 WXVL_AK0965SA0180 [0,1,0,0,1,0|2,0,0]=4 632 B15R1.579 CSCCCNC(=O)/C=C/c1cccs1 WXVL_AK0965SA0001 [0,1,0,0,1,0|2,0,0]=4 633 B15R1.579 CSCCCNC(=O)/C=C/c1cccs1 WXVL_AK0965SA0001 [0,1,0,0,1,0|2,0,0]=4 634 B15R1.579 CSCCCNC(=O)/C=C/c1ccoc1 WXVL_AK0965SA0047 [0,1,0,0,1,0|2,0,0]=4 635 B15R1.579 CSCCCNC(=O)/C=C/c1ccoc1 WXVL_AK0965SA0047 [0,1,0,0,1,0|2,0,0]=4 636 B15R1.579 CSCCCNC(=O)/C=C/c1ccsc1 WXVL_AK0965SA0251 [0,1,0,0,1,0|2,0,0]=4 637 B15R1.579 CSCCCNC(=O)/C=C/c1ccsc1 WXVL_AK0965SA0251 [0,1,0,0,1,0|2,0,0]=4 638 B15R1.579 O=C(/C=C/c1ccco1)NCCCCO WXVL_AK0075SA0180 [0,1,0,0,1,0|2,0,0]=4 639 B15R1.579 O=C(/C=C/c1ccco1)NCCCCO WXVL_AK0075SA0180 [0,1,0,0,1,0|2,0,0]=4 640 B15R1.579 O=C(/C=C/c1cccs1)NCCCCO WXVL_AK0075SA0001 [0,1,0,0,1,0|2,0,0]=4 641 B15R1.579 O=C(/C=C/c1cccs1)NCCCCO WXVL_AK0075SA0001 [0,1,0,0,1,0|2,0,0]=4 642 B15R1.579 O=C(/C=C/c1ccoc1)NCCCCO WXVL_AK0075SA0047 [0,1,0,0,1,0|2,0,0]=4 643 B15R1.579 O=C(/C=C/c1ccoc1)NCCCCO WXVL_AK0075SA0047 [0,1,0,0,1,0|2,0,0]=4 644 B15R1.579 O=C(/C=C/c1ccsc1)NCCCCO WXVL_AK0075SA0251 [0,1,0,0,1,0|2,0,0]=4 645 B15R1.579 O=C(/C=C/c1ccsc1)NCCCCO WXVL_AK0075SA0251 [0,1,0,0,1,0|2,0,0]=4 646 B15R1.1284 CCC[C@H](C)NC(=O)/C=C/c1ccco1 WXVL_AK00682SA0180 [0,1,0,0,1,0|2,0,0]=4 647 B15R1.1284 CCC[C@H](C)NC(=O)/C=C/c1ccco1 WXVL_AK00682SA0180 [0,1,0,0,1,0|2,0,0]=4 648 B15R1.1284 CCC[C@H](C)NC(=O)/C=C/c1cccs1 WXVL_AK00682SA0001 [0,1,0,0,1,0|2,0,0]=4 649 B15R1.1284 CCC[C@H](C)NC(=O)/C=C/c1cccs1 WXVL_AK00682SA0001 [0,1,0,0,1,0|2,0,0]=4 650 B15R1.1284 CCC[C@H](C)NC(=O)/C=C/c1ccoc1 WXVL_AK00682SA0047 [0,1,0,0,1,0|2,0,0]=4 651 B15R1.1284 CCC[C@H](C)NC(=O)/C=C/c1ccoc1 WXVL_AK00682SA0047 [0,1,0,0,1,0|2,0,0]=4 652 B15R1.1284 CCC[C@H](C)NC(=O)/C=C/c1ccsc1 WXVL_AK00682SA0251 [0,1,0,0,1,0|2,0,0]=4 653 B15R1.1284 CCC[C@H](C)NC(=O)/C=C/c1ccsc1 WXVL_AK00682SA0251 [0,1,0,0,1,0|2,0,0]=4 654 B15R1.93 CCCCNC(=O)C(=O)c1ccccc1 WXVL_AK00588SB0050 [0,1,0,0,1,0|1,0,0]=3 655 B15R1.93 CCCCNC(=O)C(=O)c1ccccc1 WXVL_AK00588SB0050 [0,1,0,0,1,0|1,0,0]=3 656 B15R1.93 CCCCNC(=O)C(C)c1ccccc1 WXVL_AK00588SB2326 [0,1,0,0,1,0|1,0,1]=4 657 B15R1.93 CCCCNC(=O)C(C)c1ccccc1 WXVL_AK00588SB2326 [0,1,0,0,1,0|1,0,1]=4 658 B15R1.93 CCCCNC(=O)C(O)c1ccccc1 WXVL_AK00588SB0168 [0,1,0,0,1,0|1,0,1]=4 659 B15R1.93 CCCCNC(=O)C(O)c1ccccc1 WXVL_AK00588SB0168 [0,1,0,0,1,0|1,0,1]=4 660 B15R1.93 CSCCNC(=O)C(=O)c1ccccc1 WXVL_AK00440SB0050 [0,1,0,0,1,0|2,0,0]=4 661 B15R1.93 CSCCNC(=O)C(=O)c1ccccc1 WXVL_AK00440SB0050 [0,1,0,0,1,0|2,0,0]=4 662 B15R1.93 O=C(NCCCO)C(=O)c1ccccc1 WXVL_AK0073SB0050 [0,1,0,0,1,0|2,0,0]=4 663 B15R1.93 O=C(NCCCO)C(=O)c1ccccc1 WXVL_AK0073SB0050 [0,1,0,0,1,0|2,0,0]=4 664 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Br WXVL_AK00588SB0926 [0,1,0,0,1,0|1,0,1]=4 665 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Br WXVL_AK00588SB0926 [0,1,0,0,1,0|1,0,1]=4 666 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)C WXVL_AK00588SB0112 [0,1,0,0,1,0|1,0,1]=4 667 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)C WXVL_AK00588SB0112 [0,1,0,0,1,0|1,0,1]=4 668 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Cl WXVL_AK00588SB0107 [0,1,0,0,1,0|1,0,1]=4 669 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Cl WXVL_AK00588SB0107 [0,1,0,0,1,0|1,0,1]=4 670 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)F WXVL_AK00588SB0106 [0,1,0,0,1,0|1,0,1]=4 671 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)F WXVL_AK00588SB0106 [0,1,0,0,1,0|1,0,1]=4 672 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)O WXVL_AK00588SB0110 [0,1,0,0,1,0|1,0,1]=4 673 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)O WXVL_AK00588SB0110 [0,1,0,0,1,0|1,0,1]=4 674 B15R1.128 CCCCNC(=O)Nc1ccc(cc1)C WXVL_AK00588YV0026 [0,1,0,0,1,0|2,0,0]=4 675 B15R1.128 CCCCNC(=O)Nc1ccc(cc1)C WXVL_AK00588YV0026 [0,1,0,0,1,0|2,0,0]=4 676 B15R1.128 CCCCNC(=O)Nc1ccc(cc1)Cl WXVL_AK00588YV0023 [0,1,0,0,1,0|2,0,0]=4 677 B15R1.128 CCCCNC(=O)Nc1ccc(cc1)Cl WXVL_AK00588YV0023 [0,1,0,0,1,0|2,0,0]=4 678 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Br WXVL_AK00588SB0099 [0,1,0,0,1,0|1,0,1]=4 679 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Br WXVL_AK00588SB0099 [0,1,0,0,1,0|1,0,1]=4 680 B15R1.129 CCCCNC(=O)Cc1cccc(c1)C WXVL_AK00588SB0105 [0,1,0,0,1,0|1,0,1]=4 681 B15R1.129 CCCCNC(=O)Cc1cccc(c1)C WXVL_AK00588SB0105 [0,1,0,0,1,0|1,0,1]=4 682 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Cl WXVL_AK00588SB0101 [0,1,0,0,1,0|1,0,1]=4 683 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Cl WXVL_AK00588SB0101 [0,1,0,0,1,0|1,0,1]=4 684 B15R1.129 CCCCNC(=O)Cc1cccc(c1)F WXVL_AK00588SB0100 [0,1,0,0,1,0|1,0,1]=4 685 B15R1.129 CCCCNC(=O)Cc1cccc(c1)F WXVL_AK00588SB0100 [0,1,0,0,1,0|1,0,1]=4 686 B15R1.129 CCCCNC(=O)Cc1cccc(c1)O WXVL_AK00588SB0104 [0,1,0,0,1,0|1,0,1]=4 687 B15R1.129 CCCCNC(=O)Cc1cccc(c1)O WXVL_AK00588SB0104 [0,1,0,0,1,0|1,0,1]=4 688 B15R1.129 CCCCNC(=O)Nc1cccc(c1)Br WXVL_AK00588YV0098 [0,1,0,0,1,0|2,0,0]=4 689 B15R1.129 CCCCNC(=O)Nc1cccc(c1)Br WXVL_AK00588YV0098 [0,1,0,0,1,0|2,0,0]=4 690 B15R1.129 CCCCNC(=O)Nc1cccc(c1)C WXVL_AK00588YV0020 [0,1,0,0,1,0|2,0,0]=4 691 B15R1.129 CCCCNC(=O)Nc1cccc(c1)C WXVL_AK00588YV0020 [0,1,0,0,1,0|2,0,0]=4 692 B15R1.129 CCCCNC(=O)Nc1cccc(c1)Cl WXVL_AK00588YV0016 [0,1,0,0,1,0|2,0,0]=4 693 B15R1.129 CCCCNC(=O)Nc1cccc(c1)Cl WXVL_AK00588YV0016 [0,1,0,0,1,0|2,0,0]=4 694 B15R1.809 CCC[C@H](C)NC(=O)Cc1ccccc1 WXVL_AK00682SB0092 [0,1,0,0,1,0|1,0,1]=4 695 B15R1.809 CCC[C@H](C)NC(=O)Cc1ccccc1 WXVL_AK00682SB0092 [0,1,0,0,1,0|1,0,1]=4 696 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 WXVL_AG00183SB1301 [0,1,0,0,1,0|2,0,0]=4 697 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 WXVL_AG00183SB1301 [0,1,0,0,1,0|2,0,0]=4 698 B15R1.1081 CC(C)CCNC(=O)Cc1ccccc1 WXVL_AK0068SB0092 [0,1,0,0,1,0|1,0,1]=4 699 B15R1.1081 CC(C)CCNC(=O)Cc1ccccc1 WXVL_AK0068SB0092 [0,1,0,0,1,0|1,0,1]=4 700 B15R1.1409 CCCCNC(=O)Cc1ccccc1Br WXVL_AK00588SB0093 [0,1,0,0,1,0|1,0,1]=4 701 B15R1.1409 CCCCNC(=O)Cc1ccccc1Br WXVL_AK00588SB0093 [0,1,0,0,1,0|1,0,1]=4 702 B15R1.1409 CCCCNC(=O)Cc1ccccc1C WXVL_AK00588SB0098 [0,1,0,0,1,0|1,0,1]=4 703 B15R1.1409 CCCCNC(=O)Cc1ccccc1C WXVL_AK00588SB0098 [0,1,0,0,1,0|1,0,1]=4 704 B15R1.1409 CCCCNC(=O)Cc1ccccc1Cl WXVL_AK00588SB0095 [0,1,0,0,1,0|1,0,1]=4 705 B15R1.1409 CCCCNC(=O)Cc1ccccc1Cl WXVL_AK00588SB0095 [0,1,0,0,1,0|1,0,1]=4 706 B15R1.1409 CCCCNC(=O)Cc1ccccc1F WXVL_AK00588SB0094 [0,1,0,0,1,0|1,0,1]=4 707 B15R1.1409 CCCCNC(=O)Cc1ccccc1F WXVL_AK00588SB0094 [0,1,0,0,1,0|1,0,1]=4 708 B15R1.1409 CCCCNC(=O)Cc1ccccc1I WXVL_AK00588SB1145 [0,1,0,0,1,0|1,0,1]=4 709 B15R1.1409 CCCCNC(=O)Cc1ccccc1I WXVL_AK00588SB1145 [0,1,0,0,1,0|1,0,1]=4 710 B15R1.1409 CCCCNC(=O)Cc1ccccc1O WXVL_AK00588SB0400 [0,1,0,0,1,0|1,0,1]=4 711 B15R1.1409 CCCCNC(=O)Cc1ccccc1O WXVL_AK00588SB0400 [0,1,0,0,1,0|1,0,1]=4 712 B15R1.1409 CCCCNC(=O)Nc1ccccc1Br WXVL_AK00588YV0003 [0,1,0,0,1,0|2,0,0]=4 713 B15R1.1409 CCCCNC(=O)Nc1ccccc1Br WXVL_AK00588YV0003 [0,1,0,0,1,0|2,0,0]=4 714 B15R1.1409 CCCCNC(=O)Nc1ccccc1C WXVL_AK00588YV0013 [0,1,0,0,1,0|2,0,0]=4 715 B15R1.1409 CCCCNC(=O)Nc1ccccc1C WXVL_AK00588YV0013 [0,1,0,0,1,0|2,0,0]=4 716 B15R1.1409 CCCCNC(=O)Nc1ccccc1Cl WXVL_AK00588YV0007 [0,1,0,0,1,0|2,0,0]=4 717 B15R1.1409 CCCCNC(=O)Nc1ccccc1Cl WXVL_AK00588YV0007 [0,1,0,0,1,0|2,0,0]=4 718 B17R1.1299 CCCCNC(=O)CNC(=O)c1ccccc1 WXVL_AK00588SB0466 [0,1,0,0,0,1|1,0,1]=4 719 B17R1.1299 CCCCNC(=O)CNC(=O)c1ccccc1 WXVL_AK00588SB0466 [0,1,0,0,0,1|1,0,1]=4 720 B17R1.675 CC(C)CCNC(=O)NC(=O)c1ccccc1 WXVL_AK0068YV0027 [0,2,0,0,0,0|2,0,0]=4 721 B17R1.675 CC(C)CCNC(=O)NC(=O)c1ccccc1 WXVL_AK0068YV0027 [0,2,0,0,0,0|2,0,0]=4 722 B17R1.724 CCCCCNC(=O)NC(=O)c1ccccc1 WXVL_AK0076YV0027 [0,2,0,0,0,0|2,0,0]=4 723 B17R1.724 CCCCCNC(=O)NC(=O)c1ccccc1 WXVL_AK0076YV0027 [0,2,0,0,0,0|2,0,0]=4 724 B17R1.724 CCSCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00494YV0027 [0,2,0,0,0,0|2,0,0]=4 725 B17R1.724 CCSCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00494YV0027 [0,2,0,0,0,0|2,0,0]=4 726 B17R1.724 COCCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00637YV0027 [0,2,0,0,0,0|2,0,0]=4 727 B17R1.724 COCCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00637YV0027 [0,2,0,0,0,0|2,0,0]=4 728 B17R1.724 CSCCCNC(=O)NC(=O)c1ccccc1 WXVL_AK0965YV0027 [0,2,0,0,0,0|2,0,0]=4 729 B17R1.724 CSCCCNC(=O)NC(=O)c1ccccc1 WXVL_AK0965YV0027 [0,2,0,0,0,0|2,0,0]=4 730 B17R1.724 O=C(NCCCCO)NC(=O)c1ccccc1 WXVL_AK0075YV0027 [0,2,0,0,0,0|2,0,0]=4 731 B17R1.724 O=C(NCCCCO)NC(=O)c1ccccc1 WXVL_AK0075YV0027 [0,2,0,0,0,0|2,0,0]=4 732 B17R1.1634 CCC[C@H](C)NC(=O)NC(=O)c1ccccc1 WXVL_AK00682YV0027 [0,2,0,0,0,0|2,0,0]=4 733 B17R1.1634 CCC[C@H](C)NC(=O)NC(=O)c1ccccc1 WXVL_AK00682YV0027 [0,2,0,0,0,0|2,0,0]=4 734 B17R1.741 C#CCCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00218SB0418 [0,2,0,0,0,0|1,0,1]=4 735 B17R1.741 C#CCCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00218SB0418 [0,2,0,0,0,0|1,0,1]=4 736 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00218SB1122 [0,2,0,0,0,0|1,0,1]=4 737 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00218SB1122 [0,2,0,0,0,0|1,0,1]=4 738 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00218SB0060 [0,2,0,0,0,0|1,0,1]=4 739 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00218SB0060 [0,2,0,0,0,0|1,0,1]=4 740 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00218SB0119 [0,2,0,0,0,0|1,0,1]=4 741 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00218SB0119 [0,2,0,0,0,0|1,0,1]=4 742 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00218SB1186 [0,2,0,0,0,0|1,0,1]=4 743 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00218SB1186 [0,2,0,0,0,0|1,0,1]=4 744 B17R1.741 CCCCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0076SB0418 [0,2,0,0,0,0|1,0,0]=3 745 B17R1.741 CCCCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0076SB0418 [0,2,0,0,0,0|1,0,0]=3 746 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0076SB1122 [0,2,0,0,0,0|1,0,0]=3 747 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0076SB1122 [0,2,0,0,0,0|1,0,0]=3 748 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK0076SB0060 [0,2,0,0,0,0|1,0,0]=3 749 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK0076SB0060 [0,2,0,0,0,0|1,0,0]=3 750 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0076SB0119 [0,2,0,0,0,0|1,0,0]=3 751 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0076SB0119 [0,2,0,0,0,0|1,0,0]=3 752 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0076SB1186 [0,2,0,0,0,0|1,0,0]=3 753 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0076SB1186 [0,2,0,0,0,0|1,0,0]=3 754 B17R1.741 CCSCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00494SB0418 [0,2,0,0,0,0|1,0,0]=3 755 B17R1.741 CCSCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00494SB0418 [0,2,0,0,0,0|1,0,0]=3 756 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00494SB1122 [0,2,0,0,0,0|1,0,0]=3 757 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00494SB1122 [0,2,0,0,0,0|1,0,0]=3 758 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00494SB0060 [0,2,0,0,0,0|1,0,0]=3 759 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00494SB0060 [0,2,0,0,0,0|1,0,0]=3 760 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00494SB0119 [0,2,0,0,0,0|1,0,0]=3 761 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00494SB0119 [0,2,0,0,0,0|1,0,0]=3 762 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00494SB1186 [0,2,0,0,0,0|1,0,0]=3 763 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00494SB1186 [0,2,0,0,0,0|1,0,0]=3 764 B17R1.741 COCCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00637SB0418 [0,2,0,0,0,0|1,0,0]=3 765 B17R1.741 COCCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00637SB0418 [0,2,0,0,0,0|1,0,0]=3 766 B17R1.741 COCCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00637SB1122 [0,2,0,0,0,0|1,0,0]=3 767 B17R1.741 COCCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00637SB1122 [0,2,0,0,0,0|1,0,0]=3 768 B17R1.741 COCCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00637SB0060 [0,2,0,0,0,0|1,0,0]=3 769 B17R1.741 COCCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00637SB0060 [0,2,0,0,0,0|1,0,0]=3 770 B17R1.741 COCCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00637SB0119 [0,2,0,0,0,0|1,0,0]=3 771 B17R1.741 COCCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00637SB0119 [0,2,0,0,0,0|1,0,0]=3 772 B17R1.741 COCCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00637SB1186 [0,2,0,0,0,0|1,0,0]=3 773 B17R1.741 COCCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00637SB1186 [0,2,0,0,0,0|1,0,0]=3 774 B17R1.741 CSCCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0965SB0418 [0,2,0,0,0,0|1,0,0]=3 775 B17R1.741 CSCCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0965SB0418 [0,2,0,0,0,0|1,0,0]=3 776 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0965SB1122 [0,2,0,0,0,0|1,0,0]=3 777 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0965SB1122 [0,2,0,0,0,0|1,0,0]=3 778 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK0965SB0060 [0,2,0,0,0,0|1,0,0]=3 779 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK0965SB0060 [0,2,0,0,0,0|1,0,0]=3 780 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0965SB0119 [0,2,0,0,0,0|1,0,0]=3 781 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0965SB0119 [0,2,0,0,0,0|1,0,0]=3 782 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0965SB1186 [0,2,0,0,0,0|1,0,0]=3 783 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0965SB1186 [0,2,0,0,0,0|1,0,0]=3 784 B17R1.741 Cc1ccc(cc1)C=CC(=O)NCCCCO WXVL_AK0075SB0060 [0,2,0,0,0,0|1,0,0]=3 785 B17R1.741 Cc1ccc(cc1)C=CC(=O)NCCCCO WXVL_AK0075SB0060 [0,2,0,0,0,0|1,0,0]=3 786 B17R1.741 O=C(/C=C/c1ccc(cc1)O)NCCCCO WXVL_AK0075SB0418 [0,2,0,0,0,0|1,0,0]=3 787 B17R1.741 O=C(/C=C/c1ccc(cc1)O)NCCCCO WXVL_AK0075SB0418 [0,2,0,0,0,0|1,0,0]=3 788 B17R1.741 O=C(C=Cc1ccc(cc1)Br)NCCCCO WXVL_AK0075SB1122 [0,2,0,0,0,0|1,0,0]=3 789 B17R1.741 O=C(C=Cc1ccc(cc1)Br)NCCCCO WXVL_AK0075SB1122 [0,2,0,0,0,0|1,0,0]=3 790 B17R1.741 O=C(C=Cc1ccc(cc1)Cl)NCCCCO WXVL_AK0075SB0119 [0,2,0,0,0,0|1,0,0]=3 791 B17R1.741 O=C(C=Cc1ccc(cc1)Cl)NCCCCO WXVL_AK0075SB0119 [0,2,0,0,0,0|1,0,0]=3 792 B17R1.741 O=C(C=Cc1ccc(cc1)F)NCCCCO WXVL_AK0075SB1186 [0,2,0,0,0,0|1,0,0]=3 793 B17R1.741 O=C(C=Cc1ccc(cc1)F)NCCCCO WXVL_AK0075SB1186 [0,2,0,0,0,0|1,0,0]=3 794 B17R1.1079 CC(C)CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0068SB0418 [0,2,0,0,0,0|1,0,0]=3 795 B17R1.1079 CC(C)CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0068SB0418 [0,2,0,0,0,0|1,0,0]=3 796 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0068SB1122 [0,2,0,0,0,0|1,0,0]=3 797 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0068SB1122 [0,2,0,0,0,0|1,0,0]=3 798 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0068SB0119 [0,2,0,0,0,0|1,0,0]=3 799 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0068SB0119 [0,2,0,0,0,0|1,0,0]=3 800 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0068SB1186 [0,2,0,0,0,0|1,0,0]=3 801 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0068SB1186 [0,2,0,0,0,0|1,0,0]=3 802 B17R1.1079 CN(C)CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0058SB0418 [0,2,0,0,0,0|2,0,0]=4 803 B17R1.1079 CN(C)CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0058SB0418 [0,2,0,0,0,0|2,0,0]=4 804 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0058SB1122 [0,2,0,0,0,0|2,0,0]=4 805 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0058SB1122 [0,2,0,0,0,0|2,0,0]=4 806 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0058SB0119 [0,2,0,0,0,0|2,0,0]=4 807 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0058SB0119 [0,2,0,0,0,0|2,0,0]=4 808 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0058SB1186 [0,2,0,0,0,0|2,0,0]=4 809 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0058SB1186 [0,2,0,0,0,0|2,0,0]=4 810 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCC(C)C WXVL_AK0068SB0060 [0,2,0,0,0,0|1,0,0]=3 811 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCC(C)C WXVL_AK0068SB0060 [0,2,0,0,0,0|1,0,0]=3 812 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCN(C)C WXVL_AK0058SB0060 [0,2,0,0,0,0|2,0,0]=4 813 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCN(C)C WXVL_AK0058SB0060 [0,2,0,0,0,0|2,0,0]=4 814 B17R1.1257 CCCCNC(=O)C(=O)Cc1ccc(cc1)O WXVL_AK00588SB2710 [0,2,0,0,0,0|1,0,1]=4 815 B17R1.1257 CCCCNC(=O)C(=O)Cc1ccc(cc1)O WXVL_AK00588SB2710 [0,2,0,0,0,0|1,0,1]=4 816 B17R1.1402 CO[C@H](C)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00704SB0418 [0,2,0,0,0,0|2,0,0]=4 817 B17R1.1402 CO[C@H](C)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00704SB0418 [0,2,0,0,0,0|2,0,0]=4 818 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00704SB1122 [0,2,0,0,0,0|2,0,0]=4 819 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00704SB1122 [0,2,0,0,0,0|2,0,0]=4 820 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)C WXVL_AK00704SB0060 [0,2,0,0,0,0|2,0,0]=4 821 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)C WXVL_AK00704SB0060 [0,2,0,0,0,0|2,0,0]=4 822 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00704SB0119 [0,2,0,0,0,0|2,0,0]=4 823 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00704SB0119 [0,2,0,0,0,0|2,0,0]=4 824 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00704SB1186 [0,2,0,0,0,0|2,0,0]=4 825 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00704SB1186 [0,2,0,0,0,0|2,0,0]=4 826 B17R1.1402 Cc1ccc(cc1)C=CC(=O)NC[C@@H](F)CO WXVL_AK00590SB0060 [0,2,0,0,0,0|2,0,0]=4 827 B17R1.1402 Cc1ccc(cc1)C=CC(=O)NC[C@@H](F)CO WXVL_AK00590SB0060 [0,2,0,0,0,0|2,0,0]=4 828 B17R1.1402 Cc1ccc(cc1)C=CC(=O)NC[C@H](O)CO WXVL_AK00483SB0060 [0,2,0,0,0,0|2,0,0]=4 829 B17R1.1402 Cc1ccc(cc1)C=CC(=O)NC[C@H](O)CO WXVL_AK00483SB0060 [0,2,0,0,0,0|2,0,0]=4 830 B17R1.1402 O=C(/C=C/c1ccc(cc1)O)NC[C@@H](F)CO WXVL_AK00590SB0418 [0,2,0,0,0,0|2,0,0]=4 831 B17R1.1402 O=C(/C=C/c1ccc(cc1)O)NC[C@@H](F)CO WXVL_AK00590SB0418 [0,2,0,0,0,0|2,0,0]=4 832 B17R1.1402 O=C(/C=C/c1ccc(cc1)O)NC[C@H](O)CO WXVL_AK00483SB0418 [0,2,0,0,0,0|2,0,0]=4 833 B17R1.1402 O=C(/C=C/c1ccc(cc1)O)NC[C@H](O)CO WXVL_AK00483SB0418 [0,2,0,0,0,0|2,0,0]=4 834 B17R1.1402 O=C(C=Cc1ccc(cc1)Br)NC[C@@H](F)CO WXVL_AK00590SB1122 [0,2,0,0,0,0|2,0,0]=4 835 B17R1.1402 O=C(C=Cc1ccc(cc1)Br)NC[C@@H](F)CO WXVL_AK00590SB1122 [0,2,0,0,0,0|2,0,0]=4 836 B17R1.1402 O=C(C=Cc1ccc(cc1)Br)NC[C@H](O)CO WXVL_AK00483SB1122 [0,2,0,0,0,0|2,0,0]=4 837 B17R1.1402 O=C(C=Cc1ccc(cc1)Br)NC[C@H](O)CO WXVL_AK00483SB1122 [0,2,0,0,0,0|2,0,0]=4 838 B17R1.1402 O=C(C=Cc1ccc(cc1)Cl)NC[C@@H](F)CO WXVL_AK00590SB0119 [0,2,0,0,0,0|2,0,0]=4 839 B17R1.1402 O=C(C=Cc1ccc(cc1)Cl)NC[C@@H](F)CO WXVL_AK00590SB0119 [0,2,0,0,0,0|2,0,0]=4 840 B17R1.1402 O=C(C=Cc1ccc(cc1)Cl)NC[C@H](O)CO WXVL_AK00483SB0119 [0,2,0,0,0,0|2,0,0]=4 841 B17R1.1402 O=C(C=Cc1ccc(cc1)Cl)NC[C@H](O)CO WXVL_AK00483SB0119 [0,2,0,0,0,0|2,0,0]=4 842 B17R1.1402 O=C(C=Cc1ccc(cc1)F)NC[C@@H](F)CO WXVL_AK00590SB1186 [0,2,0,0,0,0|2,0,0]=4 843 B17R1.1402 O=C(C=Cc1ccc(cc1)F)NC[C@@H](F)CO WXVL_AK00590SB1186 [0,2,0,0,0,0|2,0,0]=4 844 B17R1.1402 O=C(C=Cc1ccc(cc1)F)NC[C@H](O)CO WXVL_AK00483SB1186 [0,2,0,0,0,0|2,0,0]=4 845 B17R1.1402 O=C(C=Cc1ccc(cc1)F)NC[C@H](O)CO WXVL_AK00483SB1186 [0,2,0,0,0,0|2,0,0]=4 846 B17R1.1606 COCCN(C)C(=O)/C=C/c1ccc(cc1)O WXVL_AN0085SB0418 [0,2,0,0,0,0|2,0,0]=4 847 B17R1.1606 COCCN(C)C(=O)/C=C/c1ccc(cc1)O WXVL_AN0085SB0418 [0,2,0,0,0,0|2,0,0]=4 848 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)Br WXVL_AN0085SB1122 [0,2,0,0,0,0|2,0,0]=4 849 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)Br WXVL_AN0085SB1122 [0,2,0,0,0,0|2,0,0]=4 850 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)C WXVL_AN0085SB0060 [0,2,0,0,0,0|2,0,0]=4 851 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)C WXVL_AN0085SB0060 [0,2,0,0,0,0|2,0,0]=4 852 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)Cl WXVL_AN0085SB0119 [0,2,0,0,0,0|2,0,0]=4 853 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)Cl WXVL_AN0085SB0119 [0,2,0,0,0,0|2,0,0]=4 854 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)F WXVL_AN0085SB1186 [0,2,0,0,0,0|2,0,0]=4 855 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)F WXVL_AN0085SB1186 [0,2,0,0,0,0|2,0,0]=4 856 B17R1.1689 CC(CCO)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK1288SB0418 [0,2,0,0,0,0|2,0,0]=4 857 B17R1.1689 CC(CCO)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK1288SB0418 [0,2,0,0,0,0|2,0,0]=4 858 B17R1.1689 CC(CCO)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK1288SB1122 [0,2,0,0,0,0|2,0,0]=4 859 B17R1.1689 CC(CCO)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK1288SB1122 [0,2,0,0,0,0|2,0,0]=4 860 B17R1.1689 CC(CCO)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK1288SB0119 [0,2,0,0,0,0|2,0,0]=4 861 B17R1.1689 CC(CCO)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK1288SB0119 [0,2,0,0,0,0|2,0,0]=4 862 B17R1.1689 CC(CCO)NC(=O)C=Cc1ccc(cc1)F WXVL_AK1288SB1186 [0,2,0,0,0,0|2,0,0]=4 863 B17R1.1689 CC(CCO)NC(=O)C=Cc1ccc(cc1)F WXVL_AK1288SB1186 [0,2,0,0,0,0|2,0,0]=4 864 B17R1.1689 CCC[C@H](C)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK00682SB0418 [0,2,0,0,0,0|1,0,0]=3 865 B17R1.1689 CCC[C@H](C)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK00682SB0418 [0,2,0,0,0,0|1,0,0]=3 866 B17R1.1689 CCC[C@H](C)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK00682SB1122 [0,2,0,0,0,0|1,0,0]=3 867 B17R1.1689 CCC[C@H](C)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK00682SB1122 [0,2,0,0,0,0|1,0,0]=3 868 B17R1.1689 CCC[C@H](C)NC(=O)C=Cc1ccc(cc1)C WXVL_AK00682SB0060 [0,2,0,0,0,0|1,0,0]=3 869 B17R1.1689 CCC[C@H](C)NC(=O)C=Cc1ccc(cc1)C WXVL_AK00682SB0060 [0,2,0,0,0,0|1,0,0]=3 870 B17R1.1689 CCC[C@H](C)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00682SB0119 [0,2,0,0,0,0|1,0,0]=3 871 B17R1.1689 CCC[C@H](C)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00682SB0119 [0,2,0,0,0,0|1,0,0]=3 872 B17R1.1689 CCC[C@H](C)NC(=O)C=Cc1ccc(cc1)F WXVL_AK00682SB1186 [0,2,0,0,0,0|1,0,0]=3 873 B17R1.1689 CCC[C@H](C)NC(=O)C=Cc1ccc(cc1)F WXVL_AK00682SB1186 [0,2,0,0,0,0|1,0,0]=3 874 B17R1.1689 COC[C@@H](C)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK00613SB0418 [0,2,0,0,0,0|2,0,0]=4 875 B17R1.1689 COC[C@@H](C)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK00613SB0418 [0,2,0,0,0,0|2,0,0]=4 876 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK00613SB1122 [0,2,0,0,0,0|2,0,0]=4 877 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK00613SB1122 [0,2,0,0,0,0|2,0,0]=4 878 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)C WXVL_AK00613SB0060 [0,2,0,0,0,0|2,0,0]=4 879 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)C WXVL_AK00613SB0060 [0,2,0,0,0,0|2,0,0]=4 880 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00613SB0119 [0,2,0,0,0,0|2,0,0]=4 881 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00613SB0119 [0,2,0,0,0,0|2,0,0]=4 882 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)F WXVL_AK00613SB1186 [0,2,0,0,0,0|2,0,0]=4 883 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)F WXVL_AK00613SB1186 [0,2,0,0,0,0|2,0,0]=4 884 B17R1.1689 COC[C@H](C)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK0137SB0418 [0,2,0,0,0,0|2,0,0]=4 885 B17R1.1689 COC[C@H](C)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK0137SB0418 [0,2,0,0,0,0|2,0,0]=4 886 B17R1.1689 COC[C@H](C)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK0137SB1122 [0,2,0,0,0,0|2,0,0]=4 887 B17R1.1689 COC[C@H](C)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK0137SB1122 [0,2,0,0,0,0|2,0,0]=4 888 B17R1.1689 COC[C@H](C)NC(=O)C=Cc1ccc(cc1)C WXVL_AK0137SB0060 [0,2,0,0,0,0|2,0,0]=4 889 B17R1.1689 COC[C@H](C)NC(=O)C=Cc1ccc(cc1)C WXVL_AK0137SB0060 [0,2,0,0,0,0|2,0,0]=4 890 B17R1.1689 COC[C@H](C)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0137SB0119 [0,2,0,0,0,0|2,0,0]=4 891 B17R1.1689 COC[C@H](C)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0137SB0119 [0,2,0,0,0,0|2,0,0]=4 892 B17R1.1689 COC[C@H](C)NC(=O)C=Cc1ccc(cc1)F WXVL_AK0137SB1186 [0,2,0,0,0,0|2,0,0]=4 893 B17R1.1689 COC[C@H](C)NC(=O)C=Cc1ccc(cc1)F WXVL_AK0137SB1186 [0,2,0,0,0,0|2,0,0]=4 894 B17R1.1689 Cc1ccc(cc1)C=CC(=O)NC(C)CCO WXVL_AK1288SB0060 [0,2,0,0,0,0|2,0,0]=4 895 B17R1.1689 Cc1ccc(cc1)C=CC(=O)NC(C)CCO WXVL_AK1288SB0060 [0,2,0,0,0,0|2,0,0]=4 896 B17R1.1869 CCCCNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK00588SB5557 [0,2,0,0,0,0|1,0,0]=3 897 B17R1.1869 CCCCNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK00588SB5557 [0,2,0,0,0,0|1,0,0]=3 898 B17R1.1869 CCCCNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK00588SB8094 [0,2,0,0,0,0|1,0,0]=3 899 B17R1.1869 CCCCNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK00588SB8094 [0,2,0,0,0,0|1,0,0]=3 900 B17R1.1869 CCCCNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK00588SB1318 [0,2,0,0,0,0|1,0,0]=3 901 B17R1.1869 CCCCNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK00588SB1318 [0,2,0,0,0,0|1,0,0]=3 902 B17R1.1869 CCCCNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK00588SB1257 [0,2,0,0,0,0|1,0,0]=3 903 B17R1.1869 CCCCNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK00588SB1257 [0,2,0,0,0,0|1,0,0]=3 904 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK00588SB0256 [0,2,0,0,0,0|1,0,0]=3 905 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK00588SB0256 [0,2,0,0,0,0|1,0,0]=3 906 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK00588SB3115 [0,2,0,0,0,0|1,0,0]=3 907 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK00588SB3115 [0,2,0,0,0,0|1,0,0]=3 908 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK00588SB0235 [0,2,0,0,0,0|1,0,0]=3 909 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK00588SB0235 [0,2,0,0,0,0|1,0,0]=3 910 B17R1.1869 CSCCNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK00440SB5557 [0,2,0,0,0,0|2,0,0]=4 911 B17R1.1869 CSCCNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK00440SB5557 [0,2,0,0,0,0|2,0,0]=4 912 B17R1.1869 CSCCNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK00440SB8094 [0,2,0,0,0,0|2,0,0]=4 913 B17R1.1869 CSCCNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK00440SB8094 [0,2,0,0,0,0|2,0,0]=4 914 B17R1.1869 CSCCNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK00440SB1318 [0,2,0,0,0,0|2,0,0]=4 915 B17R1.1869 CSCCNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK00440SB1318 [0,2,0,0,0,0|2,0,0]=4 916 B17R1.1869 CSCCNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK00440SB1257 [0,2,0,0,0,0|2,0,0]=4 917 B17R1.1869 CSCCNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK00440SB1257 [0,2,0,0,0,0|2,0,0]=4 918 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK00440SB0256 [0,2,0,0,0,0|2,0,0]=4 919 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK00440SB0256 [0,2,0,0,0,0|2,0,0]=4 920 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK00440SB3115 [0,2,0,0,0,0|2,0,0]=4 921 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK00440SB3115 [0,2,0,0,0,0|2,0,0]=4 922 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK00440SB0235 [0,2,0,0,0,0|2,0,0]=4 923 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK00440SB0235 [0,2,0,0,0,0|2,0,0]=4 924 B17R1.1869 O=C(/C=C/c1ccc(cc1Cl)Br)NCCCO WXVL_AK0073SB5557 [0,2,0,0,0,0|2,0,0]=4 925 B17R1.1869 O=C(/C=C/c1ccc(cc1Cl)Br)NCCCO WXVL_AK0073SB5557 [0,2,0,0,0,0|2,0,0]=4 926 B17R1.1869 O=C(/C=C/c1ccc(cc1Cl)O)NCCCO WXVL_AK0073SB8094 [0,2,0,0,0,0|2,0,0]=4 927 B17R1.1869 O=C(/C=C/c1ccc(cc1Cl)O)NCCCO WXVL_AK0073SB8094 [0,2,0,0,0,0|2,0,0]=4 928 B17R1.1869 O=C(/C=C/c1ccc(cc1F)Br)NCCCO WXVL_AK0073SB1318 [0,2,0,0,0,0|2,0,0]=4 929 B17R1.1869 O=C(/C=C/c1ccc(cc1F)Br)NCCCO WXVL_AK0073SB1318 [0,2,0,0,0,0|2,0,0]=4 930 B17R1.1869 O=C(/C=C/c1ccc(cc1F)F)NCCCO WXVL_AK0073SB1257 [0,2,0,0,0,0|2,0,0]=4 931 B17R1.1869 O=C(/C=C/c1ccc(cc1F)F)NCCCO WXVL_AK0073SB1257 [0,2,0,0,0,0|2,0,0]=4 932 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)Cl)NCCCO WXVL_AK0073SB0256 [0,2,0,0,0,0|2,0,0]=4 933 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)Cl)NCCCO WXVL_AK0073SB0256 [0,2,0,0,0,0|2,0,0]=4 934 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)F)NCCCO WXVL_AK0073SB3115 [0,2,0,0,0,0|2,0,0]=4 935 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)F)NCCCO WXVL_AK0073SB3115 [0,2,0,0,0,0|2,0,0]=4 936 B17R1.1869 O=C(C=Cc1ccc(cc1F)Cl)NCCCO WXVL_AK0073SB0235 [0,2,0,0,0,0|2,0,0]=4 937 B17R1.1869 O=C(C=Cc1ccc(cc1F)Cl)NCCCO WXVL_AK0073SB0235 [0,2,0,0,0,0|2,0,0]=4 938 B17R1.1871 CCCCNC(=O)/C=C/c1ccc(cc1)OC WXVL_AK00588SB0120 [0,2,0,0,0,0|1,0,0]=3 939 B17R1.1871 CCCCNC(=O)/C=C/c1ccc(cc1)OC WXVL_AK00588SB0120 [0,2,0,0,0,0|1,0,0]=3 940 B17R1.1871 COc1ccc(cc1)/C=C/C(=O)NCCCO WXVL_AK0073SB0120 [0,2,0,0,0,0|2,0,0]=4 941 B17R1.1871 COc1ccc(cc1)/C=C/C(=O)NCCCO WXVL_AK0073SB0120 [0,2,0,0,0,0|2,0,0]=4 942 B17R1.1871 COc1ccc(cc1)/C=C/C(=O)NCCSC WXVL_AK00440SB0120 [0,2,0,0,0,0|2,0,0]=4 943 B17R1.1871 COc1ccc(cc1)/C=C/C(=O)NCCSC WXVL_AK00440SB0120 [0,2,0,0,0,0|2,0,0]=4 944 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK00588SB0118 [0,2,0,0,0,0|1,0,0]=3 945 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK00588SB0118 [0,2,0,0,0,0|1,0,0]=3 946 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK00440SB0118 [0,2,0,0,0,0|2,0,0]=4 947 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK00440SB0118 [0,2,0,0,0,0|2,0,0]=4 948 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)Cl)NCCCO WXVL_AK0073SB0118 [0,2,0,0,0,0|2,0,0]=4 949 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)Cl)NCCCO WXVL_AK0073SB0118 [0,2,0,0,0,0|2,0,0]=4 950 B17R1.742 C#CCCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00218SB1601 [0,2,0,0,0,0|1,0,1]=4 951 B17R1.742 C#CCCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00218SB1601 [0,2,0,0,0,0|1,0,1]=4 952 B17R1.742 C#CCCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00218SB0417 [0,2,0,0,0,0|1,0,1]=4 953 B17R1.742 C#CCCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00218SB0417 [0,2,0,0,0,0|1,0,1]=4 954 B17R1.742 CCCCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0076SB1601 [0,2,0,0,0,0|1,0,0]=3 955 B17R1.742 CCCCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0076SB1601 [0,2,0,0,0,0|1,0,0]=3 956 B17R1.742 CCCCCNC(=O)C=Cc1cccc(c1)O WXVL_AK0076SB0417 [0,2,0,0,0,0|1,0,0]=3 957 B17R1.742 CCCCCNC(=O)C=Cc1cccc(c1)O WXVL_AK0076SB0417 [0,2,0,0,0,0|1,0,0]=3 958 B17R1.742 CCSCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00494SB1601 [0,2,0,0,0,0|1,0,0]=3 959 B17R1.742 CCSCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00494SB1601 [0,2,0,0,0,0|1,0,0]=3 960 B17R1.742 CCSCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00494SB0417 [0,2,0,0,0,0|1,0,0]=3 961 B17R1.742 CCSCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00494SB0417 [0,2,0,0,0,0|1,0,0]=3 962 B17R1.742 COCCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00637SB1601 [0,2,0,0,0,0|1,0,0]=3 963 B17R1.742 COCCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00637SB1601 [0,2,0,0,0,0|1,0,0]=3 964 B17R1.742 COCCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00637SB0417 [0,2,0,0,0,0|1,0,0]=3 965 B17R1.742 COCCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00637SB0417 [0,2,0,0,0,0|1,0,0]=3 966 B17R1.742 CSCCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0965SB1601 [0,2,0,0,0,0|1,0,0]=3 967 B17R1.742 CSCCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0965SB1601 [0,2,0,0,0,0|1,0,0]=3 968 B17R1.742 CSCCCNC(=O)C=Cc1cccc(c1)O WXVL_AK0965SB0417 [0,2,0,0,0,0|1,0,0]=3 969 B17R1.742 CSCCCNC(=O)C=Cc1cccc(c1)O WXVL_AK0965SB0417 [0,2,0,0,0,0|1,0,0]=3 970 B17R1.742 O=C(C=Cc1cccc(c1)Cl)NCCCCO WXVL_AK0075SB1601 [0,2,0,0,0,0|1,0,0]=3 971 B17R1.742 O=C(C=Cc1cccc(c1)Cl)NCCCCO WXVL_AK0075SB1601 [0,2,0,0,0,0|1,0,0]=3 972 B17R1.742 O=C(C=Cc1cccc(c1)O)NCCCCO WXVL_AK0075SB0417 [0,2,0,0,0,0|1,0,0]=3 973 B17R1.742 O=C(C=Cc1cccc(c1)O)NCCCCO WXVL_AK0075SB0417 [0,2,0,0,0,0|1,0,0]=3 974 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00704SB1601 [0,2,0,0,0,0|2,0,0]=4 975 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00704SB1601 [0,2,0,0,0,0|2,0,0]=4 976 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)O WXVL_AK00704SB0417 [0,2,0,0,0,0|2,0,0]=4 977 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)O WXVL_AK00704SB0417 [0,2,0,0,0,0|2,0,0]=4 978 B17R1.1403 O=C(C=Cc1cccc(c1)Cl)NC[C@@H](F)CO WXVL_AK00590SB1601 [0,2,0,0,0,0|2,0,0]=4 979 B17R1.1403 O=C(C=Cc1cccc(c1)Cl)NC[C@@H](F)CO WXVL_AK00590SB1601 [0,2,0,0,0,0|2,0,0]=4 980 B17R1.1403 O=C(C=Cc1cccc(c1)Cl)NC[C@H](O)CO WXVL_AK00483SB1601 [0,2,0,0,0,0|2,0,0]=4 981 B17R1.1403 O=C(C=Cc1cccc(c1)Cl)NC[C@H](O)CO WXVL_AK00483SB1601 [0,2,0,0,0,0|2,0,0]=4 982 B17R1.1403 O=C(C=Cc1cccc(c1)O)NC[C@@H](F)CO WXVL_AK00590SB0417 [0,2,0,0,0,0|2,0,0]=4 983 B17R1.1403 O=C(C=Cc1cccc(c1)O)NC[C@@H](F)CO WXVL_AK00590SB0417 [0,2,0,0,0,0|2,0,0]=4 984 B17R1.1403 O=C(C=Cc1cccc(c1)O)NC[C@H](O)CO WXVL_AK00483SB0417 [0,2,0,0,0,0|2,0,0]=4 985 B17R1.1403 O=C(C=Cc1cccc(c1)O)NC[C@H](O)CO WXVL_AK00483SB0417 [0,2,0,0,0,0|2,0,0]=4 986 B17R1.1607 COCCN(C)C(=O)C=Cc1cccc(c1)Cl WXVL_AN0085SB1601 [0,2,0,0,0,0|2,0,0]=4 987 B17R1.1607 COCCN(C)C(=O)C=Cc1cccc(c1)Cl WXVL_AN0085SB1601 [0,2,0,0,0,0|2,0,0]=4 988 B17R1.1607 COCCN(C)C(=O)C=Cc1cccc(c1)O WXVL_AN0085SB0417 [0,2,0,0,0,0|2,0,0]=4 989 B17R1.1607 COCCN(C)C(=O)C=Cc1cccc(c1)O WXVL_AN0085SB0417 [0,2,0,0,0,0|2,0,0]=4 990 B17R1.1690 CC(CCO)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK1288SB1601 [0,2,0,0,0,0|2,0,0]=4 991 B17R1.1690 CC(CCO)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK1288SB1601 [0,2,0,0,0,0|2,0,0]=4 992 B17R1.1690 CC(CCO)NC(=O)C=Cc1cccc(c1)O WXVL_AK1288SB0417 [0,2,0,0,0,0|2,0,0]=4 993 B17R1.1690 CC(CCO)NC(=O)C=Cc1cccc(c1)O WXVL_AK1288SB0417 [0,2,0,0,0,0|2,0,0]=4 994 B17R1.1690 CCC[C@H](C)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK00682SB1601 [0,2,0,0,0,0|1,0,0]=3 995 B17R1.1690 CCC[C@H](C)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK00682SB1601 [0,2,0,0,0,0|1,0,0]=3 996 B17R1.1690 CCC[C@H](C)NC(=O)C=Cc1cccc(c1)O WXVL_AK00682SB0417 [0,2,0,0,0,0|1,0,0]=3 997 B17R1.1690 CCC[C@H](C)NC(=O)C=Cc1cccc(c1)O WXVL_AK00682SB0417 [0,2,0,0,0,0|1,0,0]=3 998 B17R1.1690 COC[C@@H](C)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK00613SB1601 [0,2,0,0,0,0|2,0,0]=4 999 B17R1.1690 COC[C@@H](C)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK00613SB1601 [0,2,0,0,0,0|2,0,0]=4 1000 B17R1.1690 COC[C@@H](C)NC(=O)C=Cc1cccc(c1)O WXVL_AK00613SB0417 [0,2,0,0,0,0|2,0,0]=4 1001 B17R1.1690 COC[C@@H](C)NC(=O)C=Cc1cccc(c1)O WXVL_AK00613SB0417 [0,2,0,0,0,0|2,0,0]=4 1002 B17R1.1690 COC[C@H](C)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK0137SB1601 [0,2,0,0,0,0|2,0,0]=4 1003 B17R1.1690 COC[C@H](C)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK0137SB1601 [0,2,0,0,0,0|2,0,0]=4 1004 B17R1.1690 COC[C@H](C)NC(=O)C=Cc1cccc(c1)O WXVL_AK0137SB0417 [0,2,0,0,0,0|2,0,0]=4 1005 B17R1.1690 COC[C@H](C)NC(=O)C=Cc1cccc(c1)O WXVL_AK0137SB0417 [0,2,0,0,0,0|2,0,0]=4 1006 B17R1.3343 CCCCNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK00588SB2454 [0,2,0,0,0,0|1,0,0]=3 1007 B17R1.3343 CCCCNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK00588SB2454 [0,2,0,0,0,0|1,0,0]=3 1008 B17R1.3343 CCCCNC(=O)C=Cc1cccc(c1)OC WXVL_AK00588SB0458 [0,2,0,0,0,0|1,0,0]=3 1009 B17R1.3343 CCCCNC(=O)C=Cc1cccc(c1)OC WXVL_AK00588SB0458 [0,2,0,0,0,0|1,0,0]=3 1010 B17R1.3343 COc1cccc(c1)C=CC(=O)NCCCO WXVL_AK0073SB0458 [0,2,0,0,0,0|2,0,0]=4 1011 B17R1.3343 COc1cccc(c1)C=CC(=O)NCCCO WXVL_AK0073SB0458 [0,2,0,0,0,0|2,0,0]=4 1012 B17R1.3343 COc1cccc(c1)C=CC(=O)NCCSC WXVL_AK00440SB0458 [0,2,0,0,0,0|2,0,0]=4 1013 B17R1.3343 COc1cccc(c1)C=CC(=O)NCCSC WXVL_AK00440SB0458 [0,2,0,0,0,0|2,0,0]=4 1014 B17R1.3343 CSCCNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK00440SB2454 [0,2,0,0,0,0|2,0,0]=4 1015 B17R1.3343 CSCCNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK00440SB2454 [0,2,0,0,0,0|2,0,0]=4 1016 B17R1.3343 N#Cc1cccc(c1)/C=C/C(=O)NCCCO WXVL_AK0073SB2454 [0,2,0,0,0,0|2,0,0]=4 1017 B17R1.3343 N#Cc1cccc(c1)/C=C/C(=O)NCCCO WXVL_AK0073SB2454 [0,2,0,0,0,0|2,0,0]=4 1018 B17R1.6343 CCCCNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK00588SB1124 [0,2,0,0,0,0|1,0,0]=3 1019 B17R1.6343 CCCCNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK00588SB1124 [0,2,0,0,0,0|1,0,0]=3 1020 B17R1.6343 CSCCNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK00440SB1124 [0,2,0,0,0,0|2,0,0]=4 1021 B17R1.6343 CSCCNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK00440SB1124 [0,2,0,0,0,0|2,0,0]=4 1022 B17R1.6343 O=C(C=Cc1cc(cc(c1)F)F)NCCCO WXVL_AK0073SB1124 [0,2,0,0,0,0|2,0,0]=4 1023 B17R1.6343 O=C(C=Cc1cc(cc(c1)F)F)NCCCO WXVL_AK0073SB1124 [0,2,0,0,0,0|2,0,0]=4 1024 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0068SB1601 [0,2,0,0,0,0|1,0,0]=3 1025 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0068SB1601 [0,2,0,0,0,0|1,0,0]=3 1026 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)O WXVL_AK0068SB0417 [0,2,0,0,0,0|1,0,0]=3 1027 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)O WXVL_AK0068SB0417 [0,2,0,0,0,0|1,0,0]=3 1028 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0058SB1601 [0,2,0,0,0,0|2,0,0]=4 1029 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0058SB1601 [0,2,0,0,0,0|2,0,0]=4 1030 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)O WXVL_AK0058SB0417 [0,2,0,0,0,0|2,0,0]=4 1031 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)O WXVL_AK0058SB0417 [0,2,0,0,0,0|2,0,0]=4 1032 B17R1.1218 CC(CO)CCNC(=O)/C=C/c1ccccc1 WXVL_AK4143SB0115 [0,2,0,0,0,0|1,0,0]=3 1033 B17R1.1218 CC(CO)CCNC(=O)/C=C/c1ccccc1 WXVL_AK4143SB0115 [0,2,0,0,0,0|1,0,0]=3 1034 B17R1.1218 CC(CO)CCNC(=O)/C=C/c1cccnc1 WXVL_AK4143SA0193 [0,2,0,0,0,0|2,0,0]=4 1035 B17R1.1218 CC(CO)CCNC(=O)/C=C/c1cccnc1 WXVL_AK4143SA0193 [0,2,0,0,0,0|2,0,0]=4 1036 B17R1.5010 CN(C)CCN(C)C(=O)/C=C/c1ccccc1 WXVL_AN0052SB0115 [0,2,0,0,0,0|2,0,0]=4 1037 B17R1.5010 CN(C)CCN(C)C(=O)/C=C/c1ccccc1 WXVL_AN0052SB0115 [0,2,0,0,0,0|2,0,0]=4 1038 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Br WXVL_AK0068SB3065 [0,2,0,0,0,0|1,0,0]=3 1039 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Br WXVL_AK0068SB3065 [0,2,0,0,0,0|1,0,0]=3 1040 B17R1.9015 CN(C)CCNC(=O)C=Cc1ccccc1Br WXVL_AK0058SB3065 [0,2,0,0,0,0|2,0,0]=4 1041 B17R1.9015 CN(C)CCNC(=O)C=Cc1ccccc1Br WXVL_AK0058SB3065 [0,2,0,0,0,0|2,0,0]=4 1042 B17R1.9289 C/C(=C\c1cccnc1)/C(=O)NCCC(C)C WXVL_AK0068SA1933 [0,2,0,0,0,0|2,0,0]=4 1043 B17R1.9289 C/C(=C\c1cccnc1)/C(=O)NCCC(C)C WXVL_AK0068SA1933 [0,2,0,0,0,0|2,0,0]=4 1044 B17R1.9289 C=C(Cc1ccccc1)C(=O)NCCC(C)C WXVL_AK0068SB0413 [0,2,0,0,0,0|1,0,1]=4 1045 B17R1.9289 C=C(Cc1ccccc1)C(=O)NCCC(C)C WXVL_AK0068SB0413 [0,2,0,0,0,0|1,0,1]=4 1046 B17R1.16221 CC(C)CCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0068HU0026 [0,2,0,0,0,0|2,0,0]=4 1047 B17R1.16221 CC(C)CCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0068HU0026 [0,2,0,0,0,0|2,0,0]=4 1048 B17R1.16524 CC(CN(C)C)NC(=O)/C=C/c1ccccc1 WXVL_AK0938SB0115 [0,2,0,0,0,0|2,0,0]=4 1049 B17R1.16524 CC(CN(C)C)NC(=O)/C=C/c1ccccc1 WXVL_AK0938SB0115 [0,2,0,0,0,0|2,0,0]=4 1050 B17R1.40529 CC(C)(O)CCNC(=O)/C=C/c1ccccc1 WXVL_AK1558SB0115 [0,2,0,0,0,0|1,0,0]=3 1051 B17R1.40529 CC(C)(O)CCNC(=O)/C=C/c1ccccc1 WXVL_AK1558SB0115 [0,2,0,0,0,0|1,0,0]=3 1052 B17R1.40529 CC(C)(O)CCNC(=O)/C=C/c1cccnc1 WXVL_AK1558SA0193 [0,2,0,0,0,0|2,0,0]=4 1053 B17R1.40529 CC(C)(O)CCNC(=O)/C=C/c1cccnc1 WXVL_AK1558SA0193 [0,2,0,0,0,0|2,0,0]=4 1054 B17R1.40529 CS(=O)(=O)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0333SB0115 [0,2,0,0,0,0|2,0,0]=4 1055 B17R1.40529 CS(=O)(=O)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0333SB0115 [0,2,0,0,0,0|2,0,0]=4 1056 B17R1.40529 O=C(/C=C/c1ccccc1)NCCC(F)(F)F WXVL_AK0145SB0115 [0,2,0,0,0,0|2,0,0]=4 1057 B17R1.40529 O=C(/C=C/c1ccccc1)NCCC(F)(F)F WXVL_AK0145SB0115 [0,2,0,0,0,0|2,0,0]=4 1058 B17R1.1287 C#CCCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00614SB0115 [0,2,0,0,0,0|1,0,0]=3 1059 B17R1.1287 C#CCCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00614SB0115 [0,2,0,0,0,0|1,0,0]=3 1060 B17R1.1287 C#CCCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00614SA0193 [0,2,0,0,0,0|2,0,0]=4 1061 B17R1.1287 C#CCCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00614SA0193 [0,2,0,0,0,0|2,0,0]=4 1062 B17R1.1287 C#CCOCCNC(=O)/C=C/c1ccccc1 WXVL_AK00687SB0115 [0,2,0,0,0,0|1,0,1]=4 1063 B17R1.1287 C#CCOCCNC(=O)/C=C/c1ccccc1 WXVL_AK00687SB0115 [0,2,0,0,0,0|1,0,1]=4 1064 B17R1.1287 C=COCCCNC(=O)/C=C/c1ccccc1 WXVL_AK7221SB0115 [0,2,0,0,0,0|1,0,1]=4 1065 B17R1.1287 C=COCCCNC(=O)/C=C/c1ccccc1 WXVL_AK7221SB0115 [0,2,0,0,0,0|1,0,1]=4 1066 B17R1.1287 CCCCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0286SB0115 [0,2,0,0,0,0|1,0,0]=3 1067 B17R1.1287 CCCCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0286SB0115 [0,2,0,0,0,0|1,0,0]=3 1068 B17R1.1287 CCCCCCNC(=O)/C=C/c1cccnc1 WXVL_AK0286SA0193 [0,2,0,0,0,0|2,0,0]=4 1069 B17R1.1287 CCCCCCNC(=O)/C=C/c1cccnc1 WXVL_AK0286SA0193 [0,2,0,0,0,0|2,0,0]=4 1070 B17R1.1287 CCOCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0072SB0115 [0,2,0,0,0,0|1,0,0]=3 1071 B17R1.1287 CCOCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0072SB0115 [0,2,0,0,0,0|1,0,0]=3 1072 B17R1.1287 CCOCCCNC(=O)/C=C/c1cccnc1 WXVL_AK0072SA0193 [0,2,0,0,0,0|2,0,0]=4 1073 B17R1.1287 CCOCCCNC(=O)/C=C/c1cccnc1 WXVL_AK0072SA0193 [0,2,0,0,0,0|2,0,0]=4 1074 B17R1.1287 O=C(/C=C/c1ccccc1)NCCCCCO WXVL_AK0077SB0115 [0,2,0,0,0,0|1,0,0]=3 1075 B17R1.1287 O=C(/C=C/c1ccccc1)NCCCCCO WXVL_AK0077SB0115 [0,2,0,0,0,0|1,0,0]=3 1076 B17R1.1287 O=C(/C=C/c1ccccc1)NCCNCCO WXVL_AK0954SB0115 [0,2,0,0,0,0|1,0,0]=3 1077 B17R1.1287 O=C(/C=C/c1ccccc1)NCCNCCO WXVL_AK0954SB0115 [0,2,0,0,0,0|1,0,0]=3 1078 B17R1.1287 O=C(/C=C/c1cccnc1)NCCCCCO WXVL_AK0077SA0193 [0,2,0,0,0,0|2,0,0]=4 1079 B17R1.1287 O=C(/C=C/c1cccnc1)NCCCCCO WXVL_AK0077SA0193 [0,2,0,0,0,0|2,0,0]=4 1080 B17R1.1287 O=C(/C=C/c1cccnc1)NCCNCCO WXVL_AK0954SA0193 [0,2,0,0,0,0|2,0,0]=4 1081 B17R1.1287 O=C(/C=C/c1cccnc1)NCCNCCO WXVL_AK0954SA0193 [0,2,0,0,0,0|2,0,0]=4 1082 B17R1.1324 CC(=O)NCCNC(=O)/C=C/c1ccccc1 WXVL_AK0057SB0115 [0,2,0,0,0,0|1,0,1]=4 1083 B17R1.1324 CC(=O)NCCNC(=O)/C=C/c1ccccc1 WXVL_AK0057SB0115 [0,2,0,0,0,0|1,0,1]=4 1084 B17R1.1324 CC(C)OCCNC(=O)/C=C/c1ccccc1 WXVL_AK0128SB0115 [0,2,0,0,0,0|1,0,0]=3 1085 B17R1.1324 CC(C)OCCNC(=O)/C=C/c1ccccc1 WXVL_AK0128SB0115 [0,2,0,0,0,0|1,0,0]=3 1086 B17R1.1324 CC(C)OCCNC(=O)/C=C/c1cccnc1 WXVL_AK0128SA0193 [0,2,0,0,0,0|2,0,0]=4 1087 B17R1.1324 CC(C)OCCNC(=O)/C=C/c1cccnc1 WXVL_AK0128SA0193 [0,2,0,0,0,0|2,0,0]=4 1088 B17R1.1448 C/C(=C\c1cccnc1)/C(=O)NCCCCO WXVL_AK0075SA1933 [0,2,0,0,0,0|2,0,0]=4 1089 B17R1.1448 C/C(=C\c1cccnc1)/C(=O)NCCCCO WXVL_AK0075SA1933 [0,2,0,0,0,0|2,0,0]=4 1090 B17R1.1448 C=C(Cc1ccccc1)C(=O)NCCCCC WXVL_AK0076SB0413 [0,2,0,0,0,0|1,0,1]=4 1091 B17R1.1448 C=C(Cc1ccccc1)C(=O)NCCCCC WXVL_AK0076SB0413 [0,2,0,0,0,0|1,0,1]=4 1092 B17R1.1448 C=C(Cc1ccccc1)C(=O)NCCCCO WXVL_AK0075SB0413 [0,2,0,0,0,0|1,0,1]=4 1093 B17R1.1448 C=C(Cc1ccccc1)C(=O)NCCCCO WXVL_AK0075SB0413 [0,2,0,0,0,0|1,0,1]=4 1094 B17R1.1448 C=C(Cc1ccccc1)C(=O)NCCCOC WXVL_AK00637SB0413 [0,2,0,0,0,0|1,0,1]=4 1095 B17R1.1448 C=C(Cc1ccccc1)C(=O)NCCCOC WXVL_AK00637SB0413 [0,2,0,0,0,0|1,0,1]=4 1096 B17R1.1448 C=C(Cc1ccccc1)C(=O)NCCCSC WXVL_AK0965SB0413 [0,2,0,0,0,0|1,0,1]=4 1097 B17R1.1448 C=C(Cc1ccccc1)C(=O)NCCCSC WXVL_AK0965SB0413 [0,2,0,0,0,0|1,0,1]=4 1098 B17R1.1448 C=C(Cc1ccccc1)C(=O)NCCSCC WXVL_AK00494SB0413 [0,2,0,0,0,0|1,0,1]=4 1099 B17R1.1448 C=C(Cc1ccccc1)C(=O)NCCSCC WXVL_AK00494SB0413 [0,2,0,0,0,0|1,0,1]=4 1100 B17R1.1448 CCCCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK0076SA1933 [0,2,0,0,0,0|2,0,0]=4 1101 B17R1.1448 CCCCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK0076SA1933 [0,2,0,0,0,0|2,0,0]=4 1102 B17R1.1448 CCSCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00494SA1933 [0,2,0,0,0,0|2,0,0]=4 1103 B17R1.1448 CCSCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00494SA1933 [0,2,0,0,0,0|2,0,0]=4 1104 B17R1.1448 COCCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00637SA1933 [0,2,0,0,0,0|2,0,0]=4 1105 B17R1.1448 COCCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00637SA1933 [0,2,0,0,0,0|2,0,0]=4 1106 B17R1.1448 CSCCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK0965SA1933 [0,2,0,0,0,0|2,0,0]=4 1107 B17R1.1448 CSCCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK0965SA1933 [0,2,0,0,0,0|2,0,0]=4 1108 B17R1.5074 C#CCCCNC(=O)C=Cc1ccccc1Br WXVL_AK00218SB3065 [0,2,0,0,0,0|1,0,1]=4 1109 B17R1.5074 C#CCCCNC(=O)C=Cc1ccccc1Br WXVL_AK00218SB3065 [0,2,0,0,0,0|1,0,1]=4 1110 B17R1.5074 CCCCCNC(=O)C=Cc1ccccc1Br WXVL_AK0076SB3065 [0,2,0,0,0,0|1,0,0]=3 1111 B17R1.5074 CCCCCNC(=O)C=Cc1ccccc1Br WXVL_AK0076SB3065 [0,2,0,0,0,0|1,0,0]=3 1112 B17R1.5074 CCSCCNC(=O)C=Cc1ccccc1Br WXVL_AK00494SB3065 [0,2,0,0,0,0|1,0,0]=3 1113 B17R1.5074 CCSCCNC(=O)C=Cc1ccccc1Br WXVL_AK00494SB3065 [0,2,0,0,0,0|1,0,0]=3 1114 B17R1.5074 COCCCNC(=O)C=Cc1ccccc1Br WXVL_AK00637SB3065 [0,2,0,0,0,0|1,0,0]=3 1115 B17R1.5074 COCCCNC(=O)C=Cc1ccccc1Br WXVL_AK00637SB3065 [0,2,0,0,0,0|1,0,0]=3 1116 B17R1.5074 CSCCCNC(=O)C=Cc1ccccc1Br WXVL_AK0965SB3065 [0,2,0,0,0,0|1,0,0]=3 1117 B17R1.5074 CSCCCNC(=O)C=Cc1ccccc1Br WXVL_AK0965SB3065 [0,2,0,0,0,0|1,0,0]=3 1118 B17R1.5074 O=C(C=Cc1ccccc1Br)NCCCCO WXVL_AK0075SB3065 [0,2,0,0,0,0|1,0,0]=3 1119 B17R1.5074 O=C(C=Cc1ccccc1Br)NCCCCO WXVL_AK0075SB3065 [0,2,0,0,0,0|1,0,0]=3 1120 B17R1.10884 CCCCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0076HU0026 [0,2,0,0,0,0|2,0,0]=4 1121 B17R1.10884 CCCCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0076HU0026 [0,2,0,0,0,0|2,0,0]=4 1122 B17R1.10884 CCSCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00494HU0026 [0,2,0,0,0,0|2,0,0]=4 1123 B17R1.10884 CCSCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00494HU0026 [0,2,0,0,0,0|2,0,0]=4 1124 B17R1.10884 COCCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00637HU0026 [0,2,0,0,0,0|2,0,0]=4 1125 B17R1.10884 COCCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00637HU0026 [0,2,0,0,0,0|2,0,0]=4 1126 B17R1.10884 CSCCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0965HU0026 [0,2,0,0,0,0|2,0,0]=4 1127 B17R1.10884 CSCCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0965HU0026 [0,2,0,0,0,0|2,0,0]=4 1128 B17R1.10884 O=S(=O)(/C=C/c1ccccc1)NCCCCO WXVL_AK0075HU0026 [0,2,0,0,0,0|2,0,0]=4 1129 B17R1.10884 O=S(=O)(/C=C/c1ccccc1)NCCCCO WXVL_AK0075HU0026 [0,2,0,0,0,0|2,0,0]=4 1130 B17R1.951 C=C(Cc1ccccc1)C(=O)N[C@@H](C)CCC WXVL_AK00682SB0413 [0,2,0,0,0,0|1,0,1]=4 1131 B17R1.951 C=C(Cc1ccccc1)C(=O)N[C@@H](C)CCC WXVL_AK00682SB0413 [0,2,0,0,0,0|1,0,1]=4 1132 B17R1.951 CCC[C@H](C)NC(=O)/C(=C/c1cccnc1)/C WXVL_AK00682SA1933 [0,2,0,0,0,0|2,0,0]=4 1133 B17R1.951 CCC[C@H](C)NC(=O)/C(=C/c1cccnc1)/C WXVL_AK00682SA1933 [0,2,0,0,0,0|2,0,0]=4 1134 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1Br WXVL_AK00704SB3065 [0,2,0,0,0,0|2,0,0]=4 1135 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1Br WXVL_AK00704SB3065 [0,2,0,0,0,0|2,0,0]=4 1136 B17R1.9042 O=C(C=Cc1ccccc1Br)NC[C@@H](F)CO WXVL_AK00590SB3065 [0,2,0,0,0,0|2,0,0]=4 1137 B17R1.9042 O=C(C=Cc1ccccc1Br)NC[C@@H](F)CO WXVL_AK00590SB3065 [0,2,0,0,0,0|2,0,0]=4 1138 B17R1.9042 O=C(C=Cc1ccccc1Br)NC[C@H](O)CO WXVL_AK00483SB3065 [0,2,0,0,0,0|2,0,0]=4 1139 B17R1.9042 O=C(C=Cc1ccccc1Br)NC[C@H](O)CO WXVL_AK00483SB3065 [0,2,0,0,0,0|2,0,0]=4 1140 B17R1.13184 CC(C)(CO)CNC(=O)/C=C/c1ccccc1 WXVL_AK0104SB0115 [0,2,0,0,0,0|2,0,0]=4 1141 B17R1.13184 CC(C)(CO)CNC(=O)/C=C/c1ccccc1 WXVL_AK0104SB0115 [0,2,0,0,0,0|2,0,0]=4 1142 B17R1.9122 COCCN(C)C(=O)C=Cc1ccccc1Br WXVL_AN0085SB3065 [0,2,0,0,0,0|2,0,0]=4 1143 B17R1.9122 COCCN(C)C(=O)C=Cc1ccccc1Br WXVL_AN0085SB3065 [0,2,0,0,0,0|2,0,0]=4 1144 B17R1.4571 CC(CCO)NC(=O)C=Cc1ccccc1Br WXVL_AK1288SB3065 [0,2,0,0,0,0|2,0,0]=4 1145 B17R1.4571 CC(CCO)NC(=O)C=Cc1ccccc1Br WXVL_AK1288SB3065 [0,2,0,0,0,0|2,0,0]=4 1146 B17R1.4571 CCC[C@H](C)NC(=O)C=Cc1ccccc1Br WXVL_AK00682SB3065 [0,2,0,0,0,0|1,0,0]=3 1147 B17R1.4571 CCC[C@H](C)NC(=O)C=Cc1ccccc1Br WXVL_AK00682SB3065 [0,2,0,0,0,0|1,0,0]=3 1148 B17R1.4571 COC[C@@H](C)NC(=O)C=Cc1ccccc1Br WXVL_AK00613SB3065 [0,2,0,0,0,0|2,0,0]=4 1149 B17R1.4571 COC[C@@H](C)NC(=O)C=Cc1ccccc1Br WXVL_AK00613SB3065 [0,2,0,0,0,0|2,0,0]=4 1150 B17R1.4571 COC[C@H](C)NC(=O)C=Cc1ccccc1Br WXVL_AK0137SB3065 [0,2,0,0,0,0|2,0,0]=4 1151 B17R1.4571 COC[C@H](C)NC(=O)C=Cc1ccccc1Br WXVL_AK0137SB3065 [0,2,0,0,0,0|2,0,0]=4 1152 B17R1.6234 CCC[C@@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK2551SB0115 [0,2,0,0,0,0|1,0,0]=3 1153 B17R1.6234 CCC[C@@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK2551SB0115 [0,2,0,0,0,0|1,0,0]=3 1154 B17R1.6234 CCC[C@@H](CO)NC(=O)/C=C/c1cccnc1 WXVL_AK2551SA0193 [0,2,0,0,0,0|2,0,0]=4 1155 B17R1.6234 CCC[C@@H](CO)NC(=O)/C=C/c1cccnc1 WXVL_AK2551SA0193 [0,2,0,0,0,0|2,0,0]=4 1156 B17R1.30847 CCC[C@H](C)NS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00682HU0026 [0,2,0,0,0,0|2,0,0]=4 1157 B17R1.30847 CCC[C@H](C)NS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00682HU0026 [0,2,0,0,0,0|2,0,0]=4 1158 B17R1.114992 COCC(C)(C)NC(=O)/C=C/c1ccccc1 WXVL_AK1295SB0115 [0,2,0,0,0,0|2,0,0]=4 1159 B17R1.114992 COCC(C)(C)NC(=O)/C=C/c1ccccc1 WXVL_AK1295SB0115 [0,2,0,0,0,0|2,0,0]=4 1160 B15R2.505 CC1CC1C(=O)NCc2ccccc2 WXVL_AK00502SB0041 [1,0,0,1,0,0|1,0,1]=4 1161 B15R2.505 CC1CC1C(=O)NCc2ccccc2 WXVL_AK00502SB0041 [1,0,0,1,0,0|1,0,1]=4 1162 B15R2.24490 O=C(NCc1ccccc1)C2CCC2 WXVL_AK00502SB0042 [1,0,0,1,0,0|1,0,1]=4 1163 B15R2.24490 O=C(NCc1ccccc1)C2CCC2 WXVL_AK00502SB0042 [1,0,0,1,0,0|1,0,1]=4 1164 B15R2.24494 O=C(/C=C/c1ccccc1)NC2CC2 WXVL_AK0001SB0115 [1,0,0,1,0,0|1,0,0]=3 1165 B15R2.24494 O=C(/C=C/c1ccccc1)NC2CC2 WXVL_AK0001SB0115 [1,0,0,1,0,0|1,0,0]=3 1166 B15R2.24494 O=C(/C=C/c1cccnc1)NC2CC2 WXVL_AK0001SA0193 [1,0,0,1,0,0|2,0,0]=4 1167 B15R2.24494 O=C(/C=C/c1cccnc1)NC2CC2 WXVL_AK0001SA0193 [1,0,0,1,0,0|2,0,0]=4 1168 B15R2.24494 O=C(CC1CC1)NCc2ccccc2 WXVL_AK00502SB0155 [1,0,0,1,0,0|1,0,1]=4 1169 B15R2.24494 O=C(CC1CC1)NCc2ccccc2 WXVL_AK00502SB0155 [1,0,0,1,0,0|1,0,1]=4 1170 B15R2.3989 O=C(/C=C/c1ccco1)N2CCCC2 WXVL_AN0008SA0180 [0,0,0,1,1,0|2,0,0]=4 1171 B15R2.3989 O=C(/C=C/c1ccco1)N2CCCC2 WXVL_AN0008SA0180 [0,0,0,1,1,0|2,0,0]=4 1172 B15R2.3989 O=C(/C=C/c1cccs1)N2CCCC2 WXVL_AN0008SA0001 [0,0,0,1,1,0|2,0,0]=4 1173 B15R2.3989 O=C(/C=C/c1cccs1)N2CCCC2 WXVL_AN0008SA0001 [0,0,0,1,1,0|2,0,0]=4 1174 B15R2.3989 O=C(/C=C/c1ccoc1)N2CCCC2 WXVL_AN0008SA0047 [0,0,0,1,1,0|2,0,0]=4 1175 B15R2.3989 O=C(/C=C/c1ccoc1)N2CCCC2 WXVL_AN0008SA0047 [0,0,0,1,1,0|2,0,0]=4 1176 B15R2.3989 O=C(/C=C/c1ccsc1)N2CCCC2 WXVL_AN0008SA0251 [0,0,0,1,1,0|2,0,0]=4 1177 B15R2.3989 O=C(/C=C/c1ccsc1)N2CCCC2 WXVL_AN0008SA0251 [0,0,0,1,1,0|2,0,0]=4 1178 B15R2.64 O=C(Cc1ccccc1)N2CCCC2 WXVL_AN0008SB0092 [0,0,0,1,1,0|1,0,1]=4 1179 B15R2.64 O=C(Cc1ccccc1)N2CCCC2 WXVL_AN0008SB0092 [0,0,0,1,1,0|1,0,1]=4 1180 B15R2.64 O=C(Nc1ccccc1)C2CCCC2 WXVL_AG00183SB0043 [0,0,0,1,1,0|2,0,0]=4 1181 B15R2.64 O=C(Nc1ccccc1)C2CCCC2 WXVL_AG00183SB0043 [0,0,0,1,1,0|2,0,0]=4 1182 B15R2.1256 O=C(CCC1CC1)Nc2ccccc2 WXVL_AG00183SB5360 [0,0,0,1,1,0|2,0,0]=4 1183 B15R2.1256 O=C(CCC1CC1)Nc2ccccc2 WXVL_AG00183SB5360 [0,0,0,1,1,0|2,0,0]=4 1184 B15R2.16446 O=C(CC1CCC1)Nc2ccccc2 WXVL_AG00183SB2207 [0,0,0,1,1,0|2,0,0]=4 1185 B15R2.16446 O=C(CC1CCC1)Nc2ccccc2 WXVL_AG00183SB2207 [0,0,0,1,1,0|2,0,0]=4 1186 B17R2.2343 CCCCNC(=O)c1c[nH]c2c1cccn2 WXVL_AK00588SE0048 [0,0,0,1,0,1|2,0,0]=4 1187 B17R2.2343 CCCCNC(=O)c1c[nH]c2c1cccn2 WXVL_AK00588SE0048 [0,0,0,1,0,1|2,0,0]=4 1188 B17R2.2343 CCCCNC(=O)c1c[nH]c2c1ccnc2 WXVL_AK00588SE0638 [0,0,0,1,0,1|2,0,0]=4 1189 B17R2.2343 CCCCNC(=O)c1c[nH]c2c1ccnc2 WXVL_AK00588SE0638 [0,0,0,1,0,1|2,0,0]=4 1190 B17R2.2343 CCCCNC(=O)c1cnc2n1cccc2 WXVL_AK00588SE0102 [0,0,0,1,0,1|2,0,0]=4 1191 B17R2.2343 CCCCNC(=O)c1cnc2n1cccc2 WXVL_AK00588SE0102 [0,0,0,1,0,1|2,0,0]=4 1192 B17R2.2343 CCCCNC(=O)c1cnn2c1cccc2 WXVL_AK00588SE0033 [0,0,0,1,0,1|2,0,0]=4 1193 B17R2.2343 CCCCNC(=O)c1cnn2c1cccc2 WXVL_AK00588SE0033 [0,0,0,1,0,1|2,0,0]=4 1194 B17R2.2343 CCCCNC(=O)c1coc2c1cccc2 WXVL_AK00588SE0302 [0,0,0,1,0,1|1,0,0]=3 1195 B17R2.2343 CCCCNC(=O)c1coc2c1cccc2 WXVL_AK00588SE0302 [0,0,0,1,0,1|1,0,0]=3 1196 B17R2.2343 CCCCNC(=O)c1csc2c1cccc2 WXVL_AK00588SE0108 [0,0,0,1,0,1|1,0,0]=3 1197 B17R2.2343 CCCCNC(=O)c1csc2c1cccc2 WXVL_AK00588SE0108 [0,0,0,1,0,1|1,0,0]=3 1198 B17R2.2343 CCCCNC(=O)c1n[nH]c2c1cccc2 WXVL_AK00588SE0379 [0,0,0,1,0,1|2,0,0]=4 1199 B17R2.2343 CCCCNC(=O)c1n[nH]c2c1cccc2 WXVL_AK00588SE0379 [0,0,0,1,0,1|2,0,0]=4 1200 B17R2.2343 CCCCNC(=O)c1onc2c1cccc2 WXVL_AK00588SE0896 [0,0,0,1,0,1|2,0,0]=4 1201 B17R2.2343 CCCCNC(=O)c1onc2c1cccc2 WXVL_AK00588SE0896 [0,0,0,1,0,1|2,0,0]=4 1202 B17R2.2343 CSCCNC(=O)c1coc2c1cccc2 WXVL_AK00440SE0302 [0,0,0,1,0,1|2,0,0]=4 1203 B17R2.2343 CSCCNC(=O)c1coc2c1cccc2 WXVL_AK00440SE0302 [0,0,0,1,0,1|2,0,0]=4 1204 B17R2.2343 CSCCNC(=O)c1csc2c1cccc2 WXVL_AK00440SE0108 [0,0,0,1,0,1|2,0,0]=4 1205 B17R2.2343 CSCCNC(=O)c1csc2c1cccc2 WXVL_AK00440SE0108 [0,0,0,1,0,1|2,0,0]=4 1206 B17R2.2343 O=C(NCCCO)c1coc2c1cccc2 WXVL_AK0073SE0302 [0,0,0,1,0,1|2,0,0]=4 1207 B17R2.2343 O=C(NCCCO)c1coc2c1cccc2 WXVL_AK0073SE0302 [0,0,0,1,0,1|2,0,0]=4 1208 B17R2.2343 O=C(NCCCO)c1csc2c1cccc2 WXVL_AK0073SE0108 [0,0,0,1,0,1|2,0,0]=4 1209 B17R2.2343 O=C(NCCCO)c1csc2c1cccc2 WXVL_AK0073SE0108 [0,0,0,1,0,1|2,0,0]=4 1210 B17R2.18474 O=C(NC(=O)N1CCCC1)c2ccccc2 WXVL_AN0008YV0027 [0,1,0,1,0,0|2,0,0]=4 1211 B17R2.18474 O=C(NC(=O)N1CCCC1)c2ccccc2 WXVL_AN0008YV0027 [0,1,0,1,0,0|2,0,0]=4 1212 B17R2.202 Cc1ccc(cc1)C=CC(=O)N2CCCC2 WXVL_AN0008SB0060 [0,1,0,1,0,0|1,0,0]=3 1213 B17R2.202 Cc1ccc(cc1)C=CC(=O)N2CCCC2 WXVL_AN0008SB0060 [0,1,0,1,0,0|1,0,0]=3 1214 B17R2.202 O=C(/C=C/c1ccc(cc1)O)N2CCCC2 WXVL_AN0008SB0418 [0,1,0,1,0,0|1,0,0]=3 1215 B17R2.202 O=C(/C=C/c1ccc(cc1)O)N2CCCC2 WXVL_AN0008SB0418 [0,1,0,1,0,0|1,0,0]=3 1216 B17R2.202 O=C(C=Cc1ccc(cc1)Br)N2CCCC2 WXVL_AN0008SB1122 [0,1,0,1,0,0|1,0,0]=3 1217 B17R2.202 O=C(C=Cc1ccc(cc1)Br)N2CCCC2 WXVL_AN0008SB1122 [0,1,0,1,0,0|1,0,0]=3 1218 B17R2.202 O=C(C=Cc1ccc(cc1)Cl)N2CCCC2 WXVL_AN0008SB0119 [0,1,0,1,0,0|1,0,0]=3 1219 B17R2.202 O=C(C=Cc1ccc(cc1)Cl)N2CCCC2 WXVL_AN0008SB0119 [0,1,0,1,0,0|1,0,0]=3 1220 B17R2.202 O=C(C=Cc1ccc(cc1)F)N2CCCC2 WXVL_AN0008SB1186 [0,1,0,1,0,0|1,0,0]=3 1221 B17R2.202 O=C(C=Cc1ccc(cc1)F)N2CCCC2 WXVL_AN0008SB1186 [0,1,0,1,0,0|1,0,0]=3 1222 B17R2.56751 Cc1ccc(cc1)C=CC(=O)NC2CNC2 WXVL_AK1291SB0060 [0,1,0,1,0,0|2,0,0]=4 1223 B17R2.56751 Cc1ccc(cc1)C=CC(=O)NC2CNC2 WXVL_AK1291SB0060 [0,1,0,1,0,0|2,0,0]=4 1224 B17R2.56751 Cc1ccc(cc1)C=CC(=O)NC2CSC2 WXVL_AK2089SB0060 [0,1,0,1,0,0|2,0,0]=4 1225 B17R2.56751 Cc1ccc(cc1)C=CC(=O)NC2CSC2 WXVL_AK2089SB0060 [0,1,0,1,0,0|2,0,0]=4 1226 B17R2.56751 O=C(/C=C/c1ccc(cc1)O)NC2CNC2 WXVL_AK1291SB0418 [0,1,0,1,0,0|2,0,0]=4 1227 B17R2.56751 O=C(/C=C/c1ccc(cc1)O)NC2CNC2 WXVL_AK1291SB0418 [0,1,0,1,0,0|2,0,0]=4 1228 B17R2.56751 O=C(/C=C/c1ccc(cc1)O)NC2CSC2 WXVL_AK2089SB0418 [0,1,0,1,0,0|2,0,0]=4 1229 B17R2.56751 O=C(/C=C/c1ccc(cc1)O)NC2CSC2 WXVL_AK2089SB0418 [0,1,0,1,0,0|2,0,0]=4 1230 B17R2.56751 O=C(C=Cc1ccc(cc1)Br)NC2CNC2 WXVL_AK1291SB1122 [0,1,0,1,0,0|2,0,0]=4 1231 B17R2.56751 O=C(C=Cc1ccc(cc1)Br)NC2CNC2 WXVL_AK1291SB1122 [0,1,0,1,0,0|2,0,0]=4 1232 B17R2.56751 O=C(C=Cc1ccc(cc1)Br)NC2CSC2 WXVL_AK2089SB1122 [0,1,0,1,0,0|2,0,0]=4 1233 B17R2.56751 O=C(C=Cc1ccc(cc1)Br)NC2CSC2 WXVL_AK2089SB1122 [0,1,0,1,0,0|2,0,0]=4 1234 B17R2.56751 O=C(C=Cc1ccc(cc1)Cl)NC2CNC2 WXVL_AK1291SB0119 [0,1,0,1,0,0|2,0,0]=4 1235 B17R2.56751 O=C(C=Cc1ccc(cc1)Cl)NC2CNC2 WXVL_AK1291SB0119 [0,1,0,1,0,0|2,0,0]=4 1236 B17R2.56751 O=C(C=Cc1ccc(cc1)Cl)NC2CSC2 WXVL_AK2089SB0119 [0,1,0,1,0,0|2,0,0]=4 1237 B17R2.56751 O=C(C=Cc1ccc(cc1)Cl)NC2CSC2 WXVL_AK2089SB0119 [0,1,0,1,0,0|2,0,0]=4 1238 B17R2.56751 O=C(C=Cc1ccc(cc1)F)NC2CNC2 WXVL_AK1291SB1186 [0,1,0,1,0,0|2,0,0]=4 1239 B17R2.56751 O=C(C=Cc1ccc(cc1)F)NC2CNC2 WXVL_AK1291SB1186 [0,1,0,1,0,0|2,0,0]=4 1240 B17R2.56751 O=C(C=Cc1ccc(cc1)F)NC2CSC2 WXVL_AK2089SB1186 [0,1,0,1,0,0|2,0,0]=4 1241 B17R2.56751 O=C(C=Cc1ccc(cc1)F)NC2CSC2 WXVL_AK2089SB1186 [0,1,0,1,0,0|2,0,0]=4 1242 B17R2.5287 O=C(C=Cc1cccc(c1)Cl)N2CCCC2 WXVL_AN0008SB1601 [0,1,0,1,0,0|1,0,0]=3 1243 B17R2.5287 O=C(C=Cc1cccc(c1)Cl)N2CCCC2 WXVL_AN0008SB1601 [0,1,0,1,0,0|1,0,0]=3 1244 B17R2.5287 O=C(C=Cc1cccc(c1)O)N2CCCC2 WXVL_AN0008SB0417 [0,1,0,1,0,0|1,0,0]=3 1245 B17R2.5287 O=C(C=Cc1cccc(c1)O)N2CCCC2 WXVL_AN0008SB0417 [0,1,0,1,0,0|1,0,0]=3 1246 B17R2.150335 O=C(C=Cc1cccc(c1)Cl)NC2CNC2 WXVL_AK1291SB1601 [0,1,0,1,0,0|2,0,0]=4 1247 B17R2.150335 O=C(C=Cc1cccc(c1)Cl)NC2CNC2 WXVL_AK1291SB1601 [0,1,0,1,0,0|2,0,0]=4 1248 B17R2.150335 O=C(C=Cc1cccc(c1)Cl)NC2CSC2 WXVL_AK2089SB1601 [0,1,0,1,0,0|2,0,0]=4 1249 B17R2.150335 O=C(C=Cc1cccc(c1)Cl)NC2CSC2 WXVL_AK2089SB1601 [0,1,0,1,0,0|2,0,0]=4 1250 B17R2.150335 O=C(C=Cc1cccc(c1)O)NC2CNC2 WXVL_AK1291SB0417 [0,1,0,1,0,0|2,0,0]=4 1251 B17R2.150335 O=C(C=Cc1cccc(c1)O)NC2CNC2 WXVL_AK1291SB0417 [0,1,0,1,0,0|2,0,0]=4 1252 B17R2.150335 O=C(C=Cc1cccc(c1)O)NC2CSC2 WXVL_AK2089SB0417 [0,1,0,1,0,0|2,0,0]=4 1253 B17R2.150335 O=C(C=Cc1cccc(c1)O)NC2CSC2 WXVL_AK2089SB0417 [0,1,0,1,0,0|2,0,0]=4 1254 B17R2.3231 CC1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN0556SB0115 [0,1,0,1,0,0|1,0,0]=3 1255 B17R2.3231 CC1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN0556SB0115 [0,1,0,1,0,0|1,0,0]=3 1256 B17R2.3231 CC1CCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN0556SA0193 [0,1,0,1,0,0|2,0,0]=4 1257 B17R2.3231 CC1CCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN0556SA0193 [0,1,0,1,0,0|2,0,0]=4 1258 B17R2.3231 C[C@@H]1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN00488SB0115 [0,1,0,1,0,0|1,0,0]=3 1259 B17R2.3231 C[C@@H]1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN00488SB0115 [0,1,0,1,0,0|1,0,0]=3 1260 B17R2.3231 C[C@@H]1CCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN00488SA0193 [0,1,0,1,0,0|2,0,0]=4 1261 B17R2.3231 C[C@@H]1CCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN00488SA0193 [0,1,0,1,0,0|2,0,0]=4 1262 B17R2.3231 C[C@H]1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN00094SB0115 [0,1,0,1,0,0|1,0,0]=3 1263 B17R2.3231 C[C@H]1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN00094SB0115 [0,1,0,1,0,0|1,0,0]=3 1264 B17R2.3231 C[C@H]1CCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN00094SA0193 [0,1,0,1,0,0|2,0,0]=4 1265 B17R2.3231 C[C@H]1CCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN00094SA0193 [0,1,0,1,0,0|2,0,0]=4 1266 B17R2.3231 O=C(/C=C/c1ccccc1)N2CCC(C2)Br WXVL_AN00715SB0115 [0,1,0,1,0,0|1,0,0]=3 1267 B17R2.3231 O=C(/C=C/c1ccccc1)N2CCC(C2)F WXVL_AN00338SB0115 [0,1,0,1,0,0|1,0,0]=3 1268 B17R2.3231 O=C(/C=C/c1ccccc1)N2CCC(C2)F WXVL_AN00338SB0115 [0,1,0,1,0,0|1,0,0]=3 1269 B17R2.3231 O=C(/C=C/c1ccccc1)N2CCC(C2)O WXVL_AN0158SB0115 [0,1,0,1,0,0|1,0,0]=3 1270 B17R2.3231 O=C(/C=C/c1ccccc1)N2CCC(C2)O WXVL_AN0158SB0115 [0,1,0,1,0,0|1,0,0]=3 1271 B17R2.3231 O=C(/C=C/c1ccccc1)N2CC[C@@H](C2)O WXVL_AN00391SB0115 [0,1,0,1,0,0|1,0,0]=3 1272 B17R2.3231 O=C(/C=C/c1ccccc1)N2CC[C@@H](C2)O WXVL_AN00391SB0115 [0,1,0,1,0,0|1,0,0]=3 1273 B17R2.3231 O=C(/C=C/c1ccccc1)N2CC[C@H](C2)F WXVL_AN00035SB0115 [0,1,0,1,0,0|1,0,0]=3 1274 B17R2.3231 O=C(/C=C/c1ccccc1)N2CC[C@H](C2)F WXVL_AN00035SB0115 [0,1,0,1,0,0|1,0,0]=3 1275 B17R2.3231 O=C(/C=C/c1ccccc1)N2CC[C@H](C2)O WXVL_AN00543SB0115 [0,1,0,1,0,0|1,0,0]=3 1276 B17R2.3231 O=C(/C=C/c1cccnc1)N2CCC(C2)Br WXVL_AN00715SA0193 [0,1,0,1,0,0|2,0,0]=4 1277 B17R2.3231 O=C(/C=C/c1cccnc1)N2CCC(C2)F WXVL_AN00338SA0193 [0,1,0,1,0,0|2,0,0]=4 1278 B17R2.3231 O=C(/C=C/c1cccnc1)N2CCC(C2)F WXVL_AN00338SA0193 [0,1,0,1,0,0|2,0,0]=4 1279 B17R2.3231 O=C(/C=C/c1cccnc1)N2CCC(C2)O WXVL_AN0158SA0193 [0,1,0,1,0,0|2,0,0]=4 1280 B17R2.3231 O=C(/C=C/c1cccnc1)N2CCC(C2)O WXVL_AN0158SA0193 [0,1,0,1,0,0|2,0,0]=4 1281 B17R2.3231 O=C(/C=C/c1cccnc1)N2CC[C@@H](C2)O WXVL_AN00391SA0193 [0,1,0,1,0,0|2,0,0]=4 1282 B17R2.3231 O=C(/C=C/c1cccnc1)N2CC[C@@H](C2)O WXVL_AN00391SA0193 [0,1,0,1,0,0|2,0,0]=4 1283 B17R2.3231 O=C(/C=C/c1cccnc1)N2CC[C@H](C2)F WXVL_AN00035SA0193 [0,1,0,1,0,0|2,0,0]=4 1284 B17R2.3231 O=C(/C=C/c1cccnc1)N2CC[C@H](C2)F WXVL_AN00035SA0193 [0,1,0,1,0,0|2,0,0]=4 1285 B17R2.3231 O=C(/C=C/c1cccnc1)N2CC[C@H](C2)O WXVL_AN00543SA0193 [0,1,0,1,0,0|2,0,0]=4 1286 B17R2.5233 CC1CC(C1)NC(=O)/C=C/c2ccccc2 WXVL_AK0309SB0115 [0,1,0,1,0,0|1,0,0]=3 1287 B17R2.5233 CC1CC(C1)NC(=O)/C=C/c2ccccc2 WXVL_AK0309SB0115 [0,1,0,1,0,0|1,0,0]=3 1288 B17R2.5233 CC1CC(C1)NC(=O)/C=C/c2cccnc2 WXVL_AK0309SA0193 [0,1,0,1,0,0|2,0,0]=4 1289 B17R2.5233 CC1CC(C1)NC(=O)/C=C/c2cccnc2 WXVL_AK0309SA0193 [0,1,0,1,0,0|2,0,0]=4 1290 B17R2.5233 CN1CC(C1)NC(=O)/C=C/c2ccccc2 WXVL_AK1377SB0115 [0,1,0,1,0,0|2,0,0]=4 1291 B17R2.5233 CN1CC(C1)NC(=O)/C=C/c2ccccc2 WXVL_AK1377SB0115 [0,1,0,1,0,0|2,0,0]=4 1292 B17R2.5233 O=C(/C=C/c1ccccc1)NC2CC(C2)F WXVL_AK0307SB0115 [0,1,0,1,0,0|1,0,0]=3 1293 B17R2.5233 O=C(/C=C/c1ccccc1)NC2CC(C2)F WXVL_AK0307SB0115 [0,1,0,1,0,0|1,0,0]=3 1294 B17R2.5233 O=C(/C=C/c1ccccc1)NC2CC(C2)O WXVL_AK0306SB0115 [0,1,0,1,0,0|1,0,0]=3 1295 B17R2.5233 O=C(/C=C/c1ccccc1)NC2CC(C2)O WXVL_AK0306SB0115 [0,1,0,1,0,0|1,0,0]=3 1296 B17R2.5233 O=C(/C=C/c1ccccc1)N[C@H]2C[C@H](C2)O WXVL_AK1397SB0115 [0,1,0,1,0,0|1,0,0]=3 1297 B17R2.5233 O=C(/C=C/c1ccccc1)N[C@H]2C[C@H](C2)O WXVL_AK1397SB0115 [0,1,0,1,0,0|1,0,0]=3 1298 B17R2.5233 O=C(/C=C/c1cccnc1)NC2CC(C2)F WXVL_AK0307SA0193 [0,1,0,1,0,0|2,0,0]=4 1299 B17R2.5233 O=C(/C=C/c1cccnc1)NC2CC(C2)F WXVL_AK0307SA0193 [0,1,0,1,0,0|2,0,0]=4 1300 B17R2.5233 O=C(/C=C/c1cccnc1)NC2CC(C2)O WXVL_AK0306SA0193 [0,1,0,1,0,0|2,0,0]=4 1301 B17R2.5233 O=C(/C=C/c1cccnc1)NC2CC(C2)O WXVL_AK0306SA0193 [0,1,0,1,0,0|2,0,0]=4 1302 B17R2.5233 O=C(/C=C/c1cccnc1)N[C@H]2C[C@H](C2)O WXVL_AK1397SA0193 [0,1,0,1,0,0|2,0,0]=4 1303 B17R2.5233 O=C(/C=C/c1cccnc1)N[C@H]2C[C@H](C2)O WXVL_AK1397SA0193 [0,1,0,1,0,0|2,0,0]=4 1304 B17R2.45566 O=C(/C=C/c1ccccc1)NCCC2CC2 WXVL_AK00594SB0115 [0,1,0,1,0,0|1,0,0]=3 1305 B17R2.45566 O=C(/C=C/c1ccccc1)NCCC2CC2 WXVL_AK00594SB0115 [0,1,0,1,0,0|1,0,0]=3 1306 B17R2.45566 O=C(/C=C/c1cccnc1)NCCC2CC2 WXVL_AK00594SA0193 [0,1,0,1,0,0|2,0,0]=4 1307 B17R2.45566 O=C(/C=C/c1cccnc1)NCCC2CC2 WXVL_AK00594SA0193 [0,1,0,1,0,0|2,0,0]=4 1308 B17R2.76756 O=C(/C=C/c1ccccc1)NC2CC2(F)F WXVL_AK0397SB0115 [0,1,0,1,0,0|2,0,0]=4 1309 B17R2.76756 O=C(/C=C/c1ccccc1)NC2CC2(F)F WXVL_AK0397SB0115 [0,1,0,1,0,0|2,0,0]=4 1310 B17R2.1910 O=C(/C=C/c1ccccc1)N2CC[C@@H]2CO WXVL_AN00694SB0115 [0,1,0,1,0,0|1,0,0]=3 1311 B17R2.1910 O=C(/C=C/c1ccccc1)N2CC[C@H]2CO WXVL_AN3414SB0115 [0,1,0,1,0,0|1,0,0]=3 1312 B17R2.1910 O=C(/C=C/c1ccccc1)N2CC[C@H]2CO WXVL_AN3414SB0115 [0,1,0,1,0,0|1,0,0]=3 1313 B17R2.1910 O=C(/C=C/c1cccnc1)N2CC[C@@H]2CO WXVL_AN00694SA0193 [0,1,0,1,0,0|2,0,0]=4 1314 B17R2.1910 O=C(/C=C/c1cccnc1)N2CC[C@H]2CO WXVL_AN3414SA0193 [0,1,0,1,0,0|2,0,0]=4 1315 B17R2.1910 O=C(/C=C/c1cccnc1)N2CC[C@H]2CO WXVL_AN3414SA0193 [0,1,0,1,0,0|2,0,0]=4 1316 B17R2.2342 O=C(/C=C/c1ccccc1)N2CCOCC2 WXVL_AN00478SB0115 [0,1,0,1,0,0|1,0,0]=3 1317 B17R2.2342 O=C(/C=C/c1ccccc1)N2CCOCC2 WXVL_AN00478SB0115 [0,1,0,1,0,0|1,0,0]=3 1318 B17R2.2342 O=C(/C=C/c1ccccc1)N2CCSCC2 WXVL_AN0896SB0115 [0,1,0,1,0,0|1,0,0]=3 1319 B17R2.2342 O=C(/C=C/c1cccnc1)N2CCOCC2 WXVL_AN00478SA0193 [0,1,0,1,0,0|2,0,0]=4 1320 B17R2.2342 O=C(/C=C/c1cccnc1)N2CCOCC2 WXVL_AN00478SA0193 [0,1,0,1,0,0|2,0,0]=4 1321 B17R2.2342 O=C(/C=C/c1cccnc1)N2CCSCC2 WXVL_AN0896SA0193 [0,1,0,1,0,0|2,0,0]=4 1322 B17R2.2342 O=C(NCc1ccccc1)C2CCCCO2 WXVL_AK00502SB0206 [0,1,0,1,0,0|1,0,1]=4 1323 B17R2.2342 O=C(NCc1ccccc1)C2CCCCO2 WXVL_AK00502SB0206 [0,1,0,1,0,0|1,0,1]=4 1324 B17R2.2342 O=C(NCc1ccccc1)[C@H]2CCCCO2 WXVL_AK00502SB00044 [0,1,0,1,0,0|1,0,1]=4 1325 B17R2.2342 O=C(NCc1ccccc1)[C@H]2CCCCO2 WXVL_AK00502SB00044 [0,1,0,1,0,0|1,0,1]=4 1326 B17R2.3530 C[C@@H]1CCCN1C(=O)/C=C/c2ccccc2 WXVL_AN00593SB0115 [0,1,0,1,0,0|1,0,0]=3 1327 B17R2.3530 C[C@@H]1CCCN1C(=O)/C=C/c2cccnc2 WXVL_AN00593SA0193 [0,1,0,1,0,0|2,0,0]=4 1328 B17R2.76752 O=C(/C=C/c1ccccc1)NCC2CCC2 WXVL_AK00492SB0115 [0,1,0,1,0,0|1,0,0]=3 1329 B17R2.76752 O=C(/C=C/c1ccccc1)NCC2CCC2 WXVL_AK00492SB0115 [0,1,0,1,0,0|1,0,0]=3 1330 B17R2.76752 O=C(/C=C/c1ccccc1)NCC2CCO2 WXVL_AK1433SB0115 [0,1,0,1,0,0|1,0,0]=3 1331 B17R2.76752 O=C(/C=C/c1ccccc1)NCC2CCO2 WXVL_AK1433SB0115 [0,1,0,1,0,0|1,0,0]=3 1332 B17R2.76752 O=C(/C=C/c1ccccc1)NCC2COC2 WXVL_AK0186SB0115 [0,1,0,1,0,0|1,0,0]=3 1333 B17R2.76752 O=C(/C=C/c1ccccc1)NCC2COC2 WXVL_AK0186SB0115 [0,1,0,1,0,0|1,0,0]=3 1334 B17R2.76752 O=C(/C=C/c1cccnc1)NCC2CCC2 WXVL_AK00492SA0193 [0,1,0,1,0,0|2,0,0]=4 1335 B17R2.76752 O=C(/C=C/c1cccnc1)NCC2CCC2 WXVL_AK00492SA0193 [0,1,0,1,0,0|2,0,0]=4 1336 B17R2.76752 O=C(/C=C/c1cccnc1)NCC2CCO2 WXVL_AK1433SA0193 [0,1,0,1,0,0|2,0,0]=4 1337 B17R2.76752 O=C(/C=C/c1cccnc1)NCC2CCO2 WXVL_AK1433SA0193 [0,1,0,1,0,0|2,0,0]=4 1338 B17R2.76752 O=C(/C=C/c1cccnc1)NCC2COC2 WXVL_AK0186SA0193 [0,1,0,1,0,0|2,0,0]=4 1339 B17R2.76752 O=C(/C=C/c1cccnc1)NCC2COC2 WXVL_AK0186SA0193 [0,1,0,1,0,0|2,0,0]=4 1340 B17R2.2322 CCCCNC(=O)c1cc2ccccc2[nH]1 WXVL_AK00588SE0001 [0,1,0,1,0,0|1,0,0]=3 1341 B17R2.2322 CCCCNC(=O)c1cc2ccccc2[nH]1 WXVL_AK00588SE0001 [0,1,0,1,0,0|1,0,0]=3 1342 B17R2.2322 CCCCNC(=O)c1cc2ccccc2o1 WXVL_AK00588SE0105 [0,1,0,1,0,0|1,0,0]=3 1343 B17R2.2322 CCCCNC(=O)c1cc2ccccc2o1 WXVL_AK00588SE0105 [0,1,0,1,0,0|1,0,0]=3 1344 B17R2.2322 CCCCNC(=O)c1cc2ccccc2s1 WXVL_AK00588SE0107 [0,1,0,1,0,0|1,0,0]=3 1345 B17R2.2322 CCCCNC(=O)c1cc2ccccc2s1 WXVL_AK00588SE0107 [0,1,0,1,0,0|1,0,0]=3 1346 B17R2.2322 CCCCNC(=O)c1cc2ccccn2n1 WXVL_AK00588SE0030 [0,1,0,1,0,0|2,0,0]=4 1347 B17R2.2322 CCCCNC(=O)c1cc2ccccn2n1 WXVL_AK00588SE0030 [0,1,0,1,0,0|2,0,0]=4 1348 B17R2.2322 CCCCNC(=O)c1cc2cccnc2[nH]1 WXVL_AK00588SE0450 [0,1,0,1,0,0|2,0,0]=4 1349 B17R2.2322 CCCCNC(=O)c1cc2cccnc2[nH]1 WXVL_AK00588SE0450 [0,1,0,1,0,0|2,0,0]=4 1350 B17R2.2322 CCCCNC(=O)c1cc2cccnc2s1 WXVL_AK00588SE0061 [0,1,0,1,0,0|2,0,0]=4 1351 B17R2.2322 CCCCNC(=O)c1cc2cccnc2s1 WXVL_AK00588SE0061 [0,1,0,1,0,0|2,0,0]=4 1352 B17R2.2322 CCCCNC(=O)c1cc2cnccc2[nH]1 WXVL_AK00588SE0511 [0,1,0,1,0,0|2,0,0]=4 1353 B17R2.2322 CCCCNC(=O)c1cc2cnccc2[nH]1 WXVL_AK00588SE0511 [0,1,0,1,0,0|2,0,0]=4 1354 B17R2.2322 CCCCNC(=O)c1cc2ncccc2[nH]1 WXVL_AK00588SE0680 [0,1,0,1,0,0|2,0,0]=4 1355 B17R2.2322 CCCCNC(=O)c1cc2ncccc2[nH]1 WXVL_AK00588SE0680 [0,1,0,1,0,0|2,0,0]=4 1356 B17R2.2322 CCCCNC(=O)c1nc2ccccc2[nH]1 WXVL_AK00588SE0026 [0,1,0,1,0,0|2,0,0]=4 1357 B17R2.2322 CCCCNC(=O)c1nc2ccccc2[nH]1 WXVL_AK00588SE0026 [0,1,0,1,0,0|2,0,0]=4 1358 B17R2.2322 CCCCNC(=O)c1nc2ccccc2o1 WXVL_AK00588SE0704 [0,1,0,1,0,0|2,0,0]=4 1359 B17R2.2322 CCCCNC(=O)c1nc2ccccc2o1 WXVL_AK00588SE0704 [0,1,0,1,0,0|2,0,0]=4 1360 B17R2.2322 CSCCNC(=O)c1cc2ccccc2[nH]1 WXVL_AK00440SE0001 [0,1,0,1,0,0|2,0,0]=4 1361 B17R2.2322 CSCCNC(=O)c1cc2ccccc2[nH]1 WXVL_AK00440SE0001 [0,1,0,1,0,0|2,0,0]=4 1362 B17R2.2322 CSCCNC(=O)c1cc2ccccc2o1 WXVL_AK00440SE0105 [0,1,0,1,0,0|2,0,0]=4 1363 B17R2.2322 CSCCNC(=O)c1cc2ccccc2o1 WXVL_AK00440SE0105 [0,1,0,1,0,0|2,0,0]=4 1364 B17R2.2322 CSCCNC(=O)c1cc2ccccc2s1 WXVL_AK00440SE0107 [0,1,0,1,0,0|2,0,0]=4 1365 B17R2.2322 CSCCNC(=O)c1cc2ccccc2s1 WXVL_AK00440SE0107 [0,1,0,1,0,0|2,0,0]=4 1366 B17R2.2322 O=C(NCCCO)c1cc2ccccc2[nH]1 WXVL_AK0073SE0001 [0,1,0,1,0,0|2,0,0]=4 1367 B17R2.2322 O=C(NCCCO)c1cc2ccccc2[nH]1 WXVL_AK0073SE0001 [0,1,0,1,0,0|2,0,0]=4 1368 B17R2.2322 O=C(NCCCO)c1cc2ccccc2o1 WXVL_AK0073SE0105 [0,1,0,1,0,0|2,0,0]=4 1369 B17R2.2322 O=C(NCCCO)c1cc2ccccc2o1 WXVL_AK0073SE0105 [0,1,0,1,0,0|2,0,0]=4 1370 B17R2.2322 O=C(NCCCO)c1cc2ccccc2s1 WXVL_AK0073SE0107 [0,1,0,1,0,0|2,0,0]=4 1371 B17R2.2322 O=C(NCCCO)c1cc2ccccc2s1 WXVL_AK0073SE0107 [0,1,0,1,0,0|2,0,0]=4 1372 B17R2.5722 C/C(=C\c1cccnc1)/C(=O)N2CCCC2 WXVL_AN0008SA1933 [0,1,0,1,0,0|2,0,0]=4 1373 B17R2.5722 C/C(=C\c1cccnc1)/C(=O)N2CCCC2 WXVL_AN0008SA1933 [0,1,0,1,0,0|2,0,0]=4 1374 B17R2.5722 C=C(Cc1ccccc1)C(=O)N2CCCC2 WXVL_AN0008SB0413 [0,1,0,1,0,0|1,0,1]=4 1375 B17R2.5722 C=C(Cc1ccccc1)C(=O)N2CCCC2 WXVL_AN0008SB0413 [0,1,0,1,0,0|1,0,1]=4 1376 B17R2.76770 CC1(CC1)CNC(=O)/C=C/c2ccccc2 WXVL_AK00811SB0115 [0,1,0,1,0,0|1,0,0]=3 1377 B17R2.76770 CC1(CC1)CNC(=O)/C=C/c2ccccc2 WXVL_AK00811SB0115 [0,1,0,1,0,0|1,0,0]=3 1378 B17R2.76770 CC1(CC1)CNC(=O)/C=C/c2cccnc2 WXVL_AK00811SA0193 [0,1,0,1,0,0|2,0,0]=4 1379 B17R2.76770 CC1(CC1)CNC(=O)/C=C/c2cccnc2 WXVL_AK00811SA0193 [0,1,0,1,0,0|2,0,0]=4 1380 B17R2.76770 O=C(/C=C/c1ccccc1)NCC2(CC2)O WXVL_AK0301SB0115 [0,1,0,1,0,0|1,0,0]=3 1381 B17R2.76770 O=C(/C=C/c1ccccc1)NCC2(CC2)O WXVL_AK0301SB0115 [0,1,0,1,0,0|1,0,0]=3 1382 B17R2.76770 O=C(/C=C/c1cccnc1)NCC2(CC2)O WXVL_AK0301SA0193 [0,1,0,1,0,0|2,0,0]=4 1383 B17R2.76770 O=C(/C=C/c1cccnc1)NCC2(CC2)O WXVL_AK0301SA0193 [0,1,0,1,0,0|2,0,0]=4 1384 B17R2.76771 CC(NC(=O)/C=C/c1ccccc1)C2CC2 WXVL_AK00200SB0115 [0,1,0,1,0,0|1,0,0]=3 1385 B17R2.76771 CC(NC(=O)/C=C/c1ccccc1)C2CC2 WXVL_AK00200SB0115 [0,1,0,1,0,0|1,0,0]=3 1386 B17R2.76771 CC(NC(=O)/C=C/c1cccnc1)C2CC2 WXVL_AK00200SA0193 [0,1,0,1,0,0|2,0,0]=4 1387 B17R2.76771 CC(NC(=O)/C=C/c1cccnc1)C2CC2 WXVL_AK00200SA0193 [0,1,0,1,0,0|2,0,0]=4 1388 B17R2.76771 C[C@H](NC(=O)/C=C/c1ccccc1)C2CC2 WXVL_AK0484SB0115 [0,1,0,1,0,0|1,0,0]=3 1389 B17R2.76771 C[C@H](NC(=O)/C=C/c1ccccc1)C2CC2 WXVL_AK0484SB0115 [0,1,0,1,0,0|1,0,0]=3 1390 B17R2.76771 C[C@H](NC(=O)/C=C/c1cccnc1)C2CC2 WXVL_AK0484SA0193 [0,1,0,1,0,0|2,0,0]=4 1391 B17R2.76771 C[C@H](NC(=O)/C=C/c1cccnc1)C2CC2 WXVL_AK0484SA0193 [0,1,0,1,0,0|2,0,0]=4 1392 B17R2.3429 O=C(C=Cc1ccccc1Br)N2CCCC2 WXVL_AN0008SB3065 [0,1,0,1,0,0|1,0,0]=3 1393 B17R2.3429 O=C(C=Cc1ccccc1Br)N2CCCC2 WXVL_AN0008SB3065 [0,1,0,1,0,0|1,0,0]=3 1394 B17R2.181358 O=C(C=Cc1ccccc1Br)NC2CNC2 WXVL_AK1291SB3065 [0,1,0,1,0,0|2,0,0]=4 1395 B17R2.181358 O=C(C=Cc1ccccc1Br)NC2CNC2 WXVL_AK1291SB3065 [0,1,0,1,0,0|2,0,0]=4 1396 B17R2.181358 O=C(C=Cc1ccccc1Br)NC2CSC2 WXVL_AK2089SB3065 [0,1,0,1,0,0|2,0,0]=4 1397 B17R2.181358 O=C(C=Cc1ccccc1Br)NC2CSC2 WXVL_AK2089SB3065 [0,1,0,1,0,0|2,0,0]=4 1398 B17R2.20254 O=S(=O)(/C=C/c1ccccc1)N2CCCC2 WXVL_AN0008HU0026 [0,1,0,1,0,0|2,0,0]=4 1399 B17R2.20254 O=S(=O)(/C=C/c1ccccc1)N2CCCC2 WXVL_AN0008HU0026 [0,1,0,1,0,0|2,0,0]=4 1400 B13R1.44 CCCNC(=O)Cc1ccccc1 WXVL_AK00504SB0092 [1,0,0,0,1,0|1,0,1]=4 1401 B13R1.44 CCCNC(=O)Cc1ccccc1 WXVL_AK00504SB0092 [1,0,0,0,1,0|1,0,1]=4 1402 B13R1.44 CCOCC(=O)Nc1ccccc1 WXVL_AG00183SB0091 [1,0,0,0,1,0|2,0,0]=4 1403 B13R1.44 CCOCC(=O)Nc1ccccc1 WXVL_AG00183SB0091 [1,0,0,0,1,0|2,0,0]=4 1404 B13R1.44 CCSCC(=O)Nc1ccccc1 WXVL_AG00183SB0002 [1,0,0,0,1,0|2,0,0]=4 1405 B13R1.44 CCSCC(=O)Nc1ccccc1 WXVL_AG00183SB0002 [1,0,0,0,1,0|2,0,0]=4 1406 B13R1.44 COCCC(=O)Nc1ccccc1 WXVL_AG00183SB0156 [1,0,0,0,1,0|2,0,0]=4 1407 B13R1.44 COCCC(=O)Nc1ccccc1 WXVL_AG00183SB0156 [1,0,0,0,1,0|2,0,0]=4 1408 B13R1.44 CSCCC(=O)Nc1ccccc1 WXVL_AG00183SB0361 [1,0,0,0,1,0|2,0,0]=4 1409 B13R1.44 CSCCC(=O)Nc1ccccc1 WXVL_AG00183SB0361 [1,0,0,0,1,0|2,0,0]=4 1410 B13R1.153 CCCNC(=O)/C=C/c1ccco1 WXVL_AK00504SA0180 [1,0,0,0,1,0|2,0,0]=4 1411 B13R1.153 CCCNC(=O)/C=C/c1ccco1 WXVL_AK00504SA0180 [1,0,0,0,1,0|2,0,0]=4 1412 B13R1.153 CCCNC(=O)/C=C/c1cccs1 WXVL_AK00504SA0001 [1,0,0,0,1,0|2,0,0]=4 1413 B13R1.153 CCCNC(=O)/C=C/c1cccs1 WXVL_AK00504SA0001 [1,0,0,0,1,0|2,0,0]=4 1414 B13R1.153 CCCNC(=O)/C=C/c1ccoc1 WXVL_AK00504SA0047 [1,0,0,0,1,0|2,0,0]=4 1415 B13R1.153 CCCNC(=O)/C=C/c1ccoc1 WXVL_AK00504SA0047 [1,0,0,0,1,0|2,0,0]=4 1416 B13R1.153 CCCNC(=O)/C=C/c1ccsc1 WXVL_AK00504SA0251 [1,0,0,0,1,0|2,0,0]=4 1417 B13R1.153 CCCNC(=O)/C=C/c1ccsc1 WXVL_AK00504SA0251 [1,0,0,0,1,0|2,0,0]=4 1418 B13R1.24 CCCCNC(=O)c1ccccc1 WXVL_AK00588SD0001 [0,0,0,0,2,0|1,0,0]=3 1419 B13R1.24 CCCCNC(=O)c1ccccc1 WXVL_AK00588SD0001 [0,0,0,0,2,0|1,0,0]=3 1420 B13R1.24 CCCCNC(=O)c1ccccn1 WXVL_AK00588SC0058 [0,0,0,0,2,0|2,0,0]=4 1421 B13R1.24 CCCCNC(=O)c1ccccn1 WXVL_AK00588SC0058 [0,0,0,0,2,0|2,0,0]=4 1422 B13R1.24 CCCCNC(=O)c1cccnc1 WXVL_AK00588SC0061 [0,0,0,0,2,0|2,0,0]=4 1423 B13R1.24 CCCCNC(=O)c1cccnc1 WXVL_AK00588SC0061 [0,0,0,0,2,0|2,0,0]=4 1424 B13R1.24 CCCCNC(=O)c1ccncc1 WXVL_AK00588SC0062 [0,0,0,0,2,0|2,0,0]=4 1425 B13R1.24 CCCCNC(=O)c1ccncc1 WXVL_AK00588SC0062 [0,0,0,0,2,0|2,0,0]=4 1426 B13R1.24 CSCCNC(=O)c1ccccc1 WXVL_AK00440SD0001 [0,0,0,0,2,0|2,0,0]=4 1427 B13R1.24 CSCCNC(=O)c1ccccc1 WXVL_AK00440SD0001 [0,0,0,0,2,0|2,0,0]=4 1428 B13R1.24 O=C(NCCCO)c1ccccc1 WXVL_AK0073SD0001 [0,0,0,0,2,0|2,0,0]=4 1429 B13R1.24 O=C(NCCCO)c1ccccc1 WXVL_AK0073SD0001 [0,0,0,0,2,0|2,0,0]=4 1430 B17R1.1854 O=C(CCCCBr)NC/C=C/c1ccccc1 WXVL_AK00073SB3153 [0,0,0,0,0,2|2,0,0]=4 1431 B17R1.1854 O=C(CCCCBr)NC/C=C/c1ccccc1 WXVL_AK00073SB3153 [0,0,0,0,0,2|2,0,0]=4 1432 B17R1.1854 O=C(CCCCCl)NC/C=C/c1ccccc1 WXVL_AK00073SB0379 [0,0,0,0,0,2|2,0,0]=4 1433 B17R1.1854 O=C(CCCCCl)NC/C=C/c1ccccc1 WXVL_AK00073SB0379 [0,0,0,0,0,2|2,0,0]=4 1434 B17R1.1854 O=C(NC/C=C/c1ccccc1)NCCCCl WXVL_AK00073YV0130 [0,0,0,0,0,2|2,0,0]=4 1435 B17R1.1854 O=C(NC/C=C/c1ccccc1)NCCCCl WXVL_AK00073YV0130 [0,0,0,0,0,2|2,0,0]=4