0 B17R2.86762 C#CCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK3109LP0102 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.86762 C#CCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK3109LP0102 [0,0,0,0,0,0|3,0,1]=4 2 B17R2.86762 C=CCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00138LP0102 [0,0,0,0,0,0|3,0,1]=4 3 B17R2.86762 C=CCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00138LP0102 [0,0,0,0,0,0|3,0,1]=4 4 B17R2.86762 CCCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00588LP0102 [0,0,0,0,0,0|3,0,0]=3 5 B17R2.86762 CCCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00588LP0102 [0,0,0,0,0,0|3,0,0]=3 6 B17R2.86762 CSCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00440LP0102 [0,0,0,0,0,0|4,0,0]=4 7 B17R2.86762 CSCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00440LP0102 [0,0,0,0,0,0|4,0,0]=4 8 B17R2.86762 N#CCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0087LP0102 [0,0,0,0,0,0|3,0,1]=4 9 B17R2.86762 N#CCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0087LP0102 [0,0,0,0,0,0|3,0,1]=4 10 B17R2.86762 N#Cc1c[nH]c2c1c(ncn2)NCCCO WXVL_AK0073LP0102 [0,0,0,0,0,0|2,0,0]=2 11 B17R2.86762 N#Cc1c[nH]c2c1c(ncn2)NCCCO WXVL_AK0073LP0102 [0,0,0,0,0,0|2,0,0]=2 12 B16R2.6353 C#CCCNc1ncnc2c1c(c[nH]2)C WXVL_AK3109LP0065 [1,0,0,0,0,0|1,0,1]=3 13 B16R2.6353 C#CCCNc1ncnc2c1c(c[nH]2)C WXVL_AK3109LP0065 [1,0,0,0,0,0|1,0,1]=3 14 B16R2.6353 C#CCCNc1ncnc2c1c(c[nH]2)I WXVL_AK3109LR0005 [1,0,0,0,0,0|2,0,1]=4 15 B16R2.6353 C#CCCNc1ncnc2c1c(c[nH]2)I WXVL_AK3109LR0005 [1,0,0,0,0,0|2,0,1]=4 16 B16R2.6353 C#CCCNc1ncnc2c1c(cs2)C WXVL_AK3109LP0115 [1,0,0,0,0,0|2,0,1]=4 17 B16R2.6353 C#CCCNc1ncnc2c1c(cs2)C WXVL_AK3109LP0115 [1,0,0,0,0,0|2,0,1]=4 18 B16R2.6353 C=CCCNc1ncnc2c1c(c[nH]2)C WXVL_AK00138LP0065 [1,0,0,0,0,0|1,0,1]=3 19 B16R2.6353 C=CCCNc1ncnc2c1c(c[nH]2)C WXVL_AK00138LP0065 [1,0,0,0,0,0|1,0,1]=3 20 B16R2.6353 C=CCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00138LR0005 [1,0,0,0,0,0|2,0,1]=4 21 B16R2.6353 C=CCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00138LR0005 [1,0,0,0,0,0|2,0,1]=4 22 B16R2.6353 C=CCCNc1ncnc2c1c(cs2)C WXVL_AK00138LP0115 [1,0,0,0,0,0|2,0,1]=4 23 B16R2.6353 C=CCCNc1ncnc2c1c(cs2)C WXVL_AK00138LP0115 [1,0,0,0,0,0|2,0,1]=4 24 B16R2.6353 CCCCNc1ncnc2c1c(c[nH]2)C WXVL_AK00588LP0065 [1,0,0,0,0,0|1,0,0]=2 25 B16R2.6353 CCCCNc1ncnc2c1c(c[nH]2)C WXVL_AK00588LP0065 [1,0,0,0,0,0|1,0,0]=2 26 B16R2.6353 CCCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00588LR0005 [1,0,0,0,0,0|2,0,0]=3 27 B16R2.6353 CCCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00588LR0005 [1,0,0,0,0,0|2,0,0]=3 28 B16R2.6353 CCCCNc1ncnc2c1c(cs2)Br WXVL_AK00588LR0445 [1,0,0,0,0,0|3,0,0]=4 29 B16R2.6353 CCCCNc1ncnc2c1c(cs2)C WXVL_AK00588LP0115 [1,0,0,0,0,0|2,0,0]=3 30 B16R2.6353 CCCCNc1ncnc2c1c(cs2)C WXVL_AK00588LP0115 [1,0,0,0,0,0|2,0,0]=3 31 B16R2.6353 CCCCNc1ncnc2c1c(n[nH]2)I WXVL_AK00588PY1247 [1,0,0,0,0,0|3,0,0]=4 32 B16R2.6353 CCCCNc1ncnc2c1c(n[nH]2)I WXVL_AK00588PY1247 [1,0,0,0,0,0|3,0,0]=4 33 B16R2.6353 CCCCNc1ncnc2c1n(cn2)C WXVL_AK00588LP0517 [1,0,0,0,0,0|2,0,1]=4 34 B16R2.6353 CCCCNc1ncnc2c1n(cn2)C WXVL_AK00588LP0517 [1,0,0,0,0,0|2,0,1]=4 35 B16R2.6353 CSCCNc1ncnc2c1c(c[nH]2)C WXVL_AK00440LP0065 [1,0,0,0,0,0|2,0,0]=3 36 B16R2.6353 CSCCNc1ncnc2c1c(c[nH]2)C WXVL_AK00440LP0065 [1,0,0,0,0,0|2,0,0]=3 37 B16R2.6353 CSCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00440LR0005 [1,0,0,0,0,0|3,0,0]=4 38 B16R2.6353 CSCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00440LR0005 [1,0,0,0,0,0|3,0,0]=4 39 B16R2.6353 CSCCNc1ncnc2c1c(cs2)C WXVL_AK00440LP0115 [1,0,0,0,0,0|3,0,0]=4 40 B16R2.6353 CSCCNc1ncnc2c1c(cs2)C WXVL_AK00440LP0115 [1,0,0,0,0,0|3,0,0]=4 41 B16R2.6353 Cc1c[nH]c2c1c(ncn2)NCCC#N WXVL_AK0087LP0065 [1,0,0,0,0,0|1,0,1]=3 42 B16R2.6353 Cc1c[nH]c2c1c(ncn2)NCCC#N WXVL_AK0087LP0065 [1,0,0,0,0,0|1,0,1]=3 43 B16R2.6353 Cc1c[nH]c2c1c(ncn2)NCCCO WXVL_AK0073LP0065 [1,0,0,0,0,0|0,0,0]=1 44 B16R2.6353 Cc1c[nH]c2c1c(ncn2)NCCCO WXVL_AK0073LP0065 [1,0,0,0,0,0|0,0,0]=1 45 B16R2.6353 Cc1csc2c1c(ncn2)NCCC#N WXVL_AK0087LP0115 [1,0,0,0,0,0|2,0,1]=4 46 B16R2.6353 Cc1csc2c1c(ncn2)NCCC#N WXVL_AK0087LP0115 [1,0,0,0,0,0|2,0,1]=4 47 B16R2.6353 Cc1csc2c1c(ncn2)NCCCO WXVL_AK0073LP0115 [1,0,0,0,0,0|1,0,0]=2 48 B16R2.6353 Cc1csc2c1c(ncn2)NCCCO WXVL_AK0073LP0115 [1,0,0,0,0,0|1,0,0]=2 49 B16R2.6353 Cn1cnc2c1c(ncn2)NCCCO WXVL_AK0073LP0517 [1,0,0,0,0,0|1,0,1]=3 50 B16R2.6353 Cn1cnc2c1c(ncn2)NCCCO WXVL_AK0073LP0517 [1,0,0,0,0,0|1,0,1]=3 51 B16R2.6353 Cn1ncc2c1c(ncn2)NCCCO WXVL_AK0073LP3355 [1,0,0,0,0,0|3,0,0]=4 52 B16R2.6353 Cn1ncc2c1c(ncn2)NCCCO WXVL_AK0073LP3355 [1,0,0,0,0,0|3,0,0]=4 53 B16R2.6353 N#CCCNc1ncnc2c1c(c[nH]2)I WXVL_AK0087LR0005 [1,0,0,0,0,0|2,0,1]=4 54 B16R2.6353 N#CCCNc1ncnc2c1c(c[nH]2)I WXVL_AK0087LR0005 [1,0,0,0,0,0|2,0,1]=4 55 B16R2.6353 OCCCNc1ncnc2c1c([nH]n2)Br WXVL_AK0073PY0042 [1,0,0,0,0,0|2,0,1]=4 56 B16R2.6353 OCCCNc1ncnc2c1c([nH]n2)Br WXVL_AK0073PY0042 [1,0,0,0,0,0|2,0,1]=4 57 B16R2.6353 OCCCNc1ncnc2c1c(c[nH]2)I WXVL_AK0073LR0005 [1,0,0,0,0,0|1,0,0]=2 58 B16R2.6353 OCCCNc1ncnc2c1c(c[nH]2)I WXVL_AK0073LR0005 [1,0,0,0,0,0|1,0,0]=2 59 B16R2.6353 OCCCNc1ncnc2c1c(cs2)Br WXVL_AK0073LR0445 [1,0,0,0,0,0|2,0,0]=3 60 B16R2.6353 OCCCNc1ncnc2c1c(n[nH]2)I WXVL_AK0073PY1247 [1,0,0,0,0,0|2,0,0]=3 61 B16R2.6353 OCCCNc1ncnc2c1c(n[nH]2)I WXVL_AK0073PY1247 [1,0,0,0,0,0|2,0,0]=3 62 B16R2.6353 OCCCNc1ncnn2c1c(cc2)Br WXVL_AK0073LR0743 [1,0,0,0,0,0|3,0,0]=4 63 B16R2.6353 OCCCNc1ncnn2c1c(cc2)Br WXVL_AK0073LR0743 [1,0,0,0,0,0|3,0,0]=4 64 B16R2.32148 CCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00504LP0102 [1,0,0,0,0,0|2,0,0]=3 65 B16R2.32148 CCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00504LP0102 [1,0,0,0,0,0|2,0,0]=3 66 B16R2.32148 N#Cc1c[nH]c2c1c(ncn2)NCCF WXVL_AK00466LP0102 [1,0,0,0,0,0|3,0,0]=4 67 B16R2.32148 N#Cc1c[nH]c2c1c(ncn2)NCCF WXVL_AK00466LP0102 [1,0,0,0,0,0|3,0,0]=4 68 B18R2.268093 C#CCCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00218LP0102 [0,1,0,0,0,0|3,0,0]=4 69 B18R2.268093 C#CCCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00218LP0102 [0,1,0,0,0,0|3,0,0]=4 70 B18R2.268093 CCCCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0076LP0102 [0,1,0,0,0,0|3,0,0]=4 71 B18R2.268093 CCCCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0076LP0102 [0,1,0,0,0,0|3,0,0]=4 72 B18R2.268093 CCSCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00494LP0102 [0,1,0,0,0,0|3,0,0]=4 73 B18R2.268093 CCSCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00494LP0102 [0,1,0,0,0,0|3,0,0]=4 74 B18R2.268093 COCCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00637LP0102 [0,1,0,0,0,0|2,0,0]=3 75 B18R2.268093 COCCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00637LP0102 [0,1,0,0,0,0|2,0,0]=3 76 B18R2.268093 CSCCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0965LP0102 [0,1,0,0,0,0|2,1,0]=4 77 B18R2.268093 CSCCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0965LP0102 [0,1,0,0,0,0|2,1,0]=4 78 B18R2.268093 N#Cc1c[nH]c2c1c(ncn2)NCCCCO WXVL_AK0075LP0102 [0,1,0,0,0,0|2,0,0]=3 79 B18R2.268093 N#Cc1c[nH]c2c1c(ncn2)NCCCCO WXVL_AK0075LP0102 [0,1,0,0,0,0|2,0,0]=3 80 B18R2.622812 CC(CCO)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK1288LP0102 [0,1,0,0,0,0|2,0,0]=3 81 B18R2.622812 CC(CCO)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK1288LP0102 [0,1,0,0,0,0|2,0,0]=3 82 B18R2.622812 CCC[C@H](C)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK00682LP0102 [0,1,0,0,0,0|3,0,0]=4 83 B18R2.622812 CCC[C@H](C)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK00682LP0102 [0,1,0,0,0,0|3,0,0]=4 84 B18R2.859145 CC(C)CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0068LP0102 [0,1,0,0,0,0|3,0,0]=4 85 B18R2.859145 CC(C)CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0068LP0102 [0,1,0,0,0,0|3,0,0]=4 86 B18R2.859146 N#Cc1c[nH]c2c1c(ncn2)NC[C@@H](F)CO WXVL_AK00590LP0102 [0,1,0,0,0,0|2,0,0]=3 87 B18R2.859146 N#Cc1c[nH]c2c1c(ncn2)NC[C@@H](F)CO WXVL_AK00590LP0102 [0,1,0,0,0,0|2,0,0]=3 88 B18R2.859146 N#Cc1c[nH]c2c1c(ncn2)NC[C@H](O)CO WXVL_AK00483LP0102 [0,1,0,0,0,0|2,0,0]=3 89 B18R2.859146 N#Cc1c[nH]c2c1c(ncn2)NC[C@H](O)CO WXVL_AK00483LP0102 [0,1,0,0,0,0|2,0,0]=3 90 B18R3.172111 N#Cc1c[nH]c2c1c(ncn2)N3CCCC3 WXVL_AN0008LP0102 [0,0,0,1,0,0|3,0,0]=4 91 B18R3.172111 N#Cc1c[nH]c2c1c(ncn2)N3CCCC3 WXVL_AN0008LP0102 [0,0,0,1,0,0|3,0,0]=4 92 B18R2.2430643 CCCCNc1ncnc2c1cc(cc2)OC WXVL_AK00588LP0579 [0,0,0,0,0,1|2,1,0]=4 93 B18R2.2430643 CCCCNc1ncnc2c1cc(cc2)OC WXVL_AK00588LP0579 [0,0,0,0,0,1|2,1,0]=4 94 B18R2.2430643 CCCCNc1ncnc2c1nc(cc2)OC WXVL_AK00588LP2084 [0,0,0,0,0,1|2,1,0]=4 95 B18R2.2430643 CCCCNc1ncnc2c1nc(cc2)OC WXVL_AK00588LP2084 [0,0,0,0,0,1|2,1,0]=4 96 B18R2.2430643 COc1ccc2ncnc(c2c1)NCCCO WXVL_AK0073LP0579 [0,0,0,0,0,1|1,1,0]=3 97 B18R2.2430643 COc1ccc2ncnc(c2c1)NCCCO WXVL_AK0073LP0579 [0,0,0,0,0,1|1,1,0]=3 98 B18R2.2430643 COc1ccc2ncnc(c2n1)NCCCO WXVL_AK0073LP2084 [0,0,0,0,0,1|1,1,0]=3 99 B18R2.2430643 COc1ccc2ncnc(c2n1)NCCCO WXVL_AK0073LP2084 [0,0,0,0,0,1|1,1,0]=3 100 B15R2.1454 C=CCNc1ncnc2c1c(c[nH]2)C WXVL_AK00561LP0065 [2,0,0,0,0,0|0,0,2]=4 101 B15R2.1454 C=CCNc1ncnc2c1c(c[nH]2)C WXVL_AK00561LP0065 [2,0,0,0,0,0|0,0,2]=4 102 B15R2.1454 CCCNc1ncnc2c1c(c[nH]2)C WXVL_AK00504LP0065 [2,0,0,0,0,0|0,0,0]=2 103 B15R2.1454 CCCNc1ncnc2c1c(c[nH]2)C WXVL_AK00504LP0065 [2,0,0,0,0,0|0,0,0]=2 104 B15R2.1454 CCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00504LR0005 [2,0,0,0,0,0|1,0,0]=3 105 B15R2.1454 CCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00504LR0005 [2,0,0,0,0,0|1,0,0]=3 106 B15R2.1454 CCCNc1ncnc2c1c(cs2)Br WXVL_AK00504LR0445 [2,0,0,0,0,0|2,0,0]=4 107 B15R2.1454 CCCNc1ncnc2c1c(cs2)C WXVL_AK00504LP0115 [2,0,0,0,0,0|1,0,0]=3 108 B15R2.1454 CCCNc1ncnc2c1c(cs2)C WXVL_AK00504LP0115 [2,0,0,0,0,0|1,0,0]=3 109 B15R2.1454 CCCNc1ncnc2c1c(n[nH]2)I WXVL_AK00504PY1247 [2,0,0,0,0,0|2,0,0]=4 110 B15R2.1454 CCCNc1ncnc2c1c(n[nH]2)I WXVL_AK00504PY1247 [2,0,0,0,0,0|2,0,0]=4 111 B15R2.1454 CCCNc1ncnc2c1n(cn2)C WXVL_AK00504LP0517 [2,0,0,0,0,0|1,0,1]=4 112 B15R2.1454 CCCNc1ncnc2c1n(cn2)C WXVL_AK00504LP0517 [2,0,0,0,0,0|1,0,1]=4 113 B15R2.1454 Cc1c[nH]c2c1c(ncn2)NCC#N WXVL_AK0683LP0065 [2,0,0,0,0,0|1,0,1]=4 114 B15R2.1454 Cc1c[nH]c2c1c(ncn2)NCC#N WXVL_AK0683LP0065 [2,0,0,0,0,0|1,0,1]=4 115 B15R2.1454 Cc1c[nH]c2c1c(ncn2)NCCF WXVL_AK00466LP0065 [2,0,0,0,0,0|1,0,0]=3 116 B15R2.1454 Cc1c[nH]c2c1c(ncn2)NCCF WXVL_AK00466LP0065 [2,0,0,0,0,0|1,0,0]=3 117 B15R2.1454 Cc1csc2c1c(ncn2)NCCF WXVL_AK00466LP0115 [2,0,0,0,0,0|2,0,0]=4 118 B15R2.1454 Cc1csc2c1c(ncn2)NCCF WXVL_AK00466LP0115 [2,0,0,0,0,0|2,0,0]=4 119 B15R2.1454 FCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00466LR0005 [2,0,0,0,0,0|2,0,0]=4 120 B15R2.1454 FCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00466LR0005 [2,0,0,0,0,0|2,0,0]=4 121 B15R2.4278 C#CCCNc1ncnc2c1cc[nH]2 WXVL_AK3109LP0055 [2,0,0,0,0,0|1,0,1]=4 122 B15R2.4278 C#CCCNc1ncnc2c1cc[nH]2 WXVL_AK3109LP0055 [2,0,0,0,0,0|1,0,1]=4 123 B15R2.4278 C=CCCNc1ncnc2c1cc[nH]2 WXVL_AK00138LP0055 [2,0,0,0,0,0|1,0,1]=4 124 B15R2.4278 C=CCCNc1ncnc2c1cc[nH]2 WXVL_AK00138LP0055 [2,0,0,0,0,0|1,0,1]=4 125 B15R2.4278 CCCCNc1ncnc2c1cc[nH]2 WXVL_AK00588LP0055 [2,0,0,0,0,0|1,0,0]=3 126 B15R2.4278 CCCCNc1ncnc2c1cc[nH]2 WXVL_AK00588LP0055 [2,0,0,0,0,0|1,0,0]=3 127 B15R2.4278 CCCCNc1ncnc2c1cco2 WXVL_AK00588LP0417 [2,0,0,0,0,0|2,0,0]=4 128 B15R2.4278 CCCCNc1ncnc2c1cco2 WXVL_AK00588LP0417 [2,0,0,0,0,0|2,0,0]=4 129 B15R2.4278 CCCCNc1ncnc2c1ccs2 WXVL_AK00588LP0097 [2,0,0,0,0,0|2,0,0]=4 130 B15R2.4278 CCCCNc1ncnc2c1ccs2 WXVL_AK00588LP0097 [2,0,0,0,0,0|2,0,0]=4 131 B15R2.4278 CCCCNc1ncnc2c1cn[nH]2 WXVL_AK00588PY0172 [2,0,0,0,0,0|2,0,0]=4 132 B15R2.4278 CCCCNc1ncnc2c1cn[nH]2 WXVL_AK00588PY0172 [2,0,0,0,0,0|2,0,0]=4 133 B15R2.4278 CSCCNc1ncnc2c1cc[nH]2 WXVL_AK00440LP0055 [2,0,0,0,0,0|2,0,0]=4 134 B15R2.4278 CSCCNc1ncnc2c1cc[nH]2 WXVL_AK00440LP0055 [2,0,0,0,0,0|2,0,0]=4 135 B15R2.4278 N#CCCNc1ncnc2c1cc[nH]2 WXVL_AK0087LP0055 [2,0,0,0,0,0|1,0,1]=4 136 B15R2.4278 N#CCCNc1ncnc2c1cc[nH]2 WXVL_AK0087LP0055 [2,0,0,0,0,0|1,0,1]=4 137 B15R2.4278 OCCCNc1ncnc2c1[nH]cc2 WXVL_AK0073LP0194 [2,0,0,0,0,0|2,0,0]=4 138 B15R2.4278 OCCCNc1ncnc2c1[nH]cc2 WXVL_AK0073LP0194 [2,0,0,0,0,0|2,0,0]=4 139 B15R2.4278 OCCCNc1ncnc2c1cc[nH]2 WXVL_AK0073LP0055 [2,0,0,0,0,0|0,0,0]=2 140 B15R2.4278 OCCCNc1ncnc2c1cc[nH]2 WXVL_AK0073LP0055 [2,0,0,0,0,0|0,0,0]=2 141 B15R2.4278 OCCCNc1ncnc2c1cco2 WXVL_AK0073LP0417 [2,0,0,0,0,0|1,0,0]=3 142 B15R2.4278 OCCCNc1ncnc2c1cco2 WXVL_AK0073LP0417 [2,0,0,0,0,0|1,0,0]=3 143 B15R2.4278 OCCCNc1ncnc2c1ccs2 WXVL_AK0073LP0097 [2,0,0,0,0,0|1,0,0]=3 144 B15R2.4278 OCCCNc1ncnc2c1ccs2 WXVL_AK0073LP0097 [2,0,0,0,0,0|1,0,0]=3 145 B15R2.4278 OCCCNc1ncnc2c1cn[nH]2 WXVL_AK0073PY0172 [2,0,0,0,0,0|1,0,0]=3 146 B15R2.4278 OCCCNc1ncnc2c1cn[nH]2 WXVL_AK0073PY0172 [2,0,0,0,0,0|1,0,0]=3 147 B15R2.4278 OCCCNc1ncnc2c1scc2 WXVL_AK0073LP0180 [2,0,0,0,0,0|2,0,0]=4 148 B15R2.4278 OCCCNc1ncnc2c1scc2 WXVL_AK0073LP0180 [2,0,0,0,0,0|2,0,0]=4 149 B15R2.4278 OCCCNc1ncnn2c1ccc2 WXVL_AK0073LP3349 [2,0,0,0,0,0|2,0,0]=4 150 B15R2.4278 OCCCNc1ncnn2c1ccc2 WXVL_AK0073LP3349 [2,0,0,0,0,0|2,0,0]=4 151 B15R2.11987 CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00476LP0102 [2,0,0,0,0,0|2,0,0]=4 152 B15R2.11987 CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00476LP0102 [2,0,0,0,0,0|2,0,0]=4 153 B17R2.19054 C#CCCCNc1ncnc2c1c(c[nH]2)C WXVL_AK00218LP0065 [1,1,0,0,0,0|1,0,0]=3 154 B17R2.19054 C#CCCCNc1ncnc2c1c(c[nH]2)C WXVL_AK00218LP0065 [1,1,0,0,0,0|1,0,0]=3 155 B17R2.19054 C#CCCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00218LR0005 [1,1,0,0,0,0|2,0,0]=4 156 B17R2.19054 C#CCCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00218LR0005 [1,1,0,0,0,0|2,0,0]=4 157 B17R2.19054 C#CCCCNc1ncnc2c1c(cs2)C WXVL_AK00218LP0115 [1,1,0,0,0,0|2,0,0]=4 158 B17R2.19054 C#CCCCNc1ncnc2c1c(cs2)C WXVL_AK00218LP0115 [1,1,0,0,0,0|2,0,0]=4 159 B17R2.19054 CCCCCNc1ncnc2c1c(c[nH]2)C WXVL_AK0076LP0065 [1,1,0,0,0,0|1,0,0]=3 160 B17R2.19054 CCCCCNc1ncnc2c1c(c[nH]2)C WXVL_AK0076LP0065 [1,1,0,0,0,0|1,0,0]=3 161 B17R2.19054 CCCCCNc1ncnc2c1c(c[nH]2)I WXVL_AK0076LR0005 [1,1,0,0,0,0|2,0,0]=4 162 B17R2.19054 CCCCCNc1ncnc2c1c(c[nH]2)I WXVL_AK0076LR0005 [1,1,0,0,0,0|2,0,0]=4 163 B17R2.19054 CCCCCNc1ncnc2c1c(cs2)C WXVL_AK0076LP0115 [1,1,0,0,0,0|2,0,0]=4 164 B17R2.19054 CCCCCNc1ncnc2c1c(cs2)C WXVL_AK0076LP0115 [1,1,0,0,0,0|2,0,0]=4 165 B17R2.19054 CCSCCNc1ncnc2c1c(c[nH]2)C WXVL_AK00494LP0065 [1,1,0,0,0,0|1,0,0]=3 166 B17R2.19054 CCSCCNc1ncnc2c1c(c[nH]2)C WXVL_AK00494LP0065 [1,1,0,0,0,0|1,0,0]=3 167 B17R2.19054 CCSCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00494LR0005 [1,1,0,0,0,0|2,0,0]=4 168 B17R2.19054 CCSCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00494LR0005 [1,1,0,0,0,0|2,0,0]=4 169 B17R2.19054 CCSCCNc1ncnc2c1c(cs2)C WXVL_AK00494LP0115 [1,1,0,0,0,0|2,0,0]=4 170 B17R2.19054 CCSCCNc1ncnc2c1c(cs2)C WXVL_AK00494LP0115 [1,1,0,0,0,0|2,0,0]=4 171 B17R2.19054 COCCCNc1ncnc2c1c(c[nH]2)C WXVL_AK00637LP0065 [1,1,0,0,0,0|0,0,0]=2 172 B17R2.19054 COCCCNc1ncnc2c1c(c[nH]2)C WXVL_AK00637LP0065 [1,1,0,0,0,0|0,0,0]=2 173 B17R2.19054 COCCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00637LR0005 [1,1,0,0,0,0|1,0,0]=3 174 B17R2.19054 COCCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00637LR0005 [1,1,0,0,0,0|1,0,0]=3 175 B17R2.19054 COCCCNc1ncnc2c1c(cs2)Br WXVL_AK00637LR0445 [1,1,0,0,0,0|2,0,0]=4 176 B17R2.19054 COCCCNc1ncnc2c1c(cs2)C WXVL_AK00637LP0115 [1,1,0,0,0,0|1,0,0]=3 177 B17R2.19054 COCCCNc1ncnc2c1c(cs2)C WXVL_AK00637LP0115 [1,1,0,0,0,0|1,0,0]=3 178 B17R2.19054 COCCCNc1ncnc2c1c(n[nH]2)I WXVL_AK00637PY1247 [1,1,0,0,0,0|2,0,0]=4 179 B17R2.19054 COCCCNc1ncnc2c1c(n[nH]2)I WXVL_AK00637PY1247 [1,1,0,0,0,0|2,0,0]=4 180 B17R2.19054 COCCCNc1ncnc2c1n(cn2)C WXVL_AK00637LP0517 [1,1,0,0,0,0|1,0,1]=4 181 B17R2.19054 COCCCNc1ncnc2c1n(cn2)C WXVL_AK00637LP0517 [1,1,0,0,0,0|1,0,1]=4 182 B17R2.19054 CSCCCNc1ncnc2c1c(c[nH]2)C WXVL_AK0965LP0065 [1,1,0,0,0,0|0,1,0]=3 183 B17R2.19054 CSCCCNc1ncnc2c1c(c[nH]2)C WXVL_AK0965LP0065 [1,1,0,0,0,0|0,1,0]=3 184 B17R2.19054 CSCCCNc1ncnc2c1c(c[nH]2)I WXVL_AK0965LR0005 [1,1,0,0,0,0|1,1,0]=4 185 B17R2.19054 CSCCCNc1ncnc2c1c(c[nH]2)I WXVL_AK0965LR0005 [1,1,0,0,0,0|1,1,0]=4 186 B17R2.19054 CSCCCNc1ncnc2c1c(cs2)C WXVL_AK0965LP0115 [1,1,0,0,0,0|1,1,0]=4 187 B17R2.19054 CSCCCNc1ncnc2c1c(cs2)C WXVL_AK0965LP0115 [1,1,0,0,0,0|1,1,0]=4 188 B17R2.19054 Cc1c[nH]c2c1c(ncn2)NCCCCO WXVL_AK0075LP0065 [1,1,0,0,0,0|0,0,0]=2 189 B17R2.19054 Cc1c[nH]c2c1c(ncn2)NCCCCO WXVL_AK0075LP0065 [1,1,0,0,0,0|0,0,0]=2 190 B17R2.19054 Cc1csc2c1c(ncn2)NCCCCO WXVL_AK0075LP0115 [1,1,0,0,0,0|1,0,0]=3 191 B17R2.19054 Cc1csc2c1c(ncn2)NCCCCO WXVL_AK0075LP0115 [1,1,0,0,0,0|1,0,0]=3 192 B17R2.19054 Cn1cnc2c1c(ncn2)NCCCCO WXVL_AK0075LP0517 [1,1,0,0,0,0|1,0,1]=4 193 B17R2.19054 Cn1cnc2c1c(ncn2)NCCCCO WXVL_AK0075LP0517 [1,1,0,0,0,0|1,0,1]=4 194 B17R2.19054 OCCCCNc1ncnc2c1c(c[nH]2)I WXVL_AK0075LR0005 [1,1,0,0,0,0|1,0,0]=3 195 B17R2.19054 OCCCCNc1ncnc2c1c(c[nH]2)I WXVL_AK0075LR0005 [1,1,0,0,0,0|1,0,0]=3 196 B17R2.19054 OCCCCNc1ncnc2c1c(cs2)Br WXVL_AK0075LR0445 [1,1,0,0,0,0|2,0,0]=4 197 B17R2.19054 OCCCCNc1ncnc2c1c(n[nH]2)I WXVL_AK0075PY1247 [1,1,0,0,0,0|2,0,0]=4 198 B17R2.19054 OCCCCNc1ncnc2c1c(n[nH]2)I WXVL_AK0075PY1247 [1,1,0,0,0,0|2,0,0]=4 199 B17R2.49547 CC(CCO)Nc1ncnc2c1c(c[nH]2)I WXVL_AK1288LR0005 [1,1,0,0,0,0|1,0,0]=3 200 B17R2.49547 CC(CCO)Nc1ncnc2c1c(c[nH]2)I WXVL_AK1288LR0005 [1,1,0,0,0,0|1,0,0]=3 201 B17R2.49547 CC(CCO)Nc1ncnc2c1c(cs2)Br WXVL_AK1288LR0445 [1,1,0,0,0,0|2,0,0]=4 202 B17R2.49547 CC(CCO)Nc1ncnc2c1c(n[nH]2)I WXVL_AK1288PY1247 [1,1,0,0,0,0|2,0,0]=4 203 B17R2.49547 CC(CCO)Nc1ncnc2c1c(n[nH]2)I WXVL_AK1288PY1247 [1,1,0,0,0,0|2,0,0]=4 204 B17R2.49547 CC(CCO)Nc1ncnc2c1n(cn2)C WXVL_AK1288LP0517 [1,1,0,0,0,0|1,0,1]=4 205 B17R2.49547 CC(CCO)Nc1ncnc2c1n(cn2)C WXVL_AK1288LP0517 [1,1,0,0,0,0|1,0,1]=4 206 B17R2.49547 CCC[C@H](C)Nc1ncnc2c1c(c[nH]2)C WXVL_AK00682LP0065 [1,1,0,0,0,0|1,0,0]=3 207 B17R2.49547 CCC[C@H](C)Nc1ncnc2c1c(c[nH]2)C WXVL_AK00682LP0065 [1,1,0,0,0,0|1,0,0]=3 208 B17R2.49547 CCC[C@H](C)Nc1ncnc2c1c(c[nH]2)I WXVL_AK00682LR0005 [1,1,0,0,0,0|2,0,0]=4 209 B17R2.49547 CCC[C@H](C)Nc1ncnc2c1c(c[nH]2)I WXVL_AK00682LR0005 [1,1,0,0,0,0|2,0,0]=4 210 B17R2.49547 CCC[C@H](C)Nc1ncnc2c1c(cs2)C WXVL_AK00682LP0115 [1,1,0,0,0,0|2,0,0]=4 211 B17R2.49547 CCC[C@H](C)Nc1ncnc2c1c(cs2)C WXVL_AK00682LP0115 [1,1,0,0,0,0|2,0,0]=4 212 B17R2.49547 COC[C@@H](C)Nc1ncnc2c1c(c[nH]2)C WXVL_AK00613LP0065 [1,1,0,0,0,0|2,0,0]=4 213 B17R2.49547 COC[C@@H](C)Nc1ncnc2c1c(c[nH]2)C WXVL_AK00613LP0065 [1,1,0,0,0,0|2,0,0]=4 214 B17R2.49547 COC[C@H](C)Nc1ncnc2c1c(c[nH]2)C WXVL_AK0137LP0065 [1,1,0,0,0,0|2,0,0]=4 215 B17R2.49547 COC[C@H](C)Nc1ncnc2c1c(c[nH]2)C WXVL_AK0137LP0065 [1,1,0,0,0,0|2,0,0]=4 216 B17R2.49547 Cc1c[nH]c2c1c(ncn2)NC(C)CCO WXVL_AK1288LP0065 [1,1,0,0,0,0|0,0,0]=2 217 B17R2.49547 Cc1c[nH]c2c1c(ncn2)NC(C)CCO WXVL_AK1288LP0065 [1,1,0,0,0,0|0,0,0]=2 218 B17R2.49547 Cc1c[nH]c2c1c(ncn2)N[C@@H](C)CC#N WXVL_AK00595LP0065 [1,1,0,0,0,0|1,0,1]=4 219 B17R2.49547 Cc1c[nH]c2c1c(ncn2)N[C@@H](C)CC#N WXVL_AK00595LP0065 [1,1,0,0,0,0|1,0,1]=4 220 B17R2.49547 Cc1csc2c1c(ncn2)NC(C)CCO WXVL_AK1288LP0115 [1,1,0,0,0,0|1,0,0]=3 221 B17R2.49547 Cc1csc2c1c(ncn2)NC(C)CCO WXVL_AK1288LP0115 [1,1,0,0,0,0|1,0,0]=3 222 B17R2.57658 CO[C@H](C)CNc1ncnc2c1c(c[nH]2)C WXVL_AK00704LP0065 [1,1,0,0,0,0|2,0,0]=4 223 B17R2.57658 CO[C@H](C)CNc1ncnc2c1c(c[nH]2)C WXVL_AK00704LP0065 [1,1,0,0,0,0|2,0,0]=4 224 B17R2.57658 Cc1c[nH]c2c1c(ncn2)NC[C@@H](F)CO WXVL_AK00590LP0065 [1,1,0,0,0,0|0,0,0]=2 225 B17R2.57658 Cc1c[nH]c2c1c(ncn2)NC[C@@H](F)CO WXVL_AK00590LP0065 [1,1,0,0,0,0|0,0,0]=2 226 B17R2.57658 Cc1c[nH]c2c1c(ncn2)NC[C@H](O)CO WXVL_AK00483LP0065 [1,1,0,0,0,0|0,0,0]=2 227 B17R2.57658 Cc1c[nH]c2c1c(ncn2)NC[C@H](O)CO WXVL_AK00483LP0065 [1,1,0,0,0,0|0,0,0]=2 228 B17R2.57658 Cc1csc2c1c(ncn2)NC[C@@H](F)CO WXVL_AK00590LP0115 [1,1,0,0,0,0|1,0,0]=3 229 B17R2.57658 Cc1csc2c1c(ncn2)NC[C@@H](F)CO WXVL_AK00590LP0115 [1,1,0,0,0,0|1,0,0]=3 230 B17R2.57658 Cc1csc2c1c(ncn2)NC[C@H](O)CO WXVL_AK00483LP0115 [1,1,0,0,0,0|1,0,0]=3 231 B17R2.57658 Cc1csc2c1c(ncn2)NC[C@H](O)CO WXVL_AK00483LP0115 [1,1,0,0,0,0|1,0,0]=3 232 B17R2.57658 Cn1cnc2c1c(ncn2)NC[C@@H](F)CO WXVL_AK00590LP0517 [1,1,0,0,0,0|1,0,1]=4 233 B17R2.57658 Cn1cnc2c1c(ncn2)NC[C@@H](F)CO WXVL_AK00590LP0517 [1,1,0,0,0,0|1,0,1]=4 234 B17R2.57658 Cn1cnc2c1c(ncn2)NC[C@H](O)CO WXVL_AK00483LP0517 [1,1,0,0,0,0|1,0,1]=4 235 B17R2.57658 Cn1cnc2c1c(ncn2)NC[C@H](O)CO WXVL_AK00483LP0517 [1,1,0,0,0,0|1,0,1]=4 236 B17R2.57658 OC[C@@H](O)CNc1ncnc2c1c(c[nH]2)I WXVL_AK00483LR0005 [1,1,0,0,0,0|1,0,0]=3 237 B17R2.57658 OC[C@@H](O)CNc1ncnc2c1c(c[nH]2)I WXVL_AK00483LR0005 [1,1,0,0,0,0|1,0,0]=3 238 B17R2.57658 OC[C@@H](O)CNc1ncnc2c1c(cs2)Br WXVL_AK00483LR0445 [1,1,0,0,0,0|2,0,0]=4 239 B17R2.57658 OC[C@@H](O)CNc1ncnc2c1c(n[nH]2)I WXVL_AK00483PY1247 [1,1,0,0,0,0|2,0,0]=4 240 B17R2.57658 OC[C@@H](O)CNc1ncnc2c1c(n[nH]2)I WXVL_AK00483PY1247 [1,1,0,0,0,0|2,0,0]=4 241 B17R2.57658 OC[C@H](F)CNc1ncnc2c1c(c[nH]2)I WXVL_AK00590LR0005 [1,1,0,0,0,0|1,0,0]=3 242 B17R2.57658 OC[C@H](F)CNc1ncnc2c1c(c[nH]2)I WXVL_AK00590LR0005 [1,1,0,0,0,0|1,0,0]=3 243 B17R2.57658 OC[C@H](F)CNc1ncnc2c1c(cs2)Br WXVL_AK00590LR0445 [1,1,0,0,0,0|2,0,0]=4 244 B17R2.57658 OC[C@H](F)CNc1ncnc2c1c(n[nH]2)I WXVL_AK00590PY1247 [1,1,0,0,0,0|2,0,0]=4 245 B17R2.57658 OC[C@H](F)CNc1ncnc2c1c(n[nH]2)I WXVL_AK00590PY1247 [1,1,0,0,0,0|2,0,0]=4 246 B17R2.74647 COCCN(C)c1ncnc2c1c(c[nH]2)C WXVL_AN0085LP0065 [1,1,0,0,0,0|2,0,0]=4 247 B17R2.74647 COCCN(C)c1ncnc2c1c(c[nH]2)C WXVL_AN0085LP0065 [1,1,0,0,0,0|2,0,0]=4 248 B17R2.86764 CCCCNc1ncnc2c1c(cn2C)Br WXVL_AK00588LP3354 [1,1,0,0,0,0|2,0,0]=4 249 B17R2.86764 CCCCNc1ncnc2c1c(cn2C)Br WXVL_AK00588LP3354 [1,1,0,0,0,0|2,0,0]=4 250 B17R2.86764 Cn1cc(c2c1ncnc2NCCCO)Br WXVL_AK0073LP3354 [1,1,0,0,0,0|1,0,0]=3 251 B17R2.86764 Cn1cc(c2c1ncnc2NCCCO)Br WXVL_AK0073LP3354 [1,1,0,0,0,0|1,0,0]=3 252 B17R2.184950 CC(C)CCNc1ncnc2c1c(c[nH]2)I WXVL_AK0068LR0005 [1,1,0,0,0,0|2,0,0]=4 253 B17R2.184950 CC(C)CCNc1ncnc2c1c(c[nH]2)I WXVL_AK0068LR0005 [1,1,0,0,0,0|2,0,0]=4 254 B17R2.184950 Cc1c[nH]c2c1c(ncn2)NCCC(=O)N WXVL_AK00443LP0065 [1,1,0,0,0,0|0,0,2]=4 255 B17R2.184950 Cc1c[nH]c2c1c(ncn2)NCCC(=O)N WXVL_AK00443LP0065 [1,1,0,0,0,0|0,0,2]=4 256 B17R2.184950 Cc1c[nH]c2c1c(ncn2)NCCC(C)C WXVL_AK0068LP0065 [1,1,0,0,0,0|1,0,0]=3 257 B17R2.184950 Cc1c[nH]c2c1c(ncn2)NCCC(C)C WXVL_AK0068LP0065 [1,1,0,0,0,0|1,0,0]=3 258 B17R2.184950 Cc1c[nH]c2c1c(ncn2)NCCN(C)C WXVL_AK0058LP0065 [1,1,0,0,0,0|2,0,0]=4 259 B17R2.184950 Cc1c[nH]c2c1c(ncn2)NCCN(C)C WXVL_AK0058LP0065 [1,1,0,0,0,0|2,0,0]=4 260 B17R2.184950 Cc1csc2c1c(ncn2)NCCC(C)C WXVL_AK0068LP0115 [1,1,0,0,0,0|2,0,0]=4 261 B17R2.184950 Cc1csc2c1c(ncn2)NCCC(C)C WXVL_AK0068LP0115 [1,1,0,0,0,0|2,0,0]=4 262 B17R2.325128 CN(CCO)c1ncnc2c1c(c[nH]2)C#N WXVL_AN2670LP0102 [1,1,0,0,0,0|2,0,0]=4 263 B17R2.325128 CN(CCO)c1ncnc2c1c(c[nH]2)C#N WXVL_AN2670LP0102 [1,1,0,0,0,0|2,0,0]=4 264 B17R2.429189 CC(C)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00544LP0102 [1,1,0,0,0,0|2,0,0]=4 265 B17R2.429189 CC(C)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00544LP0102 [1,1,0,0,0,0|2,0,0]=4 266 B17R2.429189 CC(O)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0052LP0102 [1,1,0,0,0,0|2,0,0]=4 267 B17R2.429189 CC(O)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0052LP0102 [1,1,0,0,0,0|2,0,0]=4 268 B17R2.429189 C[C@H](O)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0113LP0102 [1,1,0,0,0,0|2,0,0]=4 269 B17R2.429189 C[C@H](O)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0113LP0102 [1,1,0,0,0,0|2,0,0]=4 270 B17R2.429383 CC[C@H](C)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK00678LP0102 [1,1,0,0,0,0|2,0,0]=4 271 B17R2.429383 CC[C@H](C)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK00678LP0102 [1,1,0,0,0,0|2,0,0]=4 272 B17R2.429383 C[C@@H](CO)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK0109LP0102 [1,1,0,0,0,0|2,0,0]=4 273 B17R2.429383 C[C@@H](CO)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK0109LP0102 [1,1,0,0,0,0|2,0,0]=4 274 B19R2.27144 COc1ccc2ncnc(c2c1)NC[C@@H](F)CO WXVL_AK00590LP0579 [0,1,0,0,0,1|1,1,0]=4 275 B19R2.27144 COc1ccc2ncnc(c2c1)NC[C@@H](F)CO WXVL_AK00590LP0579 [0,1,0,0,0,1|1,1,0]=4 276 B19R2.27144 COc1ccc2ncnc(c2c1)NC[C@H](O)CO WXVL_AK00483LP0579 [0,1,0,0,0,1|1,1,0]=4 277 B19R2.27144 COc1ccc2ncnc(c2c1)NC[C@H](O)CO WXVL_AK00483LP0579 [0,1,0,0,0,1|1,1,0]=4 278 B19R2.27144 COc1ccc2ncnc(c2n1)NC[C@@H](F)CO WXVL_AK00590LP2084 [0,1,0,0,0,1|1,1,0]=4 279 B19R2.27144 COc1ccc2ncnc(c2n1)NC[C@@H](F)CO WXVL_AK00590LP2084 [0,1,0,0,0,1|1,1,0]=4 280 B19R2.27144 COc1ccc2ncnc(c2n1)NC[C@H](O)CO WXVL_AK00483LP2084 [0,1,0,0,0,1|1,1,0]=4 281 B19R2.27144 COc1ccc2ncnc(c2n1)NC[C@H](O)CO WXVL_AK00483LP2084 [0,1,0,0,0,1|1,1,0]=4 282 B19R2.3693220 COc1ccc2nc(nc(c2c1)NCCCO)C WXVL_AK0073LP1531 [0,1,0,0,0,1|1,1,0]=4 283 B19R2.3693220 COc1ccc2nc(nc(c2c1)NCCCO)C WXVL_AK0073LP1531 [0,1,0,0,0,1|1,1,0]=4 284 B19R2.4427901 COCCCNc1ncnc2c1cc(cc2)OC WXVL_AK00637LP0579 [0,1,0,0,0,1|1,1,0]=4 285 B19R2.4427901 COCCCNc1ncnc2c1cc(cc2)OC WXVL_AK00637LP0579 [0,1,0,0,0,1|1,1,0]=4 286 B19R2.4427901 COCCCNc1ncnc2c1nc(cc2)OC WXVL_AK00637LP2084 [0,1,0,0,0,1|1,1,0]=4 287 B19R2.4427901 COCCCNc1ncnc2c1nc(cc2)OC WXVL_AK00637LP2084 [0,1,0,0,0,1|1,1,0]=4 288 B19R2.4427901 COc1ccc2ncnc(c2c1)NCCCCO WXVL_AK0075LP0579 [0,1,0,0,0,1|1,1,0]=4 289 B19R2.4427901 COc1ccc2ncnc(c2c1)NCCCCO WXVL_AK0075LP0579 [0,1,0,0,0,1|1,1,0]=4 290 B19R2.4427901 COc1ccc2ncnc(c2n1)NCCCCO WXVL_AK0075LP2084 [0,1,0,0,0,1|1,1,0]=4 291 B19R2.4427901 COc1ccc2ncnc(c2n1)NCCCCO WXVL_AK0075LP2084 [0,1,0,0,0,1|1,1,0]=4 292 B19R2.6643615 COc1ccc2ncnc(c2c1)NC(C)CCO WXVL_AK1288LP0579 [0,1,0,0,0,1|1,1,0]=4 293 B19R2.6643615 COc1ccc2ncnc(c2c1)NC(C)CCO WXVL_AK1288LP0579 [0,1,0,0,0,1|1,1,0]=4 294 B19R2.6643615 COc1ccc2ncnc(c2n1)NC(C)CCO WXVL_AK1288LP2084 [0,1,0,0,0,1|1,1,0]=4 295 B19R2.6643615 COc1ccc2ncnc(c2n1)NC(C)CCO WXVL_AK1288LP2084 [0,1,0,0,0,1|1,1,0]=4 296 B19R2.279206 C=COCCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK7221LP0102 [0,2,0,0,0,0|2,0,0]=4 297 B19R2.279206 C=COCCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK7221LP0102 [0,2,0,0,0,0|2,0,0]=4 298 B19R2.279206 CCOCCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0072LP0102 [0,2,0,0,0,0|2,0,0]=4 299 B19R2.279206 CCOCCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0072LP0102 [0,2,0,0,0,0|2,0,0]=4 300 B19R2.279206 N#Cc1c[nH]c2c1c(ncn2)NCCCCCO WXVL_AK0077LP0102 [0,2,0,0,0,0|2,0,0]=4 301 B19R2.279206 N#Cc1c[nH]c2c1c(ncn2)NCCCCCO WXVL_AK0077LP0102 [0,2,0,0,0,0|2,0,0]=4 302 B19R2.279206 N#Cc1c[nH]c2c1c(ncn2)NCCNCCO WXVL_AK0954LP0102 [0,2,0,0,0,0|2,0,0]=4 303 B19R2.279206 N#Cc1c[nH]c2c1c(ncn2)NCCNCCO WXVL_AK0954LP0102 [0,2,0,0,0,0|2,0,0]=4 304 B19R2.2694573 CC(CO)CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK4143LP0102 [0,2,0,0,0,0|2,0,0]=4 305 B19R2.2694573 CC(CO)CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK4143LP0102 [0,2,0,0,0,0|2,0,0]=4 306 B19R2.1629747 CC(C)(O)CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK1558LP0102 [0,2,0,0,0,0|2,0,0]=4 307 B19R2.1629747 CC(C)(O)CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK1558LP0102 [0,2,0,0,0,0|2,0,0]=4 308 B19R2.7572209 CC(C)(CO)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0104LP0102 [0,2,0,0,0,0|2,0,0]=4 309 B19R2.7572209 CC(C)(CO)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0104LP0102 [0,2,0,0,0,0|2,0,0]=4 310 B17R2.86756 Cc1ccc2ncnc(c2c1)NCCCO WXVL_AK0073LP0622 [0,0,1,1,0,0|2,0,0]=4 311 B17R2.86756 Cc1ccc2ncnc(c2c1)NCCCO WXVL_AK0073LP0622 [0,0,1,1,0,0|2,0,0]=4 312 B17R3.30068 Cc1c[nH]c2c1c(ncn2)N3CCCC3 WXVL_AN0008LP0065 [1,0,0,1,0,0|1,0,0]=3 313 B17R3.30068 Cc1c[nH]c2c1c(ncn2)N3CCCC3 WXVL_AN0008LP0065 [1,0,0,1,0,0|1,0,0]=3 314 B17R3.30068 Cc1csc2c1c(ncn2)N3CCCC3 WXVL_AN0008LP0115 [1,0,0,1,0,0|2,0,0]=4 315 B17R3.30068 Cc1csc2c1c(ncn2)N3CCCC3 WXVL_AN0008LP0115 [1,0,0,1,0,0|2,0,0]=4 316 B17R3.30068 Ic1c[nH]c2c1c(ncn2)N3CCCC3 WXVL_AN0008LR0005 [1,0,0,1,0,0|2,0,0]=4 317 B17R3.30068 Ic1c[nH]c2c1c(ncn2)N3CCCC3 WXVL_AN0008LR0005 [1,0,0,1,0,0|2,0,0]=4 318 B17R3.274313 Cc1c[nH]c2c1c(ncn2)NC3CNC3 WXVL_AK1291LP0065 [1,0,0,1,0,0|2,0,0]=4 319 B17R3.274313 Cc1c[nH]c2c1c(ncn2)NC3CNC3 WXVL_AK1291LP0065 [1,0,0,1,0,0|2,0,0]=4 320 B17R3.274313 Cc1c[nH]c2c1c(ncn2)NC3CSC3 WXVL_AK2089LP0065 [1,0,0,1,0,0|2,0,0]=4 321 B17R3.274313 Cc1c[nH]c2c1c(ncn2)NC3CSC3 WXVL_AK2089LP0065 [1,0,0,1,0,0|2,0,0]=4 322 B17R3.627364 N#Cc1c[nH]c2c1c(ncn2)NC3CC3 WXVL_AK0001LP0102 [1,0,0,1,0,0|2,0,0]=4 323 B17R3.627364 N#Cc1c[nH]c2c1c(ncn2)NC3CC3 WXVL_AK0001LP0102 [1,0,0,1,0,0|2,0,0]=4 324 B19R3.304048 N#Cc1c[nH]c2c1c(ncn2)N3CC[C@@H]3CO WXVL_AN00694LP0102 [0,1,0,1,0,0|2,0,0]=4 325 B19R3.304048 N#Cc1c[nH]c2c1c(ncn2)N3CC[C@H]3CO WXVL_AN3414LP0102 [0,1,0,1,0,0|2,0,0]=4 326 B19R3.304048 N#Cc1c[nH]c2c1c(ncn2)N3CC[C@H]3CO WXVL_AN3414LP0102 [0,1,0,1,0,0|2,0,0]=4 327 B19R3.3575148 N#Cc1c[nH]c2c1c(ncn2)NCC3CCO3 WXVL_AK1433LP0102 [0,1,0,1,0,0|2,0,0]=4 328 B19R3.3575148 N#Cc1c[nH]c2c1c(ncn2)NCC3CCO3 WXVL_AK1433LP0102 [0,1,0,1,0,0|2,0,0]=4 329 B19R3.3575148 N#Cc1c[nH]c2c1c(ncn2)NCC3COC3 WXVL_AK0186LP0102 [0,1,0,1,0,0|2,0,0]=4 330 B19R3.3575148 N#Cc1c[nH]c2c1c(ncn2)NCC3COC3 WXVL_AK0186LP0102 [0,1,0,1,0,0|2,0,0]=4 331 B19R3.3575142 N#Cc1c[nH]c2c1c(ncn2)NC3CC(C3)O WXVL_AK0306LP0102 [0,1,0,1,0,0|2,0,0]=4 332 B19R3.3575142 N#Cc1c[nH]c2c1c(ncn2)NC3CC(C3)O WXVL_AK0306LP0102 [0,1,0,1,0,0|2,0,0]=4 333 B19R3.3575142 N#Cc1c[nH]c2c1c(ncn2)N[C@H]3C[C@H](C3)O WXVL_AK1397LP0102 [0,1,0,1,0,0|2,0,0]=4 334 B19R3.3575142 N#Cc1c[nH]c2c1c(ncn2)N[C@H]3C[C@H](C3)O WXVL_AK1397LP0102 [0,1,0,1,0,0|2,0,0]=4 335 B19R3.1523768 N#Cc1c[nH]c2c1c(ncn2)N3CCC(C3)O WXVL_AN0158LP0102 [0,1,0,1,0,0|2,0,0]=4 336 B19R3.1523768 N#Cc1c[nH]c2c1c(ncn2)N3CCC(C3)O WXVL_AN0158LP0102 [0,1,0,1,0,0|2,0,0]=4 337 B19R3.1523768 N#Cc1c[nH]c2c1c(ncn2)N3CC[C@@H](C3)O WXVL_AN00391LP0102 [0,1,0,1,0,0|2,0,0]=4 338 B19R3.1523768 N#Cc1c[nH]c2c1c(ncn2)N3CC[C@@H](C3)O WXVL_AN00391LP0102 [0,1,0,1,0,0|2,0,0]=4 339 B19R3.1523768 N#Cc1c[nH]c2c1c(ncn2)N3CC[C@H](C3)O WXVL_AN00543LP0102 [0,1,0,1,0,0|2,0,0]=4 340 B17R2.342035 CCCNc1ncnc2c1cc(cc2)OC WXVL_AK00504LP0579 [1,0,0,0,0,1|1,1,0]=4 341 B17R2.342035 CCCNc1ncnc2c1cc(cc2)OC WXVL_AK00504LP0579 [1,0,0,0,0,1|1,1,0]=4 342 B17R2.342035 CCCNc1ncnc2c1nc(cc2)OC WXVL_AK00504LP2084 [1,0,0,0,0,1|1,1,0]=4 343 B17R2.342035 CCCNc1ncnc2c1nc(cc2)OC WXVL_AK00504LP2084 [1,0,0,0,0,1|1,1,0]=4