0 B23R2.249619 CCCCCCCCCCNc1nc(c2ccccc2n1)C WXVL_AK1845LP0957 [0,0,0,0,0,0|3,0,1]=4 1 B23R2.249619 CCCCCCCCCCNc1nc(c2ccccc2n1)C WXVL_AK1845LP0957 [0,0,0,0,0,0|3,0,1]=4 2 B22R2.123365 CCCCCCCCCCNc1ncc2ccccc2n1 WXVL_AK1845LP0064 [1,0,0,0,0,0|2,0,1]=4 3 B22R2.123365 CCCCCCCCCCNc1ncc2ccccc2n1 WXVL_AK1845LP0064 [1,0,0,0,0,0|2,0,1]=4 4 B22R1.5543 CCCCCCCCCCNC(=O)NC(=O)c1ccccc1 WXVL_AK1845YV0027 [0,0,1,0,0,0|3,0,0]=4 5 B22R1.5543 CCCCCCCCCCNC(=O)NC(=O)c1ccccc1 WXVL_AK1845YV0027 [0,0,1,0,0,0|3,0,0]=4 6 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1Br WXVL_AK1886SD0002 [0,0,1,0,0,0|2,0,1]=4 7 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1Br WXVL_AK1886SD0002 [0,0,1,0,0,0|2,0,1]=4 8 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1C WXVL_AK1886SD0037 [0,0,1,0,0,0|2,0,1]=4 9 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1C WXVL_AK1886SD0037 [0,0,1,0,0,0|2,0,1]=4 10 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1Cl WXVL_AK1886SD0006 [0,0,1,0,0,0|2,0,1]=4 11 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1Cl WXVL_AK1886SD0006 [0,0,1,0,0,0|2,0,1]=4 12 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1F WXVL_AK1886SD0003 [0,0,1,0,0,0|2,0,1]=4 13 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1F WXVL_AK1886SD0003 [0,0,1,0,0,0|2,0,1]=4 14 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1I WXVL_AK1886SD0303 [0,0,1,0,0,0|2,0,1]=4 15 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1I WXVL_AK1886SD0303 [0,0,1,0,0,0|2,0,1]=4 16 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1O WXVL_AK1886SD00056 [0,0,1,0,0,0|2,0,1]=4 17 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1O WXVL_AK1886SD00056 [0,0,1,0,0,0|2,0,1]=4 18 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1S WXVL_AK1886SD0153 [0,0,1,0,0,0|2,0,1]=4 19 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1S WXVL_AK1886SD0153 [0,0,1,0,0,0|2,0,1]=4 20 B22R1.521770 C#Cc1ccccc1NC(=O)CCCCCCCCCCC WXVL_AG2072SB2796 [0,0,1,0,0,0|2,0,1]=4 21 B22R1.521770 C#Cc1ccccc1NC(=O)CCCCCCCCCCC WXVL_AG2072SB2796 [0,0,1,0,0,0|2,0,1]=4 22 B22R1.521770 C=Cc1ccccc1NC(=O)CCCCCCCCCCC WXVL_AG2145SB2796 [0,0,1,0,0,0|2,0,0]=3 23 B22R1.521770 C=Cc1ccccc1NC(=O)CCCCCCCCCCC WXVL_AG2145SB2796 [0,0,1,0,0,0|2,0,0]=3 24 B22R1.521770 CCCCCCCCCCCC(=O)Nc1ccccc1C#N WXVL_AG0340SB2796 [0,0,1,0,0,0|2,0,1]=4 25 B22R1.521770 CCCCCCCCCCCC(=O)Nc1ccccc1C#N WXVL_AG0340SB2796 [0,0,1,0,0,0|2,0,1]=4 26 B22R1.521770 CCCCCCCCCCCC(=O)Nc1ccccc1CO WXVL_AG0305SB2796 [0,0,1,0,0,0|1,0,2]=4 27 B22R1.521770 CCCCCCCCCCCC(=O)Nc1ccccc1CO WXVL_AG0305SB2796 [0,0,1,0,0,0|1,0,2]=4 28 B22R1.521770 CCCCCCCCCCCC(=O)Nc1ccccc1OC WXVL_AG00090SB2796 [0,0,1,0,0,0|3,0,0]=4 29 B22R1.521770 CCCCCCCCCCCC(=O)Nc1ccccc1OC WXVL_AG00090SB2796 [0,0,1,0,0,0|3,0,0]=4 30 B22R1.521770 CCCCCCCCCCCC(=O)Nc1ccccc1SC WXVL_AG0585SB2796 [0,0,1,0,0,0|3,0,0]=4 31 B22R1.521770 CCCCCCCCCCCC(=O)Nc1ccccc1SC WXVL_AG0585SB2796 [0,0,1,0,0,0|3,0,0]=4 32 B21R1.2969 CCCCCCCCCCCCNC(=O)c1ccccc1 WXVL_AK1886SD0001 [1,0,1,0,0,0|1,0,1]=4 33 B21R1.2969 CCCCCCCCCCCCNC(=O)c1ccccc1 WXVL_AK1886SD0001 [1,0,1,0,0,0|1,0,1]=4 34 B21R1.7092 CCCCCCCCCCNC(=O)/C=C/c1ccccc1 WXVL_AK1845SB0115 [1,0,1,0,0,0|2,0,0]=4 35 B21R1.7092 CCCCCCCCCCNC(=O)/C=C/c1ccccc1 WXVL_AK1845SB0115 [1,0,1,0,0,0|2,0,0]=4 36 B21R1.19806 C=Cc1ccccc1NC(=O)CCCCCCCCCC WXVL_AG2145SB0490 [1,0,1,0,0,0|2,0,0]=4 37 B21R1.19806 C=Cc1ccccc1NC(=O)CCCCCCCCCC WXVL_AG2145SB0490 [1,0,1,0,0,0|2,0,0]=4 38 B21R1.79130 CCCCCCCCCCCC(=O)Nc1ccccc1Br WXVL_AG00180SB2796 [1,0,1,0,0,0|2,0,0]=4 39 B21R1.79130 CCCCCCCCCCCC(=O)Nc1ccccc1Br WXVL_AG00180SB2796 [1,0,1,0,0,0|2,0,0]=4 40 B21R1.79130 CCCCCCCCCCCC(=O)Nc1ccccc1C WXVL_AG0027SB2796 [1,0,1,0,0,0|1,0,1]=4 41 B21R1.79130 CCCCCCCCCCCC(=O)Nc1ccccc1C WXVL_AG0027SB2796 [1,0,1,0,0,0|1,0,1]=4 42 B21R1.79130 CCCCCCCCCCCC(=O)Nc1ccccc1Cl WXVL_AG00129SB2796 [1,0,1,0,0,0|2,0,0]=4 43 B21R1.79130 CCCCCCCCCCCC(=O)Nc1ccccc1Cl WXVL_AG00129SB2796 [1,0,1,0,0,0|2,0,0]=4 44 B21R1.79130 CCCCCCCCCCCC(=O)Nc1ccccc1I WXVL_AG0385SB2796 [1,0,1,0,0,0|2,0,0]=4 45 B21R1.79130 CCCCCCCCCCCC(=O)Nc1ccccc1I WXVL_AG0385SB2796 [1,0,1,0,0,0|2,0,0]=4 46 B23R1.120373 C=C(C)c1ccccc1NC(=O)CCCCCCCCCCC WXVL_AG1668SB2796 [0,1,1,0,0,0|1,0,0]=3 47 B23R1.120373 C=C(C)c1ccccc1NC(=O)CCCCCCCCCCC WXVL_AG1668SB2796 [0,1,1,0,0,0|1,0,0]=3 48 B23R1.120373 CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)C WXVL_AG1053SB2796 [0,1,1,0,0,0|0,0,1]=3 49 B23R1.120373 CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)C WXVL_AG1053SB2796 [0,1,1,0,0,0|0,0,1]=3 50 B23R1.120373 CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)N WXVL_AG0944SB2796 [0,1,1,0,0,0|1,0,0]=3 51 B23R1.120373 CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)N WXVL_AG0944SB2796 [0,1,1,0,0,0|1,0,0]=3 52 B23R1.120373 CCCCCCCCCCCC(=O)Nc1ccccc1C(=S)N WXVL_AG5807SB2796 [0,1,1,0,0,0|1,1,0]=4 53 B23R1.120373 CCCCCCCCCCCC(=O)Nc1ccccc1C(=S)N WXVL_AG5807SB2796 [0,1,1,0,0,0|1,1,0]=4 54 B23R1.120373 CCCCCCCCCCCC(=O)Nc1cccnc1C(=O)N WXVL_AF1129SB2796 [0,1,1,0,0,0|2,0,0]=4 55 B23R1.120373 CCCCCCCCCCCC(=O)Nc1cccnc1C(=O)N WXVL_AF1129SB2796 [0,1,1,0,0,0|2,0,0]=4 56 B23R1.120373 CCCCCCCCCCCC(=O)Nc1cnccc1C(=O)C WXVL_AF0848SB2796 [0,1,1,0,0,0|1,0,1]=4 57 B23R1.120373 CCCCCCCCCCCC(=O)Nc1cnccc1C(=O)C WXVL_AF0848SB2796 [0,1,1,0,0,0|1,0,1]=4 58 B23R1.120373 CCCCCCCCCCCC(=O)Nc1cnccc1C(=O)N WXVL_AF0897SB2796 [0,1,1,0,0,0|2,0,0]=4 59 B23R1.120373 CCCCCCCCCCCC(=O)Nc1cnccc1C(=O)N WXVL_AF0897SB2796 [0,1,1,0,0,0|2,0,0]=4 60 B23R1.120373 CCCCCCCCCCCC(=O)Nc1ncccc1C(=O)C WXVL_AF0536SB2796 [0,1,1,0,0,0|1,0,1]=4 61 B23R1.120373 CCCCCCCCCCCC(=O)Nc1ncccc1C(=O)C WXVL_AF0536SB2796 [0,1,1,0,0,0|1,0,1]=4 62 B23R1.120373 CCCCCCCCCCCC(=O)Nc1ncccc1C(=O)N WXVL_AF0896SB2796 [0,1,1,0,0,0|2,0,0]=4 63 B23R1.120373 CCCCCCCCCCCC(=O)Nc1ncccc1C(=O)N WXVL_AF0896SB2796 [0,1,1,0,0,0|2,0,0]=4 64 B23R1.368990 C=Cc1ccccc1NC(=O)CCCCCCCCCCCBr WXVL_AG2145SB0603 [0,1,1,0,0,0|2,0,0]=4 65 B23R1.368990 C=Cc1ccccc1NC(=O)CCCCCCCCCCCBr WXVL_AG2145SB0603 [0,1,1,0,0,0|2,0,0]=4 66 B23R1.368990 C=Cc1ccccc1NC(=O)CCCCCCCCCCCC WXVL_AG2145SB0547 [0,1,1,0,0,0|2,0,0]=4 67 B23R1.368990 C=Cc1ccccc1NC(=O)CCCCCCCCCCCC WXVL_AG2145SB0547 [0,1,1,0,0,0|2,0,0]=4 68 B21R1.7110 CCCCCCCCCCNC(=O)C(=O)c1ccccc1 WXVL_AK1845SB0050 [0,0,1,0,1,0|2,0,0]=4 69 B21R1.7110 CCCCCCCCCCNC(=O)C(=O)c1ccccc1 WXVL_AK1845SB0050 [0,0,1,0,1,0|2,0,0]=4 70 B20R1.3361 CCCCCCCCCCCC(=O)Nc1ccccc1 WXVL_AG00183SB2796 [2,0,1,0,0,0|0,0,0]=3 71 B20R1.3361 CCCCCCCCCCCC(=O)Nc1ccccc1 WXVL_AG00183SB2796 [2,0,1,0,0,0|0,0,0]=3 72 B20R1.3361 CCCCCCCCCCCC(=O)Nc1ccccn1 WXVL_AF00298SB2796 [2,0,1,0,0,0|1,0,0]=4 73 B20R1.3361 CCCCCCCCCCCC(=O)Nc1ccccn1 WXVL_AF00298SB2796 [2,0,1,0,0,0|1,0,0]=4 74 B22R1.20653 C=C(C)c1ccccc1NC(=O)CCCCCCCCCC WXVL_AG1668SB0490 [1,1,1,0,0,0|1,0,0]=4 75 B22R1.20653 C=C(C)c1ccccc1NC(=O)CCCCCCCCCC WXVL_AG1668SB0490 [1,1,1,0,0,0|1,0,0]=4 76 B22R1.20653 CCCCCCCCCCC(=O)Nc1ccccc1C(=O)C WXVL_AG1053SB0490 [1,1,1,0,0,0|0,0,1]=4 77 B22R1.20653 CCCCCCCCCCC(=O)Nc1ccccc1C(=O)C WXVL_AG1053SB0490 [1,1,1,0,0,0|0,0,1]=4 78 B22R1.20653 CCCCCCCCCCC(=O)Nc1ccccc1C(=O)N WXVL_AG0944SB0490 [1,1,1,0,0,0|1,0,0]=4 79 B22R1.20653 CCCCCCCCCCC(=O)Nc1ccccc1C(=O)N WXVL_AG0944SB0490 [1,1,1,0,0,0|1,0,0]=4 80 B24R1.2793920 CCCCCCCCCCCC(=O)Nc1ccccc1NC(=O)C WXVL_AG0800SB2796 [0,1,1,0,0,1|0,0,1]=4 81 B24R1.2793920 CCCCCCCCCCCC(=O)Nc1ccccc1NC(=O)C WXVL_AG0800SB2796 [0,1,1,0,0,1|0,0,1]=4 82 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)C)Br WXVL_AG1706SB2796 [0,2,1,0,0,0|0,0,1]=4 83 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)C)Br WXVL_AG1706SB2796 [0,2,1,0,0,0|0,0,1]=4 84 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)C)F WXVL_AG2499SB2796 [0,2,1,0,0,0|0,0,1]=4 85 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)C)F WXVL_AG2499SB2796 [0,2,1,0,0,0|0,0,1]=4 86 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)N)Br WXVL_AG2699SB2796 [0,2,1,0,0,0|1,0,0]=4 87 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)N)Br WXVL_AG2699SB2796 [0,2,1,0,0,0|1,0,0]=4 88 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)N)Cl WXVL_AG1307SB2796 [0,2,1,0,0,0|1,0,0]=4 89 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)N)Cl WXVL_AG1307SB2796 [0,2,1,0,0,0|1,0,0]=4 90 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)N)F WXVL_AG1322SB2796 [0,2,1,0,0,0|1,0,0]=4 91 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)N)F WXVL_AG1322SB2796 [0,2,1,0,0,0|1,0,0]=4 92 B24R1.2793923 CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)NC WXVL_AG0954SB2796 [0,2,1,0,0,0|0,0,1]=4 93 B24R1.2793923 CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)NC WXVL_AG0954SB2796 [0,2,1,0,0,0|0,0,1]=4 94 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)C)Br WXVL_AG0389SB2796 [0,2,1,0,0,0|0,0,1]=4 95 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)C)Br WXVL_AG0389SB2796 [0,2,1,0,0,0|0,0,1]=4 96 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)C)Cl WXVL_AG1643SB2796 [0,2,1,0,0,0|0,0,1]=4 97 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)C)Cl WXVL_AG1643SB2796 [0,2,1,0,0,0|0,0,1]=4 98 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)C)F WXVL_AG1665SB2796 [0,2,1,0,0,0|0,0,1]=4 99 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)C)F WXVL_AG1665SB2796 [0,2,1,0,0,0|0,0,1]=4 100 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)Br WXVL_AG0591SB2796 [0,2,1,0,0,0|1,0,0]=4 101 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)Br WXVL_AG0591SB2796 [0,2,1,0,0,0|1,0,0]=4 102 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)C WXVL_AG1746SB2796 [0,2,1,0,0,0|1,0,0]=4 103 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)C WXVL_AG1746SB2796 [0,2,1,0,0,0|1,0,0]=4 104 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)Cl WXVL_AG1718SB2796 [0,2,1,0,0,0|1,0,0]=4 105 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)Cl WXVL_AG1718SB2796 [0,2,1,0,0,0|1,0,0]=4 106 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)F WXVL_AG1310SB2796 [0,2,1,0,0,0|1,0,0]=4 107 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)F WXVL_AG1310SB2796 [0,2,1,0,0,0|1,0,0]=4 108 B24R1.3067296 C=C(C)c1ccccc1NC(=O)CCCCCCCCCCCBr WXVL_AG1668SB0603 [0,2,1,0,0,0|1,0,0]=4 109 B24R1.3067296 C=C(C)c1ccccc1NC(=O)CCCCCCCCCCCBr WXVL_AG1668SB0603 [0,2,1,0,0,0|1,0,0]=4 110 B24R1.3067296 C=C(C)c1ccccc1NC(=O)CCCCCCCCCCCC WXVL_AG1668SB0547 [0,2,1,0,0,0|1,0,0]=4 111 B24R1.3067296 C=C(C)c1ccccc1NC(=O)CCCCCCCCCCCC WXVL_AG1668SB0547 [0,2,1,0,0,0|1,0,0]=4 112 B24R1.3067296 CC(=O)c1ccccc1NC(=O)CCCCCCCCCCCBr WXVL_AG1053SB0603 [0,2,1,0,0,0|0,0,1]=4 113 B24R1.3067296 CC(=O)c1ccccc1NC(=O)CCCCCCCCCCCBr WXVL_AG1053SB0603 [0,2,1,0,0,0|0,0,1]=4 114 B24R1.3067296 CCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)C WXVL_AG1053SB0547 [0,2,1,0,0,0|0,0,1]=4 115 B24R1.3067296 CCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)C WXVL_AG1053SB0547 [0,2,1,0,0,0|0,0,1]=4 116 B24R1.3067296 CCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)N WXVL_AG0944SB0547 [0,2,1,0,0,0|1,0,0]=4 117 B24R1.3067296 CCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)N WXVL_AG0944SB0547 [0,2,1,0,0,0|1,0,0]=4 118 B24R1.3067296 NC(=O)c1ccccc1NC(=O)CCCCCCCCCCCBr WXVL_AG0944SB0603 [0,2,1,0,0,0|1,0,0]=4 119 B24R1.3067296 NC(=O)c1ccccc1NC(=O)CCCCCCCCCCCBr WXVL_AG0944SB0603 [0,2,1,0,0,0|1,0,0]=4 120 B24R1.13488010 CCCCCCCCCCCC(=O)Nc1cccc(c1C(=O)C)F WXVL_AG2246SB2796 [0,2,1,0,0,0|0,0,1]=4 121 B24R1.13488010 CCCCCCCCCCCC(=O)Nc1cccc(c1C(=O)C)F WXVL_AG2246SB2796 [0,2,1,0,0,0|0,0,1]=4 122 B24R1.13488010 CCCCCCCCCCCC(=O)Nc1cccc(c1C(=O)N)F WXVL_AG0570SB2796 [0,2,1,0,0,0|1,0,0]=4 123 B24R1.13488010 CCCCCCCCCCCC(=O)Nc1cccc(c1C(=O)N)F WXVL_AG0570SB2796 [0,2,1,0,0,0|1,0,0]=4 124 B24R1.33504443 CCCCCCCCCCCC(=O)Nc1c(cccc1C(=O)C)Cl WXVL_AG3557SB2796 [0,2,1,0,0,0|0,0,1]=4 125 B24R1.33504443 CCCCCCCCCCCC(=O)Nc1c(cccc1C(=O)C)Cl WXVL_AG3557SB2796 [0,2,1,0,0,0|0,0,1]=4 126 B24R1.33504443 CCCCCCCCCCCC(=O)Nc1c(cccc1C(=O)N)Br WXVL_AG1654SB2796 [0,2,1,0,0,0|1,0,0]=4 127 B24R1.33504443 CCCCCCCCCCCC(=O)Nc1c(cccc1C(=O)N)Br WXVL_AG1654SB2796 [0,2,1,0,0,0|1,0,0]=4 128 B24R1.33504443 CCCCCCCCCCCC(=O)Nc1c(cccc1C(=O)N)C WXVL_AG2191SB2796 [0,2,1,0,0,0|1,0,0]=4 129 B24R1.33504443 CCCCCCCCCCCC(=O)Nc1c(cccc1C(=O)N)C WXVL_AG2191SB2796 [0,2,1,0,0,0|1,0,0]=4