0 B10R1.11 CCNC(=O)c1c[nH]cn1 WXVL_AK00476SC0074 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.11 CCNC(=O)c1c[nH]cn1 WXVL_AK00476SC0074 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.11 CCNC(=O)c1cc[nH]c1 WXVL_AK00476SC0013 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.11 CCNC(=O)c1cc[nH]c1 WXVL_AK00476SC0013 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.11 CCNC(=O)c1cc[nH]n1 WXVL_AK00476SC0003 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.11 CCNC(=O)c1cc[nH]n1 WXVL_AK00476SC0003 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [0,0,0,0,0,0|1,1,0]=2 9 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [0,0,0,0,0,0|1,1,0]=2 10 B10R1.11 CCNC(=O)c1ccno1 WXVL_AK00476SC0080 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.11 CCNC(=O)c1ccno1 WXVL_AK00476SC0080 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.11 CCNC(=O)c1ccns1 WXVL_AK00476SC0027 [0,0,0,0,0,0|2,1,0]=3 13 B10R1.11 CCNC(=O)c1ccns1 WXVL_AK00476SC0027 [0,0,0,0,0,0|2,1,0]=3 14 B10R1.11 CCNC(=O)c1ccoc1 WXVL_AK00476SC0050 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.11 CCNC(=O)c1ccoc1 WXVL_AK00476SC0050 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.11 CCNC(=O)c1ccon1 WXVL_AK00476SC0116 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.11 CCNC(=O)c1ccon1 WXVL_AK00476SC0116 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.11 CCNC(=O)c1ccsc1 WXVL_AK00476SC0054 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.11 CCNC(=O)c1ccsc1 WXVL_AK00476SC0054 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.11 CCNC(=O)c1ccsn1 WXVL_AK00476SC0764 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.11 CCNC(=O)c1ccsn1 WXVL_AK00476SC0764 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.11 CCNC(=O)c1cn[nH]c1 WXVL_AK00476SC0254 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.11 CCNC(=O)c1cn[nH]c1 WXVL_AK00476SC0254 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.11 CCNC(=O)c1cnc[nH]1 WXVL_AK00476SC0247 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.11 CCNC(=O)c1cnc[nH]1 WXVL_AK00476SC0247 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.11 CCNC(=O)c1cnco1 WXVL_AK00476SC0018 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.11 CCNC(=O)c1cnco1 WXVL_AK00476SC0018 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.11 CCNC(=O)c1cncs1 WXVL_AK00476SC0113 [0,0,0,0,0,0|2,1,0]=3 29 B10R1.11 CCNC(=O)c1cncs1 WXVL_AK00476SC0113 [0,0,0,0,0,0|2,1,0]=3 30 B10R1.11 CCNC(=O)c1cnon1 WXVL_AK00476SC0777 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.11 CCNC(=O)c1cnon1 WXVL_AK00476SC0777 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.11 CCNC(=O)c1cnsn1 WXVL_AK00476SC1291 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.11 CCNC(=O)c1cnsn1 WXVL_AK00476SC1291 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.11 CCNC(=O)c1cocn1 WXVL_AK00476SC0118 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.11 CCNC(=O)c1cocn1 WXVL_AK00476SC0118 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.11 CCNC(=O)c1cscn1 WXVL_AK00476SC0092 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.11 CCNC(=O)c1cscn1 WXVL_AK00476SC0092 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.11 CCNC(=O)c1csnn1 WXVL_AK00476SC0002 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.11 CCNC(=O)c1csnn1 WXVL_AK00476SC0002 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.11 CCNC(=O)c1nc[nH]n1 WXVL_AK00476SC0376 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.11 CCNC(=O)c1nc[nH]n1 WXVL_AK00476SC0376 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.11 CCNC(=O)c1nccs1 WXVL_AK00476SC0110 [0,0,0,0,0,0|2,1,0]=3 43 B10R1.11 CCNC(=O)c1nccs1 WXVL_AK00476SC0110 [0,0,0,0,0,0|2,1,0]=3 44 B10R1.11 CCNC(=O)c1nnc[nH]1 WXVL_AK00476SC00053 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.11 CCNC(=O)c1nnc[nH]1 WXVL_AK00476SC00053 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.11 CNC(=O)c1c[nH]cn1 WXVL_AK00442SC0074 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.11 CNC(=O)c1c[nH]cn1 WXVL_AK00442SC0074 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.11 CNC(=O)c1cc[nH]c1 WXVL_AK00442SC0013 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.11 CNC(=O)c1cc[nH]c1 WXVL_AK00442SC0013 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.11 CNC(=O)c1cc[nH]n1 WXVL_AK00442SC0003 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.11 CNC(=O)c1cc[nH]n1 WXVL_AK00442SC0003 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [1,0,0,0,0,0|1,1,0]=3 55 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [1,0,0,0,0,0|1,1,0]=3 56 B9R1.11 CNC(=O)c1ccno1 WXVL_AK00442SC0080 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.11 CNC(=O)c1ccno1 WXVL_AK00442SC0080 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.11 CNC(=O)c1ccns1 WXVL_AK00442SC0027 [1,0,0,0,0,0|2,1,0]=4 59 B9R1.11 CNC(=O)c1ccns1 WXVL_AK00442SC0027 [1,0,0,0,0,0|2,1,0]=4 60 B9R1.11 CNC(=O)c1ccoc1 WXVL_AK00442SC0050 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.11 CNC(=O)c1ccoc1 WXVL_AK00442SC0050 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.11 CNC(=O)c1ccon1 WXVL_AK00442SC0116 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.11 CNC(=O)c1ccon1 WXVL_AK00442SC0116 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.11 CNC(=O)c1ccsc1 WXVL_AK00442SC0054 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.11 CNC(=O)c1ccsc1 WXVL_AK00442SC0054 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.11 CNC(=O)c1ccsn1 WXVL_AK00442SC0764 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.11 CNC(=O)c1ccsn1 WXVL_AK00442SC0764 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.11 CNC(=O)c1cnc[nH]1 WXVL_AK00442SC0247 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.11 CNC(=O)c1cnc[nH]1 WXVL_AK00442SC0247 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.11 CNC(=O)c1cnco1 WXVL_AK00442SC0018 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.11 CNC(=O)c1cnco1 WXVL_AK00442SC0018 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.11 CNC(=O)c1cncs1 WXVL_AK00442SC0113 [1,0,0,0,0,0|2,1,0]=4 73 B9R1.11 CNC(=O)c1cncs1 WXVL_AK00442SC0113 [1,0,0,0,0,0|2,1,0]=4 74 B9R1.11 CNC(=O)c1cocn1 WXVL_AK00442SC0118 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.11 CNC(=O)c1cocn1 WXVL_AK00442SC0118 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.11 CNC(=O)c1cscn1 WXVL_AK00442SC0092 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.11 CNC(=O)c1cscn1 WXVL_AK00442SC0092 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.11 CNC(=O)c1nccs1 WXVL_AK00442SC0110 [1,0,0,0,0,0|2,1,0]=4 79 B9R1.11 CNC(=O)c1nccs1 WXVL_AK00442SC0110 [1,0,0,0,0,0|2,1,0]=4 80 B11R1.15 CCNC(=O)c1c[nH]c(c1)C WXVL_AK00476SC0298 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.15 CCNC(=O)c1c[nH]c(c1)C WXVL_AK00476SC0298 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.15 CCNC(=O)c1c[nH]c(n1)C WXVL_AK00476SC0009 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.15 CCNC(=O)c1c[nH]c(n1)C WXVL_AK00476SC0009 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.15 CCNC(=O)c1cc([nH]n1)C WXVL_AK00476SC0267 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.15 CCNC(=O)c1cc([nH]n1)C WXVL_AK00476SC0267 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.15 CCNC(=O)c1cc(c[nH]1)Br WXVL_AK00476SC0644 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.15 CCNC(=O)c1cc(c[nH]1)Br WXVL_AK00476SC0644 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.15 CCNC(=O)c1cc(c[nH]1)C WXVL_AK00476SC0830 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.15 CCNC(=O)c1cc(c[nH]1)C WXVL_AK00476SC0830 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.15 CCNC(=O)c1cc(c[nH]1)F WXVL_AK00476SC0334 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.15 CCNC(=O)c1cc(c[nH]1)F WXVL_AK00476SC0334 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.15 CCNC(=O)c1cc(cs1)Br WXVL_AK00476SC0188 [0,1,0,0,0,0|1,1,0]=3 93 B11R1.15 CCNC(=O)c1cc(cs1)Br WXVL_AK00476SC0188 [0,1,0,0,0,0|1,1,0]=3 94 B11R1.15 CCNC(=O)c1cc(cs1)C WXVL_AK00476SC0004 [0,1,0,0,0,0|1,1,0]=3 95 B11R1.15 CCNC(=O)c1cc(cs1)C WXVL_AK00476SC0004 [0,1,0,0,0,0|1,1,0]=3 96 B11R1.15 CCNC(=O)c1cc(n[nH]1)C WXVL_AK00476SC2215 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.15 CCNC(=O)c1cc(n[nH]1)C WXVL_AK00476SC2215 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.15 CCNC(=O)c1cc(no1)C WXVL_AK00476SC0089 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.15 CCNC(=O)c1cc(no1)C WXVL_AK00476SC0089 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.15 CCNC(=O)c1cc(no1)O WXVL_AK00476SC0522 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.15 CCNC(=O)c1cc(no1)O WXVL_AK00476SC0522 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.15 CCNC(=O)c1cc(on1)C WXVL_AK00476SC0101 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.15 CCNC(=O)c1cc(on1)C WXVL_AK00476SC0101 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.15 CCNC(=O)c1ccc(o1)C WXVL_AK00476SC0005 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.15 CCNC(=O)c1ccc(o1)C WXVL_AK00476SC0005 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.15 CCNC(=O)c1ccc(o1)Cl WXVL_AK00476SC0926 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.15 CCNC(=O)c1ccc(o1)Cl WXVL_AK00476SC0926 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.15 CCNC(=O)c1ccc(s1)Br WXVL_AK00476SC0359 [0,1,0,0,0,0|1,1,0]=3 109 B11R1.15 CCNC(=O)c1ccc(s1)Br WXVL_AK00476SC0359 [0,1,0,0,0,0|1,1,0]=3 110 B11R1.15 CCNC(=O)c1ccc(s1)C WXVL_AK00476SC0053 [0,1,0,0,0,0|1,1,0]=3 111 B11R1.15 CCNC(=O)c1ccc(s1)C WXVL_AK00476SC0053 [0,1,0,0,0,0|1,1,0]=3 112 B11R1.15 CCNC(=O)c1ccc(s1)Cl WXVL_AK00476SC0067 [0,1,0,0,0,0|1,1,0]=3 113 B11R1.15 CCNC(=O)c1ccc(s1)Cl WXVL_AK00476SC0067 [0,1,0,0,0,0|1,1,0]=3 114 B11R1.15 CCNC(=O)c1ccn(c1)C WXVL_AK00476SC0038 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.15 CCNC(=O)c1ccn(c1)C WXVL_AK00476SC0038 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.15 CCNC(=O)c1ccn(n1)C WXVL_AK00476SC0091 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.15 CCNC(=O)c1ccn(n1)C WXVL_AK00476SC0091 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.15 CCNC(=O)c1cn(cn1)C WXVL_AK00476SC0111 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.15 CCNC(=O)c1cn(cn1)C WXVL_AK00476SC0111 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.15 CCNC(=O)c1cnc([nH]1)O WXVL_AK00476SC0498 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.15 CCNC(=O)c1cnc([nH]1)O WXVL_AK00476SC0498 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.15 CCNC(=O)c1cnc(o1)Br WXVL_AK00476SC0815 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.15 CCNC(=O)c1cnc(o1)Br WXVL_AK00476SC0815 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.15 CCNC(=O)c1cnc(s1)Br WXVL_AK00476SC0723 [0,1,0,0,0,0|2,1,0]=4 125 B11R1.15 CCNC(=O)c1cnc(s1)Br WXVL_AK00476SC0723 [0,1,0,0,0,0|2,1,0]=4 126 B11R1.15 CCNC(=O)c1cnc(s1)C WXVL_AK00476SC0326 [0,1,0,0,0,0|2,1,0]=4 127 B11R1.15 CCNC(=O)c1cnc(s1)C WXVL_AK00476SC0326 [0,1,0,0,0,0|2,1,0]=4 128 B11R1.15 CCNC(=O)c1cnc(s1)Cl WXVL_AK00476SC0638 [0,1,0,0,0,0|2,1,0]=4 129 B11R1.15 CCNC(=O)c1cnc(s1)Cl WXVL_AK00476SC0638 [0,1,0,0,0,0|2,1,0]=4 130 B11R1.15 CCNC(=O)c1coc(n1)C WXVL_AK00476SC0086 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.15 CCNC(=O)c1coc(n1)C WXVL_AK00476SC0086 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.15 CCNC(=O)c1coc(n1)Cl WXVL_AK00476SC1341 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.15 CCNC(=O)c1coc(n1)Cl WXVL_AK00476SC1341 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.15 CCNC(=O)c1csc(c1)Br WXVL_AK00476SC0189 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.15 CCNC(=O)c1csc(c1)Br WXVL_AK00476SC0189 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.15 CCNC(=O)c1csc(n1)C WXVL_AK00476SC0112 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.15 CCNC(=O)c1csc(n1)C WXVL_AK00476SC0112 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.15 CCNC(=O)c1csc(n1)Cl WXVL_AK00476SC0688 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.15 CCNC(=O)c1csc(n1)Cl WXVL_AK00476SC0688 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.15 CCNC(=O)c1nc(cs1)Br WXVL_AK00476SC0687 [0,1,0,0,0,0|2,1,0]=4 141 B11R1.15 CCNC(=O)c1nc(cs1)Br WXVL_AK00476SC0687 [0,1,0,0,0,0|2,1,0]=4 142 B11R1.15 CCNC(=O)c1nc(cs1)C WXVL_AK00476SC0538 [0,1,0,0,0,0|2,1,0]=4 143 B11R1.15 CCNC(=O)c1nc(cs1)C WXVL_AK00476SC0538 [0,1,0,0,0,0|2,1,0]=4 144 B11R1.15 CCNC(=O)c1ncc(s1)C WXVL_AK00476SC0031 [0,1,0,0,0,0|2,1,0]=4 145 B11R1.15 CCNC(=O)c1ncc(s1)C WXVL_AK00476SC0031 [0,1,0,0,0,0|2,1,0]=4 146 B11R1.29 C=CCNC(=O)c1ccco1 WXVL_AK00561SC0049 [0,1,0,0,0,0|0,0,2]=3 147 B11R1.29 C=CCNC(=O)c1ccco1 WXVL_AK00561SC0049 [0,1,0,0,0,0|0,0,2]=3 148 B11R1.29 C=CCNC(=O)c1cccs1 WXVL_AK00561SC0051 [0,1,0,0,0,0|0,1,2]=4 149 B11R1.29 C=CCNC(=O)c1cccs1 WXVL_AK00561SC0051 [0,1,0,0,0,0|0,1,2]=4 150 B11R1.29 C=CCNC(=O)c1ccno1 WXVL_AK00561SC0080 [0,1,0,0,0,0|1,0,2]=4 151 B11R1.29 C=CCNC(=O)c1ccno1 WXVL_AK00561SC0080 [0,1,0,0,0,0|1,0,2]=4 152 B11R1.29 C=CCNC(=O)c1cnco1 WXVL_AK00561SC0018 [0,1,0,0,0,0|1,0,2]=4 153 B11R1.29 C=CCNC(=O)c1cnco1 WXVL_AK00561SC0018 [0,1,0,0,0,0|1,0,2]=4 154 B11R1.29 CCCNC(=O)c1c[nH]cn1 WXVL_AK00504SC0074 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.29 CCCNC(=O)c1c[nH]cn1 WXVL_AK00504SC0074 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.29 CCCNC(=O)c1cc[nH]c1 WXVL_AK00504SC0013 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.29 CCCNC(=O)c1cc[nH]c1 WXVL_AK00504SC0013 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.29 CCCNC(=O)c1cc[nH]n1 WXVL_AK00504SC0003 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.29 CCCNC(=O)c1cc[nH]n1 WXVL_AK00504SC0003 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.29 CCCNC(=O)c1ccco1 WXVL_AK00504SC0049 [0,1,0,0,0,0|0,0,0]=1 161 B11R1.29 CCCNC(=O)c1ccco1 WXVL_AK00504SC0049 [0,1,0,0,0,0|0,0,0]=1 162 B11R1.29 CCCNC(=O)c1cccs1 WXVL_AK00504SC0051 [0,1,0,0,0,0|0,1,0]=2 163 B11R1.29 CCCNC(=O)c1cccs1 WXVL_AK00504SC0051 [0,1,0,0,0,0|0,1,0]=2 164 B11R1.29 CCCNC(=O)c1ccno1 WXVL_AK00504SC0080 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.29 CCCNC(=O)c1ccno1 WXVL_AK00504SC0080 [0,1,0,0,0,0|1,0,0]=2 166 B11R1.29 CCCNC(=O)c1ccns1 WXVL_AK00504SC0027 [0,1,0,0,0,0|1,1,0]=3 167 B11R1.29 CCCNC(=O)c1ccns1 WXVL_AK00504SC0027 [0,1,0,0,0,0|1,1,0]=3 168 B11R1.29 CCCNC(=O)c1ccoc1 WXVL_AK00504SC0050 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.29 CCCNC(=O)c1ccoc1 WXVL_AK00504SC0050 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.29 CCCNC(=O)c1ccon1 WXVL_AK00504SC0116 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.29 CCCNC(=O)c1ccon1 WXVL_AK00504SC0116 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.29 CCCNC(=O)c1ccsc1 WXVL_AK00504SC0054 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.29 CCCNC(=O)c1ccsc1 WXVL_AK00504SC0054 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.29 CCCNC(=O)c1ccsn1 WXVL_AK00504SC0764 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.29 CCCNC(=O)c1ccsn1 WXVL_AK00504SC0764 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.29 CCCNC(=O)c1cn[nH]c1 WXVL_AK00504SC0254 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.29 CCCNC(=O)c1cn[nH]c1 WXVL_AK00504SC0254 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.29 CCCNC(=O)c1cnc[nH]1 WXVL_AK00504SC0247 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.29 CCCNC(=O)c1cnc[nH]1 WXVL_AK00504SC0247 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.29 CCCNC(=O)c1cnco1 WXVL_AK00504SC0018 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.29 CCCNC(=O)c1cnco1 WXVL_AK00504SC0018 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.29 CCCNC(=O)c1cncs1 WXVL_AK00504SC0113 [0,1,0,0,0,0|1,1,0]=3 183 B11R1.29 CCCNC(=O)c1cncs1 WXVL_AK00504SC0113 [0,1,0,0,0,0|1,1,0]=3 184 B11R1.29 CCCNC(=O)c1cnon1 WXVL_AK00504SC0777 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.29 CCCNC(=O)c1cnon1 WXVL_AK00504SC0777 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.29 CCCNC(=O)c1cnsn1 WXVL_AK00504SC1291 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.29 CCCNC(=O)c1cnsn1 WXVL_AK00504SC1291 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.29 CCCNC(=O)c1cocn1 WXVL_AK00504SC0118 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.29 CCCNC(=O)c1cocn1 WXVL_AK00504SC0118 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.29 CCCNC(=O)c1cscn1 WXVL_AK00504SC0092 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.29 CCCNC(=O)c1cscn1 WXVL_AK00504SC0092 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.29 CCCNC(=O)c1csnn1 WXVL_AK00504SC0002 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.29 CCCNC(=O)c1csnn1 WXVL_AK00504SC0002 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.29 CCCNC(=O)c1nc[nH]n1 WXVL_AK00504SC0376 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.29 CCCNC(=O)c1nc[nH]n1 WXVL_AK00504SC0376 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.29 CCCNC(=O)c1nccs1 WXVL_AK00504SC0110 [0,1,0,0,0,0|1,1,0]=3 197 B11R1.29 CCCNC(=O)c1nccs1 WXVL_AK00504SC0110 [0,1,0,0,0,0|1,1,0]=3 198 B11R1.29 CCCNC(=O)c1nnc[nH]1 WXVL_AK00504SC00053 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.29 CCCNC(=O)c1nnc[nH]1 WXVL_AK00504SC00053 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.29 N#CCNC(=O)c1ccco1 WXVL_AK0683SC0049 [0,1,0,0,0,0|1,0,1]=3 201 B11R1.29 N#CCNC(=O)c1ccco1 WXVL_AK0683SC0049 [0,1,0,0,0,0|1,0,1]=3 202 B11R1.29 N#CCNC(=O)c1cccs1 WXVL_AK0683SC0051 [0,1,0,0,0,0|1,1,1]=4 203 B11R1.29 N#CCNC(=O)c1cccs1 WXVL_AK0683SC0051 [0,1,0,0,0,0|1,1,1]=4 204 B11R1.29 N#CCNC(=O)c1ccno1 WXVL_AK0683SC0080 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.29 N#CCNC(=O)c1ccno1 WXVL_AK0683SC0080 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.29 N#CCNC(=O)c1cnco1 WXVL_AK0683SC0018 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.29 N#CCNC(=O)c1cnco1 WXVL_AK0683SC0018 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.29 O=C(NCCF)c1c[nH]cn1 WXVL_AK00466SC0074 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.29 O=C(NCCF)c1c[nH]cn1 WXVL_AK00466SC0074 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.29 O=C(NCCF)c1cc[nH]c1 WXVL_AK00466SC0013 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.29 O=C(NCCF)c1cc[nH]c1 WXVL_AK00466SC0013 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.29 O=C(NCCF)c1cc[nH]n1 WXVL_AK00466SC0003 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.29 O=C(NCCF)c1cc[nH]n1 WXVL_AK00466SC0003 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.29 O=C(NCCF)c1ccco1 WXVL_AK00466SC0049 [0,1,0,0,0,0|1,0,0]=2 215 B11R1.29 O=C(NCCF)c1ccco1 WXVL_AK00466SC0049 [0,1,0,0,0,0|1,0,0]=2 216 B11R1.29 O=C(NCCF)c1cccs1 WXVL_AK00466SC0051 [0,1,0,0,0,0|1,1,0]=3 217 B11R1.29 O=C(NCCF)c1cccs1 WXVL_AK00466SC0051 [0,1,0,0,0,0|1,1,0]=3 218 B11R1.29 O=C(NCCF)c1ccno1 WXVL_AK00466SC0080 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.29 O=C(NCCF)c1ccno1 WXVL_AK00466SC0080 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.29 O=C(NCCF)c1ccns1 WXVL_AK00466SC0027 [0,1,0,0,0,0|2,1,0]=4 221 B11R1.29 O=C(NCCF)c1ccns1 WXVL_AK00466SC0027 [0,1,0,0,0,0|2,1,0]=4 222 B11R1.29 O=C(NCCF)c1ccoc1 WXVL_AK00466SC0050 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.29 O=C(NCCF)c1ccoc1 WXVL_AK00466SC0050 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.29 O=C(NCCF)c1ccon1 WXVL_AK00466SC0116 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.29 O=C(NCCF)c1ccon1 WXVL_AK00466SC0116 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.29 O=C(NCCF)c1ccsc1 WXVL_AK00466SC0054 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.29 O=C(NCCF)c1ccsc1 WXVL_AK00466SC0054 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.29 O=C(NCCF)c1ccsn1 WXVL_AK00466SC0764 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.29 O=C(NCCF)c1ccsn1 WXVL_AK00466SC0764 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.29 O=C(NCCF)c1cnc[nH]1 WXVL_AK00466SC0247 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.29 O=C(NCCF)c1cnc[nH]1 WXVL_AK00466SC0247 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.29 O=C(NCCF)c1cnco1 WXVL_AK00466SC0018 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.29 O=C(NCCF)c1cnco1 WXVL_AK00466SC0018 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.29 O=C(NCCF)c1cncs1 WXVL_AK00466SC0113 [0,1,0,0,0,0|2,1,0]=4 235 B11R1.29 O=C(NCCF)c1cncs1 WXVL_AK00466SC0113 [0,1,0,0,0,0|2,1,0]=4 236 B11R1.29 O=C(NCCF)c1cocn1 WXVL_AK00466SC0118 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.29 O=C(NCCF)c1cocn1 WXVL_AK00466SC0118 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.29 O=C(NCCF)c1cscn1 WXVL_AK00466SC0092 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.29 O=C(NCCF)c1cscn1 WXVL_AK00466SC0092 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.29 O=C(NCCF)c1nccs1 WXVL_AK00466SC0110 [0,1,0,0,0,0|2,1,0]=4 241 B11R1.29 O=C(NCCF)c1nccs1 WXVL_AK00466SC0110 [0,1,0,0,0,0|2,1,0]=4 242 B11R1.31 CNC(=O)C(=O)c1ccco1 WXVL_AK00442SA0049 [0,1,0,0,0,0|1,0,1]=3 243 B11R1.31 CNC(=O)C(=O)c1ccco1 WXVL_AK00442SA0049 [0,1,0,0,0,0|1,0,1]=3 244 B11R1.33 CCNS(=O)(=O)c1cccs1 WXVL_AK00476HU0005 [0,1,0,0,0,0|2,1,0]=4 245 B11R1.33 CCNS(=O)(=O)c1cccs1 WXVL_AK00476HU0005 [0,1,0,0,0,0|2,1,0]=4 246 B11R1.77 CC(C)NC(=O)c1c[nH]cn1 WXVL_AK0030SC0074 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.77 CC(C)NC(=O)c1c[nH]cn1 WXVL_AK0030SC0074 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.77 CC(C)NC(=O)c1cc[nH]c1 WXVL_AK0030SC0013 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.77 CC(C)NC(=O)c1cc[nH]c1 WXVL_AK0030SC0013 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.77 CC(C)NC(=O)c1cc[nH]n1 WXVL_AK0030SC0003 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.77 CC(C)NC(=O)c1cc[nH]n1 WXVL_AK0030SC0003 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.77 CC(C)NC(=O)c1ccco1 WXVL_AK0030SC0049 [0,1,0,0,0,0|1,0,0]=2 253 B11R1.77 CC(C)NC(=O)c1ccco1 WXVL_AK0030SC0049 [0,1,0,0,0,0|1,0,0]=2 254 B11R1.77 CC(C)NC(=O)c1cccs1 WXVL_AK0030SC0051 [0,1,0,0,0,0|1,1,0]=3 255 B11R1.77 CC(C)NC(=O)c1cccs1 WXVL_AK0030SC0051 [0,1,0,0,0,0|1,1,0]=3 256 B11R1.77 CC(C)NC(=O)c1ccno1 WXVL_AK0030SC0080 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.77 CC(C)NC(=O)c1ccno1 WXVL_AK0030SC0080 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.77 CC(C)NC(=O)c1ccns1 WXVL_AK0030SC0027 [0,1,0,0,0,0|2,1,0]=4 259 B11R1.77 CC(C)NC(=O)c1ccns1 WXVL_AK0030SC0027 [0,1,0,0,0,0|2,1,0]=4 260 B11R1.77 CC(C)NC(=O)c1ccoc1 WXVL_AK0030SC0050 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.77 CC(C)NC(=O)c1ccoc1 WXVL_AK0030SC0050 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.77 CC(C)NC(=O)c1ccon1 WXVL_AK0030SC0116 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.77 CC(C)NC(=O)c1ccon1 WXVL_AK0030SC0116 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.77 CC(C)NC(=O)c1ccsc1 WXVL_AK0030SC0054 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.77 CC(C)NC(=O)c1ccsc1 WXVL_AK0030SC0054 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.77 CC(C)NC(=O)c1ccsn1 WXVL_AK0030SC0764 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.77 CC(C)NC(=O)c1ccsn1 WXVL_AK0030SC0764 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.77 CC(C)NC(=O)c1cnc[nH]1 WXVL_AK0030SC0247 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.77 CC(C)NC(=O)c1cnc[nH]1 WXVL_AK0030SC0247 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.77 CC(C)NC(=O)c1cnco1 WXVL_AK0030SC0018 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.77 CC(C)NC(=O)c1cnco1 WXVL_AK0030SC0018 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.77 CC(C)NC(=O)c1cncs1 WXVL_AK0030SC0113 [0,1,0,0,0,0|2,1,0]=4 273 B11R1.77 CC(C)NC(=O)c1cncs1 WXVL_AK0030SC0113 [0,1,0,0,0,0|2,1,0]=4 274 B11R1.77 CC(C)NC(=O)c1cocn1 WXVL_AK0030SC0118 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.77 CC(C)NC(=O)c1cocn1 WXVL_AK0030SC0118 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.77 CC(C)NC(=O)c1cscn1 WXVL_AK0030SC0092 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.77 CC(C)NC(=O)c1cscn1 WXVL_AK0030SC0092 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.77 CC(C)NC(=O)c1nccs1 WXVL_AK0030SC0110 [0,1,0,0,0,0|2,1,0]=4 279 B11R1.77 CC(C)NC(=O)c1nccs1 WXVL_AK0030SC0110 [0,1,0,0,0,0|2,1,0]=4 280 B11R1.199 CCNC(=O)c1[nH]ccc1C WXVL_AK00476SC1315 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.199 CCNC(=O)c1[nH]ccc1C WXVL_AK00476SC1315 [0,1,0,0,0,0|2,0,0]=3 282 B11R1.199 CCNC(=O)c1[nH]cnc1C WXVL_AK00476SC0269 [0,1,0,0,0,0|3,0,0]=4 283 B11R1.199 CCNC(=O)c1[nH]cnc1C WXVL_AK00476SC0269 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.199 CCNC(=O)c1c[nH]cc1C WXVL_AK00476SC0251 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.199 CCNC(=O)c1c[nH]cc1C WXVL_AK00476SC0251 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.199 CCNC(=O)c1ccnn1C WXVL_AK00476SC0090 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.199 CCNC(=O)c1ccnn1C WXVL_AK00476SC0090 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.199 CCNC(=O)c1ccsc1C WXVL_AK00476SC1037 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.199 CCNC(=O)c1ccsc1C WXVL_AK00476SC1037 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.199 CCNC(=O)c1ccsc1Cl WXVL_AK00476SC0794 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.199 CCNC(=O)c1ccsc1Cl WXVL_AK00476SC0794 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.199 CCNC(=O)c1cncn1C WXVL_AK00476SC0099 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.199 CCNC(=O)c1cncn1C WXVL_AK00476SC0099 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.199 CCNC(=O)c1cscc1Br WXVL_AK00476SC1024 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.199 CCNC(=O)c1cscc1Br WXVL_AK00476SC1024 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.199 CCNC(=O)c1cscc1C WXVL_AK00476SC0257 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.199 CCNC(=O)c1cscc1C WXVL_AK00476SC0257 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.199 CCNC(=O)c1n[nH]cc1I WXVL_AK00476SC0442 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.199 CCNC(=O)c1n[nH]cc1I WXVL_AK00476SC0442 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.199 CCNC(=O)c1nccn1C WXVL_AK00476SC0106 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.199 CCNC(=O)c1nccn1C WXVL_AK00476SC0106 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.199 CCNC(=O)c1ncoc1C WXVL_AK00476SC0732 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.199 CCNC(=O)c1ncoc1C WXVL_AK00476SC0732 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.199 CCNC(=O)c1ncsc1Br WXVL_AK00476SC0192 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.199 CCNC(=O)c1ncsc1Br WXVL_AK00476SC0192 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.199 CCNC(=O)c1ncsc1C WXVL_AK00476SC0722 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.199 CCNC(=O)c1ncsc1C WXVL_AK00476SC0722 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.199 CCNC(=O)c1occc1Br WXVL_AK00476SC0241 [0,1,0,0,0,0|1,0,0]=2 309 B11R1.199 CCNC(=O)c1occc1Br WXVL_AK00476SC0241 [0,1,0,0,0,0|1,0,0]=2 310 B11R1.199 CCNC(=O)c1occc1C WXVL_AK00476SC0230 [0,1,0,0,0,0|1,0,0]=2 311 B11R1.199 CCNC(=O)c1occc1C WXVL_AK00476SC0230 [0,1,0,0,0,0|1,0,0]=2 312 B11R1.199 CCNC(=O)c1ocnc1C WXVL_AK00476SC0103 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.199 CCNC(=O)c1ocnc1C WXVL_AK00476SC0103 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.199 CCNC(=O)c1oncc1C WXVL_AK00476SC0912 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.199 CCNC(=O)c1oncc1C WXVL_AK00476SC0912 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.199 CCNC(=O)c1sccc1Br WXVL_AK00476SC0364 [0,1,0,0,0,0|1,1,0]=3 317 B11R1.199 CCNC(=O)c1sccc1Br WXVL_AK00476SC0364 [0,1,0,0,0,0|1,1,0]=3 318 B11R1.199 CCNC(=O)c1sccc1C WXVL_AK00476SC0052 [0,1,0,0,0,0|1,1,0]=3 319 B11R1.199 CCNC(=O)c1sccc1C WXVL_AK00476SC0052 [0,1,0,0,0,0|1,1,0]=3 320 B11R1.199 CCNC(=O)c1sccc1Cl WXVL_AK00476SC0756 [0,1,0,0,0,0|1,1,0]=3 321 B11R1.199 CCNC(=O)c1sccc1Cl WXVL_AK00476SC0756 [0,1,0,0,0,0|1,1,0]=3 322 B11R1.199 CCNC(=O)c1sccc1F WXVL_AK00476SC0017 [0,1,0,0,0,0|1,1,0]=3 323 B11R1.199 CCNC(=O)c1sccc1F WXVL_AK00476SC0017 [0,1,0,0,0,0|1,1,0]=3 324 B11R1.199 CCNC(=O)c1sccc1I WXVL_AK00476SC1579 [0,1,0,0,0,0|1,1,0]=3 325 B11R1.199 CCNC(=O)c1sccc1I WXVL_AK00476SC1579 [0,1,0,0,0,0|1,1,0]=3 326 B11R1.199 CCNC(=O)c1scnc1C WXVL_AK00476SC0093 [0,1,0,0,0,0|2,1,0]=4 327 B11R1.199 CCNC(=O)c1scnc1C WXVL_AK00476SC0093 [0,1,0,0,0,0|2,1,0]=4 328 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,0,1,0,0,0|2,0,0]=3 329 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,0,1,0,0,0|2,0,0]=3 330 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,0,1,0,0,0|2,0,1]=4 331 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,0,1,0,0,0|2,0,1]=4 332 B11R2.2 C1=C(CCC1)c2cccs2 WXVL_LR0498BT0967 [0,0,0,1,0,0|1,1,0]=3 333 B11R2.2 C1=C(CCC1)c2ccon2 WXVL_LR0685BT0967 [0,0,0,1,0,0|3,0,0]=4 334 B11R2.2 C1=C(CCC1)c2cnc[nH]2 WXVL_LR0418BT0967 [0,0,0,1,0,0|3,0,0]=4 335 B11R2.2 C1=C(CCO1)c2cccs2 WXVL_LR0498BT5753 [0,0,0,1,0,0|2,1,0]=4 336 B11R2.2 C1=C(COC1)c2cccs2 WXVL_LR0498BT1456 [0,0,0,1,0,0|2,1,0]=4 337 B11R1.16 CCNC(=O)C1=CCCCO1 WXVL_AK00476SB4858 [0,0,0,0,0,1|1,0,2]=4 338 B11R1.16 CCNC(=O)C1=CCCCO1 WXVL_AK00476SB4858 [0,0,0,0,0,1|1,0,2]=4 339 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,0,0,0,0,1|2,0,0]=3 340 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,0,0,0,0,1|2,0,0]=3 341 B11R1.16 CCNC(=O)c1ccccn1 WXVL_AK00476SC0058 [0,0,0,0,0,1|2,0,0]=3 342 B11R1.16 CCNC(=O)c1ccccn1 WXVL_AK00476SC0058 [0,0,0,0,0,1|2,0,0]=3 343 B11R1.16 CCNC(=O)c1cccnc1 WXVL_AK00476SC0061 [0,0,0,0,0,1|2,0,0]=3 344 B11R1.16 CCNC(=O)c1cccnc1 WXVL_AK00476SC0061 [0,0,0,0,0,1|2,0,0]=3 345 B11R1.16 CCNC(=O)c1cccnn1 WXVL_AK00476SC0374 [0,0,0,0,0,1|2,0,0]=3 346 B11R1.16 CCNC(=O)c1cccnn1 WXVL_AK00476SC0374 [0,0,0,0,0,1|2,0,0]=3 347 B11R1.16 CCNC(=O)c1ccncc1 WXVL_AK00476SC0062 [0,0,0,0,0,1|2,0,0]=3 348 B11R1.16 CCNC(=O)c1ccncc1 WXVL_AK00476SC0062 [0,0,0,0,0,1|2,0,0]=3 349 B11R1.16 CCNC(=O)c1ccncn1 WXVL_AK00476SC0231 [0,0,0,0,0,1|2,0,0]=3 350 B11R1.16 CCNC(=O)c1ccncn1 WXVL_AK00476SC0231 [0,0,0,0,0,1|2,0,0]=3 351 B11R1.16 CCNC(=O)c1ccnnc1 WXVL_AK00476SC0064 [0,0,0,0,0,1|3,0,0]=4 352 B11R1.16 CCNC(=O)c1ccnnc1 WXVL_AK00476SC0064 [0,0,0,0,0,1|3,0,0]=4 353 B11R1.16 CCNC(=O)c1cncnc1 WXVL_AK00476SC0097 [0,0,0,0,0,1|3,0,0]=4 354 B11R1.16 CCNC(=O)c1cncnc1 WXVL_AK00476SC0097 [0,0,0,0,0,1|3,0,0]=4 355 B11R1.16 CCNC(=O)c1ncccn1 WXVL_AK00476SC0096 [0,0,0,0,0,1|2,0,0]=3 356 B11R1.16 CCNC(=O)c1ncccn1 WXVL_AK00476SC0096 [0,0,0,0,0,1|2,0,0]=3 357 B11R1.30 C#CCC(=O)Nc1ccno1 WXVL_AF0588SB3070 [0,0,0,0,0,1|1,0,2]=4 358 B11R1.30 C#CCC(=O)Nc1ccno1 WXVL_AF0588SB3070 [0,0,0,0,0,1|1,0,2]=4 359 B11R1.30 C#CCC(=O)Nc1ncco1 WXVL_AF0235SB3070 [0,0,0,0,0,1|1,0,2]=4 360 B11R1.30 C#CCC(=O)Nc1ncco1 WXVL_AF0235SB3070 [0,0,0,0,0,1|1,0,2]=4 361 B11R1.30 C/C=C/C(=O)Nc1ccno1 WXVL_AF0588SB0340 [0,0,0,0,0,1|1,0,2]=4 362 B11R1.30 C/C=C/C(=O)Nc1ccno1 WXVL_AF0588SB0340 [0,0,0,0,0,1|1,0,2]=4 363 B11R1.30 C/C=C/C(=O)Nc1ncco1 WXVL_AF0235SB0340 [0,0,0,0,0,1|1,0,2]=4 364 B11R1.30 C/C=C/C(=O)Nc1ncco1 WXVL_AF0235SB0340 [0,0,0,0,0,1|1,0,2]=4 365 B11R1.30 C=CCC(=O)Nc1ccno1 WXVL_AF0588SB2732 [0,0,0,0,0,1|1,0,2]=4 366 B11R1.30 C=CCC(=O)Nc1ccno1 WXVL_AF0588SB2732 [0,0,0,0,0,1|1,0,2]=4 367 B11R1.30 C=CCC(=O)Nc1ncco1 WXVL_AF0235SB2732 [0,0,0,0,0,1|1,0,2]=4 368 B11R1.30 C=CCC(=O)Nc1ncco1 WXVL_AF0235SB2732 [0,0,0,0,0,1|1,0,2]=4 369 B11R1.30 CC#CC(=O)Nc1ccno1 WXVL_AF0588SB1240 [0,0,0,0,0,1|1,0,2]=4 370 B11R1.30 CC#CC(=O)Nc1ccno1 WXVL_AF0588SB1240 [0,0,0,0,0,1|1,0,2]=4 371 B11R1.30 CC#CC(=O)Nc1ncco1 WXVL_AF0235SB1240 [0,0,0,0,0,1|1,0,2]=4 372 B11R1.30 CC#CC(=O)Nc1ncco1 WXVL_AF0235SB1240 [0,0,0,0,0,1|1,0,2]=4 373 B11R1.30 CCCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0073 [0,0,0,0,0,1|2,0,0]=3 374 B11R1.30 CCCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0073 [0,0,0,0,0,1|2,0,0]=3 375 B11R1.30 CCCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0073 [0,0,0,0,0,1|2,0,0]=3 376 B11R1.30 CCCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0073 [0,0,0,0,0,1|2,0,0]=3 377 B11R1.30 CCCC(=O)Nc1ccno1 WXVL_AF0588SB0073 [0,0,0,0,0,1|1,0,0]=2 378 B11R1.30 CCCC(=O)Nc1ccno1 WXVL_AF0588SB0073 [0,0,0,0,0,1|1,0,0]=2 379 B11R1.30 CCCC(=O)Nc1ccns1 WXVL_AF00325SB0073 [0,0,0,0,0,1|1,1,0]=3 380 B11R1.30 CCCC(=O)Nc1ccns1 WXVL_AF00325SB0073 [0,0,0,0,0,1|1,1,0]=3 381 B11R1.30 CCCC(=O)Nc1ccon1 WXVL_AF0028SB0073 [0,0,0,0,0,1|2,0,0]=3 382 B11R1.30 CCCC(=O)Nc1ccon1 WXVL_AF0028SB0073 [0,0,0,0,0,1|2,0,0]=3 383 B11R1.30 CCCC(=O)Nc1ccsc1 WXVL_AF00105SB0073 [0,0,0,0,0,1|2,0,0]=3 384 B11R1.30 CCCC(=O)Nc1ccsc1 WXVL_AF00105SB0073 [0,0,0,0,0,1|2,0,0]=3 385 B11R1.30 CCCC(=O)Nc1cn[nH]c1 WXVL_AF0097SB0073 [0,0,0,0,0,1|3,0,0]=4 386 B11R1.30 CCCC(=O)Nc1cn[nH]c1 WXVL_AF0097SB0073 [0,0,0,0,0,1|3,0,0]=4 387 B11R1.30 CCCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0073 [0,0,0,0,0,1|2,0,0]=3 388 B11R1.30 CCCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0073 [0,0,0,0,0,1|2,0,0]=3 389 B11R1.30 CCCC(=O)Nc1cncs1 WXVL_AF0724SB0073 [0,0,0,0,0,1|1,1,0]=3 390 B11R1.30 CCCC(=O)Nc1cncs1 WXVL_AF0724SB0073 [0,0,0,0,0,1|1,1,0]=3 391 B11R1.30 CCCC(=O)Nc1cnns1 WXVL_AF1103SB0073 [0,0,0,0,0,1|2,1,0]=4 392 B11R1.30 CCCC(=O)Nc1cnns1 WXVL_AF1103SB0073 [0,0,0,0,0,1|2,1,0]=4 393 B11R1.30 CCCC(=O)Nc1cnoc1 WXVL_AF0677SB0073 [0,0,0,0,0,1|3,0,0]=4 394 B11R1.30 CCCC(=O)Nc1cnoc1 WXVL_AF0677SB0073 [0,0,0,0,0,1|3,0,0]=4 395 B11R1.30 CCCC(=O)Nc1cnsc1 WXVL_AF00176SB0073 [0,0,0,0,0,1|3,0,0]=4 396 B11R1.30 CCCC(=O)Nc1cnsc1 WXVL_AF00176SB0073 [0,0,0,0,0,1|3,0,0]=4 397 B11R1.30 CCCC(=O)Nc1cscn1 WXVL_AF00216SB0073 [0,0,0,0,0,1|2,0,0]=3 398 B11R1.30 CCCC(=O)Nc1cscn1 WXVL_AF00216SB0073 [0,0,0,0,0,1|2,0,0]=3 399 B11R1.30 CCCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0073 [0,0,0,0,0,1|2,0,0]=3 400 B11R1.30 CCCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0073 [0,0,0,0,0,1|2,0,0]=3 401 B11R1.30 CCCC(=O)Nc1ncco1 WXVL_AF0235SB0073 [0,0,0,0,0,1|1,0,0]=2 402 B11R1.30 CCCC(=O)Nc1ncco1 WXVL_AF0235SB0073 [0,0,0,0,0,1|1,0,0]=2 403 B11R1.30 CCCC(=O)Nc1nccs1 WXVL_AF0003SB0073 [0,0,0,0,0,1|1,1,0]=3 404 B11R1.30 CCCC(=O)Nc1nccs1 WXVL_AF0003SB0073 [0,0,0,0,0,1|1,1,0]=3 405 B11R1.30 CCCC(=O)Nc1ncns1 WXVL_AF2937SB0073 [0,0,0,0,0,1|2,1,0]=4 406 B11R1.30 CCCC(=O)Nc1ncns1 WXVL_AF2937SB0073 [0,0,0,0,0,1|2,1,0]=4 407 B11R1.30 CCCC(=O)Nc1nnco1 WXVL_AF0087SB0073 [0,0,0,0,0,1|2,0,0]=3 408 B11R1.30 CCCC(=O)Nc1nnco1 WXVL_AF0087SB0073 [0,0,0,0,0,1|2,0,0]=3 409 B11R1.30 CCNC(=O)Cc1cccs1 WXVL_AK00476SA0018 [0,0,0,0,0,1|1,1,0]=3 410 B11R1.30 CCNC(=O)Cc1cccs1 WXVL_AK00476SA0018 [0,0,0,0,0,1|1,1,0]=3 411 B11R1.30 CCNC(=O)Cc1ccn[nH]1 WXVL_AK00476SA00008 [0,0,0,0,0,1|3,0,0]=4 412 B11R1.30 CCNC(=O)Cc1ccn[nH]1 WXVL_AK00476SA00008 [0,0,0,0,0,1|3,0,0]=4 413 B11R1.30 CCNC(=O)Cc1ccsc1 WXVL_AK00476SA0020 [0,0,0,0,0,1|3,0,0]=4 414 B11R1.30 CCNC(=O)Cc1ccsc1 WXVL_AK00476SA0020 [0,0,0,0,0,1|3,0,0]=4 415 B11R1.30 CCNC(=O)Cc1cscn1 WXVL_AK00476SA0012 [0,0,0,0,0,1|3,0,0]=4 416 B11R1.30 CCNC(=O)Cc1cscn1 WXVL_AK00476SA0012 [0,0,0,0,0,1|3,0,0]=4 417 B11R1.30 CCNC(=O)Cn1cccn1 WXVL_AK00476SA0030 [0,0,0,0,0,1|3,0,0]=4 418 B11R1.30 CCNC(=O)Cn1cccn1 WXVL_AK00476SA0030 [0,0,0,0,0,1|3,0,0]=4 419 B11R1.30 COCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0090 [0,0,0,0,0,1|3,0,0]=4 420 B11R1.30 COCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0090 [0,0,0,0,0,1|3,0,0]=4 421 B11R1.30 COCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0090 [0,0,0,0,0,1|3,0,0]=4 422 B11R1.30 COCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0090 [0,0,0,0,0,1|3,0,0]=4 423 B11R1.30 COCC(=O)Nc1ccno1 WXVL_AF0588SB0090 [0,0,0,0,0,1|2,0,0]=3 424 B11R1.30 COCC(=O)Nc1ccno1 WXVL_AF0588SB0090 [0,0,0,0,0,1|2,0,0]=3 425 B11R1.30 COCC(=O)Nc1ccns1 WXVL_AF00325SB0090 [0,0,0,0,0,1|2,1,0]=4 426 B11R1.30 COCC(=O)Nc1ccns1 WXVL_AF00325SB0090 [0,0,0,0,0,1|2,1,0]=4 427 B11R1.30 COCC(=O)Nc1ccon1 WXVL_AF0028SB0090 [0,0,0,0,0,1|3,0,0]=4 428 B11R1.30 COCC(=O)Nc1ccon1 WXVL_AF0028SB0090 [0,0,0,0,0,1|3,0,0]=4 429 B11R1.30 COCC(=O)Nc1ccsc1 WXVL_AF00105SB0090 [0,0,0,0,0,1|3,0,0]=4 430 B11R1.30 COCC(=O)Nc1ccsc1 WXVL_AF00105SB0090 [0,0,0,0,0,1|3,0,0]=4 431 B11R1.30 COCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0090 [0,0,0,0,0,1|3,0,0]=4 432 B11R1.30 COCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0090 [0,0,0,0,0,1|3,0,0]=4 433 B11R1.30 COCC(=O)Nc1cncs1 WXVL_AF0724SB0090 [0,0,0,0,0,1|2,1,0]=4 434 B11R1.30 COCC(=O)Nc1cncs1 WXVL_AF0724SB0090 [0,0,0,0,0,1|2,1,0]=4 435 B11R1.30 COCC(=O)Nc1cscn1 WXVL_AF00216SB0090 [0,0,0,0,0,1|3,0,0]=4 436 B11R1.30 COCC(=O)Nc1cscn1 WXVL_AF00216SB0090 [0,0,0,0,0,1|3,0,0]=4 437 B11R1.30 COCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0090 [0,0,0,0,0,1|3,0,0]=4 438 B11R1.30 COCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0090 [0,0,0,0,0,1|3,0,0]=4 439 B11R1.30 COCC(=O)Nc1ncco1 WXVL_AF0235SB0090 [0,0,0,0,0,1|2,0,0]=3 440 B11R1.30 COCC(=O)Nc1ncco1 WXVL_AF0235SB0090 [0,0,0,0,0,1|2,0,0]=3 441 B11R1.30 COCC(=O)Nc1nccs1 WXVL_AF0003SB0090 [0,0,0,0,0,1|2,1,0]=4 442 B11R1.30 COCC(=O)Nc1nccs1 WXVL_AF0003SB0090 [0,0,0,0,0,1|2,1,0]=4 443 B11R1.30 COCC(=O)Nc1nnco1 WXVL_AF0087SB0090 [0,0,0,0,0,1|3,0,0]=4 444 B11R1.30 COCC(=O)Nc1nnco1 WXVL_AF0087SB0090 [0,0,0,0,0,1|3,0,0]=4 445 B11R1.30 CSCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB1267 [0,0,0,0,0,1|3,0,0]=4 446 B11R1.30 CSCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB1267 [0,0,0,0,0,1|3,0,0]=4 447 B11R1.30 CSCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB1267 [0,0,0,0,0,1|3,0,0]=4 448 B11R1.30 CSCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB1267 [0,0,0,0,0,1|3,0,0]=4 449 B11R1.30 CSCC(=O)Nc1ccno1 WXVL_AF0588SB1267 [0,0,0,0,0,1|2,0,0]=3 450 B11R1.30 CSCC(=O)Nc1ccno1 WXVL_AF0588SB1267 [0,0,0,0,0,1|2,0,0]=3 451 B11R1.30 CSCC(=O)Nc1ccns1 WXVL_AF00325SB1267 [0,0,0,0,0,1|2,1,0]=4 452 B11R1.30 CSCC(=O)Nc1ccns1 WXVL_AF00325SB1267 [0,0,0,0,0,1|2,1,0]=4 453 B11R1.30 CSCC(=O)Nc1ccon1 WXVL_AF0028SB1267 [0,0,0,0,0,1|3,0,0]=4 454 B11R1.30 CSCC(=O)Nc1ccon1 WXVL_AF0028SB1267 [0,0,0,0,0,1|3,0,0]=4 455 B11R1.30 CSCC(=O)Nc1ccsc1 WXVL_AF00105SB1267 [0,0,0,0,0,1|3,0,0]=4 456 B11R1.30 CSCC(=O)Nc1ccsc1 WXVL_AF00105SB1267 [0,0,0,0,0,1|3,0,0]=4 457 B11R1.30 CSCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB1267 [0,0,0,0,0,1|3,0,0]=4 458 B11R1.30 CSCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB1267 [0,0,0,0,0,1|3,0,0]=4 459 B11R1.30 CSCC(=O)Nc1cncs1 WXVL_AF0724SB1267 [0,0,0,0,0,1|2,1,0]=4 460 B11R1.30 CSCC(=O)Nc1cncs1 WXVL_AF0724SB1267 [0,0,0,0,0,1|2,1,0]=4 461 B11R1.30 CSCC(=O)Nc1cscn1 WXVL_AF00216SB1267 [0,0,0,0,0,1|3,0,0]=4 462 B11R1.30 CSCC(=O)Nc1cscn1 WXVL_AF00216SB1267 [0,0,0,0,0,1|3,0,0]=4 463 B11R1.30 CSCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB1267 [0,0,0,0,0,1|3,0,0]=4 464 B11R1.30 CSCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB1267 [0,0,0,0,0,1|3,0,0]=4 465 B11R1.30 CSCC(=O)Nc1ncco1 WXVL_AF0235SB1267 [0,0,0,0,0,1|2,0,0]=3 466 B11R1.30 CSCC(=O)Nc1ncco1 WXVL_AF0235SB1267 [0,0,0,0,0,1|2,0,0]=3 467 B11R1.30 CSCC(=O)Nc1nccs1 WXVL_AF0003SB1267 [0,0,0,0,0,1|2,1,0]=4 468 B11R1.30 CSCC(=O)Nc1nccs1 WXVL_AF0003SB1267 [0,0,0,0,0,1|2,1,0]=4 469 B11R1.30 CSCC(=O)Nc1nnco1 WXVL_AF0087SB1267 [0,0,0,0,0,1|3,0,0]=4 470 B11R1.30 CSCC(=O)Nc1nnco1 WXVL_AF0087SB1267 [0,0,0,0,0,1|3,0,0]=4 471 B11R1.30 N#CCC(=O)Nc1ccno1 WXVL_AF0588SB0057 [0,0,0,0,0,1|2,0,1]=4 472 B11R1.30 N#CCC(=O)Nc1ccno1 WXVL_AF0588SB0057 [0,0,0,0,0,1|2,0,1]=4 473 B11R1.30 N#CCC(=O)Nc1ncco1 WXVL_AF0235SB0057 [0,0,0,0,0,1|2,0,1]=4 474 B11R1.30 N#CCC(=O)Nc1ncco1 WXVL_AF0235SB0057 [0,0,0,0,0,1|2,0,1]=4 475 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [1,0,1,0,0,0|1,0,1]=4 476 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [1,0,1,0,0,0|1,0,1]=4 477 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [1,0,1,0,0,0|2,0,0]=4 478 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [1,0,1,0,0,0|2,0,0]=4 479 B8R1.7 NC(=O)c1ccco1 WXVL_AK0084SC0049 [2,0,0,0,0,0|1,0,0]=3 480 B8R1.7 NC(=O)c1ccco1 WXVL_AK0084SC0049 [2,0,0,0,0,0|1,0,0]=3 481 B8R1.7 NC(=O)c1cccs1 WXVL_AK0084SC0051 [2,0,0,0,0,0|1,1,0]=4 482 B8R1.7 NC(=O)c1cccs1 WXVL_AK0084SC0051 [2,0,0,0,0,0|1,1,0]=4 483 B8R1.7 NC(=O)c1ccno1 WXVL_AK0084SC0080 [2,0,0,0,0,0|2,0,0]=4 484 B8R1.7 NC(=O)c1ccno1 WXVL_AK0084SC0080 [2,0,0,0,0,0|2,0,0]=4 485 B8R1.7 NC(=O)c1cnco1 WXVL_AK0084SC0018 [2,0,0,0,0,0|2,0,0]=4 486 B8R1.7 NC(=O)c1cnco1 WXVL_AK0084SC0018 [2,0,0,0,0,0|2,0,0]=4 487 B10R0.6 C/C=C/C=C/C(=O)NC(C)C WXVL_AK0030SB0348 [0,1,1,0,0,0|2,0,0]=4 488 B10R0.6 C/C=C/C=C/C(=O)NC(C)C WXVL_AK0030SB0348 [0,1,1,0,0,0|2,0,0]=4 489 B10R0.91 C/C=C/C=C/C(=O)NCCC WXVL_AK00504SB0348 [0,1,1,0,0,0|1,0,0]=3 490 B10R0.91 C/C=C/C=C/C(=O)NCCC WXVL_AK00504SB0348 [0,1,1,0,0,0|1,0,0]=3 491 B10R0.91 C/C=C/C=C/C(=O)NCCF WXVL_AK00466SB0348 [0,1,1,0,0,0|2,0,0]=4 492 B10R0.91 C/C=C/C=C/C(=O)NCCF WXVL_AK00466SB0348 [0,1,1,0,0,0|2,0,0]=4 493 B10R1.14 CNC(=O)c1cc(c[nH]1)Br WXVL_AK00442SC0644 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.14 CNC(=O)c1cc(c[nH]1)Br WXVL_AK00442SC0644 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.14 CNC(=O)c1cc(c[nH]1)C WXVL_AK00442SC0830 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.14 CNC(=O)c1cc(c[nH]1)C WXVL_AK00442SC0830 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.14 CNC(=O)c1cc(c[nH]1)F WXVL_AK00442SC0334 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.14 CNC(=O)c1cc(c[nH]1)F WXVL_AK00442SC0334 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.14 CNC(=O)c1cc(cs1)Br WXVL_AK00442SC0188 [1,1,0,0,0,0|1,1,0]=4 500 B10R1.14 CNC(=O)c1cc(cs1)Br WXVL_AK00442SC0188 [1,1,0,0,0,0|1,1,0]=4 501 B10R1.14 CNC(=O)c1cc(cs1)C WXVL_AK00442SC0004 [1,1,0,0,0,0|1,1,0]=4 502 B10R1.14 CNC(=O)c1cc(cs1)C WXVL_AK00442SC0004 [1,1,0,0,0,0|1,1,0]=4 503 B10R1.14 CNC(=O)c1cc(no1)C WXVL_AK00442SC0089 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.14 CNC(=O)c1cc(no1)C WXVL_AK00442SC0089 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.14 CNC(=O)c1cc(no1)O WXVL_AK00442SC0522 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.14 CNC(=O)c1cc(no1)O WXVL_AK00442SC0522 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.14 CNC(=O)c1ccc(o1)C WXVL_AK00442SC0005 [1,1,0,0,0,0|1,0,0]=3 508 B10R1.14 CNC(=O)c1ccc(o1)C WXVL_AK00442SC0005 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.14 CNC(=O)c1ccc(o1)Cl WXVL_AK00442SC0926 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.14 CNC(=O)c1ccc(o1)Cl WXVL_AK00442SC0926 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.14 CNC(=O)c1ccc(s1)Br WXVL_AK00442SC0359 [1,1,0,0,0,0|1,1,0]=4 512 B10R1.14 CNC(=O)c1ccc(s1)Br WXVL_AK00442SC0359 [1,1,0,0,0,0|1,1,0]=4 513 B10R1.14 CNC(=O)c1ccc(s1)C WXVL_AK00442SC0053 [1,1,0,0,0,0|1,1,0]=4 514 B10R1.14 CNC(=O)c1ccc(s1)C WXVL_AK00442SC0053 [1,1,0,0,0,0|1,1,0]=4 515 B10R1.14 CNC(=O)c1ccc(s1)Cl WXVL_AK00442SC0067 [1,1,0,0,0,0|1,1,0]=4 516 B10R1.14 CNC(=O)c1ccc(s1)Cl WXVL_AK00442SC0067 [1,1,0,0,0,0|1,1,0]=4 517 B10R1.14 CNC(=O)c1cnc(o1)Br WXVL_AK00442SC0815 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.14 CNC(=O)c1cnc(o1)Br WXVL_AK00442SC0815 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.23 CN(C)C(=O)c1ccco1 WXVL_AN0032SC0049 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.23 CN(C)C(=O)c1ccco1 WXVL_AN0032SC0049 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.23 CN(C)C(=O)c1cccs1 WXVL_AN0032SC0051 [1,1,0,0,0,0|1,1,0]=4 522 B10R1.23 CN(C)C(=O)c1cccs1 WXVL_AN0032SC0051 [1,1,0,0,0,0|1,1,0]=4 523 B10R1.23 CN(C)C(=O)c1ccno1 WXVL_AN0032SC0080 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.23 CN(C)C(=O)c1ccno1 WXVL_AN0032SC0080 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.23 CN(C)C(=O)c1cnco1 WXVL_AN0032SC0018 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.23 CN(C)C(=O)c1cnco1 WXVL_AN0032SC0018 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.23 NC(=O)C(=O)c1ccco1 WXVL_AK0084SA0049 [1,1,0,0,0,0|1,0,1]=4 528 B10R1.23 NC(=O)C(=O)c1ccco1 WXVL_AK0084SA0049 [1,1,0,0,0,0|1,0,1]=4 529 B10R1.149 CNC(=O)c1[nH]ccc1C WXVL_AK00442SC1315 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.149 CNC(=O)c1[nH]ccc1C WXVL_AK00442SC1315 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.149 CNC(=O)c1occc1Br WXVL_AK00442SC0241 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.149 CNC(=O)c1occc1Br WXVL_AK00442SC0241 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.149 CNC(=O)c1occc1C WXVL_AK00442SC0230 [1,1,0,0,0,0|1,0,0]=3 534 B10R1.149 CNC(=O)c1occc1C WXVL_AK00442SC0230 [1,1,0,0,0,0|1,0,0]=3 535 B10R1.149 CNC(=O)c1ocnc1C WXVL_AK00442SC0103 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.149 CNC(=O)c1ocnc1C WXVL_AK00442SC0103 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.149 CNC(=O)c1oncc1C WXVL_AK00442SC0912 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.149 CNC(=O)c1oncc1C WXVL_AK00442SC0912 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.149 CNC(=O)c1sccc1Br WXVL_AK00442SC0364 [1,1,0,0,0,0|1,1,0]=4 540 B10R1.149 CNC(=O)c1sccc1Br WXVL_AK00442SC0364 [1,1,0,0,0,0|1,1,0]=4 541 B10R1.149 CNC(=O)c1sccc1C WXVL_AK00442SC0052 [1,1,0,0,0,0|1,1,0]=4 542 B10R1.149 CNC(=O)c1sccc1C WXVL_AK00442SC0052 [1,1,0,0,0,0|1,1,0]=4 543 B10R1.149 CNC(=O)c1sccc1Cl WXVL_AK00442SC0756 [1,1,0,0,0,0|1,1,0]=4 544 B10R1.149 CNC(=O)c1sccc1Cl WXVL_AK00442SC0756 [1,1,0,0,0,0|1,1,0]=4 545 B10R1.149 CNC(=O)c1sccc1F WXVL_AK00442SC0017 [1,1,0,0,0,0|1,1,0]=4 546 B10R1.149 CNC(=O)c1sccc1F WXVL_AK00442SC0017 [1,1,0,0,0,0|1,1,0]=4 547 B10R1.149 CNC(=O)c1sccc1I WXVL_AK00442SC1579 [1,1,0,0,0,0|1,1,0]=4 548 B10R1.149 CNC(=O)c1sccc1I WXVL_AK00442SC1579 [1,1,0,0,0,0|1,1,0]=4 549 B12R1.16 CCNC(=O)c1cc[n+](cc1)[O-] WXVL_AK00476SC0858 [0,1,0,0,0,1|2,0,0]=4 550 B12R1.16 CCNC(=O)c1cc[n+](cc1)[O-] WXVL_AK00476SC0858 [0,1,0,0,0,1|2,0,0]=4 551 B12R1.16 CCNC(=O)c1ccc(=O)[nH]c1 WXVL_AK00476SC2212 [0,1,0,0,0,1|2,0,0]=4 552 B12R1.16 CCNC(=O)c1ccc(=O)[nH]c1 WXVL_AK00476SC2212 [0,1,0,0,0,1|2,0,0]=4 553 B12R1.16 CCNC(=O)c1ccc(=O)oc1 WXVL_AK00476SC0132 [0,1,0,0,0,1|1,0,0]=3 554 B12R1.16 CCNC(=O)c1ccc(=O)oc1 WXVL_AK00476SC0132 [0,1,0,0,0,1|1,0,0]=3 555 B12R1.16 CCNC(=O)c1ccc(cc1)Br WXVL_AK00476SD0060 [0,1,0,0,0,1|2,0,0]=4 556 B12R1.16 CCNC(=O)c1ccc(cc1)Br WXVL_AK00476SD0060 [0,1,0,0,0,1|2,0,0]=4 557 B12R1.16 CCNC(=O)c1ccc(cc1)C WXVL_AK00476SD0078 [0,1,0,0,0,1|2,0,0]=4 558 B12R1.16 CCNC(=O)c1ccc(cc1)C WXVL_AK00476SD0078 [0,1,0,0,0,1|2,0,0]=4 559 B12R1.16 CCNC(=O)c1ccc(cc1)Cl WXVL_AK00476SD0062 [0,1,0,0,0,1|2,0,0]=4 560 B12R1.16 CCNC(=O)c1ccc(cc1)Cl WXVL_AK00476SD0062 [0,1,0,0,0,1|2,0,0]=4 561 B12R1.16 CCNC(=O)c1ccc(cc1)F WXVL_AK00476SD0061 [0,1,0,0,0,1|2,0,0]=4 562 B12R1.16 CCNC(=O)c1ccc(cc1)F WXVL_AK00476SD0061 [0,1,0,0,0,1|2,0,0]=4 563 B12R1.16 CCNC(=O)c1ccc(cc1)I WXVL_AK00476SD0421 [0,1,0,0,0,1|2,0,0]=4 564 B12R1.16 CCNC(=O)c1ccc(cc1)I WXVL_AK00476SD0421 [0,1,0,0,0,1|2,0,0]=4 565 B12R1.16 CCNC(=O)c1ccc(cc1)O WXVL_AK00476SD0069 [0,1,0,0,0,1|2,0,0]=4 566 B12R1.16 CCNC(=O)c1ccc(cc1)O WXVL_AK00476SD0069 [0,1,0,0,0,1|2,0,0]=4 567 B12R1.16 CCNC(=O)c1ccc(cc1)S WXVL_AK00476SD0154 [0,1,0,0,0,1|2,0,0]=4 568 B12R1.16 CCNC(=O)c1ccc(cc1)S WXVL_AK00476SD0154 [0,1,0,0,0,1|2,0,0]=4 569 B12R1.16 CCNC(=O)c1ccc(cn1)Br WXVL_AK00476SC0363 [0,1,0,0,0,1|2,0,0]=4 570 B12R1.16 CCNC(=O)c1ccc(cn1)Br WXVL_AK00476SC0363 [0,1,0,0,0,1|2,0,0]=4 571 B12R1.16 CCNC(=O)c1ccc(cn1)C WXVL_AK00476SC0104 [0,1,0,0,0,1|2,0,0]=4 572 B12R1.16 CCNC(=O)c1ccc(cn1)C WXVL_AK00476SC0104 [0,1,0,0,0,1|2,0,0]=4 573 B12R1.16 CCNC(=O)c1ccc(cn1)Cl WXVL_AK00476SC0381 [0,1,0,0,0,1|2,0,0]=4 574 B12R1.16 CCNC(=O)c1ccc(cn1)Cl WXVL_AK00476SC0381 [0,1,0,0,0,1|2,0,0]=4 575 B12R1.16 CCNC(=O)c1ccc(cn1)F WXVL_AK00476SC0114 [0,1,0,0,0,1|2,0,0]=4 576 B12R1.16 CCNC(=O)c1ccc(cn1)F WXVL_AK00476SC0114 [0,1,0,0,0,1|2,0,0]=4 577 B12R1.16 CCNC(=O)c1ccc(cn1)O WXVL_AK00476SC0130 [0,1,0,0,0,1|2,0,0]=4 578 B12R1.16 CCNC(=O)c1ccc(cn1)O WXVL_AK00476SC0130 [0,1,0,0,0,1|2,0,0]=4 579 B12R1.16 CCNC(=O)c1ccc(nc1)Br WXVL_AK00476SC0352 [0,1,0,0,0,1|2,0,0]=4 580 B12R1.16 CCNC(=O)c1ccc(nc1)Br WXVL_AK00476SC0352 [0,1,0,0,0,1|2,0,0]=4 581 B12R1.16 CCNC(=O)c1ccc(nc1)C WXVL_AK00476SC0060 [0,1,0,0,0,1|2,0,0]=4 582 B12R1.16 CCNC(=O)c1ccc(nc1)C WXVL_AK00476SC0060 [0,1,0,0,0,1|2,0,0]=4 583 B12R1.16 CCNC(=O)c1ccc(nc1)Cl WXVL_AK00476SC0147 [0,1,0,0,0,1|2,0,0]=4 584 B12R1.16 CCNC(=O)c1ccc(nc1)Cl WXVL_AK00476SC0147 [0,1,0,0,0,1|2,0,0]=4 585 B12R1.16 CCNC(=O)c1ccc(nc1)F WXVL_AK00476SC0370 [0,1,0,0,0,1|2,0,0]=4 586 B12R1.16 CCNC(=O)c1ccc(nc1)F WXVL_AK00476SC0370 [0,1,0,0,0,1|2,0,0]=4 587 B12R1.16 CCNC(=O)c1ccc(nc1)O WXVL_AK00476SC0057 [0,1,0,0,0,1|2,0,0]=4 588 B12R1.16 CCNC(=O)c1ccc(nc1)O WXVL_AK00476SC0057 [0,1,0,0,0,1|2,0,0]=4 589 B12R1.16 CCNC(=O)c1cnc(cn1)C WXVL_AK00476SC0072 [0,1,0,0,0,1|2,0,0]=4 590 B12R1.16 CCNC(=O)c1cnc(cn1)C WXVL_AK00476SC0072 [0,1,0,0,0,1|2,0,0]=4 591 B12R1.16 CCNC(=O)c1cnc(cn1)Cl WXVL_AK00476SC0383 [0,1,0,0,0,1|2,0,0]=4 592 B12R1.16 CCNC(=O)c1cnc(cn1)Cl WXVL_AK00476SC0383 [0,1,0,0,0,1|2,0,0]=4 593 B12R1.16 CCNC(=O)c1ncc(cn1)Cl WXVL_AK00476SC0029 [0,1,0,0,0,1|2,0,0]=4 594 B12R1.16 CCNC(=O)c1ncc(cn1)Cl WXVL_AK00476SC0029 [0,1,0,0,0,1|2,0,0]=4 595 B12R1.17 CCNC(=O)C1=CC=NC(=O)C1 WXVL_AK00476SC0016 [0,1,0,0,0,1|2,0,0]=4 596 B12R1.17 CCNC(=O)C1=CC=NC(=O)C1 WXVL_AK00476SC0016 [0,1,0,0,0,1|2,0,0]=4 597 B12R1.17 CCNC(=O)c1cc(=O)cco1 WXVL_AK00476SC0133 [0,1,0,0,0,1|1,0,0]=3 598 B12R1.17 CCNC(=O)c1cc(=O)cco1 WXVL_AK00476SC0133 [0,1,0,0,0,1|1,0,0]=3 599 B12R1.17 CCNC(=O)c1cc(ccn1)Br WXVL_AK00476SC0243 [0,1,0,0,0,1|2,0,0]=4 600 B12R1.17 CCNC(=O)c1cc(ccn1)Br WXVL_AK00476SC0243 [0,1,0,0,0,1|2,0,0]=4 601 B12R1.17 CCNC(=O)c1cc(ccn1)C WXVL_AK00476SC0235 [0,1,0,0,0,1|2,0,0]=4 602 B12R1.17 CCNC(=O)c1cc(ccn1)C WXVL_AK00476SC0235 [0,1,0,0,0,1|2,0,0]=4 603 B12R1.17 CCNC(=O)c1cc(ccn1)Cl WXVL_AK00476SC0373 [0,1,0,0,0,1|2,0,0]=4 604 B12R1.17 CCNC(=O)c1cc(ccn1)Cl WXVL_AK00476SC0373 [0,1,0,0,0,1|2,0,0]=4 605 B12R1.17 CCNC(=O)c1cc(ncn1)Cl WXVL_AK00476SC0775 [0,1,0,0,0,1|2,0,0]=4 606 B12R1.17 CCNC(=O)c1cc(ncn1)Cl WXVL_AK00476SC0775 [0,1,0,0,0,1|2,0,0]=4 607 B12R1.17 CCNC(=O)c1cc(ncn1)O WXVL_AK00476SC0001 [0,1,0,0,0,1|2,0,0]=4 608 B12R1.17 CCNC(=O)c1cc(ncn1)O WXVL_AK00476SC0001 [0,1,0,0,0,1|2,0,0]=4 609 B12R1.17 CCNC(=O)c1ccc[n+](c1)[O-] WXVL_AK00476SC1039 [0,1,0,0,0,1|2,0,0]=4 610 B12R1.17 CCNC(=O)c1ccc[n+](c1)[O-] WXVL_AK00476SC1039 [0,1,0,0,0,1|2,0,0]=4 611 B12R1.17 CCNC(=O)c1cccc(c1)Br WXVL_AK00476SD0041 [0,1,0,0,0,1|2,0,0]=4 612 B12R1.17 CCNC(=O)c1cccc(c1)Br WXVL_AK00476SD0041 [0,1,0,0,0,1|2,0,0]=4 613 B12R1.17 CCNC(=O)c1cccc(c1)C WXVL_AK00476SD0056 [0,1,0,0,0,1|2,0,0]=4 614 B12R1.17 CCNC(=O)c1cccc(c1)C WXVL_AK00476SD0056 [0,1,0,0,0,1|2,0,0]=4 615 B12R1.17 CCNC(=O)c1cccc(c1)Cl WXVL_AK00476SD0045 [0,1,0,0,0,1|2,0,0]=4 616 B12R1.17 CCNC(=O)c1cccc(c1)Cl WXVL_AK00476SD0045 [0,1,0,0,0,1|2,0,0]=4 617 B12R1.17 CCNC(=O)c1cccc(c1)F WXVL_AK00476SD0043 [0,1,0,0,0,1|2,0,0]=4 618 B12R1.17 CCNC(=O)c1cccc(c1)F WXVL_AK00476SD0043 [0,1,0,0,0,1|2,0,0]=4 619 B12R1.17 CCNC(=O)c1cccc(c1)I WXVL_AK00476SD0405 [0,1,0,0,0,1|2,0,0]=4 620 B12R1.17 CCNC(=O)c1cccc(c1)I WXVL_AK00476SD0405 [0,1,0,0,0,1|2,0,0]=4 621 B12R1.17 CCNC(=O)c1cccc(c1)O WXVL_AK00476SD1724 [0,1,0,0,0,1|2,0,0]=4 622 B12R1.17 CCNC(=O)c1cccc(c1)O WXVL_AK00476SD1724 [0,1,0,0,0,1|2,0,0]=4 623 B12R1.17 CCNC(=O)c1cccc(n1)Br WXVL_AK00476SC0366 [0,1,0,0,0,1|2,0,0]=4 624 B12R1.17 CCNC(=O)c1cccc(n1)Br WXVL_AK00476SC0366 [0,1,0,0,0,1|2,0,0]=4 625 B12R1.17 CCNC(=O)c1cccc(n1)F WXVL_AK00476SC0386 [0,1,0,0,0,1|2,0,0]=4 626 B12R1.17 CCNC(=O)c1cccc(n1)F WXVL_AK00476SC0386 [0,1,0,0,0,1|2,0,0]=4 627 B12R1.17 CCNC(=O)c1cccc(n1)O WXVL_AK00476SC0084 [0,1,0,0,0,1|2,0,0]=4 628 B12R1.17 CCNC(=O)c1cccc(n1)O WXVL_AK00476SC0084 [0,1,0,0,0,1|2,0,0]=4 629 B12R1.17 CCNC(=O)c1ccnc(c1)Br WXVL_AK00476SC0349 [0,1,0,0,0,1|2,0,0]=4 630 B12R1.17 CCNC(=O)c1ccnc(c1)Br WXVL_AK00476SC0349 [0,1,0,0,0,1|2,0,0]=4 631 B12R1.17 CCNC(=O)c1ccnc(c1)C WXVL_AK00476SC0400 [0,1,0,0,0,1|2,0,0]=4 632 B12R1.17 CCNC(=O)c1ccnc(c1)C WXVL_AK00476SC0400 [0,1,0,0,0,1|2,0,0]=4 633 B12R1.17 CCNC(=O)c1ccnc(c1)Cl WXVL_AK00476SC0083 [0,1,0,0,0,1|2,0,0]=4 634 B12R1.17 CCNC(=O)c1ccnc(c1)Cl WXVL_AK00476SC0083 [0,1,0,0,0,1|2,0,0]=4 635 B12R1.17 CCNC(=O)c1ccnc(c1)F WXVL_AK00476SC0015 [0,1,0,0,0,1|2,0,0]=4 636 B12R1.17 CCNC(=O)c1ccnc(c1)F WXVL_AK00476SC0015 [0,1,0,0,0,1|2,0,0]=4 637 B12R1.17 CCNC(=O)c1ccnc(c1)O WXVL_AK00476SC0131 [0,1,0,0,0,1|2,0,0]=4 638 B12R1.17 CCNC(=O)c1ccnc(c1)O WXVL_AK00476SC0131 [0,1,0,0,0,1|2,0,0]=4 639 B12R1.17 CCNC(=O)c1ccnc(n1)C WXVL_AK00476SC0296 [0,1,0,0,0,1|2,0,0]=4 640 B12R1.17 CCNC(=O)c1ccnc(n1)C WXVL_AK00476SC0296 [0,1,0,0,0,1|2,0,0]=4 641 B12R1.17 CCNC(=O)c1ccnc(n1)Cl WXVL_AK00476SC0392 [0,1,0,0,0,1|2,0,0]=4 642 B12R1.17 CCNC(=O)c1ccnc(n1)Cl WXVL_AK00476SC0392 [0,1,0,0,0,1|2,0,0]=4 643 B12R1.17 CCNC(=O)c1cncc(c1)Br WXVL_AK00476SC0369 [0,1,0,0,0,1|2,0,0]=4 644 B12R1.17 CCNC(=O)c1cncc(c1)Br WXVL_AK00476SC0369 [0,1,0,0,0,1|2,0,0]=4 645 B12R1.17 CCNC(=O)c1cncc(c1)C WXVL_AK00476SC0095 [0,1,0,0,0,1|2,0,0]=4 646 B12R1.17 CCNC(=O)c1cncc(c1)C WXVL_AK00476SC0095 [0,1,0,0,0,1|2,0,0]=4 647 B12R1.17 CCNC(=O)c1cncc(c1)Cl WXVL_AK00476SC0291 [0,1,0,0,0,1|2,0,0]=4 648 B12R1.17 CCNC(=O)c1cncc(c1)Cl WXVL_AK00476SC0291 [0,1,0,0,0,1|2,0,0]=4 649 B12R1.17 CCNC(=O)c1cncc(c1)F WXVL_AK00476SC0102 [0,1,0,0,0,1|2,0,0]=4 650 B12R1.17 CCNC(=O)c1cncc(c1)F WXVL_AK00476SC0102 [0,1,0,0,0,1|2,0,0]=4 651 B12R1.17 CCNC(=O)c1cncc(c1)O WXVL_AK00476SC0333 [0,1,0,0,0,1|2,0,0]=4 652 B12R1.17 CCNC(=O)c1cncc(c1)O WXVL_AK00476SC0333 [0,1,0,0,0,1|2,0,0]=4 653 B12R1.17 CCNC(=O)c1cncc(n1)C WXVL_AK00476SC0391 [0,1,0,0,0,1|2,0,0]=4 654 B12R1.17 CCNC(=O)c1cncc(n1)C WXVL_AK00476SC0391 [0,1,0,0,0,1|2,0,0]=4 655 B12R1.30 CCCNC(=O)C1=CCCCO1 WXVL_AK00504SB4858 [0,1,0,0,0,1|0,0,2]=4 656 B12R1.30 CCCNC(=O)C1=CCCCO1 WXVL_AK00504SB4858 [0,1,0,0,0,1|0,0,2]=4 657 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [0,1,0,0,0,1|1,0,0]=3 658 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [0,1,0,0,0,1|1,0,0]=3 659 B12R1.30 CCCNC(=O)c1ccccn1 WXVL_AK00504SC0058 [0,1,0,0,0,1|1,0,0]=3 660 B12R1.30 CCCNC(=O)c1ccccn1 WXVL_AK00504SC0058 [0,1,0,0,0,1|1,0,0]=3 661 B12R1.30 CCCNC(=O)c1cccnc1 WXVL_AK00504SC0061 [0,1,0,0,0,1|1,0,0]=3 662 B12R1.30 CCCNC(=O)c1cccnc1 WXVL_AK00504SC0061 [0,1,0,0,0,1|1,0,0]=3 663 B12R1.30 CCCNC(=O)c1cccnn1 WXVL_AK00504SC0374 [0,1,0,0,0,1|1,0,0]=3 664 B12R1.30 CCCNC(=O)c1cccnn1 WXVL_AK00504SC0374 [0,1,0,0,0,1|1,0,0]=3 665 B12R1.30 CCCNC(=O)c1ccncc1 WXVL_AK00504SC0062 [0,1,0,0,0,1|1,0,0]=3 666 B12R1.30 CCCNC(=O)c1ccncc1 WXVL_AK00504SC0062 [0,1,0,0,0,1|1,0,0]=3 667 B12R1.30 CCCNC(=O)c1ccncn1 WXVL_AK00504SC0231 [0,1,0,0,0,1|1,0,0]=3 668 B12R1.30 CCCNC(=O)c1ccncn1 WXVL_AK00504SC0231 [0,1,0,0,0,1|1,0,0]=3 669 B12R1.30 CCCNC(=O)c1ccnnc1 WXVL_AK00504SC0064 [0,1,0,0,0,1|2,0,0]=4 670 B12R1.30 CCCNC(=O)c1ccnnc1 WXVL_AK00504SC0064 [0,1,0,0,0,1|2,0,0]=4 671 B12R1.30 CCCNC(=O)c1cncnc1 WXVL_AK00504SC0097 [0,1,0,0,0,1|2,0,0]=4 672 B12R1.30 CCCNC(=O)c1cncnc1 WXVL_AK00504SC0097 [0,1,0,0,0,1|2,0,0]=4 673 B12R1.30 CCCNC(=O)c1ncccn1 WXVL_AK00504SC0096 [0,1,0,0,0,1|1,0,0]=3 674 B12R1.30 CCCNC(=O)c1ncccn1 WXVL_AK00504SC0096 [0,1,0,0,0,1|1,0,0]=3 675 B12R1.30 O=C(NCCF)c1ccccc1 WXVL_AK00466SD0001 [0,1,0,0,0,1|2,0,0]=4 676 B12R1.30 O=C(NCCF)c1ccccc1 WXVL_AK00466SD0001 [0,1,0,0,0,1|2,0,0]=4 677 B12R1.30 O=C(NCCF)c1ccccn1 WXVL_AK00466SC0058 [0,1,0,0,0,1|2,0,0]=4 678 B12R1.30 O=C(NCCF)c1ccccn1 WXVL_AK00466SC0058 [0,1,0,0,0,1|2,0,0]=4 679 B12R1.30 O=C(NCCF)c1cccnc1 WXVL_AK00466SC0061 [0,1,0,0,0,1|2,0,0]=4 680 B12R1.30 O=C(NCCF)c1cccnc1 WXVL_AK00466SC0061 [0,1,0,0,0,1|2,0,0]=4 681 B12R1.30 O=C(NCCF)c1cccnn1 WXVL_AK00466SC0374 [0,1,0,0,0,1|2,0,0]=4 682 B12R1.30 O=C(NCCF)c1cccnn1 WXVL_AK00466SC0374 [0,1,0,0,0,1|2,0,0]=4 683 B12R1.30 O=C(NCCF)c1ccncc1 WXVL_AK00466SC0062 [0,1,0,0,0,1|2,0,0]=4 684 B12R1.30 O=C(NCCF)c1ccncc1 WXVL_AK00466SC0062 [0,1,0,0,0,1|2,0,0]=4 685 B12R1.30 O=C(NCCF)c1ccncn1 WXVL_AK00466SC0231 [0,1,0,0,0,1|2,0,0]=4 686 B12R1.30 O=C(NCCF)c1ccncn1 WXVL_AK00466SC0231 [0,1,0,0,0,1|2,0,0]=4 687 B12R1.30 O=C(NCCF)c1ncccn1 WXVL_AK00466SC0096 [0,1,0,0,0,1|2,0,0]=4 688 B12R1.30 O=C(NCCF)c1ncccn1 WXVL_AK00466SC0096 [0,1,0,0,0,1|2,0,0]=4 689 B12R1.107 CC(C)NC(=O)c1ccccc1 WXVL_AK0030SD0001 [0,1,0,0,0,1|2,0,0]=4 690 B12R1.107 CC(C)NC(=O)c1ccccc1 WXVL_AK0030SD0001 [0,1,0,0,0,1|2,0,0]=4 691 B12R1.107 CC(C)NC(=O)c1ccccn1 WXVL_AK0030SC0058 [0,1,0,0,0,1|2,0,0]=4 692 B12R1.107 CC(C)NC(=O)c1ccccn1 WXVL_AK0030SC0058 [0,1,0,0,0,1|2,0,0]=4 693 B12R1.107 CC(C)NC(=O)c1cccnc1 WXVL_AK0030SC0061 [0,1,0,0,0,1|2,0,0]=4 694 B12R1.107 CC(C)NC(=O)c1cccnc1 WXVL_AK0030SC0061 [0,1,0,0,0,1|2,0,0]=4 695 B12R1.107 CC(C)NC(=O)c1cccnn1 WXVL_AK0030SC0374 [0,1,0,0,0,1|2,0,0]=4 696 B12R1.107 CC(C)NC(=O)c1cccnn1 WXVL_AK0030SC0374 [0,1,0,0,0,1|2,0,0]=4 697 B12R1.107 CC(C)NC(=O)c1ccncc1 WXVL_AK0030SC0062 [0,1,0,0,0,1|2,0,0]=4 698 B12R1.107 CC(C)NC(=O)c1ccncc1 WXVL_AK0030SC0062 [0,1,0,0,0,1|2,0,0]=4 699 B12R1.107 CC(C)NC(=O)c1ccncn1 WXVL_AK0030SC0231 [0,1,0,0,0,1|2,0,0]=4 700 B12R1.107 CC(C)NC(=O)c1ccncn1 WXVL_AK0030SC0231 [0,1,0,0,0,1|2,0,0]=4 701 B12R1.107 CC(C)NC(=O)c1ncccn1 WXVL_AK0030SC0096 [0,1,0,0,0,1|2,0,0]=4 702 B12R1.107 CC(C)NC(=O)c1ncccn1 WXVL_AK0030SC0096 [0,1,0,0,0,1|2,0,0]=4 703 B12R1.308 CCNC(=O)c1ccccc1Br WXVL_AK00476SD0002 [0,1,0,0,0,1|2,0,0]=4 704 B12R1.308 CCNC(=O)c1ccccc1Br WXVL_AK00476SD0002 [0,1,0,0,0,1|2,0,0]=4 705 B12R1.308 CCNC(=O)c1ccccc1C WXVL_AK00476SD0037 [0,1,0,0,0,1|2,0,0]=4 706 B12R1.308 CCNC(=O)c1ccccc1C WXVL_AK00476SD0037 [0,1,0,0,0,1|2,0,0]=4 707 B12R1.308 CCNC(=O)c1ccccc1Cl WXVL_AK00476SD0006 [0,1,0,0,0,1|2,0,0]=4 708 B12R1.308 CCNC(=O)c1ccccc1Cl WXVL_AK00476SD0006 [0,1,0,0,0,1|2,0,0]=4 709 B12R1.308 CCNC(=O)c1ccccc1F WXVL_AK00476SD0003 [0,1,0,0,0,1|2,0,0]=4 710 B12R1.308 CCNC(=O)c1ccccc1F WXVL_AK00476SD0003 [0,1,0,0,0,1|2,0,0]=4 711 B12R1.308 CCNC(=O)c1ccccc1I WXVL_AK00476SD0303 [0,1,0,0,0,1|2,0,0]=4 712 B12R1.308 CCNC(=O)c1ccccc1I WXVL_AK00476SD0303 [0,1,0,0,0,1|2,0,0]=4 713 B12R1.308 CCNC(=O)c1ccccc1O WXVL_AK00476SD00056 [0,1,0,0,0,1|2,0,0]=4 714 B12R1.308 CCNC(=O)c1ccccc1O WXVL_AK00476SD00056 [0,1,0,0,0,1|2,0,0]=4 715 B12R1.308 CCNC(=O)c1ccccc1S WXVL_AK00476SD0153 [0,1,0,0,0,1|2,0,0]=4 716 B12R1.308 CCNC(=O)c1ccccc1S WXVL_AK00476SD0153 [0,1,0,0,0,1|2,0,0]=4 717 B12R1.308 CCNC(=O)c1cccnc1Br WXVL_AK00476SC0367 [0,1,0,0,0,1|2,0,0]=4 718 B12R1.308 CCNC(=O)c1cccnc1Br WXVL_AK00476SC0367 [0,1,0,0,0,1|2,0,0]=4 719 B12R1.308 CCNC(=O)c1cccnc1C WXVL_AK00476SC0065 [0,1,0,0,0,1|2,0,0]=4 720 B12R1.308 CCNC(=O)c1cccnc1C WXVL_AK00476SC0065 [0,1,0,0,0,1|2,0,0]=4 721 B12R1.308 CCNC(=O)c1cccnc1Cl WXVL_AK00476SC0146 [0,1,0,0,0,1|2,0,0]=4 722 B12R1.308 CCNC(=O)c1cccnc1Cl WXVL_AK00476SC0146 [0,1,0,0,0,1|2,0,0]=4 723 B12R1.308 CCNC(=O)c1cccnc1F WXVL_AK00476SC0350 [0,1,0,0,0,1|2,0,0]=4 724 B12R1.308 CCNC(=O)c1cccnc1F WXVL_AK00476SC0350 [0,1,0,0,0,1|2,0,0]=4 725 B12R1.308 CCNC(=O)c1cccnc1O WXVL_AK00476SC0063 [0,1,0,0,0,1|2,0,0]=4 726 B12R1.308 CCNC(=O)c1cccnc1O WXVL_AK00476SC0063 [0,1,0,0,0,1|2,0,0]=4 727 B12R1.308 CCNC(=O)c1ccncc1Br WXVL_AK00476SC0365 [0,1,0,0,0,1|2,0,0]=4 728 B12R1.308 CCNC(=O)c1ccncc1Br WXVL_AK00476SC0365 [0,1,0,0,0,1|2,0,0]=4 729 B12R1.308 CCNC(=O)c1ccncc1Cl WXVL_AK00476SC0375 [0,1,0,0,0,1|2,0,0]=4 730 B12R1.308 CCNC(=O)c1ccncc1Cl WXVL_AK00476SC0375 [0,1,0,0,0,1|2,0,0]=4 731 B12R1.308 CCNC(=O)c1ccncc1F WXVL_AK00476SC0320 [0,1,0,0,0,1|2,0,0]=4 732 B12R1.308 CCNC(=O)c1ccncc1F WXVL_AK00476SC0320 [0,1,0,0,0,1|2,0,0]=4 733 B12R1.308 CCNC(=O)c1ccncc1O WXVL_AK00476SC0354 [0,1,0,0,0,1|2,0,0]=4 734 B12R1.308 CCNC(=O)c1ccncc1O WXVL_AK00476SC0354 [0,1,0,0,0,1|2,0,0]=4 735 B12R1.308 CCNC(=O)c1cnccc1Br WXVL_AK00476SC0500 [0,1,0,0,0,1|2,0,0]=4 736 B12R1.308 CCNC(=O)c1cnccc1Br WXVL_AK00476SC0500 [0,1,0,0,0,1|2,0,0]=4 737 B12R1.308 CCNC(=O)c1cnccc1C WXVL_AK00476SC0301 [0,1,0,0,0,1|2,0,0]=4 738 B12R1.308 CCNC(=O)c1cnccc1C WXVL_AK00476SC0301 [0,1,0,0,0,1|2,0,0]=4 739 B12R1.308 CCNC(=O)c1cnccc1Cl WXVL_AK00476SC0340 [0,1,0,0,0,1|2,0,0]=4 740 B12R1.308 CCNC(=O)c1cnccc1Cl WXVL_AK00476SC0340 [0,1,0,0,0,1|2,0,0]=4 741 B12R1.308 CCNC(=O)c1ncccc1Br WXVL_AK00476SC0501 [0,1,0,0,0,1|2,0,0]=4 742 B12R1.308 CCNC(=O)c1ncccc1Br WXVL_AK00476SC0501 [0,1,0,0,0,1|2,0,0]=4 743 B12R1.308 CCNC(=O)c1ncccc1C WXVL_AK00476SC0008 [0,1,0,0,0,1|2,0,0]=4 744 B12R1.308 CCNC(=O)c1ncccc1C WXVL_AK00476SC0008 [0,1,0,0,0,1|2,0,0]=4 745 B12R1.308 CCNC(=O)c1ncccc1Cl WXVL_AK00476SC0609 [0,1,0,0,0,1|2,0,0]=4 746 B12R1.308 CCNC(=O)c1ncccc1Cl WXVL_AK00476SC0609 [0,1,0,0,0,1|2,0,0]=4 747 B12R1.308 CCNC(=O)c1ncccc1F WXVL_AK00476SC0773 [0,1,0,0,0,1|2,0,0]=4 748 B12R1.308 CCNC(=O)c1ncccc1F WXVL_AK00476SC0773 [0,1,0,0,0,1|2,0,0]=4 749 B12R1.308 CCNC(=O)c1nccnc1Br WXVL_AK00476SC0785 [0,1,0,0,0,1|2,0,0]=4 750 B12R1.308 CCNC(=O)c1nccnc1Br WXVL_AK00476SC0785 [0,1,0,0,0,1|2,0,0]=4 751 B12R1.308 CCNC(=O)c1nccnc1Cl WXVL_AK00476SC0361 [0,1,0,0,0,1|2,0,0]=4 752 B12R1.308 CCNC(=O)c1nccnc1Cl WXVL_AK00476SC0361 [0,1,0,0,0,1|2,0,0]=4 753 B12R1.31 CCCC(=O)Nc1cc([nH]n1)C WXVL_AF2553SB0073 [0,1,0,0,0,1|2,0,0]=4 754 B12R1.31 CCCC(=O)Nc1cc([nH]n1)C WXVL_AF2553SB0073 [0,1,0,0,0,1|2,0,0]=4 755 B12R1.31 CCCC(=O)Nc1cc(n[nH]1)Br WXVL_AF4634SB0073 [0,1,0,0,0,1|2,0,0]=4 756 B12R1.31 CCCC(=O)Nc1cc(n[nH]1)Br WXVL_AF4634SB0073 [0,1,0,0,0,1|2,0,0]=4 757 B12R1.31 CCCC(=O)Nc1cc(n[nH]1)C WXVL_AF0238SB0073 [0,1,0,0,0,1|2,0,0]=4 758 B12R1.31 CCCC(=O)Nc1cc(n[nH]1)C WXVL_AF0238SB0073 [0,1,0,0,0,1|2,0,0]=4 759 B12R1.31 CCCC(=O)Nc1cc(n[nH]1)O WXVL_AF0232SB0073 [0,1,0,0,0,1|2,0,0]=4 760 B12R1.31 CCCC(=O)Nc1cc(n[nH]1)O WXVL_AF0232SB0073 [0,1,0,0,0,1|2,0,0]=4 761 B12R1.31 CCCC(=O)Nc1cc(no1)C WXVL_AF0001SB0073 [0,1,0,0,0,1|1,0,0]=3 762 B12R1.31 CCCC(=O)Nc1cc(no1)C WXVL_AF0001SB0073 [0,1,0,0,0,1|1,0,0]=3 763 B12R1.31 CCCC(=O)Nc1cc(ns1)C WXVL_AF00073SB0073 [0,1,0,0,0,1|1,1,0]=4 764 B12R1.31 CCCC(=O)Nc1cc(ns1)C WXVL_AF00073SB0073 [0,1,0,0,0,1|1,1,0]=4 765 B12R1.31 CCCC(=O)Nc1cc(on1)C WXVL_AF0002SB0073 [0,1,0,0,0,1|2,0,0]=4 766 B12R1.31 CCCC(=O)Nc1cc(on1)C WXVL_AF0002SB0073 [0,1,0,0,0,1|2,0,0]=4 767 B12R1.31 CCCC(=O)Nc1ccn(n1)C WXVL_AF0044SB0073 [0,1,0,0,0,1|2,0,0]=4 768 B12R1.31 CCCC(=O)Nc1ccn(n1)C WXVL_AF0044SB0073 [0,1,0,0,0,1|2,0,0]=4 769 B12R1.31 CCCC(=O)Nc1cn(cn1)C WXVL_AF0086SB0073 [0,1,0,0,0,1|2,0,0]=4 770 B12R1.31 CCCC(=O)Nc1cn(cn1)C WXVL_AF0086SB0073 [0,1,0,0,0,1|2,0,0]=4 771 B12R1.31 CCCC(=O)Nc1cnc(s1)C WXVL_AF1241SB0073 [0,1,0,0,0,1|1,1,0]=4 772 B12R1.31 CCCC(=O)Nc1cnc(s1)C WXVL_AF1241SB0073 [0,1,0,0,0,1|1,1,0]=4 773 B12R1.31 CCCC(=O)Nc1csc(c1)Br WXVL_AF00144SB0073 [0,1,0,0,0,1|2,0,0]=4 774 B12R1.31 CCCC(=O)Nc1csc(c1)Br WXVL_AF00144SB0073 [0,1,0,0,0,1|2,0,0]=4 775 B12R1.31 CCCC(=O)Nc1csc(n1)C WXVL_AF00271SB0073 [0,1,0,0,0,1|2,0,0]=4 776 B12R1.31 CCCC(=O)Nc1csc(n1)C WXVL_AF00271SB0073 [0,1,0,0,0,1|2,0,0]=4 777 B12R1.31 CCCC(=O)Nc1nc(co1)C WXVL_AF0249SB0073 [0,1,0,0,0,1|1,0,0]=3 778 B12R1.31 CCCC(=O)Nc1nc(co1)C WXVL_AF0249SB0073 [0,1,0,0,0,1|1,0,0]=3 779 B12R1.31 CCCC(=O)Nc1nc(cs1)Br WXVL_AF3498SB0073 [0,1,0,0,0,1|1,1,0]=4 780 B12R1.31 CCCC(=O)Nc1nc(cs1)Br WXVL_AF3498SB0073 [0,1,0,0,0,1|1,1,0]=4 781 B12R1.31 CCCC(=O)Nc1nc(cs1)C WXVL_AF0004SB0073 [0,1,0,0,0,1|1,1,0]=4 782 B12R1.31 CCCC(=O)Nc1nc(cs1)C WXVL_AF0004SB0073 [0,1,0,0,0,1|1,1,0]=4 783 B12R1.31 CCCC(=O)Nc1nc(cs1)O WXVL_AF3701SB0073 [0,1,0,0,0,1|1,1,0]=4 784 B12R1.31 CCCC(=O)Nc1nc(cs1)O WXVL_AF3701SB0073 [0,1,0,0,0,1|1,1,0]=4 785 B12R1.31 CCCC(=O)Nc1ncc(s1)Br WXVL_AF2420SB0073 [0,1,0,0,0,1|1,1,0]=4 786 B12R1.31 CCCC(=O)Nc1ncc(s1)Br WXVL_AF2420SB0073 [0,1,0,0,0,1|1,1,0]=4 787 B12R1.31 CCCC(=O)Nc1ncc(s1)C WXVL_AF2555SB0073 [0,1,0,0,0,1|1,1,0]=4 788 B12R1.31 CCCC(=O)Nc1ncc(s1)C WXVL_AF2555SB0073 [0,1,0,0,0,1|1,1,0]=4 789 B12R1.31 CCCC(=O)Nc1ncc(s1)F WXVL_AF00078SB0073 [0,1,0,0,0,1|1,1,0]=4 790 B12R1.31 CCCC(=O)Nc1ncc(s1)F WXVL_AF00078SB0073 [0,1,0,0,0,1|1,1,0]=4 791 B12R1.31 CCCC(=O)Nc1nnc(o1)C WXVL_AF0088SB0073 [0,1,0,0,0,1|2,0,0]=4 792 B12R1.31 CCCC(=O)Nc1nnc(o1)C WXVL_AF0088SB0073 [0,1,0,0,0,1|2,0,0]=4 793 B12R1.31 CCNC(=O)Cc1cc(cs1)Br WXVL_AK00476SA0181 [0,1,0,0,0,1|1,1,0]=4 794 B12R1.31 CCNC(=O)Cc1cc(cs1)Br WXVL_AK00476SA0181 [0,1,0,0,0,1|1,1,0]=4 795 B12R1.31 CCNC(=O)Cc1cc(no1)C WXVL_AK00476SA0039 [0,1,0,0,0,1|2,0,0]=4 796 B12R1.31 CCNC(=O)Cc1cc(no1)C WXVL_AK00476SA0039 [0,1,0,0,0,1|2,0,0]=4 797 B12R1.31 CCNC(=O)Cc1ccc(s1)Cl WXVL_AK00476SA0043 [0,1,0,0,0,1|1,1,0]=4 798 B12R1.31 CCNC(=O)Cc1ccc(s1)Cl WXVL_AK00476SA0043 [0,1,0,0,0,1|1,1,0]=4 799 B12R1.31 COCC(=O)Nc1cc(no1)C WXVL_AF0001SB0090 [0,1,0,0,0,1|2,0,0]=4 800 B12R1.31 COCC(=O)Nc1cc(no1)C WXVL_AF0001SB0090 [0,1,0,0,0,1|2,0,0]=4 801 B12R1.31 COCC(=O)Nc1nc(co1)C WXVL_AF0249SB0090 [0,1,0,0,0,1|2,0,0]=4 802 B12R1.31 COCC(=O)Nc1nc(co1)C WXVL_AF0249SB0090 [0,1,0,0,0,1|2,0,0]=4 803 B12R1.31 CSCC(=O)Nc1cc(no1)C WXVL_AF0001SB1267 [0,1,0,0,0,1|2,0,0]=4 804 B12R1.31 CSCC(=O)Nc1cc(no1)C WXVL_AF0001SB1267 [0,1,0,0,0,1|2,0,0]=4 805 B12R1.31 CSCC(=O)Nc1nc(co1)C WXVL_AF0249SB1267 [0,1,0,0,0,1|2,0,0]=4 806 B12R1.31 CSCC(=O)Nc1nc(co1)C WXVL_AF0249SB1267 [0,1,0,0,0,1|2,0,0]=4 807 B12R1.53 C#CCCC(=O)Nc1ccno1 WXVL_AF0588SB2189 [0,1,0,0,0,1|1,0,1]=4 808 B12R1.53 C#CCCC(=O)Nc1ccno1 WXVL_AF0588SB2189 [0,1,0,0,0,1|1,0,1]=4 809 B12R1.53 C#CCCC(=O)Nc1ncco1 WXVL_AF0235SB2189 [0,1,0,0,0,1|1,0,1]=4 810 B12R1.53 C#CCCC(=O)Nc1ncco1 WXVL_AF0235SB2189 [0,1,0,0,0,1|1,0,1]=4 811 B12R1.53 C=CCCC(=O)Nc1ccno1 WXVL_AF0588SB1035 [0,1,0,0,0,1|1,0,1]=4 812 B12R1.53 C=CCCC(=O)Nc1ccno1 WXVL_AF0588SB1035 [0,1,0,0,0,1|1,0,1]=4 813 B12R1.53 C=CCCC(=O)Nc1ncco1 WXVL_AF0235SB1035 [0,1,0,0,0,1|1,0,1]=4 814 B12R1.53 C=CCCC(=O)Nc1ncco1 WXVL_AF0235SB1035 [0,1,0,0,0,1|1,0,1]=4 815 B12R1.53 CCCNC(=O)Cc1cccs1 WXVL_AK00504SA0018 [0,1,0,0,0,1|0,1,0]=3 816 B12R1.53 CCCNC(=O)Cc1cccs1 WXVL_AK00504SA0018 [0,1,0,0,0,1|0,1,0]=3 817 B12R1.53 CCCNC(=O)Cc1ccn[nH]1 WXVL_AK00504SA00008 [0,1,0,0,0,1|2,0,0]=4 818 B12R1.53 CCCNC(=O)Cc1ccn[nH]1 WXVL_AK00504SA00008 [0,1,0,0,0,1|2,0,0]=4 819 B12R1.53 CCCNC(=O)Cc1ccsc1 WXVL_AK00504SA0020 [0,1,0,0,0,1|2,0,0]=4 820 B12R1.53 CCCNC(=O)Cc1ccsc1 WXVL_AK00504SA0020 [0,1,0,0,0,1|2,0,0]=4 821 B12R1.53 CCCNC(=O)Cc1cscn1 WXVL_AK00504SA0012 [0,1,0,0,0,1|2,0,0]=4 822 B12R1.53 CCCNC(=O)Cc1cscn1 WXVL_AK00504SA0012 [0,1,0,0,0,1|2,0,0]=4 823 B12R1.53 CCCNC(=O)Cn1cccn1 WXVL_AK00504SA0030 [0,1,0,0,0,1|2,0,0]=4 824 B12R1.53 CCCNC(=O)Cn1cccn1 WXVL_AK00504SA0030 [0,1,0,0,0,1|2,0,0]=4 825 B12R1.53 CCOCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0091 [0,1,0,0,0,1|2,0,0]=4 826 B12R1.53 CCOCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0091 [0,1,0,0,0,1|2,0,0]=4 827 B12R1.53 CCOCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0091 [0,1,0,0,0,1|2,0,0]=4 828 B12R1.53 CCOCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0091 [0,1,0,0,0,1|2,0,0]=4 829 B12R1.53 CCOCC(=O)Nc1ccno1 WXVL_AF0588SB0091 [0,1,0,0,0,1|1,0,0]=3 830 B12R1.53 CCOCC(=O)Nc1ccno1 WXVL_AF0588SB0091 [0,1,0,0,0,1|1,0,0]=3 831 B12R1.53 CCOCC(=O)Nc1ccns1 WXVL_AF00325SB0091 [0,1,0,0,0,1|1,1,0]=4 832 B12R1.53 CCOCC(=O)Nc1ccns1 WXVL_AF00325SB0091 [0,1,0,0,0,1|1,1,0]=4 833 B12R1.53 CCOCC(=O)Nc1ccon1 WXVL_AF0028SB0091 [0,1,0,0,0,1|2,0,0]=4 834 B12R1.53 CCOCC(=O)Nc1ccon1 WXVL_AF0028SB0091 [0,1,0,0,0,1|2,0,0]=4 835 B12R1.53 CCOCC(=O)Nc1ccsc1 WXVL_AF00105SB0091 [0,1,0,0,0,1|2,0,0]=4 836 B12R1.53 CCOCC(=O)Nc1ccsc1 WXVL_AF00105SB0091 [0,1,0,0,0,1|2,0,0]=4 837 B12R1.53 CCOCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0091 [0,1,0,0,0,1|2,0,0]=4 838 B12R1.53 CCOCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0091 [0,1,0,0,0,1|2,0,0]=4 839 B12R1.53 CCOCC(=O)Nc1cncs1 WXVL_AF0724SB0091 [0,1,0,0,0,1|1,1,0]=4 840 B12R1.53 CCOCC(=O)Nc1cncs1 WXVL_AF0724SB0091 [0,1,0,0,0,1|1,1,0]=4 841 B12R1.53 CCOCC(=O)Nc1cscn1 WXVL_AF00216SB0091 [0,1,0,0,0,1|2,0,0]=4 842 B12R1.53 CCOCC(=O)Nc1cscn1 WXVL_AF00216SB0091 [0,1,0,0,0,1|2,0,0]=4 843 B12R1.53 CCOCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0091 [0,1,0,0,0,1|2,0,0]=4 844 B12R1.53 CCOCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0091 [0,1,0,0,0,1|2,0,0]=4 845 B12R1.53 CCOCC(=O)Nc1ncco1 WXVL_AF0235SB0091 [0,1,0,0,0,1|1,0,0]=3 846 B12R1.53 CCOCC(=O)Nc1ncco1 WXVL_AF0235SB0091 [0,1,0,0,0,1|1,0,0]=3 847 B12R1.53 CCOCC(=O)Nc1nccs1 WXVL_AF0003SB0091 [0,1,0,0,0,1|1,1,0]=4 848 B12R1.53 CCOCC(=O)Nc1nccs1 WXVL_AF0003SB0091 [0,1,0,0,0,1|1,1,0]=4 849 B12R1.53 CCOCC(=O)Nc1nnco1 WXVL_AF0087SB0091 [0,1,0,0,0,1|2,0,0]=4 850 B12R1.53 CCOCC(=O)Nc1nnco1 WXVL_AF0087SB0091 [0,1,0,0,0,1|2,0,0]=4 851 B12R1.53 CCSCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0002 [0,1,0,0,0,1|2,0,0]=4 852 B12R1.53 CCSCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0002 [0,1,0,0,0,1|2,0,0]=4 853 B12R1.53 CCSCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0002 [0,1,0,0,0,1|2,0,0]=4 854 B12R1.53 CCSCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0002 [0,1,0,0,0,1|2,0,0]=4 855 B12R1.53 CCSCC(=O)Nc1ccno1 WXVL_AF0588SB0002 [0,1,0,0,0,1|1,0,0]=3 856 B12R1.53 CCSCC(=O)Nc1ccno1 WXVL_AF0588SB0002 [0,1,0,0,0,1|1,0,0]=3 857 B12R1.53 CCSCC(=O)Nc1ccns1 WXVL_AF00325SB0002 [0,1,0,0,0,1|1,1,0]=4 858 B12R1.53 CCSCC(=O)Nc1ccns1 WXVL_AF00325SB0002 [0,1,0,0,0,1|1,1,0]=4 859 B12R1.53 CCSCC(=O)Nc1ccon1 WXVL_AF0028SB0002 [0,1,0,0,0,1|2,0,0]=4 860 B12R1.53 CCSCC(=O)Nc1ccon1 WXVL_AF0028SB0002 [0,1,0,0,0,1|2,0,0]=4 861 B12R1.53 CCSCC(=O)Nc1ccsc1 WXVL_AF00105SB0002 [0,1,0,0,0,1|2,0,0]=4 862 B12R1.53 CCSCC(=O)Nc1ccsc1 WXVL_AF00105SB0002 [0,1,0,0,0,1|2,0,0]=4 863 B12R1.53 CCSCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0002 [0,1,0,0,0,1|2,0,0]=4 864 B12R1.53 CCSCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0002 [0,1,0,0,0,1|2,0,0]=4 865 B12R1.53 CCSCC(=O)Nc1cncs1 WXVL_AF0724SB0002 [0,1,0,0,0,1|1,1,0]=4 866 B12R1.53 CCSCC(=O)Nc1cncs1 WXVL_AF0724SB0002 [0,1,0,0,0,1|1,1,0]=4 867 B12R1.53 CCSCC(=O)Nc1cscn1 WXVL_AF00216SB0002 [0,1,0,0,0,1|2,0,0]=4 868 B12R1.53 CCSCC(=O)Nc1cscn1 WXVL_AF00216SB0002 [0,1,0,0,0,1|2,0,0]=4 869 B12R1.53 CCSCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0002 [0,1,0,0,0,1|2,0,0]=4 870 B12R1.53 CCSCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0002 [0,1,0,0,0,1|2,0,0]=4 871 B12R1.53 CCSCC(=O)Nc1ncco1 WXVL_AF0235SB0002 [0,1,0,0,0,1|1,0,0]=3 872 B12R1.53 CCSCC(=O)Nc1ncco1 WXVL_AF0235SB0002 [0,1,0,0,0,1|1,0,0]=3 873 B12R1.53 CCSCC(=O)Nc1nccs1 WXVL_AF0003SB0002 [0,1,0,0,0,1|1,1,0]=4 874 B12R1.53 CCSCC(=O)Nc1nccs1 WXVL_AF0003SB0002 [0,1,0,0,0,1|1,1,0]=4 875 B12R1.53 CCSCC(=O)Nc1nnco1 WXVL_AF0087SB0002 [0,1,0,0,0,1|2,0,0]=4 876 B12R1.53 CCSCC(=O)Nc1nnco1 WXVL_AF0087SB0002 [0,1,0,0,0,1|2,0,0]=4 877 B12R1.53 COCCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0156 [0,1,0,0,0,1|2,0,0]=4 878 B12R1.53 COCCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0156 [0,1,0,0,0,1|2,0,0]=4 879 B12R1.53 COCCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0156 [0,1,0,0,0,1|2,0,0]=4 880 B12R1.53 COCCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0156 [0,1,0,0,0,1|2,0,0]=4 881 B12R1.53 COCCC(=O)Nc1ccno1 WXVL_AF0588SB0156 [0,1,0,0,0,1|1,0,0]=3 882 B12R1.53 COCCC(=O)Nc1ccno1 WXVL_AF0588SB0156 [0,1,0,0,0,1|1,0,0]=3 883 B12R1.53 COCCC(=O)Nc1ccns1 WXVL_AF00325SB0156 [0,1,0,0,0,1|1,1,0]=4 884 B12R1.53 COCCC(=O)Nc1ccns1 WXVL_AF00325SB0156 [0,1,0,0,0,1|1,1,0]=4 885 B12R1.53 COCCC(=O)Nc1ccon1 WXVL_AF0028SB0156 [0,1,0,0,0,1|2,0,0]=4 886 B12R1.53 COCCC(=O)Nc1ccon1 WXVL_AF0028SB0156 [0,1,0,0,0,1|2,0,0]=4 887 B12R1.53 COCCC(=O)Nc1ccsc1 WXVL_AF00105SB0156 [0,1,0,0,0,1|2,0,0]=4 888 B12R1.53 COCCC(=O)Nc1ccsc1 WXVL_AF00105SB0156 [0,1,0,0,0,1|2,0,0]=4 889 B12R1.53 COCCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0156 [0,1,0,0,0,1|2,0,0]=4 890 B12R1.53 COCCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0156 [0,1,0,0,0,1|2,0,0]=4 891 B12R1.53 COCCC(=O)Nc1cncs1 WXVL_AF0724SB0156 [0,1,0,0,0,1|1,1,0]=4 892 B12R1.53 COCCC(=O)Nc1cncs1 WXVL_AF0724SB0156 [0,1,0,0,0,1|1,1,0]=4 893 B12R1.53 COCCC(=O)Nc1cscn1 WXVL_AF00216SB0156 [0,1,0,0,0,1|2,0,0]=4 894 B12R1.53 COCCC(=O)Nc1cscn1 WXVL_AF00216SB0156 [0,1,0,0,0,1|2,0,0]=4 895 B12R1.53 COCCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0156 [0,1,0,0,0,1|2,0,0]=4 896 B12R1.53 COCCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0156 [0,1,0,0,0,1|2,0,0]=4 897 B12R1.53 COCCC(=O)Nc1ncco1 WXVL_AF0235SB0156 [0,1,0,0,0,1|1,0,0]=3 898 B12R1.53 COCCC(=O)Nc1ncco1 WXVL_AF0235SB0156 [0,1,0,0,0,1|1,0,0]=3 899 B12R1.53 COCCC(=O)Nc1nccs1 WXVL_AF0003SB0156 [0,1,0,0,0,1|1,1,0]=4 900 B12R1.53 COCCC(=O)Nc1nccs1 WXVL_AF0003SB0156 [0,1,0,0,0,1|1,1,0]=4 901 B12R1.53 COCCC(=O)Nc1nnco1 WXVL_AF0087SB0156 [0,1,0,0,0,1|2,0,0]=4 902 B12R1.53 COCCC(=O)Nc1nnco1 WXVL_AF0087SB0156 [0,1,0,0,0,1|2,0,0]=4 903 B12R1.53 CSCCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0361 [0,1,0,0,0,1|2,0,0]=4 904 B12R1.53 CSCCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0361 [0,1,0,0,0,1|2,0,0]=4 905 B12R1.53 CSCCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0361 [0,1,0,0,0,1|2,0,0]=4 906 B12R1.53 CSCCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0361 [0,1,0,0,0,1|2,0,0]=4 907 B12R1.53 CSCCC(=O)Nc1ccno1 WXVL_AF0588SB0361 [0,1,0,0,0,1|1,0,0]=3 908 B12R1.53 CSCCC(=O)Nc1ccno1 WXVL_AF0588SB0361 [0,1,0,0,0,1|1,0,0]=3 909 B12R1.53 CSCCC(=O)Nc1ccns1 WXVL_AF00325SB0361 [0,1,0,0,0,1|1,1,0]=4 910 B12R1.53 CSCCC(=O)Nc1ccns1 WXVL_AF00325SB0361 [0,1,0,0,0,1|1,1,0]=4 911 B12R1.53 CSCCC(=O)Nc1ccon1 WXVL_AF0028SB0361 [0,1,0,0,0,1|2,0,0]=4 912 B12R1.53 CSCCC(=O)Nc1ccon1 WXVL_AF0028SB0361 [0,1,0,0,0,1|2,0,0]=4 913 B12R1.53 CSCCC(=O)Nc1ccsc1 WXVL_AF00105SB0361 [0,1,0,0,0,1|2,0,0]=4 914 B12R1.53 CSCCC(=O)Nc1ccsc1 WXVL_AF00105SB0361 [0,1,0,0,0,1|2,0,0]=4 915 B12R1.53 CSCCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0361 [0,1,0,0,0,1|2,0,0]=4 916 B12R1.53 CSCCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0361 [0,1,0,0,0,1|2,0,0]=4 917 B12R1.53 CSCCC(=O)Nc1cncs1 WXVL_AF0724SB0361 [0,1,0,0,0,1|1,1,0]=4 918 B12R1.53 CSCCC(=O)Nc1cncs1 WXVL_AF0724SB0361 [0,1,0,0,0,1|1,1,0]=4 919 B12R1.53 CSCCC(=O)Nc1cscn1 WXVL_AF00216SB0361 [0,1,0,0,0,1|2,0,0]=4 920 B12R1.53 CSCCC(=O)Nc1cscn1 WXVL_AF00216SB0361 [0,1,0,0,0,1|2,0,0]=4 921 B12R1.53 CSCCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0361 [0,1,0,0,0,1|2,0,0]=4 922 B12R1.53 CSCCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0361 [0,1,0,0,0,1|2,0,0]=4 923 B12R1.53 CSCCC(=O)Nc1ncco1 WXVL_AF0235SB0361 [0,1,0,0,0,1|1,0,0]=3 924 B12R1.53 CSCCC(=O)Nc1ncco1 WXVL_AF0235SB0361 [0,1,0,0,0,1|1,0,0]=3 925 B12R1.53 CSCCC(=O)Nc1nccs1 WXVL_AF0003SB0361 [0,1,0,0,0,1|1,1,0]=4 926 B12R1.53 CSCCC(=O)Nc1nccs1 WXVL_AF0003SB0361 [0,1,0,0,0,1|1,1,0]=4 927 B12R1.53 CSCCC(=O)Nc1nnco1 WXVL_AF0087SB0361 [0,1,0,0,0,1|2,0,0]=4 928 B12R1.53 CSCCC(=O)Nc1nnco1 WXVL_AF0087SB0361 [0,1,0,0,0,1|2,0,0]=4 929 B12R1.53 O=C(Cc1cccs1)NCCF WXVL_AK00466SA0018 [0,1,0,0,0,1|1,1,0]=4 930 B12R1.53 O=C(Cc1cccs1)NCCF WXVL_AK00466SA0018 [0,1,0,0,0,1|1,1,0]=4 931 B12R1.53 O=C(NCCCl)Nc1ccno1 WXVL_AF0588YV0092 [0,1,0,0,0,1|2,0,0]=4 932 B12R1.53 O=C(NCCCl)Nc1ccno1 WXVL_AF0588YV0092 [0,1,0,0,0,1|2,0,0]=4 933 B12R1.53 O=C(NCCCl)Nc1ncco1 WXVL_AF0235YV0092 [0,1,0,0,0,1|2,0,0]=4 934 B12R1.53 O=C(NCCCl)Nc1ncco1 WXVL_AF0235YV0092 [0,1,0,0,0,1|2,0,0]=4 935 B12R1.55 CCNC(=O)C(=O)c1ccco1 WXVL_AK00476SA0049 [0,1,0,0,0,1|1,0,0]=3 936 B12R1.55 CCNC(=O)C(=O)c1ccco1 WXVL_AK00476SA0049 [0,1,0,0,0,1|1,0,0]=3 937 B12R1.55 CCNC(=O)C(C)c1cccs1 WXVL_AK00476SA1203 [0,1,0,0,0,1|1,1,0]=4 938 B12R1.55 CCNC(=O)C(C)c1cccs1 WXVL_AK00476SA1203 [0,1,0,0,0,1|1,1,0]=4 939 B12R1.108 CCC(=O)C(=O)Nc1ccno1 WXVL_AF0588SB0344 [0,1,0,0,0,1|1,0,1]=4 940 B12R1.108 CCC(=O)C(=O)Nc1ccno1 WXVL_AF0588SB0344 [0,1,0,0,0,1|1,0,1]=4 941 B12R1.108 CCC(=O)C(=O)Nc1ncco1 WXVL_AF0235SB0344 [0,1,0,0,0,1|1,0,1]=4 942 B12R1.108 CCC(=O)C(=O)Nc1ncco1 WXVL_AF0235SB0344 [0,1,0,0,0,1|1,0,1]=4 943 B12R1.108 CCC(C)C(=O)Nc1cc[nH]n1 WXVL_AF2373SB0054 [0,1,0,0,0,1|2,0,0]=4 944 B12R1.108 CCC(C)C(=O)Nc1cc[nH]n1 WXVL_AF2373SB0054 [0,1,0,0,0,1|2,0,0]=4 945 B12R1.108 CCC(C)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB0054 [0,1,0,0,0,1|2,0,0]=4 946 B12R1.108 CCC(C)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB0054 [0,1,0,0,0,1|2,0,0]=4 947 B12R1.108 CCC(C)C(=O)Nc1ccno1 WXVL_AF0588SB0054 [0,1,0,0,0,1|1,0,0]=3 948 B12R1.108 CCC(C)C(=O)Nc1ccno1 WXVL_AF0588SB0054 [0,1,0,0,0,1|1,0,0]=3 949 B12R1.108 CCC(C)C(=O)Nc1ccns1 WXVL_AF00325SB0054 [0,1,0,0,0,1|1,1,0]=4 950 B12R1.108 CCC(C)C(=O)Nc1ccns1 WXVL_AF00325SB0054 [0,1,0,0,0,1|1,1,0]=4 951 B12R1.108 CCC(C)C(=O)Nc1ccon1 WXVL_AF0028SB0054 [0,1,0,0,0,1|2,0,0]=4 952 B12R1.108 CCC(C)C(=O)Nc1ccon1 WXVL_AF0028SB0054 [0,1,0,0,0,1|2,0,0]=4 953 B12R1.108 CCC(C)C(=O)Nc1ccsc1 WXVL_AF00105SB0054 [0,1,0,0,0,1|2,0,0]=4 954 B12R1.108 CCC(C)C(=O)Nc1ccsc1 WXVL_AF00105SB0054 [0,1,0,0,0,1|2,0,0]=4 955 B12R1.108 CCC(C)C(=O)Nc1cnc[nH]1 WXVL_AF00103SB0054 [0,1,0,0,0,1|2,0,0]=4 956 B12R1.108 CCC(C)C(=O)Nc1cnc[nH]1 WXVL_AF00103SB0054 [0,1,0,0,0,1|2,0,0]=4 957 B12R1.108 CCC(C)C(=O)Nc1cncs1 WXVL_AF0724SB0054 [0,1,0,0,0,1|1,1,0]=4 958 B12R1.108 CCC(C)C(=O)Nc1cncs1 WXVL_AF0724SB0054 [0,1,0,0,0,1|1,1,0]=4 959 B12R1.108 CCC(C)C(=O)Nc1cscn1 WXVL_AF00216SB0054 [0,1,0,0,0,1|2,0,0]=4 960 B12R1.108 CCC(C)C(=O)Nc1cscn1 WXVL_AF00216SB0054 [0,1,0,0,0,1|2,0,0]=4 961 B12R1.108 CCC(C)C(=O)Nc1ncc[nH]1 WXVL_AF0297SB0054 [0,1,0,0,0,1|2,0,0]=4 962 B12R1.108 CCC(C)C(=O)Nc1ncc[nH]1 WXVL_AF0297SB0054 [0,1,0,0,0,1|2,0,0]=4 963 B12R1.108 CCC(C)C(=O)Nc1ncco1 WXVL_AF0235SB0054 [0,1,0,0,0,1|1,0,0]=3 964 B12R1.108 CCC(C)C(=O)Nc1ncco1 WXVL_AF0235SB0054 [0,1,0,0,0,1|1,0,0]=3 965 B12R1.108 CCC(C)C(=O)Nc1nccs1 WXVL_AF0003SB0054 [0,1,0,0,0,1|1,1,0]=4 966 B12R1.108 CCC(C)C(=O)Nc1nccs1 WXVL_AF0003SB0054 [0,1,0,0,0,1|1,1,0]=4 967 B12R1.108 CCC(C)C(=O)Nc1nnco1 WXVL_AF0087SB0054 [0,1,0,0,0,1|2,0,0]=4 968 B12R1.108 CCC(C)C(=O)Nc1nnco1 WXVL_AF0087SB0054 [0,1,0,0,0,1|2,0,0]=4 969 B12R1.108 CC[C@@H](C)C(=O)Nc1cc[nH]n1 WXVL_AF2373SB00054 [0,1,0,0,0,1|2,0,0]=4 970 B12R1.108 CC[C@@H](C)C(=O)Nc1cc[nH]n1 WXVL_AF2373SB00054 [0,1,0,0,0,1|2,0,0]=4 971 B12R1.108 CC[C@@H](C)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB00054 [0,1,0,0,0,1|2,0,0]=4 972 B12R1.108 CC[C@@H](C)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB00054 [0,1,0,0,0,1|2,0,0]=4 973 B12R1.108 CC[C@@H](C)C(=O)Nc1ccno1 WXVL_AF0588SB00054 [0,1,0,0,0,1|1,0,0]=3 974 B12R1.108 CC[C@@H](C)C(=O)Nc1ccno1 WXVL_AF0588SB00054 [0,1,0,0,0,1|1,0,0]=3 975 B12R1.108 CC[C@@H](C)C(=O)Nc1ccns1 WXVL_AF00325SB00054 [0,1,0,0,0,1|1,1,0]=4 976 B12R1.108 CC[C@@H](C)C(=O)Nc1ccns1 WXVL_AF00325SB00054 [0,1,0,0,0,1|1,1,0]=4 977 B12R1.108 CC[C@@H](C)C(=O)Nc1ccon1 WXVL_AF0028SB00054 [0,1,0,0,0,1|2,0,0]=4 978 B12R1.108 CC[C@@H](C)C(=O)Nc1ccon1 WXVL_AF0028SB00054 [0,1,0,0,0,1|2,0,0]=4 979 B12R1.108 CC[C@@H](C)C(=O)Nc1ccsc1 WXVL_AF00105SB00054 [0,1,0,0,0,1|2,0,0]=4 980 B12R1.108 CC[C@@H](C)C(=O)Nc1ccsc1 WXVL_AF00105SB00054 [0,1,0,0,0,1|2,0,0]=4 981 B12R1.108 CC[C@@H](C)C(=O)Nc1cnc[nH]1 WXVL_AF00103SB00054 [0,1,0,0,0,1|2,0,0]=4 982 B12R1.108 CC[C@@H](C)C(=O)Nc1cnc[nH]1 WXVL_AF00103SB00054 [0,1,0,0,0,1|2,0,0]=4 983 B12R1.108 CC[C@@H](C)C(=O)Nc1cncs1 WXVL_AF0724SB00054 [0,1,0,0,0,1|1,1,0]=4 984 B12R1.108 CC[C@@H](C)C(=O)Nc1cncs1 WXVL_AF0724SB00054 [0,1,0,0,0,1|1,1,0]=4 985 B12R1.108 CC[C@@H](C)C(=O)Nc1cscn1 WXVL_AF00216SB00054 [0,1,0,0,0,1|2,0,0]=4 986 B12R1.108 CC[C@@H](C)C(=O)Nc1cscn1 WXVL_AF00216SB00054 [0,1,0,0,0,1|2,0,0]=4 987 B12R1.108 CC[C@@H](C)C(=O)Nc1ncc[nH]1 WXVL_AF0297SB00054 [0,1,0,0,0,1|2,0,0]=4 988 B12R1.108 CC[C@@H](C)C(=O)Nc1ncc[nH]1 WXVL_AF0297SB00054 [0,1,0,0,0,1|2,0,0]=4 989 B12R1.108 CC[C@@H](C)C(=O)Nc1ncco1 WXVL_AF0235SB00054 [0,1,0,0,0,1|1,0,0]=3 990 B12R1.108 CC[C@@H](C)C(=O)Nc1ncco1 WXVL_AF0235SB00054 [0,1,0,0,0,1|1,0,0]=3 991 B12R1.108 CC[C@@H](C)C(=O)Nc1nccs1 WXVL_AF0003SB00054 [0,1,0,0,0,1|1,1,0]=4 992 B12R1.108 CC[C@@H](C)C(=O)Nc1nccs1 WXVL_AF0003SB00054 [0,1,0,0,0,1|1,1,0]=4 993 B12R1.108 CC[C@@H](C)C(=O)Nc1nnco1 WXVL_AF0087SB00054 [0,1,0,0,0,1|2,0,0]=4 994 B12R1.108 CC[C@@H](C)C(=O)Nc1nnco1 WXVL_AF0087SB00054 [0,1,0,0,0,1|2,0,0]=4 995 B12R1.108 CC[C@H](O)C(=O)Nc1cc[nH]n1 WXVL_AF2373SB3573 [0,1,0,0,0,1|2,0,0]=4 996 B12R1.108 CC[C@H](O)C(=O)Nc1cc[nH]n1 WXVL_AF2373SB3573 [0,1,0,0,0,1|2,0,0]=4 997 B12R1.108 CC[C@H](O)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB3573 [0,1,0,0,0,1|2,0,0]=4 998 B12R1.108 CC[C@H](O)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB3573 [0,1,0,0,0,1|2,0,0]=4 999 B12R1.108 CC[C@H](O)C(=O)Nc1ccno1 WXVL_AF0588SB3573 [0,1,0,0,0,1|1,0,0]=3 1000 B12R1.108 CC[C@H](O)C(=O)Nc1ccno1 WXVL_AF0588SB3573 [0,1,0,0,0,1|1,0,0]=3 1001 B12R1.108 CC[C@H](O)C(=O)Nc1ccns1 WXVL_AF00325SB3573 [0,1,0,0,0,1|1,1,0]=4 1002 B12R1.108 CC[C@H](O)C(=O)Nc1ccns1 WXVL_AF00325SB3573 [0,1,0,0,0,1|1,1,0]=4 1003 B12R1.108 CC[C@H](O)C(=O)Nc1ccon1 WXVL_AF0028SB3573 [0,1,0,0,0,1|2,0,0]=4 1004 B12R1.108 CC[C@H](O)C(=O)Nc1ccon1 WXVL_AF0028SB3573 [0,1,0,0,0,1|2,0,0]=4 1005 B12R1.108 CC[C@H](O)C(=O)Nc1ccsc1 WXVL_AF00105SB3573 [0,1,0,0,0,1|2,0,0]=4 1006 B12R1.108 CC[C@H](O)C(=O)Nc1ccsc1 WXVL_AF00105SB3573 [0,1,0,0,0,1|2,0,0]=4 1007 B12R1.108 CC[C@H](O)C(=O)Nc1cnc[nH]1 WXVL_AF00103SB3573 [0,1,0,0,0,1|2,0,0]=4 1008 B12R1.108 CC[C@H](O)C(=O)Nc1cnc[nH]1 WXVL_AF00103SB3573 [0,1,0,0,0,1|2,0,0]=4 1009 B12R1.108 CC[C@H](O)C(=O)Nc1cncs1 WXVL_AF0724SB3573 [0,1,0,0,0,1|1,1,0]=4 1010 B12R1.108 CC[C@H](O)C(=O)Nc1cncs1 WXVL_AF0724SB3573 [0,1,0,0,0,1|1,1,0]=4 1011 B12R1.108 CC[C@H](O)C(=O)Nc1cscn1 WXVL_AF00216SB3573 [0,1,0,0,0,1|2,0,0]=4 1012 B12R1.108 CC[C@H](O)C(=O)Nc1cscn1 WXVL_AF00216SB3573 [0,1,0,0,0,1|2,0,0]=4 1013 B12R1.108 CC[C@H](O)C(=O)Nc1ncc[nH]1 WXVL_AF0297SB3573 [0,1,0,0,0,1|2,0,0]=4 1014 B12R1.108 CC[C@H](O)C(=O)Nc1ncc[nH]1 WXVL_AF0297SB3573 [0,1,0,0,0,1|2,0,0]=4 1015 B12R1.108 CC[C@H](O)C(=O)Nc1ncco1 WXVL_AF0235SB3573 [0,1,0,0,0,1|1,0,0]=3 1016 B12R1.108 CC[C@H](O)C(=O)Nc1ncco1 WXVL_AF0235SB3573 [0,1,0,0,0,1|1,0,0]=3 1017 B12R1.108 CC[C@H](O)C(=O)Nc1nccs1 WXVL_AF0003SB3573 [0,1,0,0,0,1|1,1,0]=4 1018 B12R1.108 CC[C@H](O)C(=O)Nc1nccs1 WXVL_AF0003SB3573 [0,1,0,0,0,1|1,1,0]=4 1019 B12R1.108 CC[C@H](O)C(=O)Nc1nnco1 WXVL_AF0087SB3573 [0,1,0,0,0,1|2,0,0]=4 1020 B12R1.108 CC[C@H](O)C(=O)Nc1nnco1 WXVL_AF0087SB3573 [0,1,0,0,0,1|2,0,0]=4 1021 B12R1.108 CO[C@H](C)C(=O)Nc1ccno1 WXVL_AF0588SB2926 [0,1,0,0,0,1|2,0,0]=4 1022 B12R1.108 CO[C@H](C)C(=O)Nc1ccno1 WXVL_AF0588SB2926 [0,1,0,0,0,1|2,0,0]=4 1023 B12R1.108 CO[C@H](C)C(=O)Nc1ncco1 WXVL_AF0235SB2926 [0,1,0,0,0,1|2,0,0]=4 1024 B12R1.108 CO[C@H](C)C(=O)Nc1ncco1 WXVL_AF0235SB2926 [0,1,0,0,0,1|2,0,0]=4 1025 B12R1.260 CC(C)CC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0063 [0,1,0,0,0,1|2,0,0]=4 1026 B12R1.260 CC(C)CC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0063 [0,1,0,0,0,1|2,0,0]=4 1027 B12R1.260 CC(C)CC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0063 [0,1,0,0,0,1|2,0,0]=4 1028 B12R1.260 CC(C)CC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0063 [0,1,0,0,0,1|2,0,0]=4 1029 B12R1.260 CC(C)CC(=O)Nc1ccno1 WXVL_AF0588SB0063 [0,1,0,0,0,1|1,0,0]=3 1030 B12R1.260 CC(C)CC(=O)Nc1ccno1 WXVL_AF0588SB0063 [0,1,0,0,0,1|1,0,0]=3 1031 B12R1.260 CC(C)CC(=O)Nc1ccns1 WXVL_AF00325SB0063 [0,1,0,0,0,1|1,1,0]=4 1032 B12R1.260 CC(C)CC(=O)Nc1ccns1 WXVL_AF00325SB0063 [0,1,0,0,0,1|1,1,0]=4 1033 B12R1.260 CC(C)CC(=O)Nc1ccon1 WXVL_AF0028SB0063 [0,1,0,0,0,1|2,0,0]=4 1034 B12R1.260 CC(C)CC(=O)Nc1ccon1 WXVL_AF0028SB0063 [0,1,0,0,0,1|2,0,0]=4 1035 B12R1.260 CC(C)CC(=O)Nc1ccsc1 WXVL_AF00105SB0063 [0,1,0,0,0,1|2,0,0]=4 1036 B12R1.260 CC(C)CC(=O)Nc1ccsc1 WXVL_AF00105SB0063 [0,1,0,0,0,1|2,0,0]=4 1037 B12R1.260 CC(C)CC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0063 [0,1,0,0,0,1|2,0,0]=4 1038 B12R1.260 CC(C)CC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0063 [0,1,0,0,0,1|2,0,0]=4 1039 B12R1.260 CC(C)CC(=O)Nc1cncs1 WXVL_AF0724SB0063 [0,1,0,0,0,1|1,1,0]=4 1040 B12R1.260 CC(C)CC(=O)Nc1cncs1 WXVL_AF0724SB0063 [0,1,0,0,0,1|1,1,0]=4 1041 B12R1.260 CC(C)CC(=O)Nc1cscn1 WXVL_AF00216SB0063 [0,1,0,0,0,1|2,0,0]=4 1042 B12R1.260 CC(C)CC(=O)Nc1cscn1 WXVL_AF00216SB0063 [0,1,0,0,0,1|2,0,0]=4 1043 B12R1.260 CC(C)CC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0063 [0,1,0,0,0,1|2,0,0]=4 1044 B12R1.260 CC(C)CC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0063 [0,1,0,0,0,1|2,0,0]=4 1045 B12R1.260 CC(C)CC(=O)Nc1ncco1 WXVL_AF0235SB0063 [0,1,0,0,0,1|1,0,0]=3 1046 B12R1.260 CC(C)CC(=O)Nc1ncco1 WXVL_AF0235SB0063 [0,1,0,0,0,1|1,0,0]=3 1047 B12R1.260 CC(C)CC(=O)Nc1nccs1 WXVL_AF0003SB0063 [0,1,0,0,0,1|1,1,0]=4 1048 B12R1.260 CC(C)CC(=O)Nc1nccs1 WXVL_AF0003SB0063 [0,1,0,0,0,1|1,1,0]=4 1049 B12R1.260 CC(C)CC(=O)Nc1nnco1 WXVL_AF0087SB0063 [0,1,0,0,0,1|2,0,0]=4 1050 B12R1.260 CC(C)CC(=O)Nc1nnco1 WXVL_AF0087SB0063 [0,1,0,0,0,1|2,0,0]=4 1051 B12R1.260 CC(C)NC(=O)Cc1cccs1 WXVL_AK0030SA0018 [0,1,0,0,0,1|1,1,0]=4 1052 B12R1.260 CC(C)NC(=O)Cc1cccs1 WXVL_AK0030SA0018 [0,1,0,0,0,1|1,1,0]=4 1053 B12R1.260 CC(O)CC(=O)Nc1cc[nH]n1 WXVL_AF2373SB3643 [0,1,0,0,0,1|2,0,0]=4 1054 B12R1.260 CC(O)CC(=O)Nc1cc[nH]n1 WXVL_AF2373SB3643 [0,1,0,0,0,1|2,0,0]=4 1055 B12R1.260 CC(O)CC(=O)Nc1ccn[nH]1 WXVL_AF0122SB3643 [0,1,0,0,0,1|2,0,0]=4 1056 B12R1.260 CC(O)CC(=O)Nc1ccn[nH]1 WXVL_AF0122SB3643 [0,1,0,0,0,1|2,0,0]=4 1057 B12R1.260 CC(O)CC(=O)Nc1ccno1 WXVL_AF0588SB3643 [0,1,0,0,0,1|1,0,0]=3 1058 B12R1.260 CC(O)CC(=O)Nc1ccno1 WXVL_AF0588SB3643 [0,1,0,0,0,1|1,0,0]=3 1059 B12R1.260 CC(O)CC(=O)Nc1ccns1 WXVL_AF00325SB3643 [0,1,0,0,0,1|1,1,0]=4 1060 B12R1.260 CC(O)CC(=O)Nc1ccns1 WXVL_AF00325SB3643 [0,1,0,0,0,1|1,1,0]=4 1061 B12R1.260 CC(O)CC(=O)Nc1ccon1 WXVL_AF0028SB3643 [0,1,0,0,0,1|2,0,0]=4 1062 B12R1.260 CC(O)CC(=O)Nc1ccon1 WXVL_AF0028SB3643 [0,1,0,0,0,1|2,0,0]=4 1063 B12R1.260 CC(O)CC(=O)Nc1ccsc1 WXVL_AF00105SB3643 [0,1,0,0,0,1|2,0,0]=4 1064 B12R1.260 CC(O)CC(=O)Nc1ccsc1 WXVL_AF00105SB3643 [0,1,0,0,0,1|2,0,0]=4 1065 B12R1.260 CC(O)CC(=O)Nc1cnc[nH]1 WXVL_AF00103SB3643 [0,1,0,0,0,1|2,0,0]=4 1066 B12R1.260 CC(O)CC(=O)Nc1cnc[nH]1 WXVL_AF00103SB3643 [0,1,0,0,0,1|2,0,0]=4 1067 B12R1.260 CC(O)CC(=O)Nc1cncs1 WXVL_AF0724SB3643 [0,1,0,0,0,1|1,1,0]=4 1068 B12R1.260 CC(O)CC(=O)Nc1cncs1 WXVL_AF0724SB3643 [0,1,0,0,0,1|1,1,0]=4 1069 B12R1.260 CC(O)CC(=O)Nc1cscn1 WXVL_AF00216SB3643 [0,1,0,0,0,1|2,0,0]=4 1070 B12R1.260 CC(O)CC(=O)Nc1cscn1 WXVL_AF00216SB3643 [0,1,0,0,0,1|2,0,0]=4 1071 B12R1.260 CC(O)CC(=O)Nc1ncc[nH]1 WXVL_AF0297SB3643 [0,1,0,0,0,1|2,0,0]=4 1072 B12R1.260 CC(O)CC(=O)Nc1ncc[nH]1 WXVL_AF0297SB3643 [0,1,0,0,0,1|2,0,0]=4 1073 B12R1.260 CC(O)CC(=O)Nc1ncco1 WXVL_AF0235SB3643 [0,1,0,0,0,1|1,0,0]=3 1074 B12R1.260 CC(O)CC(=O)Nc1ncco1 WXVL_AF0235SB3643 [0,1,0,0,0,1|1,0,0]=3 1075 B12R1.260 CC(O)CC(=O)Nc1nccs1 WXVL_AF0003SB3643 [0,1,0,0,0,1|1,1,0]=4 1076 B12R1.260 CC(O)CC(=O)Nc1nccs1 WXVL_AF0003SB3643 [0,1,0,0,0,1|1,1,0]=4 1077 B12R1.260 CC(O)CC(=O)Nc1nnco1 WXVL_AF0087SB3643 [0,1,0,0,0,1|2,0,0]=4 1078 B12R1.260 CC(O)CC(=O)Nc1nnco1 WXVL_AF0087SB3643 [0,1,0,0,0,1|2,0,0]=4 1079 B12R1.260 CN(C)CC(=O)Nc1ccno1 WXVL_AF0588SB0085 [0,1,0,0,0,1|2,0,0]=4 1080 B12R1.260 CN(C)CC(=O)Nc1ccno1 WXVL_AF0588SB0085 [0,1,0,0,0,1|2,0,0]=4 1081 B12R1.260 CN(C)CC(=O)Nc1ncco1 WXVL_AF0235SB0085 [0,1,0,0,0,1|2,0,0]=4 1082 B12R1.260 CN(C)CC(=O)Nc1ncco1 WXVL_AF0235SB0085 [0,1,0,0,0,1|2,0,0]=4 1083 B12R1.318 CCCC(=O)Nc1[nH]cnc1C WXVL_AF00188SB0073 [0,1,0,0,0,1|2,0,0]=4 1084 B12R1.318 CCCC(=O)Nc1[nH]cnc1C WXVL_AF00188SB0073 [0,1,0,0,0,1|2,0,0]=4 1085 B12R1.318 CCCC(=O)Nc1[nH]ncc1Br WXVL_AF0131SB0073 [0,1,0,0,0,1|2,0,0]=4 1086 B12R1.318 CCCC(=O)Nc1[nH]ncc1Br WXVL_AF0131SB0073 [0,1,0,0,0,1|2,0,0]=4 1087 B12R1.318 CCCC(=O)Nc1[nH]ncc1C WXVL_AF0173SB0073 [0,1,0,0,0,1|2,0,0]=4 1088 B12R1.318 CCCC(=O)Nc1[nH]ncc1C WXVL_AF0173SB0073 [0,1,0,0,0,1|2,0,0]=4 1089 B12R1.318 CCCC(=O)Nc1[nH]ncc1I WXVL_AF0239SB0073 [0,1,0,0,0,1|2,0,0]=4 1090 B12R1.318 CCCC(=O)Nc1[nH]ncc1I WXVL_AF0239SB0073 [0,1,0,0,0,1|2,0,0]=4 1091 B12R1.318 CCCC(=O)Nc1ccnn1C WXVL_AF0198SB0073 [0,1,0,0,0,1|2,0,0]=4 1092 B12R1.318 CCCC(=O)Nc1ccnn1C WXVL_AF0198SB0073 [0,1,0,0,0,1|2,0,0]=4 1093 B12R1.1503 CCCS(=O)(=O)Nc1ccno1 WXVL_AF0588HU0030 [0,1,0,0,0,1|2,0,0]=4 1094 B12R1.1503 CCCS(=O)(=O)Nc1ccno1 WXVL_AF0588HU0030 [0,1,0,0,0,1|2,0,0]=4 1095 B12R1.1503 CCCS(=O)(=O)Nc1ncco1 WXVL_AF0235HU0030 [0,1,0,0,0,1|2,0,0]=4 1096 B12R1.1503 CCCS(=O)(=O)Nc1ncco1 WXVL_AF0235HU0030 [0,1,0,0,0,1|2,0,0]=4 1097 B12R1.29 C=CCNC(=O)c1ccc(o1)C WXVL_AK00561SC0005 [0,2,0,0,0,0|0,0,2]=4 1098 B12R1.29 C=CCNC(=O)c1ccc(o1)C WXVL_AK00561SC0005 [0,2,0,0,0,0|0,0,2]=4 1099 B12R1.29 C=CCNC(=O)c1ccc(o1)Cl WXVL_AK00561SC0926 [0,2,0,0,0,0|0,0,2]=4 1100 B12R1.29 C=CCNC(=O)c1ccc(o1)Cl WXVL_AK00561SC0926 [0,2,0,0,0,0|0,0,2]=4 1101 B12R1.29 CCCNC(=O)c1c[nH]c(c1)C WXVL_AK00504SC0298 [0,2,0,0,0,0|2,0,0]=4 1102 B12R1.29 CCCNC(=O)c1c[nH]c(c1)C WXVL_AK00504SC0298 [0,2,0,0,0,0|2,0,0]=4 1103 B12R1.29 CCCNC(=O)c1c[nH]c(n1)C WXVL_AK00504SC0009 [0,2,0,0,0,0|2,0,0]=4 1104 B12R1.29 CCCNC(=O)c1c[nH]c(n1)C WXVL_AK00504SC0009 [0,2,0,0,0,0|2,0,0]=4 1105 B12R1.29 CCCNC(=O)c1cc([nH]n1)C WXVL_AK00504SC0267 [0,2,0,0,0,0|2,0,0]=4 1106 B12R1.29 CCCNC(=O)c1cc([nH]n1)C WXVL_AK00504SC0267 [0,2,0,0,0,0|2,0,0]=4 1107 B12R1.29 CCCNC(=O)c1cc(c[nH]1)Br WXVL_AK00504SC0644 [0,2,0,0,0,0|1,0,0]=3 1108 B12R1.29 CCCNC(=O)c1cc(c[nH]1)Br WXVL_AK00504SC0644 [0,2,0,0,0,0|1,0,0]=3 1109 B12R1.29 CCCNC(=O)c1cc(c[nH]1)C WXVL_AK00504SC0830 [0,2,0,0,0,0|1,0,0]=3 1110 B12R1.29 CCCNC(=O)c1cc(c[nH]1)C WXVL_AK00504SC0830 [0,2,0,0,0,0|1,0,0]=3 1111 B12R1.29 CCCNC(=O)c1cc(c[nH]1)F WXVL_AK00504SC0334 [0,2,0,0,0,0|1,0,0]=3 1112 B12R1.29 CCCNC(=O)c1cc(c[nH]1)F WXVL_AK00504SC0334 [0,2,0,0,0,0|1,0,0]=3 1113 B12R1.29 CCCNC(=O)c1cc(cs1)Br WXVL_AK00504SC0188 [0,2,0,0,0,0|0,1,0]=3 1114 B12R1.29 CCCNC(=O)c1cc(cs1)Br WXVL_AK00504SC0188 [0,2,0,0,0,0|0,1,0]=3 1115 B12R1.29 CCCNC(=O)c1cc(cs1)C WXVL_AK00504SC0004 [0,2,0,0,0,0|0,1,0]=3 1116 B12R1.29 CCCNC(=O)c1cc(cs1)C WXVL_AK00504SC0004 [0,2,0,0,0,0|0,1,0]=3 1117 B12R1.29 CCCNC(=O)c1cc(n[nH]1)C WXVL_AK00504SC2215 [0,2,0,0,0,0|2,0,0]=4 1118 B12R1.29 CCCNC(=O)c1cc(n[nH]1)C WXVL_AK00504SC2215 [0,2,0,0,0,0|2,0,0]=4 1119 B12R1.29 CCCNC(=O)c1cc(no1)C WXVL_AK00504SC0089 [0,2,0,0,0,0|1,0,0]=3 1120 B12R1.29 CCCNC(=O)c1cc(no1)C WXVL_AK00504SC0089 [0,2,0,0,0,0|1,0,0]=3 1121 B12R1.29 CCCNC(=O)c1cc(no1)O WXVL_AK00504SC0522 [0,2,0,0,0,0|1,0,0]=3 1122 B12R1.29 CCCNC(=O)c1cc(no1)O WXVL_AK00504SC0522 [0,2,0,0,0,0|1,0,0]=3 1123 B12R1.29 CCCNC(=O)c1cc(on1)C WXVL_AK00504SC0101 [0,2,0,0,0,0|2,0,0]=4 1124 B12R1.29 CCCNC(=O)c1cc(on1)C WXVL_AK00504SC0101 [0,2,0,0,0,0|2,0,0]=4 1125 B12R1.29 CCCNC(=O)c1ccc(o1)C WXVL_AK00504SC0005 [0,2,0,0,0,0|0,0,0]=2 1126 B12R1.29 CCCNC(=O)c1ccc(o1)C WXVL_AK00504SC0005 [0,2,0,0,0,0|0,0,0]=2 1127 B12R1.29 CCCNC(=O)c1ccc(o1)Cl WXVL_AK00504SC0926 [0,2,0,0,0,0|0,0,0]=2 1128 B12R1.29 CCCNC(=O)c1ccc(o1)Cl WXVL_AK00504SC0926 [0,2,0,0,0,0|0,0,0]=2 1129 B12R1.29 CCCNC(=O)c1ccc(s1)Br WXVL_AK00504SC0359 [0,2,0,0,0,0|0,1,0]=3 1130 B12R1.29 CCCNC(=O)c1ccc(s1)Br WXVL_AK00504SC0359 [0,2,0,0,0,0|0,1,0]=3 1131 B12R1.29 CCCNC(=O)c1ccc(s1)C WXVL_AK00504SC0053 [0,2,0,0,0,0|0,1,0]=3 1132 B12R1.29 CCCNC(=O)c1ccc(s1)C WXVL_AK00504SC0053 [0,2,0,0,0,0|0,1,0]=3 1133 B12R1.29 CCCNC(=O)c1ccc(s1)Cl WXVL_AK00504SC0067 [0,2,0,0,0,0|0,1,0]=3 1134 B12R1.29 CCCNC(=O)c1ccc(s1)Cl WXVL_AK00504SC0067 [0,2,0,0,0,0|0,1,0]=3 1135 B12R1.29 CCCNC(=O)c1ccn(c1)C WXVL_AK00504SC0038 [0,2,0,0,0,0|2,0,0]=4 1136 B12R1.29 CCCNC(=O)c1ccn(c1)C WXVL_AK00504SC0038 [0,2,0,0,0,0|2,0,0]=4 1137 B12R1.29 CCCNC(=O)c1ccn(n1)C WXVL_AK00504SC0091 [0,2,0,0,0,0|2,0,0]=4 1138 B12R1.29 CCCNC(=O)c1ccn(n1)C WXVL_AK00504SC0091 [0,2,0,0,0,0|2,0,0]=4 1139 B12R1.29 CCCNC(=O)c1cn(cn1)C WXVL_AK00504SC0111 [0,2,0,0,0,0|2,0,0]=4 1140 B12R1.29 CCCNC(=O)c1cn(cn1)C WXVL_AK00504SC0111 [0,2,0,0,0,0|2,0,0]=4 1141 B12R1.29 CCCNC(=O)c1cnc([nH]1)O WXVL_AK00504SC0498 [0,2,0,0,0,0|2,0,0]=4 1142 B12R1.29 CCCNC(=O)c1cnc([nH]1)O WXVL_AK00504SC0498 [0,2,0,0,0,0|2,0,0]=4 1143 B12R1.29 CCCNC(=O)c1cnc(o1)Br WXVL_AK00504SC0815 [0,2,0,0,0,0|1,0,0]=3 1144 B12R1.29 CCCNC(=O)c1cnc(o1)Br WXVL_AK00504SC0815 [0,2,0,0,0,0|1,0,0]=3 1145 B12R1.29 CCCNC(=O)c1cnc(s1)Br WXVL_AK00504SC0723 [0,2,0,0,0,0|1,1,0]=4 1146 B12R1.29 CCCNC(=O)c1cnc(s1)Br WXVL_AK00504SC0723 [0,2,0,0,0,0|1,1,0]=4 1147 B12R1.29 CCCNC(=O)c1cnc(s1)C WXVL_AK00504SC0326 [0,2,0,0,0,0|1,1,0]=4 1148 B12R1.29 CCCNC(=O)c1cnc(s1)C WXVL_AK00504SC0326 [0,2,0,0,0,0|1,1,0]=4 1149 B12R1.29 CCCNC(=O)c1cnc(s1)Cl WXVL_AK00504SC0638 [0,2,0,0,0,0|1,1,0]=4 1150 B12R1.29 CCCNC(=O)c1cnc(s1)Cl WXVL_AK00504SC0638 [0,2,0,0,0,0|1,1,0]=4 1151 B12R1.29 CCCNC(=O)c1coc(n1)C WXVL_AK00504SC0086 [0,2,0,0,0,0|2,0,0]=4 1152 B12R1.29 CCCNC(=O)c1coc(n1)C WXVL_AK00504SC0086 [0,2,0,0,0,0|2,0,0]=4 1153 B12R1.29 CCCNC(=O)c1coc(n1)Cl WXVL_AK00504SC1341 [0,2,0,0,0,0|2,0,0]=4 1154 B12R1.29 CCCNC(=O)c1coc(n1)Cl WXVL_AK00504SC1341 [0,2,0,0,0,0|2,0,0]=4 1155 B12R1.29 CCCNC(=O)c1csc(c1)Br WXVL_AK00504SC0189 [0,2,0,0,0,0|2,0,0]=4 1156 B12R1.29 CCCNC(=O)c1csc(c1)Br WXVL_AK00504SC0189 [0,2,0,0,0,0|2,0,0]=4 1157 B12R1.29 CCCNC(=O)c1csc(n1)C WXVL_AK00504SC0112 [0,2,0,0,0,0|2,0,0]=4 1158 B12R1.29 CCCNC(=O)c1csc(n1)C WXVL_AK00504SC0112 [0,2,0,0,0,0|2,0,0]=4 1159 B12R1.29 CCCNC(=O)c1csc(n1)Cl WXVL_AK00504SC0688 [0,2,0,0,0,0|2,0,0]=4 1160 B12R1.29 CCCNC(=O)c1csc(n1)Cl WXVL_AK00504SC0688 [0,2,0,0,0,0|2,0,0]=4 1161 B12R1.29 CCCNC(=O)c1nc(cs1)Br WXVL_AK00504SC0687 [0,2,0,0,0,0|1,1,0]=4 1162 B12R1.29 CCCNC(=O)c1nc(cs1)Br WXVL_AK00504SC0687 [0,2,0,0,0,0|1,1,0]=4 1163 B12R1.29 CCCNC(=O)c1nc(cs1)C WXVL_AK00504SC0538 [0,2,0,0,0,0|1,1,0]=4 1164 B12R1.29 CCCNC(=O)c1nc(cs1)C WXVL_AK00504SC0538 [0,2,0,0,0,0|1,1,0]=4 1165 B12R1.29 CCCNC(=O)c1ncc(s1)C WXVL_AK00504SC0031 [0,2,0,0,0,0|1,1,0]=4 1166 B12R1.29 CCCNC(=O)c1ncc(s1)C WXVL_AK00504SC0031 [0,2,0,0,0,0|1,1,0]=4 1167 B12R1.29 Cc1c[nH]c(c1)C(=O)NCCF WXVL_AK00466SC0830 [0,2,0,0,0,0|2,0,0]=4 1168 B12R1.29 Cc1c[nH]c(c1)C(=O)NCCF WXVL_AK00466SC0830 [0,2,0,0,0,0|2,0,0]=4 1169 B12R1.29 Cc1cc(on1)C(=O)NCCF WXVL_AK00466SC0089 [0,2,0,0,0,0|2,0,0]=4 1170 B12R1.29 Cc1cc(on1)C(=O)NCCF WXVL_AK00466SC0089 [0,2,0,0,0,0|2,0,0]=4 1171 B12R1.29 Cc1ccc(o1)C(=O)NCC#N WXVL_AK0683SC0005 [0,2,0,0,0,0|1,0,1]=4 1172 B12R1.29 Cc1ccc(o1)C(=O)NCC#N WXVL_AK0683SC0005 [0,2,0,0,0,0|1,0,1]=4 1173 B12R1.29 Cc1ccc(o1)C(=O)NCCF WXVL_AK00466SC0005 [0,2,0,0,0,0|1,0,0]=3 1174 B12R1.29 Cc1ccc(o1)C(=O)NCCF WXVL_AK00466SC0005 [0,2,0,0,0,0|1,0,0]=3 1175 B12R1.29 Cc1ccc(s1)C(=O)NCCF WXVL_AK00466SC0053 [0,2,0,0,0,0|1,1,0]=4 1176 B12R1.29 Cc1ccc(s1)C(=O)NCCF WXVL_AK00466SC0053 [0,2,0,0,0,0|1,1,0]=4 1177 B12R1.29 Cc1csc(c1)C(=O)NCCF WXVL_AK00466SC0004 [0,2,0,0,0,0|1,1,0]=4 1178 B12R1.29 Cc1csc(c1)C(=O)NCCF WXVL_AK00466SC0004 [0,2,0,0,0,0|1,1,0]=4 1179 B12R1.29 N#CCNC(=O)c1ccc(o1)Cl WXVL_AK0683SC0926 [0,2,0,0,0,0|1,0,1]=4 1180 B12R1.29 N#CCNC(=O)c1ccc(o1)Cl WXVL_AK0683SC0926 [0,2,0,0,0,0|1,0,1]=4 1181 B12R1.29 O=C(NCCF)c1cc(c[nH]1)Br WXVL_AK00466SC0644 [0,2,0,0,0,0|2,0,0]=4 1182 B12R1.29 O=C(NCCF)c1cc(c[nH]1)Br WXVL_AK00466SC0644 [0,2,0,0,0,0|2,0,0]=4 1183 B12R1.29 O=C(NCCF)c1cc(c[nH]1)F WXVL_AK00466SC0334 [0,2,0,0,0,0|2,0,0]=4 1184 B12R1.29 O=C(NCCF)c1cc(c[nH]1)F WXVL_AK00466SC0334 [0,2,0,0,0,0|2,0,0]=4 1185 B12R1.29 O=C(NCCF)c1cc(cs1)Br WXVL_AK00466SC0188 [0,2,0,0,0,0|1,1,0]=4 1186 B12R1.29 O=C(NCCF)c1cc(cs1)Br WXVL_AK00466SC0188 [0,2,0,0,0,0|1,1,0]=4 1187 B12R1.29 O=C(NCCF)c1cc(no1)O WXVL_AK00466SC0522 [0,2,0,0,0,0|2,0,0]=4 1188 B12R1.29 O=C(NCCF)c1cc(no1)O WXVL_AK00466SC0522 [0,2,0,0,0,0|2,0,0]=4 1189 B12R1.29 O=C(NCCF)c1ccc(o1)Cl WXVL_AK00466SC0926 [0,2,0,0,0,0|1,0,0]=3 1190 B12R1.29 O=C(NCCF)c1ccc(o1)Cl WXVL_AK00466SC0926 [0,2,0,0,0,0|1,0,0]=3 1191 B12R1.29 O=C(NCCF)c1ccc(s1)Br WXVL_AK00466SC0359 [0,2,0,0,0,0|1,1,0]=4 1192 B12R1.29 O=C(NCCF)c1ccc(s1)Br WXVL_AK00466SC0359 [0,2,0,0,0,0|1,1,0]=4 1193 B12R1.29 O=C(NCCF)c1ccc(s1)Cl WXVL_AK00466SC0067 [0,2,0,0,0,0|1,1,0]=4 1194 B12R1.29 O=C(NCCF)c1ccc(s1)Cl WXVL_AK00466SC0067 [0,2,0,0,0,0|1,1,0]=4 1195 B12R1.29 O=C(NCCF)c1cnc(o1)Br WXVL_AK00466SC0815 [0,2,0,0,0,0|2,0,0]=4 1196 B12R1.29 O=C(NCCF)c1cnc(o1)Br WXVL_AK00466SC0815 [0,2,0,0,0,0|2,0,0]=4 1197 B12R1.103 CC(C)NC(=O)c1cc(c[nH]1)Br WXVL_AK0030SC0644 [0,2,0,0,0,0|2,0,0]=4 1198 B12R1.103 CC(C)NC(=O)c1cc(c[nH]1)Br WXVL_AK0030SC0644 [0,2,0,0,0,0|2,0,0]=4 1199 B12R1.103 CC(C)NC(=O)c1cc(c[nH]1)F WXVL_AK0030SC0334 [0,2,0,0,0,0|2,0,0]=4 1200 B12R1.103 CC(C)NC(=O)c1cc(c[nH]1)F WXVL_AK0030SC0334 [0,2,0,0,0,0|2,0,0]=4 1201 B12R1.103 CC(C)NC(=O)c1cc(cs1)Br WXVL_AK0030SC0188 [0,2,0,0,0,0|1,1,0]=4 1202 B12R1.103 CC(C)NC(=O)c1cc(cs1)Br WXVL_AK0030SC0188 [0,2,0,0,0,0|1,1,0]=4 1203 B12R1.103 CC(C)NC(=O)c1cc(no1)O WXVL_AK0030SC0522 [0,2,0,0,0,0|2,0,0]=4 1204 B12R1.103 CC(C)NC(=O)c1cc(no1)O WXVL_AK0030SC0522 [0,2,0,0,0,0|2,0,0]=4 1205 B12R1.103 CC(C)NC(=O)c1ccc(o1)Cl WXVL_AK0030SC0926 [0,2,0,0,0,0|1,0,0]=3 1206 B12R1.103 CC(C)NC(=O)c1ccc(o1)Cl WXVL_AK0030SC0926 [0,2,0,0,0,0|1,0,0]=3 1207 B12R1.103 CC(C)NC(=O)c1ccc(s1)Br WXVL_AK0030SC0359 [0,2,0,0,0,0|1,1,0]=4 1208 B12R1.103 CC(C)NC(=O)c1ccc(s1)Br WXVL_AK0030SC0359 [0,2,0,0,0,0|1,1,0]=4 1209 B12R1.103 CC(C)NC(=O)c1ccc(s1)Cl WXVL_AK0030SC0067 [0,2,0,0,0,0|1,1,0]=4 1210 B12R1.103 CC(C)NC(=O)c1ccc(s1)Cl WXVL_AK0030SC0067 [0,2,0,0,0,0|1,1,0]=4 1211 B12R1.103 CC(C)NC(=O)c1cnc(o1)Br WXVL_AK0030SC0815 [0,2,0,0,0,0|2,0,0]=4 1212 B12R1.103 CC(C)NC(=O)c1cnc(o1)Br WXVL_AK0030SC0815 [0,2,0,0,0,0|2,0,0]=4 1213 B12R1.103 Cc1c[nH]c(c1)C(=O)NC(C)C WXVL_AK0030SC0830 [0,2,0,0,0,0|2,0,0]=4 1214 B12R1.103 Cc1c[nH]c(c1)C(=O)NC(C)C WXVL_AK0030SC0830 [0,2,0,0,0,0|2,0,0]=4 1215 B12R1.103 Cc1cc(on1)C(=O)NC(C)C WXVL_AK0030SC0089 [0,2,0,0,0,0|2,0,0]=4 1216 B12R1.103 Cc1cc(on1)C(=O)NC(C)C WXVL_AK0030SC0089 [0,2,0,0,0,0|2,0,0]=4 1217 B12R1.103 Cc1ccc(o1)C(=O)NC(C)C WXVL_AK0030SC0005 [0,2,0,0,0,0|1,0,0]=3 1218 B12R1.103 Cc1ccc(o1)C(=O)NC(C)C WXVL_AK0030SC0005 [0,2,0,0,0,0|1,0,0]=3 1219 B12R1.103 Cc1ccc(s1)C(=O)NC(C)C WXVL_AK0030SC0053 [0,2,0,0,0,0|1,1,0]=4 1220 B12R1.103 Cc1ccc(s1)C(=O)NC(C)C WXVL_AK0030SC0053 [0,2,0,0,0,0|1,1,0]=4 1221 B12R1.103 Cc1csc(c1)C(=O)NC(C)C WXVL_AK0030SC0004 [0,2,0,0,0,0|1,1,0]=4 1222 B12R1.103 Cc1csc(c1)C(=O)NC(C)C WXVL_AK0030SC0004 [0,2,0,0,0,0|1,1,0]=4 1223 B12R1.312 CCNC(=O)c1cc(c[nH]1)C#N WXVL_AK00476SC2642 [0,2,0,0,0,0|2,0,0]=4 1224 B12R1.312 CCNC(=O)c1cc(c[nH]1)C#N WXVL_AK00476SC2642 [0,2,0,0,0,0|2,0,0]=4 1225 B12R1.312 CCNC(=O)c1ccc(o1)CO WXVL_AK00476SC0443 [0,2,0,0,0,0|1,0,0]=3 1226 B12R1.312 CCNC(=O)c1ccc(o1)CO WXVL_AK00476SC0443 [0,2,0,0,0,0|1,0,0]=3 1227 B12R1.312 CCNC(=O)c1ccc(s1)C#N WXVL_AK00476SC0586 [0,2,0,0,0,0|1,1,0]=4 1228 B12R1.312 CCNC(=O)c1ccc(s1)C#N WXVL_AK00476SC0586 [0,2,0,0,0,0|1,1,0]=4 1229 B12R1.312 CCNC(=O)c1ccc(s1)OC WXVL_AK00476SC1134 [0,2,0,0,0,0|1,1,0]=4 1230 B12R1.312 CCNC(=O)c1ccc(s1)OC WXVL_AK00476SC1134 [0,2,0,0,0,0|1,1,0]=4 1231 B12R1.312 CCNC(=O)c1ccc(s1)SC WXVL_AK00476SC0929 [0,2,0,0,0,0|1,1,0]=4 1232 B12R1.312 CCNC(=O)c1ccc(s1)SC WXVL_AK00476SC0929 [0,2,0,0,0,0|1,1,0]=4 1233 B12R1.313 CCNC(=O)c1cc(cn1C)F WXVL_AK00476SC0315 [0,2,0,0,0,0|2,0,0]=4 1234 B12R1.313 CCNC(=O)c1cc(cn1C)F WXVL_AK00476SC0315 [0,2,0,0,0,0|2,0,0]=4 1235 B12R1.313 CCNC(=O)c1oc(nc1C)C WXVL_AK00476SC0466 [0,2,0,0,0,0|2,0,0]=4 1236 B12R1.313 CCNC(=O)c1oc(nc1C)C WXVL_AK00476SC0466 [0,2,0,0,0,0|2,0,0]=4 1237 B12R1.313 CCNC(=O)c1sc(cc1Br)Br WXVL_AK00476SC0250 [0,2,0,0,0,0|1,1,0]=4 1238 B12R1.313 CCNC(=O)c1sc(cc1Br)Br WXVL_AK00476SC0250 [0,2,0,0,0,0|1,1,0]=4 1239 B12R1.314 CCNC(=O)c1cc(c(s1)Br)C WXVL_AK00476SC1503 [0,2,0,0,0,0|1,1,0]=4 1240 B12R1.314 CCNC(=O)c1cc(c(s1)Br)C WXVL_AK00476SC1503 [0,2,0,0,0,0|1,1,0]=4 1241 B12R1.314 CCNC(=O)c1cc(c(s1)Br)Cl WXVL_AK00476SC1222 [0,2,0,0,0,0|1,1,0]=4 1242 B12R1.314 CCNC(=O)c1cc(c(s1)Br)Cl WXVL_AK00476SC1222 [0,2,0,0,0,0|1,1,0]=4 1243 B12R1.314 CCNC(=O)c1cc(c(s1)C)Br WXVL_AK00476SC1300 [0,2,0,0,0,0|1,1,0]=4 1244 B12R1.314 CCNC(=O)c1cc(c(s1)C)Br WXVL_AK00476SC1300 [0,2,0,0,0,0|1,1,0]=4 1245 B12R1.314 CCNC(=O)c1cc(c(s1)Cl)Cl WXVL_AK00476SC1256 [0,2,0,0,0,0|1,1,0]=4 1246 B12R1.314 CCNC(=O)c1cc(c(s1)Cl)Cl WXVL_AK00476SC1256 [0,2,0,0,0,0|1,1,0]=4 1247 B12R1.1579 CCNC(=O)c1[nH]cc(c1C)C WXVL_AK00476SC0721 [0,2,0,0,0,0|2,0,0]=4 1248 B12R1.1579 CCNC(=O)c1[nH]cc(c1C)C WXVL_AK00476SC0721 [0,2,0,0,0,0|2,0,0]=4 1249 B12R1.1579 CCNC(=O)c1scc(c1C)C WXVL_AK00476SC1211 [0,2,0,0,0,0|1,1,0]=4 1250 B12R1.1579 CCNC(=O)c1scc(c1C)C WXVL_AK00476SC1211 [0,2,0,0,0,0|1,1,0]=4 1251 B12R1.1579 CCNC(=O)c1scc(c1Cl)C WXVL_AK00476SC0955 [0,2,0,0,0,0|1,1,0]=4 1252 B12R1.1579 CCNC(=O)c1scc(c1Cl)C WXVL_AK00476SC0955 [0,2,0,0,0,0|1,1,0]=4 1253 B12R1.15 C#C[C@@H](C)NC(=O)c1ccco1 WXVL_AK00735SC0049 [0,2,0,0,0,0|1,0,0]=3 1254 B12R1.15 C#C[C@@H](C)NC(=O)c1ccco1 WXVL_AK00735SC0049 [0,2,0,0,0,0|1,0,0]=3 1255 B12R1.15 C#C[C@@H](C)NC(=O)c1cccs1 WXVL_AK00735SC0051 [0,2,0,0,0,0|1,1,0]=4 1256 B12R1.15 C#C[C@@H](C)NC(=O)c1cccs1 WXVL_AK00735SC0051 [0,2,0,0,0,0|1,1,0]=4 1257 B12R1.15 C#C[C@@H](C)NC(=O)c1ccno1 WXVL_AK00735SC0080 [0,2,0,0,0,0|2,0,0]=4 1258 B12R1.15 C#C[C@@H](C)NC(=O)c1ccno1 WXVL_AK00735SC0080 [0,2,0,0,0,0|2,0,0]=4 1259 B12R1.15 C#C[C@@H](C)NC(=O)c1cnco1 WXVL_AK00735SC0018 [0,2,0,0,0,0|2,0,0]=4 1260 B12R1.15 C#C[C@@H](C)NC(=O)c1cnco1 WXVL_AK00735SC0018 [0,2,0,0,0,0|2,0,0]=4 1261 B12R1.15 C=CC(C)NC(=O)c1ccco1 WXVL_AK00769SC0049 [0,2,0,0,0,0|1,0,0]=3 1262 B12R1.15 C=CC(C)NC(=O)c1ccco1 WXVL_AK00769SC0049 [0,2,0,0,0,0|1,0,0]=3 1263 B12R1.15 C=CC(C)NC(=O)c1cccs1 WXVL_AK00769SC0051 [0,2,0,0,0,0|1,1,0]=4 1264 B12R1.15 C=CC(C)NC(=O)c1cccs1 WXVL_AK00769SC0051 [0,2,0,0,0,0|1,1,0]=4 1265 B12R1.15 C=CC(C)NC(=O)c1ccno1 WXVL_AK00769SC0080 [0,2,0,0,0,0|2,0,0]=4 1266 B12R1.15 C=CC(C)NC(=O)c1ccno1 WXVL_AK00769SC0080 [0,2,0,0,0,0|2,0,0]=4 1267 B12R1.15 C=CC(C)NC(=O)c1cnco1 WXVL_AK00769SC0018 [0,2,0,0,0,0|2,0,0]=4 1268 B12R1.15 C=CC(C)NC(=O)c1cnco1 WXVL_AK00769SC0018 [0,2,0,0,0,0|2,0,0]=4 1269 B12R1.15 CC(C#N)NC(=O)c1ccco1 WXVL_AK00810SC0049 [0,2,0,0,0,0|1,0,0]=3 1270 B12R1.15 CC(C#N)NC(=O)c1ccco1 WXVL_AK00810SC0049 [0,2,0,0,0,0|1,0,0]=3 1271 B12R1.15 CC(C#N)NC(=O)c1cccs1 WXVL_AK00810SC0051 [0,2,0,0,0,0|1,1,0]=4 1272 B12R1.15 CC(C#N)NC(=O)c1cccs1 WXVL_AK00810SC0051 [0,2,0,0,0,0|1,1,0]=4 1273 B12R1.15 CC(C#N)NC(=O)c1ccno1 WXVL_AK00810SC0080 [0,2,0,0,0,0|2,0,0]=4 1274 B12R1.15 CC(C#N)NC(=O)c1ccno1 WXVL_AK00810SC0080 [0,2,0,0,0,0|2,0,0]=4 1275 B12R1.15 CC(C#N)NC(=O)c1cnco1 WXVL_AK00810SC0018 [0,2,0,0,0,0|2,0,0]=4 1276 B12R1.15 CC(C#N)NC(=O)c1cnco1 WXVL_AK00810SC0018 [0,2,0,0,0,0|2,0,0]=4 1277 B12R1.15 CC[C@H](C)NC(=O)c1c[nH]cn1 WXVL_AK00678SC0074 [0,2,0,0,0,0|2,0,0]=4 1278 B12R1.15 CC[C@H](C)NC(=O)c1c[nH]cn1 WXVL_AK00678SC0074 [0,2,0,0,0,0|2,0,0]=4 1279 B12R1.15 CC[C@H](C)NC(=O)c1cc[nH]c1 WXVL_AK00678SC0013 [0,2,0,0,0,0|2,0,0]=4 1280 B12R1.15 CC[C@H](C)NC(=O)c1cc[nH]c1 WXVL_AK00678SC0013 [0,2,0,0,0,0|2,0,0]=4 1281 B12R1.15 CC[C@H](C)NC(=O)c1cc[nH]n1 WXVL_AK00678SC0003 [0,2,0,0,0,0|2,0,0]=4 1282 B12R1.15 CC[C@H](C)NC(=O)c1cc[nH]n1 WXVL_AK00678SC0003 [0,2,0,0,0,0|2,0,0]=4 1283 B12R1.15 CC[C@H](C)NC(=O)c1ccco1 WXVL_AK00678SC0049 [0,2,0,0,0,0|0,0,0]=2 1284 B12R1.15 CC[C@H](C)NC(=O)c1ccco1 WXVL_AK00678SC0049 [0,2,0,0,0,0|0,0,0]=2 1285 B12R1.15 CC[C@H](C)NC(=O)c1cccs1 WXVL_AK00678SC0051 [0,2,0,0,0,0|0,1,0]=3 1286 B12R1.15 CC[C@H](C)NC(=O)c1cccs1 WXVL_AK00678SC0051 [0,2,0,0,0,0|0,1,0]=3 1287 B12R1.15 CC[C@H](C)NC(=O)c1ccno1 WXVL_AK00678SC0080 [0,2,0,0,0,0|1,0,0]=3 1288 B12R1.15 CC[C@H](C)NC(=O)c1ccno1 WXVL_AK00678SC0080 [0,2,0,0,0,0|1,0,0]=3 1289 B12R1.15 CC[C@H](C)NC(=O)c1ccns1 WXVL_AK00678SC0027 [0,2,0,0,0,0|1,1,0]=4 1290 B12R1.15 CC[C@H](C)NC(=O)c1ccns1 WXVL_AK00678SC0027 [0,2,0,0,0,0|1,1,0]=4 1291 B12R1.15 CC[C@H](C)NC(=O)c1ccoc1 WXVL_AK00678SC0050 [0,2,0,0,0,0|2,0,0]=4 1292 B12R1.15 CC[C@H](C)NC(=O)c1ccoc1 WXVL_AK00678SC0050 [0,2,0,0,0,0|2,0,0]=4 1293 B12R1.15 CC[C@H](C)NC(=O)c1ccon1 WXVL_AK00678SC0116 [0,2,0,0,0,0|2,0,0]=4 1294 B12R1.15 CC[C@H](C)NC(=O)c1ccon1 WXVL_AK00678SC0116 [0,2,0,0,0,0|2,0,0]=4 1295 B12R1.15 CC[C@H](C)NC(=O)c1ccsc1 WXVL_AK00678SC0054 [0,2,0,0,0,0|2,0,0]=4 1296 B12R1.15 CC[C@H](C)NC(=O)c1ccsc1 WXVL_AK00678SC0054 [0,2,0,0,0,0|2,0,0]=4 1297 B12R1.15 CC[C@H](C)NC(=O)c1ccsn1 WXVL_AK00678SC0764 [0,2,0,0,0,0|2,0,0]=4 1298 B12R1.15 CC[C@H](C)NC(=O)c1ccsn1 WXVL_AK00678SC0764 [0,2,0,0,0,0|2,0,0]=4 1299 B12R1.15 CC[C@H](C)NC(=O)c1cnc[nH]1 WXVL_AK00678SC0247 [0,2,0,0,0,0|2,0,0]=4 1300 B12R1.15 CC[C@H](C)NC(=O)c1cnc[nH]1 WXVL_AK00678SC0247 [0,2,0,0,0,0|2,0,0]=4 1301 B12R1.15 CC[C@H](C)NC(=O)c1cnco1 WXVL_AK00678SC0018 [0,2,0,0,0,0|1,0,0]=3 1302 B12R1.15 CC[C@H](C)NC(=O)c1cnco1 WXVL_AK00678SC0018 [0,2,0,0,0,0|1,0,0]=3 1303 B12R1.15 CC[C@H](C)NC(=O)c1cncs1 WXVL_AK00678SC0113 [0,2,0,0,0,0|1,1,0]=4 1304 B12R1.15 CC[C@H](C)NC(=O)c1cncs1 WXVL_AK00678SC0113 [0,2,0,0,0,0|1,1,0]=4 1305 B12R1.15 CC[C@H](C)NC(=O)c1cocn1 WXVL_AK00678SC0118 [0,2,0,0,0,0|2,0,0]=4 1306 B12R1.15 CC[C@H](C)NC(=O)c1cocn1 WXVL_AK00678SC0118 [0,2,0,0,0,0|2,0,0]=4 1307 B12R1.15 CC[C@H](C)NC(=O)c1cscn1 WXVL_AK00678SC0092 [0,2,0,0,0,0|2,0,0]=4 1308 B12R1.15 CC[C@H](C)NC(=O)c1cscn1 WXVL_AK00678SC0092 [0,2,0,0,0,0|2,0,0]=4 1309 B12R1.15 CC[C@H](C)NC(=O)c1nccs1 WXVL_AK00678SC0110 [0,2,0,0,0,0|1,1,0]=4 1310 B12R1.15 CC[C@H](C)NC(=O)c1nccs1 WXVL_AK00678SC0110 [0,2,0,0,0,0|1,1,0]=4 1311 B12R1.15 C[C@@H](CF)NC(=O)c1ccco1 WXVL_AK00558SC0049 [0,2,0,0,0,0|1,0,0]=3 1312 B12R1.15 C[C@@H](CF)NC(=O)c1ccco1 WXVL_AK00558SC0049 [0,2,0,0,0,0|1,0,0]=3 1313 B12R1.15 C[C@@H](CF)NC(=O)c1cccs1 WXVL_AK00558SC0051 [0,2,0,0,0,0|1,1,0]=4 1314 B12R1.15 C[C@@H](CF)NC(=O)c1cccs1 WXVL_AK00558SC0051 [0,2,0,0,0,0|1,1,0]=4 1315 B12R1.15 C[C@@H](CF)NC(=O)c1ccno1 WXVL_AK00558SC0080 [0,2,0,0,0,0|2,0,0]=4 1316 B12R1.15 C[C@@H](CF)NC(=O)c1ccno1 WXVL_AK00558SC0080 [0,2,0,0,0,0|2,0,0]=4 1317 B12R1.15 C[C@@H](CF)NC(=O)c1cnco1 WXVL_AK00558SC0018 [0,2,0,0,0,0|2,0,0]=4 1318 B12R1.15 C[C@@H](CF)NC(=O)c1cnco1 WXVL_AK00558SC0018 [0,2,0,0,0,0|2,0,0]=4 1319 B12R1.15 C[C@@H](CO)NC(=O)c1ccco1 WXVL_AK0109SC0049 [0,2,0,0,0,0|1,0,0]=3 1320 B12R1.15 C[C@@H](CO)NC(=O)c1ccco1 WXVL_AK0109SC0049 [0,2,0,0,0,0|1,0,0]=3 1321 B12R1.15 C[C@@H](CO)NC(=O)c1cccs1 WXVL_AK0109SC0051 [0,2,0,0,0,0|1,1,0]=4 1322 B12R1.15 C[C@@H](CO)NC(=O)c1cccs1 WXVL_AK0109SC0051 [0,2,0,0,0,0|1,1,0]=4 1323 B12R1.15 C[C@@H](CO)NC(=O)c1ccno1 WXVL_AK0109SC0080 [0,2,0,0,0,0|2,0,0]=4 1324 B12R1.15 C[C@@H](CO)NC(=O)c1ccno1 WXVL_AK0109SC0080 [0,2,0,0,0,0|2,0,0]=4 1325 B12R1.15 C[C@@H](CO)NC(=O)c1cnco1 WXVL_AK0109SC0018 [0,2,0,0,0,0|2,0,0]=4 1326 B12R1.15 C[C@@H](CO)NC(=O)c1cnco1 WXVL_AK0109SC0018 [0,2,0,0,0,0|2,0,0]=4 1327 B12R1.35 C#CCCNC(=O)c1ccco1 WXVL_AK3109SC0049 [0,2,0,0,0,0|0,0,1]=3 1328 B12R1.35 C#CCCNC(=O)c1ccco1 WXVL_AK3109SC0049 [0,2,0,0,0,0|0,0,1]=3 1329 B12R1.35 C#CCCNC(=O)c1cccs1 WXVL_AK3109SC0051 [0,2,0,0,0,0|0,1,1]=4 1330 B12R1.35 C#CCCNC(=O)c1cccs1 WXVL_AK3109SC0051 [0,2,0,0,0,0|0,1,1]=4 1331 B12R1.35 C#CCCNC(=O)c1ccno1 WXVL_AK3109SC0080 [0,2,0,0,0,0|1,0,1]=4 1332 B12R1.35 C#CCCNC(=O)c1ccno1 WXVL_AK3109SC0080 [0,2,0,0,0,0|1,0,1]=4 1333 B12R1.35 C#CCCNC(=O)c1cnco1 WXVL_AK3109SC0018 [0,2,0,0,0,0|1,0,1]=4 1334 B12R1.35 C#CCCNC(=O)c1cnco1 WXVL_AK3109SC0018 [0,2,0,0,0,0|1,0,1]=4 1335 B12R1.35 C=CCCNC(=O)c1ccco1 WXVL_AK00138SC0049 [0,2,0,0,0,0|0,0,1]=3 1336 B12R1.35 C=CCCNC(=O)c1ccco1 WXVL_AK00138SC0049 [0,2,0,0,0,0|0,0,1]=3 1337 B12R1.35 C=CCCNC(=O)c1cccs1 WXVL_AK00138SC0051 [0,2,0,0,0,0|0,1,1]=4 1338 B12R1.35 C=CCCNC(=O)c1cccs1 WXVL_AK00138SC0051 [0,2,0,0,0,0|0,1,1]=4 1339 B12R1.35 C=CCCNC(=O)c1ccno1 WXVL_AK00138SC0080 [0,2,0,0,0,0|1,0,1]=4 1340 B12R1.35 C=CCCNC(=O)c1ccno1 WXVL_AK00138SC0080 [0,2,0,0,0,0|1,0,1]=4 1341 B12R1.35 C=CCCNC(=O)c1cnco1 WXVL_AK00138SC0018 [0,2,0,0,0,0|1,0,1]=4 1342 B12R1.35 C=CCCNC(=O)c1cnco1 WXVL_AK00138SC0018 [0,2,0,0,0,0|1,0,1]=4 1343 B12R1.35 CCCCNC(=O)c1c[nH]cn1 WXVL_AK00588SC0074 [0,2,0,0,0,0|2,0,0]=4 1344 B12R1.35 CCCCNC(=O)c1c[nH]cn1 WXVL_AK00588SC0074 [0,2,0,0,0,0|2,0,0]=4 1345 B12R1.35 CCCCNC(=O)c1cc[nH]c1 WXVL_AK00588SC0013 [0,2,0,0,0,0|2,0,0]=4 1346 B12R1.35 CCCCNC(=O)c1cc[nH]c1 WXVL_AK00588SC0013 [0,2,0,0,0,0|2,0,0]=4 1347 B12R1.35 CCCCNC(=O)c1cc[nH]n1 WXVL_AK00588SC0003 [0,2,0,0,0,0|2,0,0]=4 1348 B12R1.35 CCCCNC(=O)c1cc[nH]n1 WXVL_AK00588SC0003 [0,2,0,0,0,0|2,0,0]=4 1349 B12R1.35 CCCCNC(=O)c1ccco1 WXVL_AK00588SC0049 [0,2,0,0,0,0|0,0,0]=2 1350 B12R1.35 CCCCNC(=O)c1ccco1 WXVL_AK00588SC0049 [0,2,0,0,0,0|0,0,0]=2 1351 B12R1.35 CCCCNC(=O)c1cccs1 WXVL_AK00588SC0051 [0,2,0,0,0,0|0,1,0]=3 1352 B12R1.35 CCCCNC(=O)c1cccs1 WXVL_AK00588SC0051 [0,2,0,0,0,0|0,1,0]=3 1353 B12R1.35 CCCCNC(=O)c1ccno1 WXVL_AK00588SC0080 [0,2,0,0,0,0|1,0,0]=3 1354 B12R1.35 CCCCNC(=O)c1ccno1 WXVL_AK00588SC0080 [0,2,0,0,0,0|1,0,0]=3 1355 B12R1.35 CCCCNC(=O)c1ccns1 WXVL_AK00588SC0027 [0,2,0,0,0,0|1,1,0]=4 1356 B12R1.35 CCCCNC(=O)c1ccns1 WXVL_AK00588SC0027 [0,2,0,0,0,0|1,1,0]=4 1357 B12R1.35 CCCCNC(=O)c1ccoc1 WXVL_AK00588SC0050 [0,2,0,0,0,0|2,0,0]=4 1358 B12R1.35 CCCCNC(=O)c1ccoc1 WXVL_AK00588SC0050 [0,2,0,0,0,0|2,0,0]=4 1359 B12R1.35 CCCCNC(=O)c1ccon1 WXVL_AK00588SC0116 [0,2,0,0,0,0|2,0,0]=4 1360 B12R1.35 CCCCNC(=O)c1ccon1 WXVL_AK00588SC0116 [0,2,0,0,0,0|2,0,0]=4 1361 B12R1.35 CCCCNC(=O)c1ccsc1 WXVL_AK00588SC0054 [0,2,0,0,0,0|2,0,0]=4 1362 B12R1.35 CCCCNC(=O)c1ccsc1 WXVL_AK00588SC0054 [0,2,0,0,0,0|2,0,0]=4 1363 B12R1.35 CCCCNC(=O)c1ccsn1 WXVL_AK00588SC0764 [0,2,0,0,0,0|2,0,0]=4 1364 B12R1.35 CCCCNC(=O)c1ccsn1 WXVL_AK00588SC0764 [0,2,0,0,0,0|2,0,0]=4 1365 B12R1.35 CCCCNC(=O)c1cnc[nH]1 WXVL_AK00588SC0247 [0,2,0,0,0,0|2,0,0]=4 1366 B12R1.35 CCCCNC(=O)c1cnc[nH]1 WXVL_AK00588SC0247 [0,2,0,0,0,0|2,0,0]=4 1367 B12R1.35 CCCCNC(=O)c1cnco1 WXVL_AK00588SC0018 [0,2,0,0,0,0|1,0,0]=3 1368 B12R1.35 CCCCNC(=O)c1cnco1 WXVL_AK00588SC0018 [0,2,0,0,0,0|1,0,0]=3 1369 B12R1.35 CCCCNC(=O)c1cncs1 WXVL_AK00588SC0113 [0,2,0,0,0,0|1,1,0]=4 1370 B12R1.35 CCCCNC(=O)c1cncs1 WXVL_AK00588SC0113 [0,2,0,0,0,0|1,1,0]=4 1371 B12R1.35 CCCCNC(=O)c1cocn1 WXVL_AK00588SC0118 [0,2,0,0,0,0|2,0,0]=4 1372 B12R1.35 CCCCNC(=O)c1cocn1 WXVL_AK00588SC0118 [0,2,0,0,0,0|2,0,0]=4 1373 B12R1.35 CCCCNC(=O)c1cscn1 WXVL_AK00588SC0092 [0,2,0,0,0,0|2,0,0]=4 1374 B12R1.35 CCCCNC(=O)c1cscn1 WXVL_AK00588SC0092 [0,2,0,0,0,0|2,0,0]=4 1375 B12R1.35 CCCCNC(=O)c1nccs1 WXVL_AK00588SC0110 [0,2,0,0,0,0|1,1,0]=4 1376 B12R1.35 CCCCNC(=O)c1nccs1 WXVL_AK00588SC0110 [0,2,0,0,0,0|1,1,0]=4 1377 B12R1.35 CSCCNC(=O)c1c[nH]cn1 WXVL_AK00440SC0074 [0,2,0,0,0,0|2,0,0]=4 1378 B12R1.35 CSCCNC(=O)c1c[nH]cn1 WXVL_AK00440SC0074 [0,2,0,0,0,0|2,0,0]=4 1379 B12R1.35 CSCCNC(=O)c1cc[nH]c1 WXVL_AK00440SC0013 [0,2,0,0,0,0|2,0,0]=4 1380 B12R1.35 CSCCNC(=O)c1cc[nH]c1 WXVL_AK00440SC0013 [0,2,0,0,0,0|2,0,0]=4 1381 B12R1.35 CSCCNC(=O)c1cc[nH]n1 WXVL_AK00440SC0003 [0,2,0,0,0,0|2,0,0]=4 1382 B12R1.35 CSCCNC(=O)c1cc[nH]n1 WXVL_AK00440SC0003 [0,2,0,0,0,0|2,0,0]=4 1383 B12R1.35 CSCCNC(=O)c1ccco1 WXVL_AK00440SC0049 [0,2,0,0,0,0|0,0,0]=2 1384 B12R1.35 CSCCNC(=O)c1ccco1 WXVL_AK00440SC0049 [0,2,0,0,0,0|0,0,0]=2 1385 B12R1.35 CSCCNC(=O)c1cccs1 WXVL_AK00440SC0051 [0,2,0,0,0,0|0,1,0]=3 1386 B12R1.35 CSCCNC(=O)c1cccs1 WXVL_AK00440SC0051 [0,2,0,0,0,0|0,1,0]=3 1387 B12R1.35 CSCCNC(=O)c1ccno1 WXVL_AK00440SC0080 [0,2,0,0,0,0|1,0,0]=3 1388 B12R1.35 CSCCNC(=O)c1ccno1 WXVL_AK00440SC0080 [0,2,0,0,0,0|1,0,0]=3 1389 B12R1.35 CSCCNC(=O)c1ccns1 WXVL_AK00440SC0027 [0,2,0,0,0,0|1,1,0]=4 1390 B12R1.35 CSCCNC(=O)c1ccns1 WXVL_AK00440SC0027 [0,2,0,0,0,0|1,1,0]=4 1391 B12R1.35 CSCCNC(=O)c1ccoc1 WXVL_AK00440SC0050 [0,2,0,0,0,0|2,0,0]=4 1392 B12R1.35 CSCCNC(=O)c1ccoc1 WXVL_AK00440SC0050 [0,2,0,0,0,0|2,0,0]=4 1393 B12R1.35 CSCCNC(=O)c1ccon1 WXVL_AK00440SC0116 [0,2,0,0,0,0|2,0,0]=4 1394 B12R1.35 CSCCNC(=O)c1ccon1 WXVL_AK00440SC0116 [0,2,0,0,0,0|2,0,0]=4 1395 B12R1.35 CSCCNC(=O)c1ccsc1 WXVL_AK00440SC0054 [0,2,0,0,0,0|2,0,0]=4 1396 B12R1.35 CSCCNC(=O)c1ccsc1 WXVL_AK00440SC0054 [0,2,0,0,0,0|2,0,0]=4 1397 B12R1.35 CSCCNC(=O)c1ccsn1 WXVL_AK00440SC0764 [0,2,0,0,0,0|2,0,0]=4 1398 B12R1.35 CSCCNC(=O)c1ccsn1 WXVL_AK00440SC0764 [0,2,0,0,0,0|2,0,0]=4 1399 B12R1.35 CSCCNC(=O)c1cnc[nH]1 WXVL_AK00440SC0247 [0,2,0,0,0,0|2,0,0]=4 1400 B12R1.35 CSCCNC(=O)c1cnc[nH]1 WXVL_AK00440SC0247 [0,2,0,0,0,0|2,0,0]=4 1401 B12R1.35 CSCCNC(=O)c1cnco1 WXVL_AK00440SC0018 [0,2,0,0,0,0|1,0,0]=3 1402 B12R1.35 CSCCNC(=O)c1cnco1 WXVL_AK00440SC0018 [0,2,0,0,0,0|1,0,0]=3 1403 B12R1.35 CSCCNC(=O)c1cncs1 WXVL_AK00440SC0113 [0,2,0,0,0,0|1,1,0]=4 1404 B12R1.35 CSCCNC(=O)c1cncs1 WXVL_AK00440SC0113 [0,2,0,0,0,0|1,1,0]=4 1405 B12R1.35 CSCCNC(=O)c1cocn1 WXVL_AK00440SC0118 [0,2,0,0,0,0|2,0,0]=4 1406 B12R1.35 CSCCNC(=O)c1cocn1 WXVL_AK00440SC0118 [0,2,0,0,0,0|2,0,0]=4 1407 B12R1.35 CSCCNC(=O)c1cscn1 WXVL_AK00440SC0092 [0,2,0,0,0,0|2,0,0]=4 1408 B12R1.35 CSCCNC(=O)c1cscn1 WXVL_AK00440SC0092 [0,2,0,0,0,0|2,0,0]=4 1409 B12R1.35 CSCCNC(=O)c1nccs1 WXVL_AK00440SC0110 [0,2,0,0,0,0|1,1,0]=4 1410 B12R1.35 CSCCNC(=O)c1nccs1 WXVL_AK00440SC0110 [0,2,0,0,0,0|1,1,0]=4 1411 B12R1.35 N#CCCNC(=O)c1ccco1 WXVL_AK0087SC0049 [0,2,0,0,0,0|0,0,1]=3 1412 B12R1.35 N#CCCNC(=O)c1ccco1 WXVL_AK0087SC0049 [0,2,0,0,0,0|0,0,1]=3 1413 B12R1.35 N#CCCNC(=O)c1cccs1 WXVL_AK0087SC0051 [0,2,0,0,0,0|0,1,1]=4 1414 B12R1.35 N#CCCNC(=O)c1cccs1 WXVL_AK0087SC0051 [0,2,0,0,0,0|0,1,1]=4 1415 B12R1.35 N#CCCNC(=O)c1ccno1 WXVL_AK0087SC0080 [0,2,0,0,0,0|1,0,1]=4 1416 B12R1.35 N#CCCNC(=O)c1ccno1 WXVL_AK0087SC0080 [0,2,0,0,0,0|1,0,1]=4 1417 B12R1.35 N#CCCNC(=O)c1cnco1 WXVL_AK0087SC0018 [0,2,0,0,0,0|1,0,1]=4 1418 B12R1.35 N#CCCNC(=O)c1cnco1 WXVL_AK0087SC0018 [0,2,0,0,0,0|1,0,1]=4 1419 B12R1.35 O=C(NCCCO)c1c[nH]cn1 WXVL_AK0073SC0074 [0,2,0,0,0,0|2,0,0]=4 1420 B12R1.35 O=C(NCCCO)c1c[nH]cn1 WXVL_AK0073SC0074 [0,2,0,0,0,0|2,0,0]=4 1421 B12R1.35 O=C(NCCCO)c1cc[nH]c1 WXVL_AK0073SC0013 [0,2,0,0,0,0|2,0,0]=4 1422 B12R1.35 O=C(NCCCO)c1cc[nH]c1 WXVL_AK0073SC0013 [0,2,0,0,0,0|2,0,0]=4 1423 B12R1.35 O=C(NCCCO)c1cc[nH]n1 WXVL_AK0073SC0003 [0,2,0,0,0,0|2,0,0]=4 1424 B12R1.35 O=C(NCCCO)c1cc[nH]n1 WXVL_AK0073SC0003 [0,2,0,0,0,0|2,0,0]=4 1425 B12R1.35 O=C(NCCCO)c1ccco1 WXVL_AK0073SC0049 [0,2,0,0,0,0|0,0,0]=2 1426 B12R1.35 O=C(NCCCO)c1ccco1 WXVL_AK0073SC0049 [0,2,0,0,0,0|0,0,0]=2 1427 B12R1.35 O=C(NCCCO)c1cccs1 WXVL_AK0073SC0051 [0,2,0,0,0,0|0,1,0]=3 1428 B12R1.35 O=C(NCCCO)c1cccs1 WXVL_AK0073SC0051 [0,2,0,0,0,0|0,1,0]=3 1429 B12R1.35 O=C(NCCCO)c1ccno1 WXVL_AK0073SC0080 [0,2,0,0,0,0|1,0,0]=3 1430 B12R1.35 O=C(NCCCO)c1ccno1 WXVL_AK0073SC0080 [0,2,0,0,0,0|1,0,0]=3 1431 B12R1.35 O=C(NCCCO)c1ccns1 WXVL_AK0073SC0027 [0,2,0,0,0,0|1,1,0]=4 1432 B12R1.35 O=C(NCCCO)c1ccns1 WXVL_AK0073SC0027 [0,2,0,0,0,0|1,1,0]=4 1433 B12R1.35 O=C(NCCCO)c1ccoc1 WXVL_AK0073SC0050 [0,2,0,0,0,0|2,0,0]=4 1434 B12R1.35 O=C(NCCCO)c1ccoc1 WXVL_AK0073SC0050 [0,2,0,0,0,0|2,0,0]=4 1435 B12R1.35 O=C(NCCCO)c1ccon1 WXVL_AK0073SC0116 [0,2,0,0,0,0|2,0,0]=4 1436 B12R1.35 O=C(NCCCO)c1ccon1 WXVL_AK0073SC0116 [0,2,0,0,0,0|2,0,0]=4 1437 B12R1.35 O=C(NCCCO)c1ccsc1 WXVL_AK0073SC0054 [0,2,0,0,0,0|2,0,0]=4 1438 B12R1.35 O=C(NCCCO)c1ccsc1 WXVL_AK0073SC0054 [0,2,0,0,0,0|2,0,0]=4 1439 B12R1.35 O=C(NCCCO)c1ccsn1 WXVL_AK0073SC0764 [0,2,0,0,0,0|2,0,0]=4 1440 B12R1.35 O=C(NCCCO)c1ccsn1 WXVL_AK0073SC0764 [0,2,0,0,0,0|2,0,0]=4 1441 B12R1.35 O=C(NCCCO)c1cnc[nH]1 WXVL_AK0073SC0247 [0,2,0,0,0,0|2,0,0]=4 1442 B12R1.35 O=C(NCCCO)c1cnc[nH]1 WXVL_AK0073SC0247 [0,2,0,0,0,0|2,0,0]=4 1443 B12R1.35 O=C(NCCCO)c1cnco1 WXVL_AK0073SC0018 [0,2,0,0,0,0|1,0,0]=3 1444 B12R1.35 O=C(NCCCO)c1cnco1 WXVL_AK0073SC0018 [0,2,0,0,0,0|1,0,0]=3 1445 B12R1.35 O=C(NCCCO)c1cncs1 WXVL_AK0073SC0113 [0,2,0,0,0,0|1,1,0]=4 1446 B12R1.35 O=C(NCCCO)c1cncs1 WXVL_AK0073SC0113 [0,2,0,0,0,0|1,1,0]=4 1447 B12R1.35 O=C(NCCCO)c1cocn1 WXVL_AK0073SC0118 [0,2,0,0,0,0|2,0,0]=4 1448 B12R1.35 O=C(NCCCO)c1cocn1 WXVL_AK0073SC0118 [0,2,0,0,0,0|2,0,0]=4 1449 B12R1.35 O=C(NCCCO)c1cscn1 WXVL_AK0073SC0092 [0,2,0,0,0,0|2,0,0]=4 1450 B12R1.35 O=C(NCCCO)c1cscn1 WXVL_AK0073SC0092 [0,2,0,0,0,0|2,0,0]=4 1451 B12R1.35 O=C(NCCCO)c1nccs1 WXVL_AK0073SC0110 [0,2,0,0,0,0|1,1,0]=4 1452 B12R1.35 O=C(NCCCO)c1nccs1 WXVL_AK0073SC0110 [0,2,0,0,0,0|1,1,0]=4 1453 B12R1.54 C=C(C)CNC(=O)c1ccco1 WXVL_AK0761SC0049 [0,2,0,0,0,0|0,0,1]=3 1454 B12R1.54 C=C(C)CNC(=O)c1ccco1 WXVL_AK0761SC0049 [0,2,0,0,0,0|0,0,1]=3 1455 B12R1.54 C=C(C)CNC(=O)c1cccs1 WXVL_AK0761SC0051 [0,2,0,0,0,0|0,1,1]=4 1456 B12R1.54 C=C(C)CNC(=O)c1cccs1 WXVL_AK0761SC0051 [0,2,0,0,0,0|0,1,1]=4 1457 B12R1.54 C=C(C)CNC(=O)c1ccno1 WXVL_AK0761SC0080 [0,2,0,0,0,0|1,0,1]=4 1458 B12R1.54 C=C(C)CNC(=O)c1ccno1 WXVL_AK0761SC0080 [0,2,0,0,0,0|1,0,1]=4 1459 B12R1.54 C=C(C)CNC(=O)c1cnco1 WXVL_AK0761SC0018 [0,2,0,0,0,0|1,0,1]=4 1460 B12R1.54 C=C(C)CNC(=O)c1cnco1 WXVL_AK0761SC0018 [0,2,0,0,0,0|1,0,1]=4 1461 B12R1.54 CC(C)CNC(=O)c1c[nH]cn1 WXVL_AK00544SC0074 [0,2,0,0,0,0|2,0,0]=4 1462 B12R1.54 CC(C)CNC(=O)c1c[nH]cn1 WXVL_AK00544SC0074 [0,2,0,0,0,0|2,0,0]=4 1463 B12R1.54 CC(C)CNC(=O)c1cc[nH]c1 WXVL_AK00544SC0013 [0,2,0,0,0,0|2,0,0]=4 1464 B12R1.54 CC(C)CNC(=O)c1cc[nH]c1 WXVL_AK00544SC0013 [0,2,0,0,0,0|2,0,0]=4 1465 B12R1.54 CC(C)CNC(=O)c1cc[nH]n1 WXVL_AK00544SC0003 [0,2,0,0,0,0|2,0,0]=4 1466 B12R1.54 CC(C)CNC(=O)c1cc[nH]n1 WXVL_AK00544SC0003 [0,2,0,0,0,0|2,0,0]=4 1467 B12R1.54 CC(C)CNC(=O)c1ccco1 WXVL_AK00544SC0049 [0,2,0,0,0,0|0,0,0]=2 1468 B12R1.54 CC(C)CNC(=O)c1ccco1 WXVL_AK00544SC0049 [0,2,0,0,0,0|0,0,0]=2 1469 B12R1.54 CC(C)CNC(=O)c1cccs1 WXVL_AK00544SC0051 [0,2,0,0,0,0|0,1,0]=3 1470 B12R1.54 CC(C)CNC(=O)c1cccs1 WXVL_AK00544SC0051 [0,2,0,0,0,0|0,1,0]=3 1471 B12R1.54 CC(C)CNC(=O)c1ccno1 WXVL_AK00544SC0080 [0,2,0,0,0,0|1,0,0]=3 1472 B12R1.54 CC(C)CNC(=O)c1ccno1 WXVL_AK00544SC0080 [0,2,0,0,0,0|1,0,0]=3 1473 B12R1.54 CC(C)CNC(=O)c1ccns1 WXVL_AK00544SC0027 [0,2,0,0,0,0|1,1,0]=4 1474 B12R1.54 CC(C)CNC(=O)c1ccns1 WXVL_AK00544SC0027 [0,2,0,0,0,0|1,1,0]=4 1475 B12R1.54 CC(C)CNC(=O)c1ccoc1 WXVL_AK00544SC0050 [0,2,0,0,0,0|2,0,0]=4 1476 B12R1.54 CC(C)CNC(=O)c1ccoc1 WXVL_AK00544SC0050 [0,2,0,0,0,0|2,0,0]=4 1477 B12R1.54 CC(C)CNC(=O)c1ccon1 WXVL_AK00544SC0116 [0,2,0,0,0,0|2,0,0]=4 1478 B12R1.54 CC(C)CNC(=O)c1ccon1 WXVL_AK00544SC0116 [0,2,0,0,0,0|2,0,0]=4 1479 B12R1.54 CC(C)CNC(=O)c1ccsc1 WXVL_AK00544SC0054 [0,2,0,0,0,0|2,0,0]=4 1480 B12R1.54 CC(C)CNC(=O)c1ccsc1 WXVL_AK00544SC0054 [0,2,0,0,0,0|2,0,0]=4 1481 B12R1.54 CC(C)CNC(=O)c1ccsn1 WXVL_AK00544SC0764 [0,2,0,0,0,0|2,0,0]=4 1482 B12R1.54 CC(C)CNC(=O)c1ccsn1 WXVL_AK00544SC0764 [0,2,0,0,0,0|2,0,0]=4 1483 B12R1.54 CC(C)CNC(=O)c1cnc[nH]1 WXVL_AK00544SC0247 [0,2,0,0,0,0|2,0,0]=4 1484 B12R1.54 CC(C)CNC(=O)c1cnc[nH]1 WXVL_AK00544SC0247 [0,2,0,0,0,0|2,0,0]=4 1485 B12R1.54 CC(C)CNC(=O)c1cnco1 WXVL_AK00544SC0018 [0,2,0,0,0,0|1,0,0]=3 1486 B12R1.54 CC(C)CNC(=O)c1cnco1 WXVL_AK00544SC0018 [0,2,0,0,0,0|1,0,0]=3 1487 B12R1.54 CC(C)CNC(=O)c1cncs1 WXVL_AK00544SC0113 [0,2,0,0,0,0|1,1,0]=4 1488 B12R1.54 CC(C)CNC(=O)c1cncs1 WXVL_AK00544SC0113 [0,2,0,0,0,0|1,1,0]=4 1489 B12R1.54 CC(C)CNC(=O)c1cocn1 WXVL_AK00544SC0118 [0,2,0,0,0,0|2,0,0]=4 1490 B12R1.54 CC(C)CNC(=O)c1cocn1 WXVL_AK00544SC0118 [0,2,0,0,0,0|2,0,0]=4 1491 B12R1.54 CC(C)CNC(=O)c1cscn1 WXVL_AK00544SC0092 [0,2,0,0,0,0|2,0,0]=4 1492 B12R1.54 CC(C)CNC(=O)c1cscn1 WXVL_AK00544SC0092 [0,2,0,0,0,0|2,0,0]=4 1493 B12R1.54 CC(C)CNC(=O)c1nccs1 WXVL_AK00544SC0110 [0,2,0,0,0,0|1,1,0]=4 1494 B12R1.54 CC(C)CNC(=O)c1nccs1 WXVL_AK00544SC0110 [0,2,0,0,0,0|1,1,0]=4 1495 B12R1.54 CC(O)CNC(=O)c1c[nH]cn1 WXVL_AK0052SC0074 [0,2,0,0,0,0|2,0,0]=4 1496 B12R1.54 CC(O)CNC(=O)c1c[nH]cn1 WXVL_AK0052SC0074 [0,2,0,0,0,0|2,0,0]=4 1497 B12R1.54 CC(O)CNC(=O)c1cc[nH]c1 WXVL_AK0052SC0013 [0,2,0,0,0,0|2,0,0]=4 1498 B12R1.54 CC(O)CNC(=O)c1cc[nH]c1 WXVL_AK0052SC0013 [0,2,0,0,0,0|2,0,0]=4 1499 B12R1.54 CC(O)CNC(=O)c1cc[nH]n1 WXVL_AK0052SC0003 [0,2,0,0,0,0|2,0,0]=4 1500 B12R1.54 CC(O)CNC(=O)c1cc[nH]n1 WXVL_AK0052SC0003 [0,2,0,0,0,0|2,0,0]=4 1501 B12R1.54 CC(O)CNC(=O)c1ccco1 WXVL_AK0052SC0049 [0,2,0,0,0,0|0,0,0]=2 1502 B12R1.54 CC(O)CNC(=O)c1ccco1 WXVL_AK0052SC0049 [0,2,0,0,0,0|0,0,0]=2 1503 B12R1.54 CC(O)CNC(=O)c1cccs1 WXVL_AK0052SC0051 [0,2,0,0,0,0|0,1,0]=3 1504 B12R1.54 CC(O)CNC(=O)c1cccs1 WXVL_AK0052SC0051 [0,2,0,0,0,0|0,1,0]=3 1505 B12R1.54 CC(O)CNC(=O)c1ccno1 WXVL_AK0052SC0080 [0,2,0,0,0,0|1,0,0]=3 1506 B12R1.54 CC(O)CNC(=O)c1ccno1 WXVL_AK0052SC0080 [0,2,0,0,0,0|1,0,0]=3 1507 B12R1.54 CC(O)CNC(=O)c1ccns1 WXVL_AK0052SC0027 [0,2,0,0,0,0|1,1,0]=4 1508 B12R1.54 CC(O)CNC(=O)c1ccns1 WXVL_AK0052SC0027 [0,2,0,0,0,0|1,1,0]=4 1509 B12R1.54 CC(O)CNC(=O)c1ccoc1 WXVL_AK0052SC0050 [0,2,0,0,0,0|2,0,0]=4 1510 B12R1.54 CC(O)CNC(=O)c1ccoc1 WXVL_AK0052SC0050 [0,2,0,0,0,0|2,0,0]=4 1511 B12R1.54 CC(O)CNC(=O)c1ccon1 WXVL_AK0052SC0116 [0,2,0,0,0,0|2,0,0]=4 1512 B12R1.54 CC(O)CNC(=O)c1ccon1 WXVL_AK0052SC0116 [0,2,0,0,0,0|2,0,0]=4 1513 B12R1.54 CC(O)CNC(=O)c1ccsc1 WXVL_AK0052SC0054 [0,2,0,0,0,0|2,0,0]=4 1514 B12R1.54 CC(O)CNC(=O)c1ccsc1 WXVL_AK0052SC0054 [0,2,0,0,0,0|2,0,0]=4 1515 B12R1.54 CC(O)CNC(=O)c1ccsn1 WXVL_AK0052SC0764 [0,2,0,0,0,0|2,0,0]=4 1516 B12R1.54 CC(O)CNC(=O)c1ccsn1 WXVL_AK0052SC0764 [0,2,0,0,0,0|2,0,0]=4 1517 B12R1.54 CC(O)CNC(=O)c1cnc[nH]1 WXVL_AK0052SC0247 [0,2,0,0,0,0|2,0,0]=4 1518 B12R1.54 CC(O)CNC(=O)c1cnc[nH]1 WXVL_AK0052SC0247 [0,2,0,0,0,0|2,0,0]=4 1519 B12R1.54 CC(O)CNC(=O)c1cnco1 WXVL_AK0052SC0018 [0,2,0,0,0,0|1,0,0]=3 1520 B12R1.54 CC(O)CNC(=O)c1cnco1 WXVL_AK0052SC0018 [0,2,0,0,0,0|1,0,0]=3 1521 B12R1.54 CC(O)CNC(=O)c1cncs1 WXVL_AK0052SC0113 [0,2,0,0,0,0|1,1,0]=4 1522 B12R1.54 CC(O)CNC(=O)c1cncs1 WXVL_AK0052SC0113 [0,2,0,0,0,0|1,1,0]=4 1523 B12R1.54 CC(O)CNC(=O)c1cocn1 WXVL_AK0052SC0118 [0,2,0,0,0,0|2,0,0]=4 1524 B12R1.54 CC(O)CNC(=O)c1cocn1 WXVL_AK0052SC0118 [0,2,0,0,0,0|2,0,0]=4 1525 B12R1.54 CC(O)CNC(=O)c1cscn1 WXVL_AK0052SC0092 [0,2,0,0,0,0|2,0,0]=4 1526 B12R1.54 CC(O)CNC(=O)c1cscn1 WXVL_AK0052SC0092 [0,2,0,0,0,0|2,0,0]=4 1527 B12R1.54 CC(O)CNC(=O)c1nccs1 WXVL_AK0052SC0110 [0,2,0,0,0,0|1,1,0]=4 1528 B12R1.54 CC(O)CNC(=O)c1nccs1 WXVL_AK0052SC0110 [0,2,0,0,0,0|1,1,0]=4 1529 B12R1.54 C[C@H](O)CNC(=O)c1c[nH]cn1 WXVL_AK0113SC0074 [0,2,0,0,0,0|2,0,0]=4 1530 B12R1.54 C[C@H](O)CNC(=O)c1c[nH]cn1 WXVL_AK0113SC0074 [0,2,0,0,0,0|2,0,0]=4 1531 B12R1.54 C[C@H](O)CNC(=O)c1cc[nH]c1 WXVL_AK0113SC0013 [0,2,0,0,0,0|2,0,0]=4 1532 B12R1.54 C[C@H](O)CNC(=O)c1cc[nH]c1 WXVL_AK0113SC0013 [0,2,0,0,0,0|2,0,0]=4 1533 B12R1.54 C[C@H](O)CNC(=O)c1cc[nH]n1 WXVL_AK0113SC0003 [0,2,0,0,0,0|2,0,0]=4 1534 B12R1.54 C[C@H](O)CNC(=O)c1cc[nH]n1 WXVL_AK0113SC0003 [0,2,0,0,0,0|2,0,0]=4 1535 B12R1.54 C[C@H](O)CNC(=O)c1ccco1 WXVL_AK0113SC0049 [0,2,0,0,0,0|0,0,0]=2 1536 B12R1.54 C[C@H](O)CNC(=O)c1ccco1 WXVL_AK0113SC0049 [0,2,0,0,0,0|0,0,0]=2 1537 B12R1.54 C[C@H](O)CNC(=O)c1cccs1 WXVL_AK0113SC0051 [0,2,0,0,0,0|0,1,0]=3 1538 B12R1.54 C[C@H](O)CNC(=O)c1cccs1 WXVL_AK0113SC0051 [0,2,0,0,0,0|0,1,0]=3 1539 B12R1.54 C[C@H](O)CNC(=O)c1ccno1 WXVL_AK0113SC0080 [0,2,0,0,0,0|1,0,0]=3 1540 B12R1.54 C[C@H](O)CNC(=O)c1ccno1 WXVL_AK0113SC0080 [0,2,0,0,0,0|1,0,0]=3 1541 B12R1.54 C[C@H](O)CNC(=O)c1ccns1 WXVL_AK0113SC0027 [0,2,0,0,0,0|1,1,0]=4 1542 B12R1.54 C[C@H](O)CNC(=O)c1ccns1 WXVL_AK0113SC0027 [0,2,0,0,0,0|1,1,0]=4 1543 B12R1.54 C[C@H](O)CNC(=O)c1ccoc1 WXVL_AK0113SC0050 [0,2,0,0,0,0|2,0,0]=4 1544 B12R1.54 C[C@H](O)CNC(=O)c1ccoc1 WXVL_AK0113SC0050 [0,2,0,0,0,0|2,0,0]=4 1545 B12R1.54 C[C@H](O)CNC(=O)c1ccon1 WXVL_AK0113SC0116 [0,2,0,0,0,0|2,0,0]=4 1546 B12R1.54 C[C@H](O)CNC(=O)c1ccon1 WXVL_AK0113SC0116 [0,2,0,0,0,0|2,0,0]=4 1547 B12R1.54 C[C@H](O)CNC(=O)c1ccsc1 WXVL_AK0113SC0054 [0,2,0,0,0,0|2,0,0]=4 1548 B12R1.54 C[C@H](O)CNC(=O)c1ccsc1 WXVL_AK0113SC0054 [0,2,0,0,0,0|2,0,0]=4 1549 B12R1.54 C[C@H](O)CNC(=O)c1ccsn1 WXVL_AK0113SC0764 [0,2,0,0,0,0|2,0,0]=4 1550 B12R1.54 C[C@H](O)CNC(=O)c1ccsn1 WXVL_AK0113SC0764 [0,2,0,0,0,0|2,0,0]=4 1551 B12R1.54 C[C@H](O)CNC(=O)c1cnc[nH]1 WXVL_AK0113SC0247 [0,2,0,0,0,0|2,0,0]=4 1552 B12R1.54 C[C@H](O)CNC(=O)c1cnc[nH]1 WXVL_AK0113SC0247 [0,2,0,0,0,0|2,0,0]=4 1553 B12R1.54 C[C@H](O)CNC(=O)c1cnco1 WXVL_AK0113SC0018 [0,2,0,0,0,0|1,0,0]=3 1554 B12R1.54 C[C@H](O)CNC(=O)c1cnco1 WXVL_AK0113SC0018 [0,2,0,0,0,0|1,0,0]=3 1555 B12R1.54 C[C@H](O)CNC(=O)c1cncs1 WXVL_AK0113SC0113 [0,2,0,0,0,0|1,1,0]=4 1556 B12R1.54 C[C@H](O)CNC(=O)c1cncs1 WXVL_AK0113SC0113 [0,2,0,0,0,0|1,1,0]=4 1557 B12R1.54 C[C@H](O)CNC(=O)c1cocn1 WXVL_AK0113SC0118 [0,2,0,0,0,0|2,0,0]=4 1558 B12R1.54 C[C@H](O)CNC(=O)c1cocn1 WXVL_AK0113SC0118 [0,2,0,0,0,0|2,0,0]=4 1559 B12R1.54 C[C@H](O)CNC(=O)c1cscn1 WXVL_AK0113SC0092 [0,2,0,0,0,0|2,0,0]=4 1560 B12R1.54 C[C@H](O)CNC(=O)c1cscn1 WXVL_AK0113SC0092 [0,2,0,0,0,0|2,0,0]=4 1561 B12R1.54 C[C@H](O)CNC(=O)c1nccs1 WXVL_AK0113SC0110 [0,2,0,0,0,0|1,1,0]=4 1562 B12R1.54 C[C@H](O)CNC(=O)c1nccs1 WXVL_AK0113SC0110 [0,2,0,0,0,0|1,1,0]=4 1563 B12R1.54 NC(=O)CNC(=O)c1ccco1 WXVL_AK0147SC0049 [0,2,0,0,0,0|1,0,1]=4 1564 B12R1.54 NC(=O)CNC(=O)c1ccco1 WXVL_AK0147SC0049 [0,2,0,0,0,0|1,0,1]=4 1565 B12R1.54 O=C(NCC(F)F)c1ccco1 WXVL_AK0136SC0049 [0,2,0,0,0,0|1,0,0]=3 1566 B12R1.54 O=C(NCC(F)F)c1ccco1 WXVL_AK0136SC0049 [0,2,0,0,0,0|1,0,0]=3 1567 B12R1.54 O=C(NCC(F)F)c1cccs1 WXVL_AK0136SC0051 [0,2,0,0,0,0|1,1,0]=4 1568 B12R1.54 O=C(NCC(F)F)c1cccs1 WXVL_AK0136SC0051 [0,2,0,0,0,0|1,1,0]=4 1569 B12R1.54 O=C(NCC(F)F)c1ccno1 WXVL_AK0136SC0080 [0,2,0,0,0,0|2,0,0]=4 1570 B12R1.54 O=C(NCC(F)F)c1ccno1 WXVL_AK0136SC0080 [0,2,0,0,0,0|2,0,0]=4 1571 B12R1.54 O=C(NCC(F)F)c1cnco1 WXVL_AK0136SC0018 [0,2,0,0,0,0|2,0,0]=4 1572 B12R1.54 O=C(NCC(F)F)c1cnco1 WXVL_AK0136SC0018 [0,2,0,0,0,0|2,0,0]=4 1573 B12R1.99 CCCNS(=O)(=O)c1cccs1 WXVL_AK00504HU0005 [0,2,0,0,0,0|1,1,0]=4 1574 B12R1.99 CCCNS(=O)(=O)c1cccs1 WXVL_AK00504HU0005 [0,2,0,0,0,0|1,1,0]=4 1575 B12R1.460 C=CCNC(=O)c1occc1Br WXVL_AK00561SC0241 [0,2,0,0,0,0|0,0,2]=4 1576 B12R1.460 C=CCNC(=O)c1occc1Br WXVL_AK00561SC0241 [0,2,0,0,0,0|0,0,2]=4 1577 B12R1.460 C=CCNC(=O)c1occc1C WXVL_AK00561SC0230 [0,2,0,0,0,0|0,0,2]=4 1578 B12R1.460 C=CCNC(=O)c1occc1C WXVL_AK00561SC0230 [0,2,0,0,0,0|0,0,2]=4 1579 B12R1.460 CCCNC(=O)c1[nH]ccc1C WXVL_AK00504SC1315 [0,2,0,0,0,0|1,0,0]=3 1580 B12R1.460 CCCNC(=O)c1[nH]ccc1C WXVL_AK00504SC1315 [0,2,0,0,0,0|1,0,0]=3 1581 B12R1.460 CCCNC(=O)c1[nH]cnc1C WXVL_AK00504SC0269 [0,2,0,0,0,0|2,0,0]=4 1582 B12R1.460 CCCNC(=O)c1[nH]cnc1C WXVL_AK00504SC0269 [0,2,0,0,0,0|2,0,0]=4 1583 B12R1.460 CCCNC(=O)c1c[nH]cc1C WXVL_AK00504SC0251 [0,2,0,0,0,0|2,0,0]=4 1584 B12R1.460 CCCNC(=O)c1c[nH]cc1C WXVL_AK00504SC0251 [0,2,0,0,0,0|2,0,0]=4 1585 B12R1.460 CCCNC(=O)c1ccnn1C WXVL_AK00504SC0090 [0,2,0,0,0,0|2,0,0]=4 1586 B12R1.460 CCCNC(=O)c1ccnn1C WXVL_AK00504SC0090 [0,2,0,0,0,0|2,0,0]=4 1587 B12R1.460 CCCNC(=O)c1ccsc1C WXVL_AK00504SC1037 [0,2,0,0,0,0|2,0,0]=4 1588 B12R1.460 CCCNC(=O)c1ccsc1C WXVL_AK00504SC1037 [0,2,0,0,0,0|2,0,0]=4 1589 B12R1.460 CCCNC(=O)c1ccsc1Cl WXVL_AK00504SC0794 [0,2,0,0,0,0|2,0,0]=4 1590 B12R1.460 CCCNC(=O)c1ccsc1Cl WXVL_AK00504SC0794 [0,2,0,0,0,0|2,0,0]=4 1591 B12R1.460 CCCNC(=O)c1cncn1C WXVL_AK00504SC0099 [0,2,0,0,0,0|2,0,0]=4 1592 B12R1.460 CCCNC(=O)c1cncn1C WXVL_AK00504SC0099 [0,2,0,0,0,0|2,0,0]=4 1593 B12R1.460 CCCNC(=O)c1cscc1Br WXVL_AK00504SC1024 [0,2,0,0,0,0|2,0,0]=4 1594 B12R1.460 CCCNC(=O)c1cscc1Br WXVL_AK00504SC1024 [0,2,0,0,0,0|2,0,0]=4 1595 B12R1.460 CCCNC(=O)c1cscc1C WXVL_AK00504SC0257 [0,2,0,0,0,0|2,0,0]=4 1596 B12R1.460 CCCNC(=O)c1cscc1C WXVL_AK00504SC0257 [0,2,0,0,0,0|2,0,0]=4 1597 B12R1.460 CCCNC(=O)c1n[nH]cc1I WXVL_AK00504SC0442 [0,2,0,0,0,0|2,0,0]=4 1598 B12R1.460 CCCNC(=O)c1n[nH]cc1I WXVL_AK00504SC0442 [0,2,0,0,0,0|2,0,0]=4 1599 B12R1.460 CCCNC(=O)c1nccn1C WXVL_AK00504SC0106 [0,2,0,0,0,0|2,0,0]=4 1600 B12R1.460 CCCNC(=O)c1nccn1C WXVL_AK00504SC0106 [0,2,0,0,0,0|2,0,0]=4 1601 B12R1.460 CCCNC(=O)c1ncoc1C WXVL_AK00504SC0732 [0,2,0,0,0,0|2,0,0]=4 1602 B12R1.460 CCCNC(=O)c1ncoc1C WXVL_AK00504SC0732 [0,2,0,0,0,0|2,0,0]=4 1603 B12R1.460 CCCNC(=O)c1ncsc1Br WXVL_AK00504SC0192 [0,2,0,0,0,0|2,0,0]=4 1604 B12R1.460 CCCNC(=O)c1ncsc1Br WXVL_AK00504SC0192 [0,2,0,0,0,0|2,0,0]=4 1605 B12R1.460 CCCNC(=O)c1ncsc1C WXVL_AK00504SC0722 [0,2,0,0,0,0|2,0,0]=4 1606 B12R1.460 CCCNC(=O)c1ncsc1C WXVL_AK00504SC0722 [0,2,0,0,0,0|2,0,0]=4 1607 B12R1.460 CCCNC(=O)c1occc1Br WXVL_AK00504SC0241 [0,2,0,0,0,0|0,0,0]=2 1608 B12R1.460 CCCNC(=O)c1occc1Br WXVL_AK00504SC0241 [0,2,0,0,0,0|0,0,0]=2 1609 B12R1.460 CCCNC(=O)c1occc1C WXVL_AK00504SC0230 [0,2,0,0,0,0|0,0,0]=2 1610 B12R1.460 CCCNC(=O)c1occc1C WXVL_AK00504SC0230 [0,2,0,0,0,0|0,0,0]=2 1611 B12R1.460 CCCNC(=O)c1ocnc1C WXVL_AK00504SC0103 [0,2,0,0,0,0|1,0,0]=3 1612 B12R1.460 CCCNC(=O)c1ocnc1C WXVL_AK00504SC0103 [0,2,0,0,0,0|1,0,0]=3 1613 B12R1.460 CCCNC(=O)c1oncc1C WXVL_AK00504SC0912 [0,2,0,0,0,0|1,0,0]=3 1614 B12R1.460 CCCNC(=O)c1oncc1C WXVL_AK00504SC0912 [0,2,0,0,0,0|1,0,0]=3 1615 B12R1.460 CCCNC(=O)c1sccc1Br WXVL_AK00504SC0364 [0,2,0,0,0,0|0,1,0]=3 1616 B12R1.460 CCCNC(=O)c1sccc1Br WXVL_AK00504SC0364 [0,2,0,0,0,0|0,1,0]=3 1617 B12R1.460 CCCNC(=O)c1sccc1C WXVL_AK00504SC0052 [0,2,0,0,0,0|0,1,0]=3 1618 B12R1.460 CCCNC(=O)c1sccc1C WXVL_AK00504SC0052 [0,2,0,0,0,0|0,1,0]=3 1619 B12R1.460 CCCNC(=O)c1sccc1Cl WXVL_AK00504SC0756 [0,2,0,0,0,0|0,1,0]=3 1620 B12R1.460 CCCNC(=O)c1sccc1Cl WXVL_AK00504SC0756 [0,2,0,0,0,0|0,1,0]=3 1621 B12R1.460 CCCNC(=O)c1sccc1F WXVL_AK00504SC0017 [0,2,0,0,0,0|0,1,0]=3 1622 B12R1.460 CCCNC(=O)c1sccc1F WXVL_AK00504SC0017 [0,2,0,0,0,0|0,1,0]=3 1623 B12R1.460 CCCNC(=O)c1sccc1I WXVL_AK00504SC1579 [0,2,0,0,0,0|0,1,0]=3 1624 B12R1.460 CCCNC(=O)c1sccc1I WXVL_AK00504SC1579 [0,2,0,0,0,0|0,1,0]=3 1625 B12R1.460 CCCNC(=O)c1scnc1C WXVL_AK00504SC0093 [0,2,0,0,0,0|1,1,0]=4 1626 B12R1.460 CCCNC(=O)c1scnc1C WXVL_AK00504SC0093 [0,2,0,0,0,0|1,1,0]=4 1627 B12R1.460 Cc1cc[nH]c1C(=O)NCCF WXVL_AK00466SC1315 [0,2,0,0,0,0|2,0,0]=4 1628 B12R1.460 Cc1cc[nH]c1C(=O)NCCF WXVL_AK00466SC1315 [0,2,0,0,0,0|2,0,0]=4 1629 B12R1.460 Cc1ccoc1C(=O)NCC#N WXVL_AK0683SC0230 [0,2,0,0,0,0|1,0,1]=4 1630 B12R1.460 Cc1ccoc1C(=O)NCC#N WXVL_AK0683SC0230 [0,2,0,0,0,0|1,0,1]=4 1631 B12R1.460 Cc1ccoc1C(=O)NCCF WXVL_AK00466SC0230 [0,2,0,0,0,0|1,0,0]=3 1632 B12R1.460 Cc1ccoc1C(=O)NCCF WXVL_AK00466SC0230 [0,2,0,0,0,0|1,0,0]=3 1633 B12R1.460 Cc1ccsc1C(=O)NCCF WXVL_AK00466SC0052 [0,2,0,0,0,0|1,1,0]=4 1634 B12R1.460 Cc1ccsc1C(=O)NCCF WXVL_AK00466SC0052 [0,2,0,0,0,0|1,1,0]=4 1635 B12R1.460 Cc1cnoc1C(=O)NCCF WXVL_AK00466SC0912 [0,2,0,0,0,0|2,0,0]=4 1636 B12R1.460 Cc1cnoc1C(=O)NCCF WXVL_AK00466SC0912 [0,2,0,0,0,0|2,0,0]=4 1637 B12R1.460 Cc1ncoc1C(=O)NCCF WXVL_AK00466SC0103 [0,2,0,0,0,0|2,0,0]=4 1638 B12R1.460 Cc1ncoc1C(=O)NCCF WXVL_AK00466SC0103 [0,2,0,0,0,0|2,0,0]=4 1639 B12R1.460 N#CCNC(=O)c1occc1Br WXVL_AK0683SC0241 [0,2,0,0,0,0|1,0,1]=4 1640 B12R1.460 N#CCNC(=O)c1occc1Br WXVL_AK0683SC0241 [0,2,0,0,0,0|1,0,1]=4 1641 B12R1.460 O=C(NCCF)c1occc1Br WXVL_AK00466SC0241 [0,2,0,0,0,0|1,0,0]=3 1642 B12R1.460 O=C(NCCF)c1occc1Br WXVL_AK00466SC0241 [0,2,0,0,0,0|1,0,0]=3 1643 B12R1.460 O=C(NCCF)c1sccc1Br WXVL_AK00466SC0364 [0,2,0,0,0,0|1,1,0]=4 1644 B12R1.460 O=C(NCCF)c1sccc1Br WXVL_AK00466SC0364 [0,2,0,0,0,0|1,1,0]=4 1645 B12R1.460 O=C(NCCF)c1sccc1Cl WXVL_AK00466SC0756 [0,2,0,0,0,0|1,1,0]=4 1646 B12R1.460 O=C(NCCF)c1sccc1Cl WXVL_AK00466SC0756 [0,2,0,0,0,0|1,1,0]=4 1647 B12R1.460 O=C(NCCF)c1sccc1F WXVL_AK00466SC0017 [0,2,0,0,0,0|1,1,0]=4 1648 B12R1.460 O=C(NCCF)c1sccc1F WXVL_AK00466SC0017 [0,2,0,0,0,0|1,1,0]=4 1649 B12R1.460 O=C(NCCF)c1sccc1I WXVL_AK00466SC1579 [0,2,0,0,0,0|1,1,0]=4 1650 B12R1.460 O=C(NCCF)c1sccc1I WXVL_AK00466SC1579 [0,2,0,0,0,0|1,1,0]=4 1651 B12R1.74 CCN(CC)C(=O)c1ccco1 WXVL_AN0042SC0049 [0,2,0,0,0,0|1,0,0]=3 1652 B12R1.74 CCN(CC)C(=O)c1ccco1 WXVL_AN0042SC0049 [0,2,0,0,0,0|1,0,0]=3 1653 B12R1.74 CCN(CC)C(=O)c1cccs1 WXVL_AN0042SC0051 [0,2,0,0,0,0|1,1,0]=4 1654 B12R1.74 CCN(CC)C(=O)c1cccs1 WXVL_AN0042SC0051 [0,2,0,0,0,0|1,1,0]=4 1655 B12R1.74 CCN(CC)C(=O)c1ccno1 WXVL_AN0042SC0080 [0,2,0,0,0,0|2,0,0]=4 1656 B12R1.74 CCN(CC)C(=O)c1ccno1 WXVL_AN0042SC0080 [0,2,0,0,0,0|2,0,0]=4 1657 B12R1.74 CCN(CC)C(=O)c1cnco1 WXVL_AN0042SC0018 [0,2,0,0,0,0|2,0,0]=4 1658 B12R1.74 CCN(CC)C(=O)c1cnco1 WXVL_AN0042SC0018 [0,2,0,0,0,0|2,0,0]=4 1659 B12R1.120 CC(C)N(C)C(=O)c1ccco1 WXVL_AN0073SC0049 [0,2,0,0,0,0|1,0,0]=3 1660 B12R1.120 CC(C)N(C)C(=O)c1ccco1 WXVL_AN0073SC0049 [0,2,0,0,0,0|1,0,0]=3 1661 B12R1.120 CC(C)N(C)C(=O)c1cccs1 WXVL_AN0073SC0051 [0,2,0,0,0,0|1,1,0]=4 1662 B12R1.120 CC(C)N(C)C(=O)c1cccs1 WXVL_AN0073SC0051 [0,2,0,0,0,0|1,1,0]=4 1663 B12R1.120 CC(C)N(C)C(=O)c1ccno1 WXVL_AN0073SC0080 [0,2,0,0,0,0|2,0,0]=4 1664 B12R1.120 CC(C)N(C)C(=O)c1ccno1 WXVL_AN0073SC0080 [0,2,0,0,0,0|2,0,0]=4 1665 B12R1.120 CC(C)N(C)C(=O)c1cnco1 WXVL_AN0073SC0018 [0,2,0,0,0,0|2,0,0]=4 1666 B12R1.120 CC(C)N(C)C(=O)c1cnco1 WXVL_AN0073SC0018 [0,2,0,0,0,0|2,0,0]=4 1667 B12R1.120 CN(C)C(=O)C(=O)c1ccco1 WXVL_AN0032SA0049 [0,2,0,0,0,0|1,0,1]=4 1668 B12R1.120 CN(C)C(=O)C(=O)c1ccco1 WXVL_AN0032SA0049 [0,2,0,0,0,0|1,0,1]=4 1669 B12R1.144 CC(C)NC(=O)c1occc1Br WXVL_AK0030SC0241 [0,2,0,0,0,0|1,0,0]=3 1670 B12R1.144 CC(C)NC(=O)c1occc1Br WXVL_AK0030SC0241 [0,2,0,0,0,0|1,0,0]=3 1671 B12R1.144 CC(C)NC(=O)c1sccc1Br WXVL_AK0030SC0364 [0,2,0,0,0,0|1,1,0]=4 1672 B12R1.144 CC(C)NC(=O)c1sccc1Br WXVL_AK0030SC0364 [0,2,0,0,0,0|1,1,0]=4 1673 B12R1.144 CC(C)NC(=O)c1sccc1Cl WXVL_AK0030SC0756 [0,2,0,0,0,0|1,1,0]=4 1674 B12R1.144 CC(C)NC(=O)c1sccc1Cl WXVL_AK0030SC0756 [0,2,0,0,0,0|1,1,0]=4 1675 B12R1.144 CC(C)NC(=O)c1sccc1F WXVL_AK0030SC0017 [0,2,0,0,0,0|1,1,0]=4 1676 B12R1.144 CC(C)NC(=O)c1sccc1F WXVL_AK0030SC0017 [0,2,0,0,0,0|1,1,0]=4 1677 B12R1.144 CC(C)NC(=O)c1sccc1I WXVL_AK0030SC1579 [0,2,0,0,0,0|1,1,0]=4 1678 B12R1.144 CC(C)NC(=O)c1sccc1I WXVL_AK0030SC1579 [0,2,0,0,0,0|1,1,0]=4 1679 B12R1.144 Cc1cc[nH]c1C(=O)NC(C)C WXVL_AK0030SC1315 [0,2,0,0,0,0|2,0,0]=4 1680 B12R1.144 Cc1cc[nH]c1C(=O)NC(C)C WXVL_AK0030SC1315 [0,2,0,0,0,0|2,0,0]=4 1681 B12R1.144 Cc1ccoc1C(=O)NC(C)C WXVL_AK0030SC0230 [0,2,0,0,0,0|1,0,0]=3 1682 B12R1.144 Cc1ccoc1C(=O)NC(C)C WXVL_AK0030SC0230 [0,2,0,0,0,0|1,0,0]=3 1683 B12R1.144 Cc1ccsc1C(=O)NC(C)C WXVL_AK0030SC0052 [0,2,0,0,0,0|1,1,0]=4 1684 B12R1.144 Cc1ccsc1C(=O)NC(C)C WXVL_AK0030SC0052 [0,2,0,0,0,0|1,1,0]=4 1685 B12R1.144 Cc1cnoc1C(=O)NC(C)C WXVL_AK0030SC0912 [0,2,0,0,0,0|2,0,0]=4 1686 B12R1.144 Cc1cnoc1C(=O)NC(C)C WXVL_AK0030SC0912 [0,2,0,0,0,0|2,0,0]=4 1687 B12R1.144 Cc1ncoc1C(=O)NC(C)C WXVL_AK0030SC0103 [0,2,0,0,0,0|2,0,0]=4 1688 B12R1.144 Cc1ncoc1C(=O)NC(C)C WXVL_AK0030SC0103 [0,2,0,0,0,0|2,0,0]=4 1689 B12R1.265 CC(C)(C)NC(=O)c1ccco1 WXVL_AK0024SC0049 [0,2,0,0,0,0|1,0,0]=3 1690 B12R1.265 CC(C)(C)NC(=O)c1ccco1 WXVL_AK0024SC0049 [0,2,0,0,0,0|1,0,0]=3 1691 B12R1.265 CC(C)(C)NC(=O)c1cccs1 WXVL_AK0024SC0051 [0,2,0,0,0,0|1,1,0]=4 1692 B12R1.265 CC(C)(C)NC(=O)c1cccs1 WXVL_AK0024SC0051 [0,2,0,0,0,0|1,1,0]=4 1693 B12R1.265 CC(C)(C)NC(=O)c1ccno1 WXVL_AK0024SC0080 [0,2,0,0,0,0|2,0,0]=4 1694 B12R1.265 CC(C)(C)NC(=O)c1ccno1 WXVL_AK0024SC0080 [0,2,0,0,0,0|2,0,0]=4 1695 B12R1.265 CC(C)(C)NC(=O)c1cnco1 WXVL_AK0024SC0018 [0,2,0,0,0,0|2,0,0]=4 1696 B12R1.265 CC(C)(C)NC(=O)c1cnco1 WXVL_AK0024SC0018 [0,2,0,0,0,0|2,0,0]=4 1697 B12R1.316 CCNC(=O)c1sccc1OC WXVL_AK00476SC0825 [0,2,0,0,0,0|1,1,0]=4 1698 B12R1.316 CCNC(=O)c1sccc1OC WXVL_AK00476SC0825 [0,2,0,0,0,0|1,1,0]=4 1699 B12R2.1423 O=C(Nc1cc[nH]n1)C2CC2 WXVL_AF2373SB0038 [0,0,0,1,0,1|2,0,0]=4 1700 B12R2.1423 O=C(Nc1cc[nH]n1)C2CC2 WXVL_AF2373SB0038 [0,0,0,1,0,1|2,0,0]=4 1701 B12R2.1423 O=C(Nc1ccn[nH]1)C2CC2 WXVL_AF0122SB0038 [0,0,0,1,0,1|2,0,0]=4 1702 B12R2.1423 O=C(Nc1ccn[nH]1)C2CC2 WXVL_AF0122SB0038 [0,0,0,1,0,1|2,0,0]=4 1703 B12R2.1423 O=C(Nc1ccno1)C2CC2 WXVL_AF0588SB0038 [0,0,0,1,0,1|1,0,0]=3 1704 B12R2.1423 O=C(Nc1ccno1)C2CC2 WXVL_AF0588SB0038 [0,0,0,1,0,1|1,0,0]=3 1705 B12R2.1423 O=C(Nc1ccns1)C2CC2 WXVL_AF00325SB0038 [0,0,0,1,0,1|1,1,0]=4 1706 B12R2.1423 O=C(Nc1ccns1)C2CC2 WXVL_AF00325SB0038 [0,0,0,1,0,1|1,1,0]=4 1707 B12R2.1423 O=C(Nc1ccon1)C2CC2 WXVL_AF0028SB0038 [0,0,0,1,0,1|2,0,0]=4 1708 B12R2.1423 O=C(Nc1ccon1)C2CC2 WXVL_AF0028SB0038 [0,0,0,1,0,1|2,0,0]=4 1709 B12R2.1423 O=C(Nc1ccsc1)C2CC2 WXVL_AF00105SB0038 [0,0,0,1,0,1|2,0,0]=4 1710 B12R2.1423 O=C(Nc1ccsc1)C2CC2 WXVL_AF00105SB0038 [0,0,0,1,0,1|2,0,0]=4 1711 B12R2.1423 O=C(Nc1cnc[nH]1)C2CC2 WXVL_AF00103SB0038 [0,0,0,1,0,1|2,0,0]=4 1712 B12R2.1423 O=C(Nc1cnc[nH]1)C2CC2 WXVL_AF00103SB0038 [0,0,0,1,0,1|2,0,0]=4 1713 B12R2.1423 O=C(Nc1cncs1)C2CC2 WXVL_AF0724SB0038 [0,0,0,1,0,1|1,1,0]=4 1714 B12R2.1423 O=C(Nc1cncs1)C2CC2 WXVL_AF0724SB0038 [0,0,0,1,0,1|1,1,0]=4 1715 B12R2.1423 O=C(Nc1cscn1)C2CC2 WXVL_AF00216SB0038 [0,0,0,1,0,1|2,0,0]=4 1716 B12R2.1423 O=C(Nc1cscn1)C2CC2 WXVL_AF00216SB0038 [0,0,0,1,0,1|2,0,0]=4 1717 B12R2.1423 O=C(Nc1ncc[nH]1)C2CC2 WXVL_AF0297SB0038 [0,0,0,1,0,1|2,0,0]=4 1718 B12R2.1423 O=C(Nc1ncc[nH]1)C2CC2 WXVL_AF0297SB0038 [0,0,0,1,0,1|2,0,0]=4 1719 B12R2.1423 O=C(Nc1ncco1)C2CC2 WXVL_AF0235SB0038 [0,0,0,1,0,1|1,0,0]=3 1720 B12R2.1423 O=C(Nc1ncco1)C2CC2 WXVL_AF0235SB0038 [0,0,0,1,0,1|1,0,0]=3 1721 B12R2.1423 O=C(Nc1nccs1)C2CC2 WXVL_AF0003SB0038 [0,0,0,1,0,1|1,1,0]=4 1722 B12R2.1423 O=C(Nc1nccs1)C2CC2 WXVL_AF0003SB0038 [0,0,0,1,0,1|1,1,0]=4 1723 B12R2.1423 O=C(Nc1nnco1)C2CC2 WXVL_AF0087SB0038 [0,0,0,1,0,1|2,0,0]=4 1724 B12R2.1423 O=C(Nc1nnco1)C2CC2 WXVL_AF0087SB0038 [0,0,0,1,0,1|2,0,0]=4 1725 B12R2.6 Cc1ccc(s1)C2=CCCC2 WXVL_LR0501BT0967 [0,1,0,1,0,0|1,1,0]=4 1726 B12R2.6 Clc1ccc(s1)C2=CCCC2 WXVL_LR0493BT0967 [0,1,0,1,0,0|1,1,0]=4 1727 B12R2.2074 O=C(NC1CC1)c2c[nH]cn2 WXVL_AK0001SC0074 [0,1,0,1,0,0|2,0,0]=4 1728 B12R2.2074 O=C(NC1CC1)c2c[nH]cn2 WXVL_AK0001SC0074 [0,1,0,1,0,0|2,0,0]=4 1729 B12R2.2074 O=C(NC1CC1)c2cc[nH]c2 WXVL_AK0001SC0013 [0,1,0,1,0,0|2,0,0]=4 1730 B12R2.2074 O=C(NC1CC1)c2cc[nH]c2 WXVL_AK0001SC0013 [0,1,0,1,0,0|2,0,0]=4 1731 B12R2.2074 O=C(NC1CC1)c2cc[nH]n2 WXVL_AK0001SC0003 [0,1,0,1,0,0|2,0,0]=4 1732 B12R2.2074 O=C(NC1CC1)c2cc[nH]n2 WXVL_AK0001SC0003 [0,1,0,1,0,0|2,0,0]=4 1733 B12R2.2074 O=C(NC1CC1)c2ccco2 WXVL_AK0001SC0049 [0,1,0,1,0,0|0,0,0]=2 1734 B12R2.2074 O=C(NC1CC1)c2ccco2 WXVL_AK0001SC0049 [0,1,0,1,0,0|0,0,0]=2 1735 B12R2.2074 O=C(NC1CC1)c2cccs2 WXVL_AK0001SC0051 [0,1,0,1,0,0|0,1,0]=3 1736 B12R2.2074 O=C(NC1CC1)c2cccs2 WXVL_AK0001SC0051 [0,1,0,1,0,0|0,1,0]=3 1737 B12R2.2074 O=C(NC1CC1)c2ccno2 WXVL_AK0001SC0080 [0,1,0,1,0,0|1,0,0]=3 1738 B12R2.2074 O=C(NC1CC1)c2ccno2 WXVL_AK0001SC0080 [0,1,0,1,0,0|1,0,0]=3 1739 B12R2.2074 O=C(NC1CC1)c2ccns2 WXVL_AK0001SC0027 [0,1,0,1,0,0|1,1,0]=4 1740 B12R2.2074 O=C(NC1CC1)c2ccns2 WXVL_AK0001SC0027 [0,1,0,1,0,0|1,1,0]=4 1741 B12R2.2074 O=C(NC1CC1)c2ccoc2 WXVL_AK0001SC0050 [0,1,0,1,0,0|2,0,0]=4 1742 B12R2.2074 O=C(NC1CC1)c2ccoc2 WXVL_AK0001SC0050 [0,1,0,1,0,0|2,0,0]=4 1743 B12R2.2074 O=C(NC1CC1)c2ccon2 WXVL_AK0001SC0116 [0,1,0,1,0,0|2,0,0]=4 1744 B12R2.2074 O=C(NC1CC1)c2ccon2 WXVL_AK0001SC0116 [0,1,0,1,0,0|2,0,0]=4 1745 B12R2.2074 O=C(NC1CC1)c2ccsc2 WXVL_AK0001SC0054 [0,1,0,1,0,0|2,0,0]=4 1746 B12R2.2074 O=C(NC1CC1)c2ccsc2 WXVL_AK0001SC0054 [0,1,0,1,0,0|2,0,0]=4 1747 B12R2.2074 O=C(NC1CC1)c2ccsn2 WXVL_AK0001SC0764 [0,1,0,1,0,0|2,0,0]=4 1748 B12R2.2074 O=C(NC1CC1)c2ccsn2 WXVL_AK0001SC0764 [0,1,0,1,0,0|2,0,0]=4 1749 B12R2.2074 O=C(NC1CC1)c2cnc[nH]2 WXVL_AK0001SC0247 [0,1,0,1,0,0|2,0,0]=4 1750 B12R2.2074 O=C(NC1CC1)c2cnc[nH]2 WXVL_AK0001SC0247 [0,1,0,1,0,0|2,0,0]=4 1751 B12R2.2074 O=C(NC1CC1)c2cnco2 WXVL_AK0001SC0018 [0,1,0,1,0,0|1,0,0]=3 1752 B12R2.2074 O=C(NC1CC1)c2cnco2 WXVL_AK0001SC0018 [0,1,0,1,0,0|1,0,0]=3 1753 B12R2.2074 O=C(NC1CC1)c2cncs2 WXVL_AK0001SC0113 [0,1,0,1,0,0|1,1,0]=4 1754 B12R2.2074 O=C(NC1CC1)c2cncs2 WXVL_AK0001SC0113 [0,1,0,1,0,0|1,1,0]=4 1755 B12R2.2074 O=C(NC1CC1)c2cocn2 WXVL_AK0001SC0118 [0,1,0,1,0,0|2,0,0]=4 1756 B12R2.2074 O=C(NC1CC1)c2cocn2 WXVL_AK0001SC0118 [0,1,0,1,0,0|2,0,0]=4 1757 B12R2.2074 O=C(NC1CC1)c2cscn2 WXVL_AK0001SC0092 [0,1,0,1,0,0|2,0,0]=4 1758 B12R2.2074 O=C(NC1CC1)c2cscn2 WXVL_AK0001SC0092 [0,1,0,1,0,0|2,0,0]=4 1759 B12R2.2074 O=C(NC1CC1)c2nccs2 WXVL_AK0001SC0110 [0,1,0,1,0,0|1,1,0]=4 1760 B12R2.2074 O=C(NC1CC1)c2nccs2 WXVL_AK0001SC0110 [0,1,0,1,0,0|1,1,0]=4 1761 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [1,0,0,0,0,1|2,0,0]=4 1762 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [1,0,0,0,0,1|2,0,0]=4 1763 B10R1.15 CNC(=O)c1ccccn1 WXVL_AK00442SC0058 [1,0,0,0,0,1|2,0,0]=4 1764 B10R1.15 CNC(=O)c1ccccn1 WXVL_AK00442SC0058 [1,0,0,0,0,1|2,0,0]=4 1765 B10R1.15 CNC(=O)c1cccnc1 WXVL_AK00442SC0061 [1,0,0,0,0,1|2,0,0]=4 1766 B10R1.15 CNC(=O)c1cccnc1 WXVL_AK00442SC0061 [1,0,0,0,0,1|2,0,0]=4 1767 B10R1.15 CNC(=O)c1cccnn1 WXVL_AK00442SC0374 [1,0,0,0,0,1|2,0,0]=4 1768 B10R1.15 CNC(=O)c1cccnn1 WXVL_AK00442SC0374 [1,0,0,0,0,1|2,0,0]=4 1769 B10R1.15 CNC(=O)c1ccncc1 WXVL_AK00442SC0062 [1,0,0,0,0,1|2,0,0]=4 1770 B10R1.15 CNC(=O)c1ccncc1 WXVL_AK00442SC0062 [1,0,0,0,0,1|2,0,0]=4 1771 B10R1.15 CNC(=O)c1ccncn1 WXVL_AK00442SC0231 [1,0,0,0,0,1|2,0,0]=4 1772 B10R1.15 CNC(=O)c1ccncn1 WXVL_AK00442SC0231 [1,0,0,0,0,1|2,0,0]=4 1773 B10R1.15 CNC(=O)c1ncccn1 WXVL_AK00442SC0096 [1,0,0,0,0,1|2,0,0]=4 1774 B10R1.15 CNC(=O)c1ncccn1 WXVL_AK00442SC0096 [1,0,0,0,0,1|2,0,0]=4 1775 B10R1.17 CCCNc1ccncn1 WXVL_AK00504LP3358 [1,0,0,0,0,1|2,0,0]=4 1776 B10R1.17 CCCNc1ccncn1 WXVL_AK00504LP3358 [1,0,0,0,0,1|2,0,0]=4 1777 B10R1.17 CCCNc1ncccn1 WXVL_AK00504LP0002 [1,0,0,0,0,1|2,0,0]=4 1778 B10R1.17 CCCNc1ncccn1 WXVL_AK00504LP0002 [1,0,0,0,0,1|2,0,0]=4 1779 B12R1.32 CCCC(=O)Nc1ccccc1 WXVL_AG00183SB0073 [0,0,0,0,0,2|1,0,0]=3 1780 B12R1.32 CCCC(=O)Nc1ccccc1 WXVL_AG00183SB0073 [0,0,0,0,0,2|1,0,0]=3 1781 B12R1.32 CCCC(=O)Nc1ccccn1 WXVL_AF00298SB0073 [0,0,0,0,0,2|1,0,0]=3 1782 B12R1.32 CCCC(=O)Nc1ccccn1 WXVL_AF00298SB0073 [0,0,0,0,0,2|1,0,0]=3 1783 B12R1.32 CCCC(=O)Nc1cccnn1 WXVL_AF0151SB0073 [0,0,0,0,0,2|1,0,0]=3 1784 B12R1.32 CCCC(=O)Nc1cccnn1 WXVL_AF0151SB0073 [0,0,0,0,0,2|1,0,0]=3 1785 B12R1.32 CCCC(=O)Nc1ccncn1 WXVL_AF0139SB0073 [0,0,0,0,0,2|1,0,0]=3 1786 B12R1.32 CCCC(=O)Nc1ccncn1 WXVL_AF0139SB0073 [0,0,0,0,0,2|1,0,0]=3 1787 B12R1.32 CCCC(=O)Nc1ccnnc1 WXVL_AF0624SB0073 [0,0,0,0,0,2|2,0,0]=4 1788 B12R1.32 CCCC(=O)Nc1ccnnc1 WXVL_AF0624SB0073 [0,0,0,0,0,2|2,0,0]=4 1789 B12R1.32 CCCC(=O)Nc1cnccn1 WXVL_AF0120SB0073 [0,0,0,0,0,2|1,0,0]=3 1790 B12R1.32 CCCC(=O)Nc1cnccn1 WXVL_AF0120SB0073 [0,0,0,0,0,2|1,0,0]=3 1791 B12R1.32 CCCC(=O)Nc1cncnc1 WXVL_AF0085SB0073 [0,0,0,0,0,2|2,0,0]=4 1792 B12R1.32 CCCC(=O)Nc1cncnc1 WXVL_AF0085SB0073 [0,0,0,0,0,2|2,0,0]=4 1793 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [0,0,0,0,0,2|2,0,0]=4 1794 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [0,0,0,0,0,2|2,0,0]=4 1795 B12R1.32 CCNC(=O)Cc1ccccn1 WXVL_AK00476SA0032 [0,0,0,0,0,2|2,0,0]=4 1796 B12R1.32 CCNC(=O)Cc1ccccn1 WXVL_AK00476SA0032 [0,0,0,0,0,2|2,0,0]=4 1797 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SA0029 [0,0,0,0,0,2|2,0,0]=4 1798 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SA0029 [0,0,0,0,0,2|2,0,0]=4 1799 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SB00049 [0,0,0,0,0,2|2,0,0]=4 1800 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SB00049 [0,0,0,0,0,2|2,0,0]=4 1801 B12R1.32 CCNC(=O)Cc1ccncc1 WXVL_AK00476SA00106 [0,0,0,0,0,2|2,0,0]=4 1802 B12R1.32 CCNC(=O)Cc1ccncc1 WXVL_AK00476SA00106 [0,0,0,0,0,2|2,0,0]=4 1803 B12R1.32 CCNC(=O)Cc1ncccn1 WXVL_AK00476SA0307 [0,0,0,0,0,2|2,0,0]=4 1804 B12R1.32 CCNC(=O)Cc1ncccn1 WXVL_AK00476SA0307 [0,0,0,0,0,2|2,0,0]=4 1805 B12R1.32 CCNC(=O)Nc1ccccn1 WXVL_AK00476YV0189 [0,0,0,0,0,2|2,0,0]=4 1806 B12R1.32 CCNC(=O)Nc1ccccn1 WXVL_AK00476YV0189 [0,0,0,0,0,2|2,0,0]=4 1807 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [0,0,0,0,0,2|2,0,0]=4 1808 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [0,0,0,0,0,2|2,0,0]=4 1809 B12R1.32 COCC(=O)Nc1ccccn1 WXVL_AF00298SB0090 [0,0,0,0,0,2|2,0,0]=4 1810 B12R1.32 COCC(=O)Nc1ccccn1 WXVL_AF00298SB0090 [0,0,0,0,0,2|2,0,0]=4 1811 B12R1.32 COCC(=O)Nc1cccnn1 WXVL_AF0151SB0090 [0,0,0,0,0,2|2,0,0]=4 1812 B12R1.32 COCC(=O)Nc1cccnn1 WXVL_AF0151SB0090 [0,0,0,0,0,2|2,0,0]=4 1813 B12R1.32 COCC(=O)Nc1ccncn1 WXVL_AF0139SB0090 [0,0,0,0,0,2|2,0,0]=4 1814 B12R1.32 COCC(=O)Nc1ccncn1 WXVL_AF0139SB0090 [0,0,0,0,0,2|2,0,0]=4 1815 B12R1.32 COCC(=O)Nc1cnccn1 WXVL_AF0120SB0090 [0,0,0,0,0,2|2,0,0]=4 1816 B12R1.32 COCC(=O)Nc1cnccn1 WXVL_AF0120SB0090 [0,0,0,0,0,2|2,0,0]=4 1817 B12R1.32 CSCC(=O)Nc1ccccc1 WXVL_AG00183SB1267 [0,0,0,0,0,2|2,0,0]=4 1818 B12R1.32 CSCC(=O)Nc1ccccc1 WXVL_AG00183SB1267 [0,0,0,0,0,2|2,0,0]=4 1819 B12R1.32 CSCC(=O)Nc1ccccn1 WXVL_AF00298SB1267 [0,0,0,0,0,2|2,0,0]=4 1820 B12R1.32 CSCC(=O)Nc1ccccn1 WXVL_AF00298SB1267 [0,0,0,0,0,2|2,0,0]=4 1821 B12R1.32 CSCC(=O)Nc1cccnn1 WXVL_AF0151SB1267 [0,0,0,0,0,2|2,0,0]=4 1822 B12R1.32 CSCC(=O)Nc1cccnn1 WXVL_AF0151SB1267 [0,0,0,0,0,2|2,0,0]=4 1823 B12R1.32 CSCC(=O)Nc1ccncn1 WXVL_AF0139SB1267 [0,0,0,0,0,2|2,0,0]=4 1824 B12R1.32 CSCC(=O)Nc1ccncn1 WXVL_AF0139SB1267 [0,0,0,0,0,2|2,0,0]=4 1825 B12R1.32 CSCC(=O)Nc1cnccn1 WXVL_AF0120SB1267 [0,0,0,0,0,2|2,0,0]=4 1826 B12R1.32 CSCC(=O)Nc1cnccn1 WXVL_AF0120SB1267 [0,0,0,0,0,2|2,0,0]=4 1827 B12R1.51 C#CCC(=O)NCc1ccco1 WXVL_AK0010SB3070 [0,0,0,0,0,2|0,0,2]=4 1828 B12R1.51 C#CCC(=O)NCc1ccco1 WXVL_AK0010SB3070 [0,0,0,0,0,2|0,0,2]=4 1829 B12R1.51 C/C=C/C(=O)NCc1ccco1 WXVL_AK0010SB0340 [0,0,0,0,0,2|0,0,2]=4 1830 B12R1.51 C/C=C/C(=O)NCc1ccco1 WXVL_AK0010SB0340 [0,0,0,0,0,2|0,0,2]=4 1831 B12R1.51 C=CCC(=O)NCc1ccco1 WXVL_AK0010SB2732 [0,0,0,0,0,2|0,0,2]=4 1832 B12R1.51 C=CCC(=O)NCc1ccco1 WXVL_AK0010SB2732 [0,0,0,0,0,2|0,0,2]=4 1833 B12R1.51 CC#CC(=O)NCc1ccco1 WXVL_AK0010SB1240 [0,0,0,0,0,2|0,0,2]=4 1834 B12R1.51 CC#CC(=O)NCc1ccco1 WXVL_AK0010SB1240 [0,0,0,0,0,2|0,0,2]=4 1835 B12R1.51 CCCC(=O)NCc1cc[nH]n1 WXVL_AK00156SB0073 [0,0,0,0,0,2|2,0,0]=4 1836 B12R1.51 CCCC(=O)NCc1cc[nH]n1 WXVL_AK00156SB0073 [0,0,0,0,0,2|2,0,0]=4 1837 B12R1.51 CCCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0073 [0,0,0,0,0,2|1,0,0]=3 1838 B12R1.51 CCCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0073 [0,0,0,0,0,2|1,0,0]=3 1839 B12R1.51 CCCC(=O)NCc1ccco1 WXVL_AK0010SB0073 [0,0,0,0,0,2|0,0,0]=2 1840 B12R1.51 CCCC(=O)NCc1ccco1 WXVL_AK0010SB0073 [0,0,0,0,0,2|0,0,0]=2 1841 B12R1.51 CCCC(=O)NCc1cccs1 WXVL_AK0014SB0073 [0,0,0,0,0,2|0,1,0]=3 1842 B12R1.51 CCCC(=O)NCc1cccs1 WXVL_AK0014SB0073 [0,0,0,0,0,2|0,1,0]=3 1843 B12R1.51 CCCC(=O)NCc1ccn[nH]1 WXVL_AK0459SB0073 [0,0,0,0,0,2|2,0,0]=4 1844 B12R1.51 CCCC(=O)NCc1ccn[nH]1 WXVL_AK0459SB0073 [0,0,0,0,0,2|2,0,0]=4 1845 B12R1.51 CCCC(=O)NCc1ccoc1 WXVL_AK2033SB0073 [0,0,0,0,0,2|2,0,0]=4 1846 B12R1.51 CCCC(=O)NCc1ccoc1 WXVL_AK2033SB0073 [0,0,0,0,0,2|2,0,0]=4 1847 B12R1.51 CCCC(=O)NCc1ccsc1 WXVL_AK00174SB0073 [0,0,0,0,0,2|2,0,0]=4 1848 B12R1.51 CCCC(=O)NCc1ccsc1 WXVL_AK00174SB0073 [0,0,0,0,0,2|2,0,0]=4 1849 B12R1.51 CCCC(=O)NCc1cnc[nH]1 WXVL_AK00778SB0073 [0,0,0,0,0,2|2,0,0]=4 1850 B12R1.51 CCCC(=O)NCc1cnc[nH]1 WXVL_AK00778SB0073 [0,0,0,0,0,2|2,0,0]=4 1851 B12R1.51 CCCC(=O)NCc1cnco1 WXVL_AK1437SB0073 [0,0,0,0,0,2|1,0,0]=3 1852 B12R1.51 CCCC(=O)NCc1cnco1 WXVL_AK1437SB0073 [0,0,0,0,0,2|1,0,0]=3 1853 B12R1.51 CCCC(=O)NCc1cncs1 WXVL_AK0526SB0073 [0,0,0,0,0,2|1,1,0]=4 1854 B12R1.51 CCCC(=O)NCc1cncs1 WXVL_AK0526SB0073 [0,0,0,0,0,2|1,1,0]=4 1855 B12R1.51 CCCC(=O)NCc1cocn1 WXVL_AK00016SB0073 [0,0,0,0,0,2|2,0,0]=4 1856 B12R1.51 CCCC(=O)NCc1cocn1 WXVL_AK00016SB0073 [0,0,0,0,0,2|2,0,0]=4 1857 B12R1.51 CCCC(=O)NCc1cscn1 WXVL_AK0325SB0073 [0,0,0,0,0,2|2,0,0]=4 1858 B12R1.51 CCCC(=O)NCc1cscn1 WXVL_AK0325SB0073 [0,0,0,0,0,2|2,0,0]=4 1859 B12R1.51 CCCC(=O)NCc1nccs1 WXVL_AK0153SB0073 [0,0,0,0,0,2|1,1,0]=4 1860 B12R1.51 CCCC(=O)NCc1nccs1 WXVL_AK0153SB0073 [0,0,0,0,0,2|1,1,0]=4 1861 B12R1.51 CCNC(=O)/C=C/c1ccco1 WXVL_AK00476SA0180 [0,0,0,0,0,2|1,0,0]=3 1862 B12R1.51 CCNC(=O)/C=C/c1ccco1 WXVL_AK00476SA0180 [0,0,0,0,0,2|1,0,0]=3 1863 B12R1.51 CCNC(=O)/C=C/c1cccs1 WXVL_AK00476SA0001 [0,0,0,0,0,2|1,1,0]=4 1864 B12R1.51 CCNC(=O)/C=C/c1cccs1 WXVL_AK00476SA0001 [0,0,0,0,0,2|1,1,0]=4 1865 B12R1.51 CCNC(=O)CCc1ccc[nH]1 WXVL_AK00476SA0009 [0,0,0,0,0,2|2,0,0]=4 1866 B12R1.51 CCNC(=O)CCc1ccc[nH]1 WXVL_AK00476SA0009 [0,0,0,0,0,2|2,0,0]=4 1867 B12R1.51 CCNC(=O)CCc1ccco1 WXVL_AK00476SA0167 [0,0,0,0,0,2|1,0,0]=3 1868 B12R1.51 CCNC(=O)CCc1ccco1 WXVL_AK00476SA0167 [0,0,0,0,0,2|1,0,0]=3 1869 B12R1.51 CCNC(=O)CCc1cccs1 WXVL_AK00476SA0303 [0,0,0,0,0,2|1,1,0]=4 1870 B12R1.51 CCNC(=O)CCc1cccs1 WXVL_AK00476SA0303 [0,0,0,0,0,2|1,1,0]=4 1871 B12R1.51 COCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0090 [0,0,0,0,0,2|2,0,0]=4 1872 B12R1.51 COCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0090 [0,0,0,0,0,2|2,0,0]=4 1873 B12R1.51 COCC(=O)NCc1ccco1 WXVL_AK0010SB0090 [0,0,0,0,0,2|1,0,0]=3 1874 B12R1.51 COCC(=O)NCc1ccco1 WXVL_AK0010SB0090 [0,0,0,0,0,2|1,0,0]=3 1875 B12R1.51 COCC(=O)NCc1cccs1 WXVL_AK0014SB0090 [0,0,0,0,0,2|1,1,0]=4 1876 B12R1.51 COCC(=O)NCc1cccs1 WXVL_AK0014SB0090 [0,0,0,0,0,2|1,1,0]=4 1877 B12R1.51 COCC(=O)NCc1cnco1 WXVL_AK1437SB0090 [0,0,0,0,0,2|2,0,0]=4 1878 B12R1.51 COCC(=O)NCc1cnco1 WXVL_AK1437SB0090 [0,0,0,0,0,2|2,0,0]=4 1879 B12R1.51 CSCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB1267 [0,0,0,0,0,2|2,0,0]=4 1880 B12R1.51 CSCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB1267 [0,0,0,0,0,2|2,0,0]=4 1881 B12R1.51 CSCC(=O)NCc1ccco1 WXVL_AK0010SB1267 [0,0,0,0,0,2|1,0,0]=3 1882 B12R1.51 CSCC(=O)NCc1ccco1 WXVL_AK0010SB1267 [0,0,0,0,0,2|1,0,0]=3 1883 B12R1.51 CSCC(=O)NCc1cccs1 WXVL_AK0014SB1267 [0,0,0,0,0,2|1,1,0]=4 1884 B12R1.51 CSCC(=O)NCc1cccs1 WXVL_AK0014SB1267 [0,0,0,0,0,2|1,1,0]=4 1885 B12R1.51 CSCC(=O)NCc1cnco1 WXVL_AK1437SB1267 [0,0,0,0,0,2|2,0,0]=4 1886 B12R1.51 CSCC(=O)NCc1cnco1 WXVL_AK1437SB1267 [0,0,0,0,0,2|2,0,0]=4 1887 B12R1.51 N#CCC(=O)NCc1ccco1 WXVL_AK0010SB0057 [0,0,0,0,0,2|1,0,1]=4 1888 B12R1.51 N#CCC(=O)NCc1ccco1 WXVL_AK0010SB0057 [0,0,0,0,0,2|1,0,1]=4