0 B12R1.35 C#CCCNC(=O)c1ccco1 WXVL_AK3109SC0049 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.35 C#CCCNC(=O)c1ccco1 WXVL_AK3109SC0049 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.35 C#CCCNC(=O)c1cccs1 WXVL_AK3109SC0051 [0,0,0,0,0,0|1,1,2]=4 3 B12R1.35 C#CCCNC(=O)c1cccs1 WXVL_AK3109SC0051 [0,0,0,0,0,0|1,1,2]=4 4 B12R1.35 C#CCCNC(=O)c1ccno1 WXVL_AK3109SC0080 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.35 C#CCCNC(=O)c1ccno1 WXVL_AK3109SC0080 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.35 C#CCCNC(=O)c1cnco1 WXVL_AK3109SC0018 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.35 C#CCCNC(=O)c1cnco1 WXVL_AK3109SC0018 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.35 C=CCCNC(=O)c1ccco1 WXVL_AK00138SC0049 [0,0,0,0,0,0|1,0,2]=3 9 B12R1.35 C=CCCNC(=O)c1ccco1 WXVL_AK00138SC0049 [0,0,0,0,0,0|1,0,2]=3 10 B12R1.35 C=CCCNC(=O)c1cccs1 WXVL_AK00138SC0051 [0,0,0,0,0,0|1,1,2]=4 11 B12R1.35 C=CCCNC(=O)c1cccs1 WXVL_AK00138SC0051 [0,0,0,0,0,0|1,1,2]=4 12 B12R1.35 C=CCCNC(=O)c1ccno1 WXVL_AK00138SC0080 [0,0,0,0,0,0|2,0,2]=4 13 B12R1.35 C=CCCNC(=O)c1ccno1 WXVL_AK00138SC0080 [0,0,0,0,0,0|2,0,2]=4 14 B12R1.35 C=CCCNC(=O)c1cnco1 WXVL_AK00138SC0018 [0,0,0,0,0,0|2,0,2]=4 15 B12R1.35 C=CCCNC(=O)c1cnco1 WXVL_AK00138SC0018 [0,0,0,0,0,0|2,0,2]=4 16 B12R1.35 CCCCNC(=O)c1c[nH]cn1 WXVL_AK00588SC0074 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.35 CCCCNC(=O)c1c[nH]cn1 WXVL_AK00588SC0074 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.35 CCCCNC(=O)c1cc[nH]c1 WXVL_AK00588SC0013 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.35 CCCCNC(=O)c1cc[nH]c1 WXVL_AK00588SC0013 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.35 CCCCNC(=O)c1cc[nH]n1 WXVL_AK00588SC0003 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.35 CCCCNC(=O)c1cc[nH]n1 WXVL_AK00588SC0003 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.35 CCCCNC(=O)c1ccco1 WXVL_AK00588SC0049 [0,0,0,0,0,0|1,0,0]=1 23 B12R1.35 CCCCNC(=O)c1ccco1 WXVL_AK00588SC0049 [0,0,0,0,0,0|1,0,0]=1 24 B12R1.35 CCCCNC(=O)c1cccs1 WXVL_AK00588SC0051 [0,0,0,0,0,0|1,1,0]=2 25 B12R1.35 CCCCNC(=O)c1cccs1 WXVL_AK00588SC0051 [0,0,0,0,0,0|1,1,0]=2 26 B12R1.35 CCCCNC(=O)c1ccno1 WXVL_AK00588SC0080 [0,0,0,0,0,0|2,0,0]=2 27 B12R1.35 CCCCNC(=O)c1ccno1 WXVL_AK00588SC0080 [0,0,0,0,0,0|2,0,0]=2 28 B12R1.35 CCCCNC(=O)c1ccns1 WXVL_AK00588SC0027 [0,0,0,0,0,0|2,1,0]=3 29 B12R1.35 CCCCNC(=O)c1ccns1 WXVL_AK00588SC0027 [0,0,0,0,0,0|2,1,0]=3 30 B12R1.35 CCCCNC(=O)c1ccoc1 WXVL_AK00588SC0050 [0,0,0,0,0,0|3,0,0]=3 31 B12R1.35 CCCCNC(=O)c1ccoc1 WXVL_AK00588SC0050 [0,0,0,0,0,0|3,0,0]=3 32 B12R1.35 CCCCNC(=O)c1ccon1 WXVL_AK00588SC0116 [0,0,0,0,0,0|3,0,0]=3 33 B12R1.35 CCCCNC(=O)c1ccon1 WXVL_AK00588SC0116 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.35 CCCCNC(=O)c1ccsc1 WXVL_AK00588SC0054 [0,0,0,0,0,0|3,0,0]=3 35 B12R1.35 CCCCNC(=O)c1ccsc1 WXVL_AK00588SC0054 [0,0,0,0,0,0|3,0,0]=3 36 B12R1.35 CCCCNC(=O)c1ccsn1 WXVL_AK00588SC0764 [0,0,0,0,0,0|3,0,0]=3 37 B12R1.35 CCCCNC(=O)c1ccsn1 WXVL_AK00588SC0764 [0,0,0,0,0,0|3,0,0]=3 38 B12R1.35 CCCCNC(=O)c1cn[nH]c1 WXVL_AK00588SC0254 [0,0,0,0,0,0|4,0,0]=4 39 B12R1.35 CCCCNC(=O)c1cn[nH]c1 WXVL_AK00588SC0254 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.35 CCCCNC(=O)c1cnc[nH]1 WXVL_AK00588SC0247 [0,0,0,0,0,0|3,0,0]=3 41 B12R1.35 CCCCNC(=O)c1cnc[nH]1 WXVL_AK00588SC0247 [0,0,0,0,0,0|3,0,0]=3 42 B12R1.35 CCCCNC(=O)c1cnco1 WXVL_AK00588SC0018 [0,0,0,0,0,0|2,0,0]=2 43 B12R1.35 CCCCNC(=O)c1cnco1 WXVL_AK00588SC0018 [0,0,0,0,0,0|2,0,0]=2 44 B12R1.35 CCCCNC(=O)c1cncs1 WXVL_AK00588SC0113 [0,0,0,0,0,0|2,1,0]=3 45 B12R1.35 CCCCNC(=O)c1cncs1 WXVL_AK00588SC0113 [0,0,0,0,0,0|2,1,0]=3 46 B12R1.35 CCCCNC(=O)c1cnon1 WXVL_AK00588SC0777 [0,0,0,0,0,0|4,0,0]=4 47 B12R1.35 CCCCNC(=O)c1cnon1 WXVL_AK00588SC0777 [0,0,0,0,0,0|4,0,0]=4 48 B12R1.35 CCCCNC(=O)c1cnsn1 WXVL_AK00588SC1291 [0,0,0,0,0,0|4,0,0]=4 49 B12R1.35 CCCCNC(=O)c1cnsn1 WXVL_AK00588SC1291 [0,0,0,0,0,0|4,0,0]=4 50 B12R1.35 CCCCNC(=O)c1cocn1 WXVL_AK00588SC0118 [0,0,0,0,0,0|3,0,0]=3 51 B12R1.35 CCCCNC(=O)c1cocn1 WXVL_AK00588SC0118 [0,0,0,0,0,0|3,0,0]=3 52 B12R1.35 CCCCNC(=O)c1cscn1 WXVL_AK00588SC0092 [0,0,0,0,0,0|3,0,0]=3 53 B12R1.35 CCCCNC(=O)c1cscn1 WXVL_AK00588SC0092 [0,0,0,0,0,0|3,0,0]=3 54 B12R1.35 CCCCNC(=O)c1csnn1 WXVL_AK00588SC0002 [0,0,0,0,0,0|4,0,0]=4 55 B12R1.35 CCCCNC(=O)c1csnn1 WXVL_AK00588SC0002 [0,0,0,0,0,0|4,0,0]=4 56 B12R1.35 CCCCNC(=O)c1nc[nH]n1 WXVL_AK00588SC0376 [0,0,0,0,0,0|4,0,0]=4 57 B12R1.35 CCCCNC(=O)c1nc[nH]n1 WXVL_AK00588SC0376 [0,0,0,0,0,0|4,0,0]=4 58 B12R1.35 CCCCNC(=O)c1nccs1 WXVL_AK00588SC0110 [0,0,0,0,0,0|2,1,0]=3 59 B12R1.35 CCCCNC(=O)c1nccs1 WXVL_AK00588SC0110 [0,0,0,0,0,0|2,1,0]=3 60 B12R1.35 CCCCNC(=O)c1nnc[nH]1 WXVL_AK00588SC00053 [0,0,0,0,0,0|4,0,0]=4 61 B12R1.35 CCCCNC(=O)c1nnc[nH]1 WXVL_AK00588SC00053 [0,0,0,0,0,0|4,0,0]=4 62 B12R1.35 CSCCNC(=O)c1c[nH]cn1 WXVL_AK00440SC0074 [0,0,0,0,0,0|4,0,0]=4 63 B12R1.35 CSCCNC(=O)c1c[nH]cn1 WXVL_AK00440SC0074 [0,0,0,0,0,0|4,0,0]=4 64 B12R1.35 CSCCNC(=O)c1cc[nH]c1 WXVL_AK00440SC0013 [0,0,0,0,0,0|4,0,0]=4 65 B12R1.35 CSCCNC(=O)c1cc[nH]c1 WXVL_AK00440SC0013 [0,0,0,0,0,0|4,0,0]=4 66 B12R1.35 CSCCNC(=O)c1cc[nH]n1 WXVL_AK00440SC0003 [0,0,0,0,0,0|4,0,0]=4 67 B12R1.35 CSCCNC(=O)c1cc[nH]n1 WXVL_AK00440SC0003 [0,0,0,0,0,0|4,0,0]=4 68 B12R1.35 CSCCNC(=O)c1ccco1 WXVL_AK00440SC0049 [0,0,0,0,0,0|2,0,0]=2 69 B12R1.35 CSCCNC(=O)c1ccco1 WXVL_AK00440SC0049 [0,0,0,0,0,0|2,0,0]=2 70 B12R1.35 CSCCNC(=O)c1cccs1 WXVL_AK00440SC0051 [0,0,0,0,0,0|2,1,0]=3 71 B12R1.35 CSCCNC(=O)c1cccs1 WXVL_AK00440SC0051 [0,0,0,0,0,0|2,1,0]=3 72 B12R1.35 CSCCNC(=O)c1ccno1 WXVL_AK00440SC0080 [0,0,0,0,0,0|3,0,0]=3 73 B12R1.35 CSCCNC(=O)c1ccno1 WXVL_AK00440SC0080 [0,0,0,0,0,0|3,0,0]=3 74 B12R1.35 CSCCNC(=O)c1ccns1 WXVL_AK00440SC0027 [0,0,0,0,0,0|3,1,0]=4 75 B12R1.35 CSCCNC(=O)c1ccns1 WXVL_AK00440SC0027 [0,0,0,0,0,0|3,1,0]=4 76 B12R1.35 CSCCNC(=O)c1ccoc1 WXVL_AK00440SC0050 [0,0,0,0,0,0|4,0,0]=4 77 B12R1.35 CSCCNC(=O)c1ccoc1 WXVL_AK00440SC0050 [0,0,0,0,0,0|4,0,0]=4 78 B12R1.35 CSCCNC(=O)c1ccon1 WXVL_AK00440SC0116 [0,0,0,0,0,0|4,0,0]=4 79 B12R1.35 CSCCNC(=O)c1ccon1 WXVL_AK00440SC0116 [0,0,0,0,0,0|4,0,0]=4 80 B12R1.35 CSCCNC(=O)c1ccsc1 WXVL_AK00440SC0054 [0,0,0,0,0,0|4,0,0]=4 81 B12R1.35 CSCCNC(=O)c1ccsc1 WXVL_AK00440SC0054 [0,0,0,0,0,0|4,0,0]=4 82 B12R1.35 CSCCNC(=O)c1ccsn1 WXVL_AK00440SC0764 [0,0,0,0,0,0|4,0,0]=4 83 B12R1.35 CSCCNC(=O)c1ccsn1 WXVL_AK00440SC0764 [0,0,0,0,0,0|4,0,0]=4 84 B12R1.35 CSCCNC(=O)c1cnc[nH]1 WXVL_AK00440SC0247 [0,0,0,0,0,0|4,0,0]=4 85 B12R1.35 CSCCNC(=O)c1cnc[nH]1 WXVL_AK00440SC0247 [0,0,0,0,0,0|4,0,0]=4 86 B12R1.35 CSCCNC(=O)c1cnco1 WXVL_AK00440SC0018 [0,0,0,0,0,0|3,0,0]=3 87 B12R1.35 CSCCNC(=O)c1cnco1 WXVL_AK00440SC0018 [0,0,0,0,0,0|3,0,0]=3 88 B12R1.35 CSCCNC(=O)c1cncs1 WXVL_AK00440SC0113 [0,0,0,0,0,0|3,1,0]=4 89 B12R1.35 CSCCNC(=O)c1cncs1 WXVL_AK00440SC0113 [0,0,0,0,0,0|3,1,0]=4 90 B12R1.35 CSCCNC(=O)c1cocn1 WXVL_AK00440SC0118 [0,0,0,0,0,0|4,0,0]=4 91 B12R1.35 CSCCNC(=O)c1cocn1 WXVL_AK00440SC0118 [0,0,0,0,0,0|4,0,0]=4 92 B12R1.35 CSCCNC(=O)c1cscn1 WXVL_AK00440SC0092 [0,0,0,0,0,0|4,0,0]=4 93 B12R1.35 CSCCNC(=O)c1cscn1 WXVL_AK00440SC0092 [0,0,0,0,0,0|4,0,0]=4 94 B12R1.35 CSCCNC(=O)c1nccs1 WXVL_AK00440SC0110 [0,0,0,0,0,0|3,1,0]=4 95 B12R1.35 CSCCNC(=O)c1nccs1 WXVL_AK00440SC0110 [0,0,0,0,0,0|3,1,0]=4 96 B12R1.35 N#CCCNC(=O)c1ccco1 WXVL_AK0087SC0049 [0,0,0,0,0,0|2,0,1]=3 97 B12R1.35 N#CCCNC(=O)c1ccco1 WXVL_AK0087SC0049 [0,0,0,0,0,0|2,0,1]=3 98 B12R1.35 N#CCCNC(=O)c1cccs1 WXVL_AK0087SC0051 [0,0,0,0,0,0|2,1,1]=4 99 B12R1.35 N#CCCNC(=O)c1cccs1 WXVL_AK0087SC0051 [0,0,0,0,0,0|2,1,1]=4 100 B12R1.35 N#CCCNC(=O)c1ccno1 WXVL_AK0087SC0080 [0,0,0,0,0,0|3,0,1]=4 101 B12R1.35 N#CCCNC(=O)c1ccno1 WXVL_AK0087SC0080 [0,0,0,0,0,0|3,0,1]=4 102 B12R1.35 N#CCCNC(=O)c1cnco1 WXVL_AK0087SC0018 [0,0,0,0,0,0|3,0,1]=4 103 B12R1.35 N#CCCNC(=O)c1cnco1 WXVL_AK0087SC0018 [0,0,0,0,0,0|3,0,1]=4 104 B12R1.35 O=C(NCCCO)c1c[nH]cn1 WXVL_AK0073SC0074 [0,0,0,0,0,0|4,0,0]=4 105 B12R1.35 O=C(NCCCO)c1c[nH]cn1 WXVL_AK0073SC0074 [0,0,0,0,0,0|4,0,0]=4 106 B12R1.35 O=C(NCCCO)c1cc[nH]c1 WXVL_AK0073SC0013 [0,0,0,0,0,0|4,0,0]=4 107 B12R1.35 O=C(NCCCO)c1cc[nH]c1 WXVL_AK0073SC0013 [0,0,0,0,0,0|4,0,0]=4 108 B12R1.35 O=C(NCCCO)c1cc[nH]n1 WXVL_AK0073SC0003 [0,0,0,0,0,0|4,0,0]=4 109 B12R1.35 O=C(NCCCO)c1cc[nH]n1 WXVL_AK0073SC0003 [0,0,0,0,0,0|4,0,0]=4 110 B12R1.35 O=C(NCCCO)c1ccco1 WXVL_AK0073SC0049 [0,0,0,0,0,0|2,0,0]=2 111 B12R1.35 O=C(NCCCO)c1ccco1 WXVL_AK0073SC0049 [0,0,0,0,0,0|2,0,0]=2 112 B12R1.35 O=C(NCCCO)c1cccs1 WXVL_AK0073SC0051 [0,0,0,0,0,0|2,1,0]=3 113 B12R1.35 O=C(NCCCO)c1cccs1 WXVL_AK0073SC0051 [0,0,0,0,0,0|2,1,0]=3 114 B12R1.35 O=C(NCCCO)c1ccno1 WXVL_AK0073SC0080 [0,0,0,0,0,0|3,0,0]=3 115 B12R1.35 O=C(NCCCO)c1ccno1 WXVL_AK0073SC0080 [0,0,0,0,0,0|3,0,0]=3 116 B12R1.35 O=C(NCCCO)c1ccns1 WXVL_AK0073SC0027 [0,0,0,0,0,0|3,1,0]=4 117 B12R1.35 O=C(NCCCO)c1ccns1 WXVL_AK0073SC0027 [0,0,0,0,0,0|3,1,0]=4 118 B12R1.35 O=C(NCCCO)c1ccoc1 WXVL_AK0073SC0050 [0,0,0,0,0,0|4,0,0]=4 119 B12R1.35 O=C(NCCCO)c1ccoc1 WXVL_AK0073SC0050 [0,0,0,0,0,0|4,0,0]=4 120 B12R1.35 O=C(NCCCO)c1ccon1 WXVL_AK0073SC0116 [0,0,0,0,0,0|4,0,0]=4 121 B12R1.35 O=C(NCCCO)c1ccon1 WXVL_AK0073SC0116 [0,0,0,0,0,0|4,0,0]=4 122 B12R1.35 O=C(NCCCO)c1ccsc1 WXVL_AK0073SC0054 [0,0,0,0,0,0|4,0,0]=4 123 B12R1.35 O=C(NCCCO)c1ccsc1 WXVL_AK0073SC0054 [0,0,0,0,0,0|4,0,0]=4 124 B12R1.35 O=C(NCCCO)c1ccsn1 WXVL_AK0073SC0764 [0,0,0,0,0,0|4,0,0]=4 125 B12R1.35 O=C(NCCCO)c1ccsn1 WXVL_AK0073SC0764 [0,0,0,0,0,0|4,0,0]=4 126 B12R1.35 O=C(NCCCO)c1cnc[nH]1 WXVL_AK0073SC0247 [0,0,0,0,0,0|4,0,0]=4 127 B12R1.35 O=C(NCCCO)c1cnc[nH]1 WXVL_AK0073SC0247 [0,0,0,0,0,0|4,0,0]=4 128 B12R1.35 O=C(NCCCO)c1cnco1 WXVL_AK0073SC0018 [0,0,0,0,0,0|3,0,0]=3 129 B12R1.35 O=C(NCCCO)c1cnco1 WXVL_AK0073SC0018 [0,0,0,0,0,0|3,0,0]=3 130 B12R1.35 O=C(NCCCO)c1cncs1 WXVL_AK0073SC0113 [0,0,0,0,0,0|3,1,0]=4 131 B12R1.35 O=C(NCCCO)c1cncs1 WXVL_AK0073SC0113 [0,0,0,0,0,0|3,1,0]=4 132 B12R1.35 O=C(NCCCO)c1cocn1 WXVL_AK0073SC0118 [0,0,0,0,0,0|4,0,0]=4 133 B12R1.35 O=C(NCCCO)c1cocn1 WXVL_AK0073SC0118 [0,0,0,0,0,0|4,0,0]=4 134 B12R1.35 O=C(NCCCO)c1cscn1 WXVL_AK0073SC0092 [0,0,0,0,0,0|4,0,0]=4 135 B12R1.35 O=C(NCCCO)c1cscn1 WXVL_AK0073SC0092 [0,0,0,0,0,0|4,0,0]=4 136 B12R1.35 O=C(NCCCO)c1nccs1 WXVL_AK0073SC0110 [0,0,0,0,0,0|3,1,0]=4 137 B12R1.35 O=C(NCCCO)c1nccs1 WXVL_AK0073SC0110 [0,0,0,0,0,0|3,1,0]=4 138 B11R1.29 C=CCNC(=O)c1ccco1 WXVL_AK00561SC0049 [1,0,0,0,0,0|1,0,2]=4 139 B11R1.29 C=CCNC(=O)c1ccco1 WXVL_AK00561SC0049 [1,0,0,0,0,0|1,0,2]=4 140 B11R1.29 CCCNC(=O)c1c[nH]cn1 WXVL_AK00504SC0074 [1,0,0,0,0,0|3,0,0]=4 141 B11R1.29 CCCNC(=O)c1c[nH]cn1 WXVL_AK00504SC0074 [1,0,0,0,0,0|3,0,0]=4 142 B11R1.29 CCCNC(=O)c1cc[nH]c1 WXVL_AK00504SC0013 [1,0,0,0,0,0|3,0,0]=4 143 B11R1.29 CCCNC(=O)c1cc[nH]c1 WXVL_AK00504SC0013 [1,0,0,0,0,0|3,0,0]=4 144 B11R1.29 CCCNC(=O)c1cc[nH]n1 WXVL_AK00504SC0003 [1,0,0,0,0,0|3,0,0]=4 145 B11R1.29 CCCNC(=O)c1cc[nH]n1 WXVL_AK00504SC0003 [1,0,0,0,0,0|3,0,0]=4 146 B11R1.29 CCCNC(=O)c1ccco1 WXVL_AK00504SC0049 [1,0,0,0,0,0|1,0,0]=2 147 B11R1.29 CCCNC(=O)c1ccco1 WXVL_AK00504SC0049 [1,0,0,0,0,0|1,0,0]=2 148 B11R1.29 CCCNC(=O)c1cccs1 WXVL_AK00504SC0051 [1,0,0,0,0,0|1,1,0]=3 149 B11R1.29 CCCNC(=O)c1cccs1 WXVL_AK00504SC0051 [1,0,0,0,0,0|1,1,0]=3 150 B11R1.29 CCCNC(=O)c1ccno1 WXVL_AK00504SC0080 [1,0,0,0,0,0|2,0,0]=3 151 B11R1.29 CCCNC(=O)c1ccno1 WXVL_AK00504SC0080 [1,0,0,0,0,0|2,0,0]=3 152 B11R1.29 CCCNC(=O)c1ccns1 WXVL_AK00504SC0027 [1,0,0,0,0,0|2,1,0]=4 153 B11R1.29 CCCNC(=O)c1ccns1 WXVL_AK00504SC0027 [1,0,0,0,0,0|2,1,0]=4 154 B11R1.29 CCCNC(=O)c1ccoc1 WXVL_AK00504SC0050 [1,0,0,0,0,0|3,0,0]=4 155 B11R1.29 CCCNC(=O)c1ccoc1 WXVL_AK00504SC0050 [1,0,0,0,0,0|3,0,0]=4 156 B11R1.29 CCCNC(=O)c1ccon1 WXVL_AK00504SC0116 [1,0,0,0,0,0|3,0,0]=4 157 B11R1.29 CCCNC(=O)c1ccon1 WXVL_AK00504SC0116 [1,0,0,0,0,0|3,0,0]=4 158 B11R1.29 CCCNC(=O)c1ccsc1 WXVL_AK00504SC0054 [1,0,0,0,0,0|3,0,0]=4 159 B11R1.29 CCCNC(=O)c1ccsc1 WXVL_AK00504SC0054 [1,0,0,0,0,0|3,0,0]=4 160 B11R1.29 CCCNC(=O)c1ccsn1 WXVL_AK00504SC0764 [1,0,0,0,0,0|3,0,0]=4 161 B11R1.29 CCCNC(=O)c1ccsn1 WXVL_AK00504SC0764 [1,0,0,0,0,0|3,0,0]=4 162 B11R1.29 CCCNC(=O)c1cnc[nH]1 WXVL_AK00504SC0247 [1,0,0,0,0,0|3,0,0]=4 163 B11R1.29 CCCNC(=O)c1cnc[nH]1 WXVL_AK00504SC0247 [1,0,0,0,0,0|3,0,0]=4 164 B11R1.29 CCCNC(=O)c1cnco1 WXVL_AK00504SC0018 [1,0,0,0,0,0|2,0,0]=3 165 B11R1.29 CCCNC(=O)c1cnco1 WXVL_AK00504SC0018 [1,0,0,0,0,0|2,0,0]=3 166 B11R1.29 CCCNC(=O)c1cncs1 WXVL_AK00504SC0113 [1,0,0,0,0,0|2,1,0]=4 167 B11R1.29 CCCNC(=O)c1cncs1 WXVL_AK00504SC0113 [1,0,0,0,0,0|2,1,0]=4 168 B11R1.29 CCCNC(=O)c1cocn1 WXVL_AK00504SC0118 [1,0,0,0,0,0|3,0,0]=4 169 B11R1.29 CCCNC(=O)c1cocn1 WXVL_AK00504SC0118 [1,0,0,0,0,0|3,0,0]=4 170 B11R1.29 CCCNC(=O)c1cscn1 WXVL_AK00504SC0092 [1,0,0,0,0,0|3,0,0]=4 171 B11R1.29 CCCNC(=O)c1cscn1 WXVL_AK00504SC0092 [1,0,0,0,0,0|3,0,0]=4 172 B11R1.29 CCCNC(=O)c1nccs1 WXVL_AK00504SC0110 [1,0,0,0,0,0|2,1,0]=4 173 B11R1.29 CCCNC(=O)c1nccs1 WXVL_AK00504SC0110 [1,0,0,0,0,0|2,1,0]=4 174 B11R1.29 N#CCNC(=O)c1ccco1 WXVL_AK0683SC0049 [1,0,0,0,0,0|2,0,1]=4 175 B11R1.29 N#CCNC(=O)c1ccco1 WXVL_AK0683SC0049 [1,0,0,0,0,0|2,0,1]=4 176 B11R1.29 O=C(NCCF)c1ccco1 WXVL_AK00466SC0049 [1,0,0,0,0,0|2,0,0]=3 177 B11R1.29 O=C(NCCF)c1ccco1 WXVL_AK00466SC0049 [1,0,0,0,0,0|2,0,0]=3 178 B11R1.29 O=C(NCCF)c1cccs1 WXVL_AK00466SC0051 [1,0,0,0,0,0|2,1,0]=4 179 B11R1.29 O=C(NCCF)c1cccs1 WXVL_AK00466SC0051 [1,0,0,0,0,0|2,1,0]=4 180 B11R1.29 O=C(NCCF)c1ccno1 WXVL_AK00466SC0080 [1,0,0,0,0,0|3,0,0]=4 181 B11R1.29 O=C(NCCF)c1ccno1 WXVL_AK00466SC0080 [1,0,0,0,0,0|3,0,0]=4 182 B11R1.29 O=C(NCCF)c1cnco1 WXVL_AK00466SC0018 [1,0,0,0,0,0|3,0,0]=4 183 B11R1.29 O=C(NCCF)c1cnco1 WXVL_AK00466SC0018 [1,0,0,0,0,0|3,0,0]=4 184 B13R1.23 C#CCCNC(=O)c1ccc(o1)C WXVL_AK3109SC0005 [0,1,0,0,0,0|1,0,2]=4 185 B13R1.23 C#CCCNC(=O)c1ccc(o1)C WXVL_AK3109SC0005 [0,1,0,0,0,0|1,0,2]=4 186 B13R1.23 C#CCCNC(=O)c1ccc(o1)Cl WXVL_AK3109SC0926 [0,1,0,0,0,0|1,0,2]=4 187 B13R1.23 C#CCCNC(=O)c1ccc(o1)Cl WXVL_AK3109SC0926 [0,1,0,0,0,0|1,0,2]=4 188 B13R1.23 C=CCCNC(=O)c1ccc(o1)C WXVL_AK00138SC0005 [0,1,0,0,0,0|1,0,2]=4 189 B13R1.23 C=CCCNC(=O)c1ccc(o1)C WXVL_AK00138SC0005 [0,1,0,0,0,0|1,0,2]=4 190 B13R1.23 C=CCCNC(=O)c1ccc(o1)Cl WXVL_AK00138SC0926 [0,1,0,0,0,0|1,0,2]=4 191 B13R1.23 C=CCCNC(=O)c1ccc(o1)Cl WXVL_AK00138SC0926 [0,1,0,0,0,0|1,0,2]=4 192 B13R1.23 CCCCNC(=O)c1c[nH]c(c1)C WXVL_AK00588SC0298 [0,1,0,0,0,0|3,0,0]=4 193 B13R1.23 CCCCNC(=O)c1c[nH]c(c1)C WXVL_AK00588SC0298 [0,1,0,0,0,0|3,0,0]=4 194 B13R1.23 CCCCNC(=O)c1c[nH]c(n1)C WXVL_AK00588SC0009 [0,1,0,0,0,0|3,0,0]=4 195 B13R1.23 CCCCNC(=O)c1c[nH]c(n1)C WXVL_AK00588SC0009 [0,1,0,0,0,0|3,0,0]=4 196 B13R1.23 CCCCNC(=O)c1cc([nH]n1)C WXVL_AK00588SC0267 [0,1,0,0,0,0|3,0,0]=4 197 B13R1.23 CCCCNC(=O)c1cc([nH]n1)C WXVL_AK00588SC0267 [0,1,0,0,0,0|3,0,0]=4 198 B13R1.23 CCCCNC(=O)c1cc(c[nH]1)Br WXVL_AK00588SC0644 [0,1,0,0,0,0|2,0,0]=3 199 B13R1.23 CCCCNC(=O)c1cc(c[nH]1)Br WXVL_AK00588SC0644 [0,1,0,0,0,0|2,0,0]=3 200 B13R1.23 CCCCNC(=O)c1cc(c[nH]1)C WXVL_AK00588SC0830 [0,1,0,0,0,0|2,0,0]=3 201 B13R1.23 CCCCNC(=O)c1cc(c[nH]1)C WXVL_AK00588SC0830 [0,1,0,0,0,0|2,0,0]=3 202 B13R1.23 CCCCNC(=O)c1cc(c[nH]1)F WXVL_AK00588SC0334 [0,1,0,0,0,0|2,0,0]=3 203 B13R1.23 CCCCNC(=O)c1cc(c[nH]1)F WXVL_AK00588SC0334 [0,1,0,0,0,0|2,0,0]=3 204 B13R1.23 CCCCNC(=O)c1cc(cs1)Br WXVL_AK00588SC0188 [0,1,0,0,0,0|1,1,0]=3 205 B13R1.23 CCCCNC(=O)c1cc(cs1)Br WXVL_AK00588SC0188 [0,1,0,0,0,0|1,1,0]=3 206 B13R1.23 CCCCNC(=O)c1cc(cs1)C WXVL_AK00588SC0004 [0,1,0,0,0,0|1,1,0]=3 207 B13R1.23 CCCCNC(=O)c1cc(cs1)C WXVL_AK00588SC0004 [0,1,0,0,0,0|1,1,0]=3 208 B13R1.23 CCCCNC(=O)c1cc(n[nH]1)C WXVL_AK00588SC2215 [0,1,0,0,0,0|3,0,0]=4 209 B13R1.23 CCCCNC(=O)c1cc(n[nH]1)C WXVL_AK00588SC2215 [0,1,0,0,0,0|3,0,0]=4 210 B13R1.23 CCCCNC(=O)c1cc(no1)C WXVL_AK00588SC0089 [0,1,0,0,0,0|2,0,0]=3 211 B13R1.23 CCCCNC(=O)c1cc(no1)C WXVL_AK00588SC0089 [0,1,0,0,0,0|2,0,0]=3 212 B13R1.23 CCCCNC(=O)c1cc(no1)O WXVL_AK00588SC0522 [0,1,0,0,0,0|2,0,0]=3 213 B13R1.23 CCCCNC(=O)c1cc(no1)O WXVL_AK00588SC0522 [0,1,0,0,0,0|2,0,0]=3 214 B13R1.23 CCCCNC(=O)c1cc(on1)C WXVL_AK00588SC0101 [0,1,0,0,0,0|3,0,0]=4 215 B13R1.23 CCCCNC(=O)c1cc(on1)C WXVL_AK00588SC0101 [0,1,0,0,0,0|3,0,0]=4 216 B13R1.23 CCCCNC(=O)c1ccc(o1)C WXVL_AK00588SC0005 [0,1,0,0,0,0|1,0,0]=2 217 B13R1.23 CCCCNC(=O)c1ccc(o1)C WXVL_AK00588SC0005 [0,1,0,0,0,0|1,0,0]=2 218 B13R1.23 CCCCNC(=O)c1ccc(o1)Cl WXVL_AK00588SC0926 [0,1,0,0,0,0|1,0,0]=2 219 B13R1.23 CCCCNC(=O)c1ccc(o1)Cl WXVL_AK00588SC0926 [0,1,0,0,0,0|1,0,0]=2 220 B13R1.23 CCCCNC(=O)c1ccc(s1)Br WXVL_AK00588SC0359 [0,1,0,0,0,0|1,1,0]=3 221 B13R1.23 CCCCNC(=O)c1ccc(s1)Br WXVL_AK00588SC0359 [0,1,0,0,0,0|1,1,0]=3 222 B13R1.23 CCCCNC(=O)c1ccc(s1)C WXVL_AK00588SC0053 [0,1,0,0,0,0|1,1,0]=3 223 B13R1.23 CCCCNC(=O)c1ccc(s1)C WXVL_AK00588SC0053 [0,1,0,0,0,0|1,1,0]=3 224 B13R1.23 CCCCNC(=O)c1ccc(s1)Cl WXVL_AK00588SC0067 [0,1,0,0,0,0|1,1,0]=3 225 B13R1.23 CCCCNC(=O)c1ccc(s1)Cl WXVL_AK00588SC0067 [0,1,0,0,0,0|1,1,0]=3 226 B13R1.23 CCCCNC(=O)c1ccn(c1)C WXVL_AK00588SC0038 [0,1,0,0,0,0|3,0,0]=4 227 B13R1.23 CCCCNC(=O)c1ccn(c1)C WXVL_AK00588SC0038 [0,1,0,0,0,0|3,0,0]=4 228 B13R1.23 CCCCNC(=O)c1ccn(n1)C WXVL_AK00588SC0091 [0,1,0,0,0,0|3,0,0]=4 229 B13R1.23 CCCCNC(=O)c1ccn(n1)C WXVL_AK00588SC0091 [0,1,0,0,0,0|3,0,0]=4 230 B13R1.23 CCCCNC(=O)c1cn(cn1)C WXVL_AK00588SC0111 [0,1,0,0,0,0|3,0,0]=4 231 B13R1.23 CCCCNC(=O)c1cn(cn1)C WXVL_AK00588SC0111 [0,1,0,0,0,0|3,0,0]=4 232 B13R1.23 CCCCNC(=O)c1cnc([nH]1)O WXVL_AK00588SC0498 [0,1,0,0,0,0|3,0,0]=4 233 B13R1.23 CCCCNC(=O)c1cnc([nH]1)O WXVL_AK00588SC0498 [0,1,0,0,0,0|3,0,0]=4 234 B13R1.23 CCCCNC(=O)c1cnc(o1)Br WXVL_AK00588SC0815 [0,1,0,0,0,0|2,0,0]=3 235 B13R1.23 CCCCNC(=O)c1cnc(o1)Br WXVL_AK00588SC0815 [0,1,0,0,0,0|2,0,0]=3 236 B13R1.23 CCCCNC(=O)c1cnc(s1)Br WXVL_AK00588SC0723 [0,1,0,0,0,0|2,1,0]=4 237 B13R1.23 CCCCNC(=O)c1cnc(s1)Br WXVL_AK00588SC0723 [0,1,0,0,0,0|2,1,0]=4 238 B13R1.23 CCCCNC(=O)c1cnc(s1)C WXVL_AK00588SC0326 [0,1,0,0,0,0|2,1,0]=4 239 B13R1.23 CCCCNC(=O)c1cnc(s1)C WXVL_AK00588SC0326 [0,1,0,0,0,0|2,1,0]=4 240 B13R1.23 CCCCNC(=O)c1cnc(s1)Cl WXVL_AK00588SC0638 [0,1,0,0,0,0|2,1,0]=4 241 B13R1.23 CCCCNC(=O)c1cnc(s1)Cl WXVL_AK00588SC0638 [0,1,0,0,0,0|2,1,0]=4 242 B13R1.23 CCCCNC(=O)c1coc(n1)C WXVL_AK00588SC0086 [0,1,0,0,0,0|3,0,0]=4 243 B13R1.23 CCCCNC(=O)c1coc(n1)C WXVL_AK00588SC0086 [0,1,0,0,0,0|3,0,0]=4 244 B13R1.23 CCCCNC(=O)c1coc(n1)Cl WXVL_AK00588SC1341 [0,1,0,0,0,0|3,0,0]=4 245 B13R1.23 CCCCNC(=O)c1coc(n1)Cl WXVL_AK00588SC1341 [0,1,0,0,0,0|3,0,0]=4 246 B13R1.23 CCCCNC(=O)c1csc(c1)Br WXVL_AK00588SC0189 [0,1,0,0,0,0|3,0,0]=4 247 B13R1.23 CCCCNC(=O)c1csc(c1)Br WXVL_AK00588SC0189 [0,1,0,0,0,0|3,0,0]=4 248 B13R1.23 CCCCNC(=O)c1csc(n1)C WXVL_AK00588SC0112 [0,1,0,0,0,0|3,0,0]=4 249 B13R1.23 CCCCNC(=O)c1csc(n1)C WXVL_AK00588SC0112 [0,1,0,0,0,0|3,0,0]=4 250 B13R1.23 CCCCNC(=O)c1csc(n1)Cl WXVL_AK00588SC0688 [0,1,0,0,0,0|3,0,0]=4 251 B13R1.23 CCCCNC(=O)c1csc(n1)Cl WXVL_AK00588SC0688 [0,1,0,0,0,0|3,0,0]=4 252 B13R1.23 CCCCNC(=O)c1nc(cs1)Br WXVL_AK00588SC0687 [0,1,0,0,0,0|2,1,0]=4 253 B13R1.23 CCCCNC(=O)c1nc(cs1)Br WXVL_AK00588SC0687 [0,1,0,0,0,0|2,1,0]=4 254 B13R1.23 CCCCNC(=O)c1nc(cs1)C WXVL_AK00588SC0538 [0,1,0,0,0,0|2,1,0]=4 255 B13R1.23 CCCCNC(=O)c1nc(cs1)C WXVL_AK00588SC0538 [0,1,0,0,0,0|2,1,0]=4 256 B13R1.23 CCCCNC(=O)c1ncc(s1)C WXVL_AK00588SC0031 [0,1,0,0,0,0|2,1,0]=4 257 B13R1.23 CCCCNC(=O)c1ncc(s1)C WXVL_AK00588SC0031 [0,1,0,0,0,0|2,1,0]=4 258 B13R1.23 CSCCNC(=O)c1cc(c[nH]1)Br WXVL_AK00440SC0644 [0,1,0,0,0,0|3,0,0]=4 259 B13R1.23 CSCCNC(=O)c1cc(c[nH]1)Br WXVL_AK00440SC0644 [0,1,0,0,0,0|3,0,0]=4 260 B13R1.23 CSCCNC(=O)c1cc(c[nH]1)C WXVL_AK00440SC0830 [0,1,0,0,0,0|3,0,0]=4 261 B13R1.23 CSCCNC(=O)c1cc(c[nH]1)C WXVL_AK00440SC0830 [0,1,0,0,0,0|3,0,0]=4 262 B13R1.23 CSCCNC(=O)c1cc(c[nH]1)F WXVL_AK00440SC0334 [0,1,0,0,0,0|3,0,0]=4 263 B13R1.23 CSCCNC(=O)c1cc(c[nH]1)F WXVL_AK00440SC0334 [0,1,0,0,0,0|3,0,0]=4 264 B13R1.23 CSCCNC(=O)c1cc(cs1)Br WXVL_AK00440SC0188 [0,1,0,0,0,0|2,1,0]=4 265 B13R1.23 CSCCNC(=O)c1cc(cs1)Br WXVL_AK00440SC0188 [0,1,0,0,0,0|2,1,0]=4 266 B13R1.23 CSCCNC(=O)c1cc(cs1)C WXVL_AK00440SC0004 [0,1,0,0,0,0|2,1,0]=4 267 B13R1.23 CSCCNC(=O)c1cc(cs1)C WXVL_AK00440SC0004 [0,1,0,0,0,0|2,1,0]=4 268 B13R1.23 CSCCNC(=O)c1cc(no1)C WXVL_AK00440SC0089 [0,1,0,0,0,0|3,0,0]=4 269 B13R1.23 CSCCNC(=O)c1cc(no1)C WXVL_AK00440SC0089 [0,1,0,0,0,0|3,0,0]=4 270 B13R1.23 CSCCNC(=O)c1cc(no1)O WXVL_AK00440SC0522 [0,1,0,0,0,0|3,0,0]=4 271 B13R1.23 CSCCNC(=O)c1cc(no1)O WXVL_AK00440SC0522 [0,1,0,0,0,0|3,0,0]=4 272 B13R1.23 CSCCNC(=O)c1ccc(o1)C WXVL_AK00440SC0005 [0,1,0,0,0,0|2,0,0]=3 273 B13R1.23 CSCCNC(=O)c1ccc(o1)C WXVL_AK00440SC0005 [0,1,0,0,0,0|2,0,0]=3 274 B13R1.23 CSCCNC(=O)c1ccc(o1)Cl WXVL_AK00440SC0926 [0,1,0,0,0,0|2,0,0]=3 275 B13R1.23 CSCCNC(=O)c1ccc(o1)Cl WXVL_AK00440SC0926 [0,1,0,0,0,0|2,0,0]=3 276 B13R1.23 CSCCNC(=O)c1ccc(s1)Br WXVL_AK00440SC0359 [0,1,0,0,0,0|2,1,0]=4 277 B13R1.23 CSCCNC(=O)c1ccc(s1)Br WXVL_AK00440SC0359 [0,1,0,0,0,0|2,1,0]=4 278 B13R1.23 CSCCNC(=O)c1ccc(s1)C WXVL_AK00440SC0053 [0,1,0,0,0,0|2,1,0]=4 279 B13R1.23 CSCCNC(=O)c1ccc(s1)C WXVL_AK00440SC0053 [0,1,0,0,0,0|2,1,0]=4 280 B13R1.23 CSCCNC(=O)c1ccc(s1)Cl WXVL_AK00440SC0067 [0,1,0,0,0,0|2,1,0]=4 281 B13R1.23 CSCCNC(=O)c1ccc(s1)Cl WXVL_AK00440SC0067 [0,1,0,0,0,0|2,1,0]=4 282 B13R1.23 CSCCNC(=O)c1cnc(o1)Br WXVL_AK00440SC0815 [0,1,0,0,0,0|3,0,0]=4 283 B13R1.23 CSCCNC(=O)c1cnc(o1)Br WXVL_AK00440SC0815 [0,1,0,0,0,0|3,0,0]=4 284 B13R1.23 Cc1c[nH]c(c1)C(=O)NCCCO WXVL_AK0073SC0830 [0,1,0,0,0,0|3,0,0]=4 285 B13R1.23 Cc1c[nH]c(c1)C(=O)NCCCO WXVL_AK0073SC0830 [0,1,0,0,0,0|3,0,0]=4 286 B13R1.23 Cc1cc(on1)C(=O)NCCCO WXVL_AK0073SC0089 [0,1,0,0,0,0|3,0,0]=4 287 B13R1.23 Cc1cc(on1)C(=O)NCCCO WXVL_AK0073SC0089 [0,1,0,0,0,0|3,0,0]=4 288 B13R1.23 Cc1ccc(o1)C(=O)NCCC#N WXVL_AK0087SC0005 [0,1,0,0,0,0|2,0,1]=4 289 B13R1.23 Cc1ccc(o1)C(=O)NCCC#N WXVL_AK0087SC0005 [0,1,0,0,0,0|2,0,1]=4 290 B13R1.23 Cc1ccc(o1)C(=O)NCCCO WXVL_AK0073SC0005 [0,1,0,0,0,0|2,0,0]=3 291 B13R1.23 Cc1ccc(o1)C(=O)NCCCO WXVL_AK0073SC0005 [0,1,0,0,0,0|2,0,0]=3 292 B13R1.23 Cc1ccc(s1)C(=O)NCCCO WXVL_AK0073SC0053 [0,1,0,0,0,0|2,1,0]=4 293 B13R1.23 Cc1ccc(s1)C(=O)NCCCO WXVL_AK0073SC0053 [0,1,0,0,0,0|2,1,0]=4 294 B13R1.23 Cc1csc(c1)C(=O)NCCCO WXVL_AK0073SC0004 [0,1,0,0,0,0|2,1,0]=4 295 B13R1.23 Cc1csc(c1)C(=O)NCCCO WXVL_AK0073SC0004 [0,1,0,0,0,0|2,1,0]=4 296 B13R1.23 N#CCCNC(=O)c1ccc(o1)Cl WXVL_AK0087SC0926 [0,1,0,0,0,0|2,0,1]=4 297 B13R1.23 N#CCCNC(=O)c1ccc(o1)Cl WXVL_AK0087SC0926 [0,1,0,0,0,0|2,0,1]=4 298 B13R1.23 O=C(NCCCO)c1cc(c[nH]1)Br WXVL_AK0073SC0644 [0,1,0,0,0,0|3,0,0]=4 299 B13R1.23 O=C(NCCCO)c1cc(c[nH]1)Br WXVL_AK0073SC0644 [0,1,0,0,0,0|3,0,0]=4 300 B13R1.23 O=C(NCCCO)c1cc(c[nH]1)F WXVL_AK0073SC0334 [0,1,0,0,0,0|3,0,0]=4 301 B13R1.23 O=C(NCCCO)c1cc(c[nH]1)F WXVL_AK0073SC0334 [0,1,0,0,0,0|3,0,0]=4 302 B13R1.23 O=C(NCCCO)c1cc(cs1)Br WXVL_AK0073SC0188 [0,1,0,0,0,0|2,1,0]=4 303 B13R1.23 O=C(NCCCO)c1cc(cs1)Br WXVL_AK0073SC0188 [0,1,0,0,0,0|2,1,0]=4 304 B13R1.23 O=C(NCCCO)c1cc(no1)O WXVL_AK0073SC0522 [0,1,0,0,0,0|3,0,0]=4 305 B13R1.23 O=C(NCCCO)c1cc(no1)O WXVL_AK0073SC0522 [0,1,0,0,0,0|3,0,0]=4 306 B13R1.23 O=C(NCCCO)c1ccc(o1)Cl WXVL_AK0073SC0926 [0,1,0,0,0,0|2,0,0]=3 307 B13R1.23 O=C(NCCCO)c1ccc(o1)Cl WXVL_AK0073SC0926 [0,1,0,0,0,0|2,0,0]=3 308 B13R1.23 O=C(NCCCO)c1ccc(s1)Br WXVL_AK0073SC0359 [0,1,0,0,0,0|2,1,0]=4 309 B13R1.23 O=C(NCCCO)c1ccc(s1)Br WXVL_AK0073SC0359 [0,1,0,0,0,0|2,1,0]=4 310 B13R1.23 O=C(NCCCO)c1ccc(s1)Cl WXVL_AK0073SC0067 [0,1,0,0,0,0|2,1,0]=4 311 B13R1.23 O=C(NCCCO)c1ccc(s1)Cl WXVL_AK0073SC0067 [0,1,0,0,0,0|2,1,0]=4 312 B13R1.23 O=C(NCCCO)c1cnc(o1)Br WXVL_AK0073SC0815 [0,1,0,0,0,0|3,0,0]=4 313 B13R1.23 O=C(NCCCO)c1cnc(o1)Br WXVL_AK0073SC0815 [0,1,0,0,0,0|3,0,0]=4 314 B13R1.33 CC(CCO)NC(=O)c1ccco1 WXVL_AK1288SC0049 [0,1,0,0,0,0|2,0,0]=3 315 B13R1.33 CC(CCO)NC(=O)c1ccco1 WXVL_AK1288SC0049 [0,1,0,0,0,0|2,0,0]=3 316 B13R1.33 CC(CCO)NC(=O)c1cccs1 WXVL_AK1288SC0051 [0,1,0,0,0,0|2,1,0]=4 317 B13R1.33 CC(CCO)NC(=O)c1cccs1 WXVL_AK1288SC0051 [0,1,0,0,0,0|2,1,0]=4 318 B13R1.33 CC(CCO)NC(=O)c1ccno1 WXVL_AK1288SC0080 [0,1,0,0,0,0|3,0,0]=4 319 B13R1.33 CC(CCO)NC(=O)c1ccno1 WXVL_AK1288SC0080 [0,1,0,0,0,0|3,0,0]=4 320 B13R1.33 CC(CCO)NC(=O)c1cnco1 WXVL_AK1288SC0018 [0,1,0,0,0,0|3,0,0]=4 321 B13R1.33 CC(CCO)NC(=O)c1cnco1 WXVL_AK1288SC0018 [0,1,0,0,0,0|3,0,0]=4 322 B13R1.33 CCC[C@H](C)NC(=O)c1c[nH]cn1 WXVL_AK00682SC0074 [0,1,0,0,0,0|3,0,0]=4 323 B13R1.33 CCC[C@H](C)NC(=O)c1c[nH]cn1 WXVL_AK00682SC0074 [0,1,0,0,0,0|3,0,0]=4 324 B13R1.33 CCC[C@H](C)NC(=O)c1cc[nH]c1 WXVL_AK00682SC0013 [0,1,0,0,0,0|3,0,0]=4 325 B13R1.33 CCC[C@H](C)NC(=O)c1cc[nH]c1 WXVL_AK00682SC0013 [0,1,0,0,0,0|3,0,0]=4 326 B13R1.33 CCC[C@H](C)NC(=O)c1cc[nH]n1 WXVL_AK00682SC0003 [0,1,0,0,0,0|3,0,0]=4 327 B13R1.33 CCC[C@H](C)NC(=O)c1cc[nH]n1 WXVL_AK00682SC0003 [0,1,0,0,0,0|3,0,0]=4 328 B13R1.33 CCC[C@H](C)NC(=O)c1ccco1 WXVL_AK00682SC0049 [0,1,0,0,0,0|1,0,0]=2 329 B13R1.33 CCC[C@H](C)NC(=O)c1ccco1 WXVL_AK00682SC0049 [0,1,0,0,0,0|1,0,0]=2 330 B13R1.33 CCC[C@H](C)NC(=O)c1cccs1 WXVL_AK00682SC0051 [0,1,0,0,0,0|1,1,0]=3 331 B13R1.33 CCC[C@H](C)NC(=O)c1cccs1 WXVL_AK00682SC0051 [0,1,0,0,0,0|1,1,0]=3 332 B13R1.33 CCC[C@H](C)NC(=O)c1ccno1 WXVL_AK00682SC0080 [0,1,0,0,0,0|2,0,0]=3 333 B13R1.33 CCC[C@H](C)NC(=O)c1ccno1 WXVL_AK00682SC0080 [0,1,0,0,0,0|2,0,0]=3 334 B13R1.33 CCC[C@H](C)NC(=O)c1ccns1 WXVL_AK00682SC0027 [0,1,0,0,0,0|2,1,0]=4 335 B13R1.33 CCC[C@H](C)NC(=O)c1ccns1 WXVL_AK00682SC0027 [0,1,0,0,0,0|2,1,0]=4 336 B13R1.33 CCC[C@H](C)NC(=O)c1ccoc1 WXVL_AK00682SC0050 [0,1,0,0,0,0|3,0,0]=4 337 B13R1.33 CCC[C@H](C)NC(=O)c1ccoc1 WXVL_AK00682SC0050 [0,1,0,0,0,0|3,0,0]=4 338 B13R1.33 CCC[C@H](C)NC(=O)c1ccon1 WXVL_AK00682SC0116 [0,1,0,0,0,0|3,0,0]=4 339 B13R1.33 CCC[C@H](C)NC(=O)c1ccon1 WXVL_AK00682SC0116 [0,1,0,0,0,0|3,0,0]=4 340 B13R1.33 CCC[C@H](C)NC(=O)c1ccsc1 WXVL_AK00682SC0054 [0,1,0,0,0,0|3,0,0]=4 341 B13R1.33 CCC[C@H](C)NC(=O)c1ccsc1 WXVL_AK00682SC0054 [0,1,0,0,0,0|3,0,0]=4 342 B13R1.33 CCC[C@H](C)NC(=O)c1ccsn1 WXVL_AK00682SC0764 [0,1,0,0,0,0|3,0,0]=4 343 B13R1.33 CCC[C@H](C)NC(=O)c1ccsn1 WXVL_AK00682SC0764 [0,1,0,0,0,0|3,0,0]=4 344 B13R1.33 CCC[C@H](C)NC(=O)c1cnc[nH]1 WXVL_AK00682SC0247 [0,1,0,0,0,0|3,0,0]=4 345 B13R1.33 CCC[C@H](C)NC(=O)c1cnc[nH]1 WXVL_AK00682SC0247 [0,1,0,0,0,0|3,0,0]=4 346 B13R1.33 CCC[C@H](C)NC(=O)c1cnco1 WXVL_AK00682SC0018 [0,1,0,0,0,0|2,0,0]=3 347 B13R1.33 CCC[C@H](C)NC(=O)c1cnco1 WXVL_AK00682SC0018 [0,1,0,0,0,0|2,0,0]=3 348 B13R1.33 CCC[C@H](C)NC(=O)c1cncs1 WXVL_AK00682SC0113 [0,1,0,0,0,0|2,1,0]=4 349 B13R1.33 CCC[C@H](C)NC(=O)c1cncs1 WXVL_AK00682SC0113 [0,1,0,0,0,0|2,1,0]=4 350 B13R1.33 CCC[C@H](C)NC(=O)c1cocn1 WXVL_AK00682SC0118 [0,1,0,0,0,0|3,0,0]=4 351 B13R1.33 CCC[C@H](C)NC(=O)c1cocn1 WXVL_AK00682SC0118 [0,1,0,0,0,0|3,0,0]=4 352 B13R1.33 CCC[C@H](C)NC(=O)c1cscn1 WXVL_AK00682SC0092 [0,1,0,0,0,0|3,0,0]=4 353 B13R1.33 CCC[C@H](C)NC(=O)c1cscn1 WXVL_AK00682SC0092 [0,1,0,0,0,0|3,0,0]=4 354 B13R1.33 CCC[C@H](C)NC(=O)c1nccs1 WXVL_AK00682SC0110 [0,1,0,0,0,0|2,1,0]=4 355 B13R1.33 CCC[C@H](C)NC(=O)c1nccs1 WXVL_AK00682SC0110 [0,1,0,0,0,0|2,1,0]=4 356 B13R1.33 COC[C@@H](C)NC(=O)c1ccco1 WXVL_AK00613SC0049 [0,1,0,0,0,0|2,0,0]=3 357 B13R1.33 COC[C@@H](C)NC(=O)c1ccco1 WXVL_AK00613SC0049 [0,1,0,0,0,0|2,0,0]=3 358 B13R1.33 COC[C@@H](C)NC(=O)c1cccs1 WXVL_AK00613SC0051 [0,1,0,0,0,0|2,1,0]=4 359 B13R1.33 COC[C@@H](C)NC(=O)c1cccs1 WXVL_AK00613SC0051 [0,1,0,0,0,0|2,1,0]=4 360 B13R1.33 COC[C@@H](C)NC(=O)c1ccno1 WXVL_AK00613SC0080 [0,1,0,0,0,0|3,0,0]=4 361 B13R1.33 COC[C@@H](C)NC(=O)c1ccno1 WXVL_AK00613SC0080 [0,1,0,0,0,0|3,0,0]=4 362 B13R1.33 COC[C@@H](C)NC(=O)c1cnco1 WXVL_AK00613SC0018 [0,1,0,0,0,0|3,0,0]=4 363 B13R1.33 COC[C@@H](C)NC(=O)c1cnco1 WXVL_AK00613SC0018 [0,1,0,0,0,0|3,0,0]=4 364 B13R1.33 COC[C@H](C)NC(=O)c1ccco1 WXVL_AK0137SC0049 [0,1,0,0,0,0|2,0,0]=3 365 B13R1.33 COC[C@H](C)NC(=O)c1ccco1 WXVL_AK0137SC0049 [0,1,0,0,0,0|2,0,0]=3 366 B13R1.33 COC[C@H](C)NC(=O)c1cccs1 WXVL_AK0137SC0051 [0,1,0,0,0,0|2,1,0]=4 367 B13R1.33 COC[C@H](C)NC(=O)c1cccs1 WXVL_AK0137SC0051 [0,1,0,0,0,0|2,1,0]=4 368 B13R1.33 COC[C@H](C)NC(=O)c1ccno1 WXVL_AK0137SC0080 [0,1,0,0,0,0|3,0,0]=4 369 B13R1.33 COC[C@H](C)NC(=O)c1ccno1 WXVL_AK0137SC0080 [0,1,0,0,0,0|3,0,0]=4 370 B13R1.33 COC[C@H](C)NC(=O)c1cnco1 WXVL_AK0137SC0018 [0,1,0,0,0,0|3,0,0]=4 371 B13R1.33 COC[C@H](C)NC(=O)c1cnco1 WXVL_AK0137SC0018 [0,1,0,0,0,0|3,0,0]=4 372 B13R1.33 C[C@@H](CC#N)NC(=O)c1ccco1 WXVL_AK00595SC0049 [0,1,0,0,0,0|2,0,1]=4 373 B13R1.33 C[C@@H](CC#N)NC(=O)c1ccco1 WXVL_AK00595SC0049 [0,1,0,0,0,0|2,0,1]=4 374 B13R1.48 C#CCCCNC(=O)c1ccco1 WXVL_AK00218SC0049 [0,1,0,0,0,0|0,0,2]=3 375 B13R1.48 C#CCCCNC(=O)c1ccco1 WXVL_AK00218SC0049 [0,1,0,0,0,0|0,0,2]=3 376 B13R1.48 C#CCCCNC(=O)c1cccs1 WXVL_AK00218SC0051 [0,1,0,0,0,0|0,1,2]=4 377 B13R1.48 C#CCCCNC(=O)c1cccs1 WXVL_AK00218SC0051 [0,1,0,0,0,0|0,1,2]=4 378 B13R1.48 C#CCCCNC(=O)c1ccno1 WXVL_AK00218SC0080 [0,1,0,0,0,0|1,0,2]=4 379 B13R1.48 C#CCCCNC(=O)c1ccno1 WXVL_AK00218SC0080 [0,1,0,0,0,0|1,0,2]=4 380 B13R1.48 C#CCCCNC(=O)c1cnco1 WXVL_AK00218SC0018 [0,1,0,0,0,0|1,0,2]=4 381 B13R1.48 C#CCCCNC(=O)c1cnco1 WXVL_AK00218SC0018 [0,1,0,0,0,0|1,0,2]=4 382 B13R1.48 CCCCCNC(=O)c1c[nH]cn1 WXVL_AK0076SC0074 [0,1,0,0,0,0|2,0,0]=3 383 B13R1.48 CCCCCNC(=O)c1c[nH]cn1 WXVL_AK0076SC0074 [0,1,0,0,0,0|2,0,0]=3 384 B13R1.48 CCCCCNC(=O)c1cc[nH]c1 WXVL_AK0076SC0013 [0,1,0,0,0,0|2,0,0]=3 385 B13R1.48 CCCCCNC(=O)c1cc[nH]c1 WXVL_AK0076SC0013 [0,1,0,0,0,0|2,0,0]=3 386 B13R1.48 CCCCCNC(=O)c1cc[nH]n1 WXVL_AK0076SC0003 [0,1,0,0,0,0|2,0,0]=3 387 B13R1.48 CCCCCNC(=O)c1cc[nH]n1 WXVL_AK0076SC0003 [0,1,0,0,0,0|2,0,0]=3 388 B13R1.48 CCCCCNC(=O)c1ccco1 WXVL_AK0076SC0049 [0,1,0,0,0,0|0,0,0]=1 389 B13R1.48 CCCCCNC(=O)c1ccco1 WXVL_AK0076SC0049 [0,1,0,0,0,0|0,0,0]=1 390 B13R1.48 CCCCCNC(=O)c1cccs1 WXVL_AK0076SC0051 [0,1,0,0,0,0|0,1,0]=2 391 B13R1.48 CCCCCNC(=O)c1cccs1 WXVL_AK0076SC0051 [0,1,0,0,0,0|0,1,0]=2 392 B13R1.48 CCCCCNC(=O)c1ccno1 WXVL_AK0076SC0080 [0,1,0,0,0,0|1,0,0]=2 393 B13R1.48 CCCCCNC(=O)c1ccno1 WXVL_AK0076SC0080 [0,1,0,0,0,0|1,0,0]=2 394 B13R1.48 CCCCCNC(=O)c1ccns1 WXVL_AK0076SC0027 [0,1,0,0,0,0|1,1,0]=3 395 B13R1.48 CCCCCNC(=O)c1ccns1 WXVL_AK0076SC0027 [0,1,0,0,0,0|1,1,0]=3 396 B13R1.48 CCCCCNC(=O)c1ccoc1 WXVL_AK0076SC0050 [0,1,0,0,0,0|2,0,0]=3 397 B13R1.48 CCCCCNC(=O)c1ccoc1 WXVL_AK0076SC0050 [0,1,0,0,0,0|2,0,0]=3 398 B13R1.48 CCCCCNC(=O)c1ccon1 WXVL_AK0076SC0116 [0,1,0,0,0,0|2,0,0]=3 399 B13R1.48 CCCCCNC(=O)c1ccon1 WXVL_AK0076SC0116 [0,1,0,0,0,0|2,0,0]=3 400 B13R1.48 CCCCCNC(=O)c1ccsc1 WXVL_AK0076SC0054 [0,1,0,0,0,0|2,0,0]=3 401 B13R1.48 CCCCCNC(=O)c1ccsc1 WXVL_AK0076SC0054 [0,1,0,0,0,0|2,0,0]=3 402 B13R1.48 CCCCCNC(=O)c1ccsn1 WXVL_AK0076SC0764 [0,1,0,0,0,0|2,0,0]=3 403 B13R1.48 CCCCCNC(=O)c1ccsn1 WXVL_AK0076SC0764 [0,1,0,0,0,0|2,0,0]=3 404 B13R1.48 CCCCCNC(=O)c1cn[nH]c1 WXVL_AK0076SC0254 [0,1,0,0,0,0|3,0,0]=4 405 B13R1.48 CCCCCNC(=O)c1cn[nH]c1 WXVL_AK0076SC0254 [0,1,0,0,0,0|3,0,0]=4 406 B13R1.48 CCCCCNC(=O)c1cnc[nH]1 WXVL_AK0076SC0247 [0,1,0,0,0,0|2,0,0]=3 407 B13R1.48 CCCCCNC(=O)c1cnc[nH]1 WXVL_AK0076SC0247 [0,1,0,0,0,0|2,0,0]=3 408 B13R1.48 CCCCCNC(=O)c1cnco1 WXVL_AK0076SC0018 [0,1,0,0,0,0|1,0,0]=2 409 B13R1.48 CCCCCNC(=O)c1cnco1 WXVL_AK0076SC0018 [0,1,0,0,0,0|1,0,0]=2 410 B13R1.48 CCCCCNC(=O)c1cncs1 WXVL_AK0076SC0113 [0,1,0,0,0,0|1,1,0]=3 411 B13R1.48 CCCCCNC(=O)c1cncs1 WXVL_AK0076SC0113 [0,1,0,0,0,0|1,1,0]=3 412 B13R1.48 CCCCCNC(=O)c1cnon1 WXVL_AK0076SC0777 [0,1,0,0,0,0|3,0,0]=4 413 B13R1.48 CCCCCNC(=O)c1cnon1 WXVL_AK0076SC0777 [0,1,0,0,0,0|3,0,0]=4 414 B13R1.48 CCCCCNC(=O)c1cnsn1 WXVL_AK0076SC1291 [0,1,0,0,0,0|3,0,0]=4 415 B13R1.48 CCCCCNC(=O)c1cnsn1 WXVL_AK0076SC1291 [0,1,0,0,0,0|3,0,0]=4 416 B13R1.48 CCCCCNC(=O)c1cocn1 WXVL_AK0076SC0118 [0,1,0,0,0,0|2,0,0]=3 417 B13R1.48 CCCCCNC(=O)c1cocn1 WXVL_AK0076SC0118 [0,1,0,0,0,0|2,0,0]=3 418 B13R1.48 CCCCCNC(=O)c1cscn1 WXVL_AK0076SC0092 [0,1,0,0,0,0|2,0,0]=3 419 B13R1.48 CCCCCNC(=O)c1cscn1 WXVL_AK0076SC0092 [0,1,0,0,0,0|2,0,0]=3 420 B13R1.48 CCCCCNC(=O)c1csnn1 WXVL_AK0076SC0002 [0,1,0,0,0,0|3,0,0]=4 421 B13R1.48 CCCCCNC(=O)c1csnn1 WXVL_AK0076SC0002 [0,1,0,0,0,0|3,0,0]=4 422 B13R1.48 CCCCCNC(=O)c1nc[nH]n1 WXVL_AK0076SC0376 [0,1,0,0,0,0|3,0,0]=4 423 B13R1.48 CCCCCNC(=O)c1nc[nH]n1 WXVL_AK0076SC0376 [0,1,0,0,0,0|3,0,0]=4 424 B13R1.48 CCCCCNC(=O)c1nccs1 WXVL_AK0076SC0110 [0,1,0,0,0,0|1,1,0]=3 425 B13R1.48 CCCCCNC(=O)c1nccs1 WXVL_AK0076SC0110 [0,1,0,0,0,0|1,1,0]=3 426 B13R1.48 CCCCCNC(=O)c1nnc[nH]1 WXVL_AK0076SC00053 [0,1,0,0,0,0|3,0,0]=4 427 B13R1.48 CCCCCNC(=O)c1nnc[nH]1 WXVL_AK0076SC00053 [0,1,0,0,0,0|3,0,0]=4 428 B13R1.48 CCSCCNC(=O)c1c[nH]cn1 WXVL_AK00494SC0074 [0,1,0,0,0,0|3,0,0]=4 429 B13R1.48 CCSCCNC(=O)c1c[nH]cn1 WXVL_AK00494SC0074 [0,1,0,0,0,0|3,0,0]=4 430 B13R1.48 CCSCCNC(=O)c1cc[nH]c1 WXVL_AK00494SC0013 [0,1,0,0,0,0|3,0,0]=4 431 B13R1.48 CCSCCNC(=O)c1cc[nH]c1 WXVL_AK00494SC0013 [0,1,0,0,0,0|3,0,0]=4 432 B13R1.48 CCSCCNC(=O)c1cc[nH]n1 WXVL_AK00494SC0003 [0,1,0,0,0,0|3,0,0]=4 433 B13R1.48 CCSCCNC(=O)c1cc[nH]n1 WXVL_AK00494SC0003 [0,1,0,0,0,0|3,0,0]=4 434 B13R1.48 CCSCCNC(=O)c1ccco1 WXVL_AK00494SC0049 [0,1,0,0,0,0|1,0,0]=2 435 B13R1.48 CCSCCNC(=O)c1ccco1 WXVL_AK00494SC0049 [0,1,0,0,0,0|1,0,0]=2 436 B13R1.48 CCSCCNC(=O)c1cccs1 WXVL_AK00494SC0051 [0,1,0,0,0,0|1,1,0]=3 437 B13R1.48 CCSCCNC(=O)c1cccs1 WXVL_AK00494SC0051 [0,1,0,0,0,0|1,1,0]=3 438 B13R1.48 CCSCCNC(=O)c1ccno1 WXVL_AK00494SC0080 [0,1,0,0,0,0|2,0,0]=3 439 B13R1.48 CCSCCNC(=O)c1ccno1 WXVL_AK00494SC0080 [0,1,0,0,0,0|2,0,0]=3 440 B13R1.48 CCSCCNC(=O)c1ccns1 WXVL_AK00494SC0027 [0,1,0,0,0,0|2,1,0]=4 441 B13R1.48 CCSCCNC(=O)c1ccns1 WXVL_AK00494SC0027 [0,1,0,0,0,0|2,1,0]=4 442 B13R1.48 CCSCCNC(=O)c1ccoc1 WXVL_AK00494SC0050 [0,1,0,0,0,0|3,0,0]=4 443 B13R1.48 CCSCCNC(=O)c1ccoc1 WXVL_AK00494SC0050 [0,1,0,0,0,0|3,0,0]=4 444 B13R1.48 CCSCCNC(=O)c1ccon1 WXVL_AK00494SC0116 [0,1,0,0,0,0|3,0,0]=4 445 B13R1.48 CCSCCNC(=O)c1ccon1 WXVL_AK00494SC0116 [0,1,0,0,0,0|3,0,0]=4 446 B13R1.48 CCSCCNC(=O)c1ccsc1 WXVL_AK00494SC0054 [0,1,0,0,0,0|3,0,0]=4 447 B13R1.48 CCSCCNC(=O)c1ccsc1 WXVL_AK00494SC0054 [0,1,0,0,0,0|3,0,0]=4 448 B13R1.48 CCSCCNC(=O)c1ccsn1 WXVL_AK00494SC0764 [0,1,0,0,0,0|3,0,0]=4 449 B13R1.48 CCSCCNC(=O)c1ccsn1 WXVL_AK00494SC0764 [0,1,0,0,0,0|3,0,0]=4 450 B13R1.48 CCSCCNC(=O)c1cnc[nH]1 WXVL_AK00494SC0247 [0,1,0,0,0,0|3,0,0]=4 451 B13R1.48 CCSCCNC(=O)c1cnc[nH]1 WXVL_AK00494SC0247 [0,1,0,0,0,0|3,0,0]=4 452 B13R1.48 CCSCCNC(=O)c1cnco1 WXVL_AK00494SC0018 [0,1,0,0,0,0|2,0,0]=3 453 B13R1.48 CCSCCNC(=O)c1cnco1 WXVL_AK00494SC0018 [0,1,0,0,0,0|2,0,0]=3 454 B13R1.48 CCSCCNC(=O)c1cncs1 WXVL_AK00494SC0113 [0,1,0,0,0,0|2,1,0]=4 455 B13R1.48 CCSCCNC(=O)c1cncs1 WXVL_AK00494SC0113 [0,1,0,0,0,0|2,1,0]=4 456 B13R1.48 CCSCCNC(=O)c1cocn1 WXVL_AK00494SC0118 [0,1,0,0,0,0|3,0,0]=4 457 B13R1.48 CCSCCNC(=O)c1cocn1 WXVL_AK00494SC0118 [0,1,0,0,0,0|3,0,0]=4 458 B13R1.48 CCSCCNC(=O)c1cscn1 WXVL_AK00494SC0092 [0,1,0,0,0,0|3,0,0]=4 459 B13R1.48 CCSCCNC(=O)c1cscn1 WXVL_AK00494SC0092 [0,1,0,0,0,0|3,0,0]=4 460 B13R1.48 CCSCCNC(=O)c1nccs1 WXVL_AK00494SC0110 [0,1,0,0,0,0|2,1,0]=4 461 B13R1.48 CCSCCNC(=O)c1nccs1 WXVL_AK00494SC0110 [0,1,0,0,0,0|2,1,0]=4 462 B13R1.48 COCCCNC(=O)c1c[nH]cn1 WXVL_AK00637SC0074 [0,1,0,0,0,0|3,0,0]=4 463 B13R1.48 COCCCNC(=O)c1c[nH]cn1 WXVL_AK00637SC0074 [0,1,0,0,0,0|3,0,0]=4 464 B13R1.48 COCCCNC(=O)c1cc[nH]c1 WXVL_AK00637SC0013 [0,1,0,0,0,0|3,0,0]=4 465 B13R1.48 COCCCNC(=O)c1cc[nH]c1 WXVL_AK00637SC0013 [0,1,0,0,0,0|3,0,0]=4 466 B13R1.48 COCCCNC(=O)c1cc[nH]n1 WXVL_AK00637SC0003 [0,1,0,0,0,0|3,0,0]=4 467 B13R1.48 COCCCNC(=O)c1cc[nH]n1 WXVL_AK00637SC0003 [0,1,0,0,0,0|3,0,0]=4 468 B13R1.48 COCCCNC(=O)c1ccco1 WXVL_AK00637SC0049 [0,1,0,0,0,0|1,0,0]=2 469 B13R1.48 COCCCNC(=O)c1ccco1 WXVL_AK00637SC0049 [0,1,0,0,0,0|1,0,0]=2 470 B13R1.48 COCCCNC(=O)c1cccs1 WXVL_AK00637SC0051 [0,1,0,0,0,0|1,1,0]=3 471 B13R1.48 COCCCNC(=O)c1cccs1 WXVL_AK00637SC0051 [0,1,0,0,0,0|1,1,0]=3 472 B13R1.48 COCCCNC(=O)c1ccno1 WXVL_AK00637SC0080 [0,1,0,0,0,0|2,0,0]=3 473 B13R1.48 COCCCNC(=O)c1ccno1 WXVL_AK00637SC0080 [0,1,0,0,0,0|2,0,0]=3 474 B13R1.48 COCCCNC(=O)c1ccns1 WXVL_AK00637SC0027 [0,1,0,0,0,0|2,1,0]=4 475 B13R1.48 COCCCNC(=O)c1ccns1 WXVL_AK00637SC0027 [0,1,0,0,0,0|2,1,0]=4 476 B13R1.48 COCCCNC(=O)c1ccoc1 WXVL_AK00637SC0050 [0,1,0,0,0,0|3,0,0]=4 477 B13R1.48 COCCCNC(=O)c1ccoc1 WXVL_AK00637SC0050 [0,1,0,0,0,0|3,0,0]=4 478 B13R1.48 COCCCNC(=O)c1ccon1 WXVL_AK00637SC0116 [0,1,0,0,0,0|3,0,0]=4 479 B13R1.48 COCCCNC(=O)c1ccon1 WXVL_AK00637SC0116 [0,1,0,0,0,0|3,0,0]=4 480 B13R1.48 COCCCNC(=O)c1ccsc1 WXVL_AK00637SC0054 [0,1,0,0,0,0|3,0,0]=4 481 B13R1.48 COCCCNC(=O)c1ccsc1 WXVL_AK00637SC0054 [0,1,0,0,0,0|3,0,0]=4 482 B13R1.48 COCCCNC(=O)c1ccsn1 WXVL_AK00637SC0764 [0,1,0,0,0,0|3,0,0]=4 483 B13R1.48 COCCCNC(=O)c1ccsn1 WXVL_AK00637SC0764 [0,1,0,0,0,0|3,0,0]=4 484 B13R1.48 COCCCNC(=O)c1cnc[nH]1 WXVL_AK00637SC0247 [0,1,0,0,0,0|3,0,0]=4 485 B13R1.48 COCCCNC(=O)c1cnc[nH]1 WXVL_AK00637SC0247 [0,1,0,0,0,0|3,0,0]=4 486 B13R1.48 COCCCNC(=O)c1cnco1 WXVL_AK00637SC0018 [0,1,0,0,0,0|2,0,0]=3 487 B13R1.48 COCCCNC(=O)c1cnco1 WXVL_AK00637SC0018 [0,1,0,0,0,0|2,0,0]=3 488 B13R1.48 COCCCNC(=O)c1cncs1 WXVL_AK00637SC0113 [0,1,0,0,0,0|2,1,0]=4 489 B13R1.48 COCCCNC(=O)c1cncs1 WXVL_AK00637SC0113 [0,1,0,0,0,0|2,1,0]=4 490 B13R1.48 COCCCNC(=O)c1cocn1 WXVL_AK00637SC0118 [0,1,0,0,0,0|3,0,0]=4 491 B13R1.48 COCCCNC(=O)c1cocn1 WXVL_AK00637SC0118 [0,1,0,0,0,0|3,0,0]=4 492 B13R1.48 COCCCNC(=O)c1cscn1 WXVL_AK00637SC0092 [0,1,0,0,0,0|3,0,0]=4 493 B13R1.48 COCCCNC(=O)c1cscn1 WXVL_AK00637SC0092 [0,1,0,0,0,0|3,0,0]=4 494 B13R1.48 COCCCNC(=O)c1nccs1 WXVL_AK00637SC0110 [0,1,0,0,0,0|2,1,0]=4 495 B13R1.48 COCCCNC(=O)c1nccs1 WXVL_AK00637SC0110 [0,1,0,0,0,0|2,1,0]=4 496 B13R1.48 CSCCCNC(=O)c1c[nH]cn1 WXVL_AK0965SC0074 [0,1,0,0,0,0|3,0,0]=4 497 B13R1.48 CSCCCNC(=O)c1c[nH]cn1 WXVL_AK0965SC0074 [0,1,0,0,0,0|3,0,0]=4 498 B13R1.48 CSCCCNC(=O)c1cc[nH]c1 WXVL_AK0965SC0013 [0,1,0,0,0,0|3,0,0]=4 499 B13R1.48 CSCCCNC(=O)c1cc[nH]c1 WXVL_AK0965SC0013 [0,1,0,0,0,0|3,0,0]=4 500 B13R1.48 CSCCCNC(=O)c1cc[nH]n1 WXVL_AK0965SC0003 [0,1,0,0,0,0|3,0,0]=4 501 B13R1.48 CSCCCNC(=O)c1cc[nH]n1 WXVL_AK0965SC0003 [0,1,0,0,0,0|3,0,0]=4 502 B13R1.48 CSCCCNC(=O)c1ccco1 WXVL_AK0965SC0049 [0,1,0,0,0,0|1,0,0]=2 503 B13R1.48 CSCCCNC(=O)c1ccco1 WXVL_AK0965SC0049 [0,1,0,0,0,0|1,0,0]=2 504 B13R1.48 CSCCCNC(=O)c1cccs1 WXVL_AK0965SC0051 [0,1,0,0,0,0|1,1,0]=3 505 B13R1.48 CSCCCNC(=O)c1cccs1 WXVL_AK0965SC0051 [0,1,0,0,0,0|1,1,0]=3 506 B13R1.48 CSCCCNC(=O)c1ccno1 WXVL_AK0965SC0080 [0,1,0,0,0,0|2,0,0]=3 507 B13R1.48 CSCCCNC(=O)c1ccno1 WXVL_AK0965SC0080 [0,1,0,0,0,0|2,0,0]=3 508 B13R1.48 CSCCCNC(=O)c1ccns1 WXVL_AK0965SC0027 [0,1,0,0,0,0|2,1,0]=4 509 B13R1.48 CSCCCNC(=O)c1ccns1 WXVL_AK0965SC0027 [0,1,0,0,0,0|2,1,0]=4 510 B13R1.48 CSCCCNC(=O)c1ccoc1 WXVL_AK0965SC0050 [0,1,0,0,0,0|3,0,0]=4 511 B13R1.48 CSCCCNC(=O)c1ccoc1 WXVL_AK0965SC0050 [0,1,0,0,0,0|3,0,0]=4 512 B13R1.48 CSCCCNC(=O)c1ccon1 WXVL_AK0965SC0116 [0,1,0,0,0,0|3,0,0]=4 513 B13R1.48 CSCCCNC(=O)c1ccon1 WXVL_AK0965SC0116 [0,1,0,0,0,0|3,0,0]=4 514 B13R1.48 CSCCCNC(=O)c1ccsc1 WXVL_AK0965SC0054 [0,1,0,0,0,0|3,0,0]=4 515 B13R1.48 CSCCCNC(=O)c1ccsc1 WXVL_AK0965SC0054 [0,1,0,0,0,0|3,0,0]=4 516 B13R1.48 CSCCCNC(=O)c1ccsn1 WXVL_AK0965SC0764 [0,1,0,0,0,0|3,0,0]=4 517 B13R1.48 CSCCCNC(=O)c1ccsn1 WXVL_AK0965SC0764 [0,1,0,0,0,0|3,0,0]=4 518 B13R1.48 CSCCCNC(=O)c1cnc[nH]1 WXVL_AK0965SC0247 [0,1,0,0,0,0|3,0,0]=4 519 B13R1.48 CSCCCNC(=O)c1cnc[nH]1 WXVL_AK0965SC0247 [0,1,0,0,0,0|3,0,0]=4 520 B13R1.48 CSCCCNC(=O)c1cnco1 WXVL_AK0965SC0018 [0,1,0,0,0,0|2,0,0]=3 521 B13R1.48 CSCCCNC(=O)c1cnco1 WXVL_AK0965SC0018 [0,1,0,0,0,0|2,0,0]=3 522 B13R1.48 CSCCCNC(=O)c1cncs1 WXVL_AK0965SC0113 [0,1,0,0,0,0|2,1,0]=4 523 B13R1.48 CSCCCNC(=O)c1cncs1 WXVL_AK0965SC0113 [0,1,0,0,0,0|2,1,0]=4 524 B13R1.48 CSCCCNC(=O)c1cocn1 WXVL_AK0965SC0118 [0,1,0,0,0,0|3,0,0]=4 525 B13R1.48 CSCCCNC(=O)c1cocn1 WXVL_AK0965SC0118 [0,1,0,0,0,0|3,0,0]=4 526 B13R1.48 CSCCCNC(=O)c1cscn1 WXVL_AK0965SC0092 [0,1,0,0,0,0|3,0,0]=4 527 B13R1.48 CSCCCNC(=O)c1cscn1 WXVL_AK0965SC0092 [0,1,0,0,0,0|3,0,0]=4 528 B13R1.48 CSCCCNC(=O)c1nccs1 WXVL_AK0965SC0110 [0,1,0,0,0,0|2,1,0]=4 529 B13R1.48 CSCCCNC(=O)c1nccs1 WXVL_AK0965SC0110 [0,1,0,0,0,0|2,1,0]=4 530 B13R1.48 O=C(NCCCCO)c1c[nH]cn1 WXVL_AK0075SC0074 [0,1,0,0,0,0|3,0,0]=4 531 B13R1.48 O=C(NCCCCO)c1c[nH]cn1 WXVL_AK0075SC0074 [0,1,0,0,0,0|3,0,0]=4 532 B13R1.48 O=C(NCCCCO)c1cc[nH]c1 WXVL_AK0075SC0013 [0,1,0,0,0,0|3,0,0]=4 533 B13R1.48 O=C(NCCCCO)c1cc[nH]c1 WXVL_AK0075SC0013 [0,1,0,0,0,0|3,0,0]=4 534 B13R1.48 O=C(NCCCCO)c1cc[nH]n1 WXVL_AK0075SC0003 [0,1,0,0,0,0|3,0,0]=4 535 B13R1.48 O=C(NCCCCO)c1cc[nH]n1 WXVL_AK0075SC0003 [0,1,0,0,0,0|3,0,0]=4 536 B13R1.48 O=C(NCCCCO)c1ccco1 WXVL_AK0075SC0049 [0,1,0,0,0,0|1,0,0]=2 537 B13R1.48 O=C(NCCCCO)c1ccco1 WXVL_AK0075SC0049 [0,1,0,0,0,0|1,0,0]=2 538 B13R1.48 O=C(NCCCCO)c1cccs1 WXVL_AK0075SC0051 [0,1,0,0,0,0|1,1,0]=3 539 B13R1.48 O=C(NCCCCO)c1cccs1 WXVL_AK0075SC0051 [0,1,0,0,0,0|1,1,0]=3 540 B13R1.48 O=C(NCCCCO)c1ccno1 WXVL_AK0075SC0080 [0,1,0,0,0,0|2,0,0]=3 541 B13R1.48 O=C(NCCCCO)c1ccno1 WXVL_AK0075SC0080 [0,1,0,0,0,0|2,0,0]=3 542 B13R1.48 O=C(NCCCCO)c1ccns1 WXVL_AK0075SC0027 [0,1,0,0,0,0|2,1,0]=4 543 B13R1.48 O=C(NCCCCO)c1ccns1 WXVL_AK0075SC0027 [0,1,0,0,0,0|2,1,0]=4 544 B13R1.48 O=C(NCCCCO)c1ccoc1 WXVL_AK0075SC0050 [0,1,0,0,0,0|3,0,0]=4 545 B13R1.48 O=C(NCCCCO)c1ccoc1 WXVL_AK0075SC0050 [0,1,0,0,0,0|3,0,0]=4 546 B13R1.48 O=C(NCCCCO)c1ccon1 WXVL_AK0075SC0116 [0,1,0,0,0,0|3,0,0]=4 547 B13R1.48 O=C(NCCCCO)c1ccon1 WXVL_AK0075SC0116 [0,1,0,0,0,0|3,0,0]=4 548 B13R1.48 O=C(NCCCCO)c1ccsc1 WXVL_AK0075SC0054 [0,1,0,0,0,0|3,0,0]=4 549 B13R1.48 O=C(NCCCCO)c1ccsc1 WXVL_AK0075SC0054 [0,1,0,0,0,0|3,0,0]=4 550 B13R1.48 O=C(NCCCCO)c1ccsn1 WXVL_AK0075SC0764 [0,1,0,0,0,0|3,0,0]=4 551 B13R1.48 O=C(NCCCCO)c1ccsn1 WXVL_AK0075SC0764 [0,1,0,0,0,0|3,0,0]=4 552 B13R1.48 O=C(NCCCCO)c1cnc[nH]1 WXVL_AK0075SC0247 [0,1,0,0,0,0|3,0,0]=4 553 B13R1.48 O=C(NCCCCO)c1cnc[nH]1 WXVL_AK0075SC0247 [0,1,0,0,0,0|3,0,0]=4 554 B13R1.48 O=C(NCCCCO)c1cnco1 WXVL_AK0075SC0018 [0,1,0,0,0,0|2,0,0]=3 555 B13R1.48 O=C(NCCCCO)c1cnco1 WXVL_AK0075SC0018 [0,1,0,0,0,0|2,0,0]=3 556 B13R1.48 O=C(NCCCCO)c1cncs1 WXVL_AK0075SC0113 [0,1,0,0,0,0|2,1,0]=4 557 B13R1.48 O=C(NCCCCO)c1cncs1 WXVL_AK0075SC0113 [0,1,0,0,0,0|2,1,0]=4 558 B13R1.48 O=C(NCCCCO)c1cocn1 WXVL_AK0075SC0118 [0,1,0,0,0,0|3,0,0]=4 559 B13R1.48 O=C(NCCCCO)c1cocn1 WXVL_AK0075SC0118 [0,1,0,0,0,0|3,0,0]=4 560 B13R1.48 O=C(NCCCCO)c1cscn1 WXVL_AK0075SC0092 [0,1,0,0,0,0|3,0,0]=4 561 B13R1.48 O=C(NCCCCO)c1cscn1 WXVL_AK0075SC0092 [0,1,0,0,0,0|3,0,0]=4 562 B13R1.48 O=C(NCCCCO)c1nccs1 WXVL_AK0075SC0110 [0,1,0,0,0,0|2,1,0]=4 563 B13R1.48 O=C(NCCCCO)c1nccs1 WXVL_AK0075SC0110 [0,1,0,0,0,0|2,1,0]=4 564 B13R1.54 CCCCNS(=O)(=O)c1cccs1 WXVL_AK00588HU0005 [0,1,0,0,0,0|2,1,0]=4 565 B13R1.54 CCCCNS(=O)(=O)c1cccs1 WXVL_AK00588HU0005 [0,1,0,0,0,0|2,1,0]=4 566 B13R1.162 CNC(=O)CNC(=O)c1ccco1 WXVL_AK1222SC0049 [0,1,0,0,0,0|2,0,1]=4 567 B13R1.162 CNC(=O)CNC(=O)c1ccco1 WXVL_AK1222SC0049 [0,1,0,0,0,0|2,0,1]=4 568 B13R1.162 CO[C@H](C)CNC(=O)c1ccco1 WXVL_AK00704SC0049 [0,1,0,0,0,0|2,0,0]=3 569 B13R1.162 CO[C@H](C)CNC(=O)c1ccco1 WXVL_AK00704SC0049 [0,1,0,0,0,0|2,0,0]=3 570 B13R1.162 CO[C@H](C)CNC(=O)c1cccs1 WXVL_AK00704SC0051 [0,1,0,0,0,0|2,1,0]=4 571 B13R1.162 CO[C@H](C)CNC(=O)c1cccs1 WXVL_AK00704SC0051 [0,1,0,0,0,0|2,1,0]=4 572 B13R1.162 CO[C@H](C)CNC(=O)c1ccno1 WXVL_AK00704SC0080 [0,1,0,0,0,0|3,0,0]=4 573 B13R1.162 CO[C@H](C)CNC(=O)c1ccno1 WXVL_AK00704SC0080 [0,1,0,0,0,0|3,0,0]=4 574 B13R1.162 CO[C@H](C)CNC(=O)c1cnco1 WXVL_AK00704SC0018 [0,1,0,0,0,0|3,0,0]=4 575 B13R1.162 CO[C@H](C)CNC(=O)c1cnco1 WXVL_AK00704SC0018 [0,1,0,0,0,0|3,0,0]=4 576 B13R1.162 O=C(NC[C@@H](F)CO)c1ccco1 WXVL_AK00590SC0049 [0,1,0,0,0,0|2,0,0]=3 577 B13R1.162 O=C(NC[C@@H](F)CO)c1ccco1 WXVL_AK00590SC0049 [0,1,0,0,0,0|2,0,0]=3 578 B13R1.162 O=C(NC[C@@H](F)CO)c1cccs1 WXVL_AK00590SC0051 [0,1,0,0,0,0|2,1,0]=4 579 B13R1.162 O=C(NC[C@@H](F)CO)c1cccs1 WXVL_AK00590SC0051 [0,1,0,0,0,0|2,1,0]=4 580 B13R1.162 O=C(NC[C@@H](F)CO)c1ccno1 WXVL_AK00590SC0080 [0,1,0,0,0,0|3,0,0]=4 581 B13R1.162 O=C(NC[C@@H](F)CO)c1ccno1 WXVL_AK00590SC0080 [0,1,0,0,0,0|3,0,0]=4 582 B13R1.162 O=C(NC[C@@H](F)CO)c1cnco1 WXVL_AK00590SC0018 [0,1,0,0,0,0|3,0,0]=4 583 B13R1.162 O=C(NC[C@@H](F)CO)c1cnco1 WXVL_AK00590SC0018 [0,1,0,0,0,0|3,0,0]=4 584 B13R1.162 O=C(NC[C@H](O)CO)c1ccco1 WXVL_AK00483SC0049 [0,1,0,0,0,0|2,0,0]=3 585 B13R1.162 O=C(NC[C@H](O)CO)c1ccco1 WXVL_AK00483SC0049 [0,1,0,0,0,0|2,0,0]=3 586 B13R1.162 O=C(NC[C@H](O)CO)c1cccs1 WXVL_AK00483SC0051 [0,1,0,0,0,0|2,1,0]=4 587 B13R1.162 O=C(NC[C@H](O)CO)c1cccs1 WXVL_AK00483SC0051 [0,1,0,0,0,0|2,1,0]=4 588 B13R1.162 O=C(NC[C@H](O)CO)c1ccno1 WXVL_AK00483SC0080 [0,1,0,0,0,0|3,0,0]=4 589 B13R1.162 O=C(NC[C@H](O)CO)c1ccno1 WXVL_AK00483SC0080 [0,1,0,0,0,0|3,0,0]=4 590 B13R1.162 O=C(NC[C@H](O)CO)c1cnco1 WXVL_AK00483SC0018 [0,1,0,0,0,0|3,0,0]=4 591 B13R1.162 O=C(NC[C@H](O)CO)c1cnco1 WXVL_AK00483SC0018 [0,1,0,0,0,0|3,0,0]=4 592 B13R1.166 CCCNC(=O)C(=O)c1ccco1 WXVL_AK00504SA0049 [0,1,0,0,0,0|1,0,1]=3 593 B13R1.166 CCCNC(=O)C(=O)c1ccco1 WXVL_AK00504SA0049 [0,1,0,0,0,0|1,0,1]=3 594 B13R1.166 COCCN(C)C(=O)c1ccco1 WXVL_AN0085SC0049 [0,1,0,0,0,0|2,0,0]=3 595 B13R1.166 COCCN(C)C(=O)c1ccco1 WXVL_AN0085SC0049 [0,1,0,0,0,0|2,0,0]=3 596 B13R1.166 COCCN(C)C(=O)c1cccs1 WXVL_AN0085SC0051 [0,1,0,0,0,0|2,1,0]=4 597 B13R1.166 COCCN(C)C(=O)c1cccs1 WXVL_AN0085SC0051 [0,1,0,0,0,0|2,1,0]=4 598 B13R1.166 COCCN(C)C(=O)c1ccno1 WXVL_AN0085SC0080 [0,1,0,0,0,0|3,0,0]=4 599 B13R1.166 COCCN(C)C(=O)c1ccno1 WXVL_AN0085SC0080 [0,1,0,0,0,0|3,0,0]=4 600 B13R1.166 COCCN(C)C(=O)c1cnco1 WXVL_AN0085SC0018 [0,1,0,0,0,0|3,0,0]=4 601 B13R1.166 COCCN(C)C(=O)c1cnco1 WXVL_AN0085SC0018 [0,1,0,0,0,0|3,0,0]=4 602 B13R1.166 O=C(NCCF)C(=O)c1ccco1 WXVL_AK00466SA0049 [0,1,0,0,0,0|2,0,1]=4 603 B13R1.166 O=C(NCCF)C(=O)c1ccco1 WXVL_AK00466SA0049 [0,1,0,0,0,0|2,0,1]=4 604 B13R1.342 CC(C)CCNC(=O)c1c[nH]cn1 WXVL_AK0068SC0074 [0,1,0,0,0,0|3,0,0]=4 605 B13R1.342 CC(C)CCNC(=O)c1c[nH]cn1 WXVL_AK0068SC0074 [0,1,0,0,0,0|3,0,0]=4 606 B13R1.342 CC(C)CCNC(=O)c1cc[nH]c1 WXVL_AK0068SC0013 [0,1,0,0,0,0|3,0,0]=4 607 B13R1.342 CC(C)CCNC(=O)c1cc[nH]c1 WXVL_AK0068SC0013 [0,1,0,0,0,0|3,0,0]=4 608 B13R1.342 CC(C)CCNC(=O)c1cc[nH]n1 WXVL_AK0068SC0003 [0,1,0,0,0,0|3,0,0]=4 609 B13R1.342 CC(C)CCNC(=O)c1cc[nH]n1 WXVL_AK0068SC0003 [0,1,0,0,0,0|3,0,0]=4 610 B13R1.342 CC(C)CCNC(=O)c1ccco1 WXVL_AK0068SC0049 [0,1,0,0,0,0|1,0,0]=2 611 B13R1.342 CC(C)CCNC(=O)c1ccco1 WXVL_AK0068SC0049 [0,1,0,0,0,0|1,0,0]=2 612 B13R1.342 CC(C)CCNC(=O)c1cccs1 WXVL_AK0068SC0051 [0,1,0,0,0,0|1,1,0]=3 613 B13R1.342 CC(C)CCNC(=O)c1cccs1 WXVL_AK0068SC0051 [0,1,0,0,0,0|1,1,0]=3 614 B13R1.342 CC(C)CCNC(=O)c1ccno1 WXVL_AK0068SC0080 [0,1,0,0,0,0|2,0,0]=3 615 B13R1.342 CC(C)CCNC(=O)c1ccno1 WXVL_AK0068SC0080 [0,1,0,0,0,0|2,0,0]=3 616 B13R1.342 CC(C)CCNC(=O)c1ccns1 WXVL_AK0068SC0027 [0,1,0,0,0,0|2,1,0]=4 617 B13R1.342 CC(C)CCNC(=O)c1ccns1 WXVL_AK0068SC0027 [0,1,0,0,0,0|2,1,0]=4 618 B13R1.342 CC(C)CCNC(=O)c1ccoc1 WXVL_AK0068SC0050 [0,1,0,0,0,0|3,0,0]=4 619 B13R1.342 CC(C)CCNC(=O)c1ccoc1 WXVL_AK0068SC0050 [0,1,0,0,0,0|3,0,0]=4 620 B13R1.342 CC(C)CCNC(=O)c1ccon1 WXVL_AK0068SC0116 [0,1,0,0,0,0|3,0,0]=4 621 B13R1.342 CC(C)CCNC(=O)c1ccon1 WXVL_AK0068SC0116 [0,1,0,0,0,0|3,0,0]=4 622 B13R1.342 CC(C)CCNC(=O)c1ccsc1 WXVL_AK0068SC0054 [0,1,0,0,0,0|3,0,0]=4 623 B13R1.342 CC(C)CCNC(=O)c1ccsc1 WXVL_AK0068SC0054 [0,1,0,0,0,0|3,0,0]=4 624 B13R1.342 CC(C)CCNC(=O)c1ccsn1 WXVL_AK0068SC0764 [0,1,0,0,0,0|3,0,0]=4 625 B13R1.342 CC(C)CCNC(=O)c1ccsn1 WXVL_AK0068SC0764 [0,1,0,0,0,0|3,0,0]=4 626 B13R1.342 CC(C)CCNC(=O)c1cnc[nH]1 WXVL_AK0068SC0247 [0,1,0,0,0,0|3,0,0]=4 627 B13R1.342 CC(C)CCNC(=O)c1cnc[nH]1 WXVL_AK0068SC0247 [0,1,0,0,0,0|3,0,0]=4 628 B13R1.342 CC(C)CCNC(=O)c1cnco1 WXVL_AK0068SC0018 [0,1,0,0,0,0|2,0,0]=3 629 B13R1.342 CC(C)CCNC(=O)c1cnco1 WXVL_AK0068SC0018 [0,1,0,0,0,0|2,0,0]=3 630 B13R1.342 CC(C)CCNC(=O)c1cncs1 WXVL_AK0068SC0113 [0,1,0,0,0,0|2,1,0]=4 631 B13R1.342 CC(C)CCNC(=O)c1cncs1 WXVL_AK0068SC0113 [0,1,0,0,0,0|2,1,0]=4 632 B13R1.342 CC(C)CCNC(=O)c1cocn1 WXVL_AK0068SC0118 [0,1,0,0,0,0|3,0,0]=4 633 B13R1.342 CC(C)CCNC(=O)c1cocn1 WXVL_AK0068SC0118 [0,1,0,0,0,0|3,0,0]=4 634 B13R1.342 CC(C)CCNC(=O)c1cscn1 WXVL_AK0068SC0092 [0,1,0,0,0,0|3,0,0]=4 635 B13R1.342 CC(C)CCNC(=O)c1cscn1 WXVL_AK0068SC0092 [0,1,0,0,0,0|3,0,0]=4 636 B13R1.342 CC(C)CCNC(=O)c1nccs1 WXVL_AK0068SC0110 [0,1,0,0,0,0|2,1,0]=4 637 B13R1.342 CC(C)CCNC(=O)c1nccs1 WXVL_AK0068SC0110 [0,1,0,0,0,0|2,1,0]=4 638 B13R1.342 CN(C)CCNC(=O)c1ccco1 WXVL_AK0058SC0049 [0,1,0,0,0,0|2,0,0]=3 639 B13R1.342 CN(C)CCNC(=O)c1ccco1 WXVL_AK0058SC0049 [0,1,0,0,0,0|2,0,0]=3 640 B13R1.342 CN(C)CCNC(=O)c1cccs1 WXVL_AK0058SC0051 [0,1,0,0,0,0|2,1,0]=4 641 B13R1.342 CN(C)CCNC(=O)c1cccs1 WXVL_AK0058SC0051 [0,1,0,0,0,0|2,1,0]=4 642 B13R1.342 CN(C)CCNC(=O)c1ccno1 WXVL_AK0058SC0080 [0,1,0,0,0,0|3,0,0]=4 643 B13R1.342 CN(C)CCNC(=O)c1ccno1 WXVL_AK0058SC0080 [0,1,0,0,0,0|3,0,0]=4 644 B13R1.342 CN(C)CCNC(=O)c1cnco1 WXVL_AK0058SC0018 [0,1,0,0,0,0|3,0,0]=4 645 B13R1.342 CN(C)CCNC(=O)c1cnco1 WXVL_AK0058SC0018 [0,1,0,0,0,0|3,0,0]=4 646 B13R1.342 NC(=O)CCNC(=O)c1ccco1 WXVL_AK00443SC0049 [0,1,0,0,0,0|2,0,1]=4 647 B13R1.342 NC(=O)CCNC(=O)c1ccco1 WXVL_AK00443SC0049 [0,1,0,0,0,0|2,0,1]=4 648 B13R1.725 C#CCCNC(=O)c1occc1Br WXVL_AK3109SC0241 [0,1,0,0,0,0|1,0,2]=4 649 B13R1.725 C#CCCNC(=O)c1occc1Br WXVL_AK3109SC0241 [0,1,0,0,0,0|1,0,2]=4 650 B13R1.725 C#CCCNC(=O)c1occc1C WXVL_AK3109SC0230 [0,1,0,0,0,0|1,0,2]=4 651 B13R1.725 C#CCCNC(=O)c1occc1C WXVL_AK3109SC0230 [0,1,0,0,0,0|1,0,2]=4 652 B13R1.725 C=CCCNC(=O)c1occc1Br WXVL_AK00138SC0241 [0,1,0,0,0,0|1,0,2]=4 653 B13R1.725 C=CCCNC(=O)c1occc1Br WXVL_AK00138SC0241 [0,1,0,0,0,0|1,0,2]=4 654 B13R1.725 C=CCCNC(=O)c1occc1C WXVL_AK00138SC0230 [0,1,0,0,0,0|1,0,2]=4 655 B13R1.725 C=CCCNC(=O)c1occc1C WXVL_AK00138SC0230 [0,1,0,0,0,0|1,0,2]=4 656 B13R1.725 CCCCNC(=O)c1[nH]ccc1C WXVL_AK00588SC1315 [0,1,0,0,0,0|2,0,0]=3 657 B13R1.725 CCCCNC(=O)c1[nH]ccc1C WXVL_AK00588SC1315 [0,1,0,0,0,0|2,0,0]=3 658 B13R1.725 CCCCNC(=O)c1[nH]cnc1C WXVL_AK00588SC0269 [0,1,0,0,0,0|3,0,0]=4 659 B13R1.725 CCCCNC(=O)c1[nH]cnc1C WXVL_AK00588SC0269 [0,1,0,0,0,0|3,0,0]=4 660 B13R1.725 CCCCNC(=O)c1c[nH]cc1C WXVL_AK00588SC0251 [0,1,0,0,0,0|3,0,0]=4 661 B13R1.725 CCCCNC(=O)c1c[nH]cc1C WXVL_AK00588SC0251 [0,1,0,0,0,0|3,0,0]=4 662 B13R1.725 CCCCNC(=O)c1ccnn1C WXVL_AK00588SC0090 [0,1,0,0,0,0|3,0,0]=4 663 B13R1.725 CCCCNC(=O)c1ccnn1C WXVL_AK00588SC0090 [0,1,0,0,0,0|3,0,0]=4 664 B13R1.725 CCCCNC(=O)c1ccsc1C WXVL_AK00588SC1037 [0,1,0,0,0,0|3,0,0]=4 665 B13R1.725 CCCCNC(=O)c1ccsc1C WXVL_AK00588SC1037 [0,1,0,0,0,0|3,0,0]=4 666 B13R1.725 CCCCNC(=O)c1ccsc1Cl WXVL_AK00588SC0794 [0,1,0,0,0,0|3,0,0]=4 667 B13R1.725 CCCCNC(=O)c1ccsc1Cl WXVL_AK00588SC0794 [0,1,0,0,0,0|3,0,0]=4 668 B13R1.725 CCCCNC(=O)c1cncn1C WXVL_AK00588SC0099 [0,1,0,0,0,0|3,0,0]=4 669 B13R1.725 CCCCNC(=O)c1cncn1C WXVL_AK00588SC0099 [0,1,0,0,0,0|3,0,0]=4 670 B13R1.725 CCCCNC(=O)c1cscc1Br WXVL_AK00588SC1024 [0,1,0,0,0,0|3,0,0]=4 671 B13R1.725 CCCCNC(=O)c1cscc1Br WXVL_AK00588SC1024 [0,1,0,0,0,0|3,0,0]=4 672 B13R1.725 CCCCNC(=O)c1cscc1C WXVL_AK00588SC0257 [0,1,0,0,0,0|3,0,0]=4 673 B13R1.725 CCCCNC(=O)c1cscc1C WXVL_AK00588SC0257 [0,1,0,0,0,0|3,0,0]=4 674 B13R1.725 CCCCNC(=O)c1n[nH]cc1I WXVL_AK00588SC0442 [0,1,0,0,0,0|3,0,0]=4 675 B13R1.725 CCCCNC(=O)c1n[nH]cc1I WXVL_AK00588SC0442 [0,1,0,0,0,0|3,0,0]=4 676 B13R1.725 CCCCNC(=O)c1nccn1C WXVL_AK00588SC0106 [0,1,0,0,0,0|3,0,0]=4 677 B13R1.725 CCCCNC(=O)c1nccn1C WXVL_AK00588SC0106 [0,1,0,0,0,0|3,0,0]=4 678 B13R1.725 CCCCNC(=O)c1ncoc1C WXVL_AK00588SC0732 [0,1,0,0,0,0|3,0,0]=4 679 B13R1.725 CCCCNC(=O)c1ncoc1C WXVL_AK00588SC0732 [0,1,0,0,0,0|3,0,0]=4 680 B13R1.725 CCCCNC(=O)c1ncsc1Br WXVL_AK00588SC0192 [0,1,0,0,0,0|3,0,0]=4 681 B13R1.725 CCCCNC(=O)c1ncsc1Br WXVL_AK00588SC0192 [0,1,0,0,0,0|3,0,0]=4 682 B13R1.725 CCCCNC(=O)c1ncsc1C WXVL_AK00588SC0722 [0,1,0,0,0,0|3,0,0]=4 683 B13R1.725 CCCCNC(=O)c1ncsc1C WXVL_AK00588SC0722 [0,1,0,0,0,0|3,0,0]=4 684 B13R1.725 CCCCNC(=O)c1occc1Br WXVL_AK00588SC0241 [0,1,0,0,0,0|1,0,0]=2 685 B13R1.725 CCCCNC(=O)c1occc1Br WXVL_AK00588SC0241 [0,1,0,0,0,0|1,0,0]=2 686 B13R1.725 CCCCNC(=O)c1occc1C WXVL_AK00588SC0230 [0,1,0,0,0,0|1,0,0]=2 687 B13R1.725 CCCCNC(=O)c1occc1C WXVL_AK00588SC0230 [0,1,0,0,0,0|1,0,0]=2 688 B13R1.725 CCCCNC(=O)c1ocnc1C WXVL_AK00588SC0103 [0,1,0,0,0,0|2,0,0]=3 689 B13R1.725 CCCCNC(=O)c1ocnc1C WXVL_AK00588SC0103 [0,1,0,0,0,0|2,0,0]=3 690 B13R1.725 CCCCNC(=O)c1oncc1C WXVL_AK00588SC0912 [0,1,0,0,0,0|2,0,0]=3 691 B13R1.725 CCCCNC(=O)c1oncc1C WXVL_AK00588SC0912 [0,1,0,0,0,0|2,0,0]=3 692 B13R1.725 CCCCNC(=O)c1sccc1Br WXVL_AK00588SC0364 [0,1,0,0,0,0|1,1,0]=3 693 B13R1.725 CCCCNC(=O)c1sccc1Br WXVL_AK00588SC0364 [0,1,0,0,0,0|1,1,0]=3 694 B13R1.725 CCCCNC(=O)c1sccc1C WXVL_AK00588SC0052 [0,1,0,0,0,0|1,1,0]=3 695 B13R1.725 CCCCNC(=O)c1sccc1C WXVL_AK00588SC0052 [0,1,0,0,0,0|1,1,0]=3 696 B13R1.725 CCCCNC(=O)c1sccc1Cl WXVL_AK00588SC0756 [0,1,0,0,0,0|1,1,0]=3 697 B13R1.725 CCCCNC(=O)c1sccc1Cl WXVL_AK00588SC0756 [0,1,0,0,0,0|1,1,0]=3 698 B13R1.725 CCCCNC(=O)c1sccc1F WXVL_AK00588SC0017 [0,1,0,0,0,0|1,1,0]=3 699 B13R1.725 CCCCNC(=O)c1sccc1F WXVL_AK00588SC0017 [0,1,0,0,0,0|1,1,0]=3 700 B13R1.725 CCCCNC(=O)c1sccc1I WXVL_AK00588SC1579 [0,1,0,0,0,0|1,1,0]=3 701 B13R1.725 CCCCNC(=O)c1sccc1I WXVL_AK00588SC1579 [0,1,0,0,0,0|1,1,0]=3 702 B13R1.725 CCCCNC(=O)c1scnc1C WXVL_AK00588SC0093 [0,1,0,0,0,0|2,1,0]=4 703 B13R1.725 CCCCNC(=O)c1scnc1C WXVL_AK00588SC0093 [0,1,0,0,0,0|2,1,0]=4 704 B13R1.725 CSCCNC(=O)c1[nH]ccc1C WXVL_AK00440SC1315 [0,1,0,0,0,0|3,0,0]=4 705 B13R1.725 CSCCNC(=O)c1[nH]ccc1C WXVL_AK00440SC1315 [0,1,0,0,0,0|3,0,0]=4 706 B13R1.725 CSCCNC(=O)c1occc1Br WXVL_AK00440SC0241 [0,1,0,0,0,0|2,0,0]=3 707 B13R1.725 CSCCNC(=O)c1occc1Br WXVL_AK00440SC0241 [0,1,0,0,0,0|2,0,0]=3 708 B13R1.725 CSCCNC(=O)c1occc1C WXVL_AK00440SC0230 [0,1,0,0,0,0|2,0,0]=3 709 B13R1.725 CSCCNC(=O)c1occc1C WXVL_AK00440SC0230 [0,1,0,0,0,0|2,0,0]=3 710 B13R1.725 CSCCNC(=O)c1ocnc1C WXVL_AK00440SC0103 [0,1,0,0,0,0|3,0,0]=4 711 B13R1.725 CSCCNC(=O)c1ocnc1C WXVL_AK00440SC0103 [0,1,0,0,0,0|3,0,0]=4 712 B13R1.725 CSCCNC(=O)c1oncc1C WXVL_AK00440SC0912 [0,1,0,0,0,0|3,0,0]=4 713 B13R1.725 CSCCNC(=O)c1oncc1C WXVL_AK00440SC0912 [0,1,0,0,0,0|3,0,0]=4 714 B13R1.725 CSCCNC(=O)c1sccc1Br WXVL_AK00440SC0364 [0,1,0,0,0,0|2,1,0]=4 715 B13R1.725 CSCCNC(=O)c1sccc1Br WXVL_AK00440SC0364 [0,1,0,0,0,0|2,1,0]=4 716 B13R1.725 CSCCNC(=O)c1sccc1C WXVL_AK00440SC0052 [0,1,0,0,0,0|2,1,0]=4 717 B13R1.725 CSCCNC(=O)c1sccc1C WXVL_AK00440SC0052 [0,1,0,0,0,0|2,1,0]=4 718 B13R1.725 CSCCNC(=O)c1sccc1Cl WXVL_AK00440SC0756 [0,1,0,0,0,0|2,1,0]=4 719 B13R1.725 CSCCNC(=O)c1sccc1Cl WXVL_AK00440SC0756 [0,1,0,0,0,0|2,1,0]=4 720 B13R1.725 CSCCNC(=O)c1sccc1F WXVL_AK00440SC0017 [0,1,0,0,0,0|2,1,0]=4 721 B13R1.725 CSCCNC(=O)c1sccc1F WXVL_AK00440SC0017 [0,1,0,0,0,0|2,1,0]=4 722 B13R1.725 CSCCNC(=O)c1sccc1I WXVL_AK00440SC1579 [0,1,0,0,0,0|2,1,0]=4 723 B13R1.725 CSCCNC(=O)c1sccc1I WXVL_AK00440SC1579 [0,1,0,0,0,0|2,1,0]=4 724 B13R1.725 Cc1cc[nH]c1C(=O)NCCCO WXVL_AK0073SC1315 [0,1,0,0,0,0|3,0,0]=4 725 B13R1.725 Cc1cc[nH]c1C(=O)NCCCO WXVL_AK0073SC1315 [0,1,0,0,0,0|3,0,0]=4 726 B13R1.725 Cc1ccoc1C(=O)NCCC#N WXVL_AK0087SC0230 [0,1,0,0,0,0|2,0,1]=4 727 B13R1.725 Cc1ccoc1C(=O)NCCC#N WXVL_AK0087SC0230 [0,1,0,0,0,0|2,0,1]=4 728 B13R1.725 Cc1ccoc1C(=O)NCCCO WXVL_AK0073SC0230 [0,1,0,0,0,0|2,0,0]=3 729 B13R1.725 Cc1ccoc1C(=O)NCCCO WXVL_AK0073SC0230 [0,1,0,0,0,0|2,0,0]=3 730 B13R1.725 Cc1ccsc1C(=O)NCCCO WXVL_AK0073SC0052 [0,1,0,0,0,0|2,1,0]=4 731 B13R1.725 Cc1ccsc1C(=O)NCCCO WXVL_AK0073SC0052 [0,1,0,0,0,0|2,1,0]=4 732 B13R1.725 Cc1cnoc1C(=O)NCCCO WXVL_AK0073SC0912 [0,1,0,0,0,0|3,0,0]=4 733 B13R1.725 Cc1cnoc1C(=O)NCCCO WXVL_AK0073SC0912 [0,1,0,0,0,0|3,0,0]=4 734 B13R1.725 Cc1ncoc1C(=O)NCCCO WXVL_AK0073SC0103 [0,1,0,0,0,0|3,0,0]=4 735 B13R1.725 Cc1ncoc1C(=O)NCCCO WXVL_AK0073SC0103 [0,1,0,0,0,0|3,0,0]=4 736 B13R1.725 N#CCCNC(=O)c1occc1Br WXVL_AK0087SC0241 [0,1,0,0,0,0|2,0,1]=4 737 B13R1.725 N#CCCNC(=O)c1occc1Br WXVL_AK0087SC0241 [0,1,0,0,0,0|2,0,1]=4 738 B13R1.725 O=C(NCCCO)c1occc1Br WXVL_AK0073SC0241 [0,1,0,0,0,0|2,0,0]=3 739 B13R1.725 O=C(NCCCO)c1occc1Br WXVL_AK0073SC0241 [0,1,0,0,0,0|2,0,0]=3 740 B13R1.725 O=C(NCCCO)c1sccc1Br WXVL_AK0073SC0364 [0,1,0,0,0,0|2,1,0]=4 741 B13R1.725 O=C(NCCCO)c1sccc1Br WXVL_AK0073SC0364 [0,1,0,0,0,0|2,1,0]=4 742 B13R1.725 O=C(NCCCO)c1sccc1Cl WXVL_AK0073SC0756 [0,1,0,0,0,0|2,1,0]=4 743 B13R1.725 O=C(NCCCO)c1sccc1Cl WXVL_AK0073SC0756 [0,1,0,0,0,0|2,1,0]=4 744 B13R1.725 O=C(NCCCO)c1sccc1F WXVL_AK0073SC0017 [0,1,0,0,0,0|2,1,0]=4 745 B13R1.725 O=C(NCCCO)c1sccc1F WXVL_AK0073SC0017 [0,1,0,0,0,0|2,1,0]=4 746 B13R1.725 O=C(NCCCO)c1sccc1I WXVL_AK0073SC1579 [0,1,0,0,0,0|2,1,0]=4 747 B13R1.725 O=C(NCCCO)c1sccc1I WXVL_AK0073SC1579 [0,1,0,0,0,0|2,1,0]=4 748 B11R0.140 C/C=C/C=C/C(=O)NCCCC WXVL_AK00588SB0348 [0,0,1,0,0,0|2,0,0]=3 749 B11R0.140 C/C=C/C=C/C(=O)NCCCC WXVL_AK00588SB0348 [0,0,1,0,0,0|2,0,0]=3 750 B11R0.140 C/C=C/C=C/C(=O)NCCCO WXVL_AK0073SB0348 [0,0,1,0,0,0|3,0,0]=4 751 B11R0.140 C/C=C/C=C/C(=O)NCCCO WXVL_AK0073SB0348 [0,0,1,0,0,0|3,0,0]=4 752 B11R0.140 C/C=C/C=C/C(=O)NCCSC WXVL_AK00440SB0348 [0,0,1,0,0,0|3,0,0]=4 753 B11R0.140 C/C=C/C=C/C(=O)NCCSC WXVL_AK00440SB0348 [0,0,1,0,0,0|3,0,0]=4 754 B13R2.445 O=C(NC1CNC1)c2ccco2 WXVL_AK1291SC0049 [0,0,0,1,0,0|2,0,0]=3 755 B13R2.445 O=C(NC1CNC1)c2ccco2 WXVL_AK1291SC0049 [0,0,0,1,0,0|2,0,0]=3 756 B13R2.445 O=C(NC1CNC1)c2cccs2 WXVL_AK1291SC0051 [0,0,0,1,0,0|2,1,0]=4 757 B13R2.445 O=C(NC1CNC1)c2cccs2 WXVL_AK1291SC0051 [0,0,0,1,0,0|2,1,0]=4 758 B13R2.445 O=C(NC1CNC1)c2ccno2 WXVL_AK1291SC0080 [0,0,0,1,0,0|3,0,0]=4 759 B13R2.445 O=C(NC1CNC1)c2ccno2 WXVL_AK1291SC0080 [0,0,0,1,0,0|3,0,0]=4 760 B13R2.445 O=C(NC1CNC1)c2cnco2 WXVL_AK1291SC0018 [0,0,0,1,0,0|3,0,0]=4 761 B13R2.445 O=C(NC1CNC1)c2cnco2 WXVL_AK1291SC0018 [0,0,0,1,0,0|3,0,0]=4 762 B13R2.445 O=C(NC1CSC1)c2ccco2 WXVL_AK2089SC0049 [0,0,0,1,0,0|2,0,0]=3 763 B13R2.445 O=C(NC1CSC1)c2ccco2 WXVL_AK2089SC0049 [0,0,0,1,0,0|2,0,0]=3 764 B13R2.445 O=C(NC1CSC1)c2cccs2 WXVL_AK2089SC0051 [0,0,0,1,0,0|2,1,0]=4 765 B13R2.445 O=C(NC1CSC1)c2cccs2 WXVL_AK2089SC0051 [0,0,0,1,0,0|2,1,0]=4 766 B13R2.445 O=C(NC1CSC1)c2ccno2 WXVL_AK2089SC0080 [0,0,0,1,0,0|3,0,0]=4 767 B13R2.445 O=C(NC1CSC1)c2ccno2 WXVL_AK2089SC0080 [0,0,0,1,0,0|3,0,0]=4 768 B13R2.445 O=C(NC1CSC1)c2cnco2 WXVL_AK2089SC0018 [0,0,0,1,0,0|3,0,0]=4 769 B13R2.445 O=C(NC1CSC1)c2cnco2 WXVL_AK2089SC0018 [0,0,0,1,0,0|3,0,0]=4 770 B13R2.674 O=C(c1c[nH]cn1)N2CCCC2 WXVL_AN0008SC0074 [0,0,0,1,0,0|3,0,0]=4 771 B13R2.674 O=C(c1c[nH]cn1)N2CCCC2 WXVL_AN0008SC0074 [0,0,0,1,0,0|3,0,0]=4 772 B13R2.674 O=C(c1cc[nH]c1)N2CCCC2 WXVL_AN0008SC0013 [0,0,0,1,0,0|3,0,0]=4 773 B13R2.674 O=C(c1cc[nH]c1)N2CCCC2 WXVL_AN0008SC0013 [0,0,0,1,0,0|3,0,0]=4 774 B13R2.674 O=C(c1cc[nH]n1)N2CCCC2 WXVL_AN0008SC0003 [0,0,0,1,0,0|3,0,0]=4 775 B13R2.674 O=C(c1cc[nH]n1)N2CCCC2 WXVL_AN0008SC0003 [0,0,0,1,0,0|3,0,0]=4 776 B13R2.674 O=C(c1ccco1)N2CCCC2 WXVL_AN0008SC0049 [0,0,0,1,0,0|1,0,0]=2 777 B13R2.674 O=C(c1ccco1)N2CCCC2 WXVL_AN0008SC0049 [0,0,0,1,0,0|1,0,0]=2 778 B13R2.674 O=C(c1cccs1)N2CCCC2 WXVL_AN0008SC0051 [0,0,0,1,0,0|1,1,0]=3 779 B13R2.674 O=C(c1cccs1)N2CCCC2 WXVL_AN0008SC0051 [0,0,0,1,0,0|1,1,0]=3 780 B13R2.674 O=C(c1ccno1)N2CCCC2 WXVL_AN0008SC0080 [0,0,0,1,0,0|2,0,0]=3 781 B13R2.674 O=C(c1ccno1)N2CCCC2 WXVL_AN0008SC0080 [0,0,0,1,0,0|2,0,0]=3 782 B13R2.674 O=C(c1ccns1)N2CCCC2 WXVL_AN0008SC0027 [0,0,0,1,0,0|2,1,0]=4 783 B13R2.674 O=C(c1ccns1)N2CCCC2 WXVL_AN0008SC0027 [0,0,0,1,0,0|2,1,0]=4 784 B13R2.674 O=C(c1ccoc1)N2CCCC2 WXVL_AN0008SC0050 [0,0,0,1,0,0|3,0,0]=4 785 B13R2.674 O=C(c1ccoc1)N2CCCC2 WXVL_AN0008SC0050 [0,0,0,1,0,0|3,0,0]=4 786 B13R2.674 O=C(c1ccon1)N2CCCC2 WXVL_AN0008SC0116 [0,0,0,1,0,0|3,0,0]=4 787 B13R2.674 O=C(c1ccon1)N2CCCC2 WXVL_AN0008SC0116 [0,0,0,1,0,0|3,0,0]=4 788 B13R2.674 O=C(c1ccsc1)N2CCCC2 WXVL_AN0008SC0054 [0,0,0,1,0,0|3,0,0]=4 789 B13R2.674 O=C(c1ccsc1)N2CCCC2 WXVL_AN0008SC0054 [0,0,0,1,0,0|3,0,0]=4 790 B13R2.674 O=C(c1ccsn1)N2CCCC2 WXVL_AN0008SC0764 [0,0,0,1,0,0|3,0,0]=4 791 B13R2.674 O=C(c1ccsn1)N2CCCC2 WXVL_AN0008SC0764 [0,0,0,1,0,0|3,0,0]=4 792 B13R2.674 O=C(c1cnc[nH]1)N2CCCC2 WXVL_AN0008SC0247 [0,0,0,1,0,0|3,0,0]=4 793 B13R2.674 O=C(c1cnc[nH]1)N2CCCC2 WXVL_AN0008SC0247 [0,0,0,1,0,0|3,0,0]=4 794 B13R2.674 O=C(c1cnco1)N2CCCC2 WXVL_AN0008SC0018 [0,0,0,1,0,0|2,0,0]=3 795 B13R2.674 O=C(c1cnco1)N2CCCC2 WXVL_AN0008SC0018 [0,0,0,1,0,0|2,0,0]=3 796 B13R2.674 O=C(c1cncs1)N2CCCC2 WXVL_AN0008SC0113 [0,0,0,1,0,0|2,1,0]=4 797 B13R2.674 O=C(c1cncs1)N2CCCC2 WXVL_AN0008SC0113 [0,0,0,1,0,0|2,1,0]=4 798 B13R2.674 O=C(c1cocn1)N2CCCC2 WXVL_AN0008SC0118 [0,0,0,1,0,0|3,0,0]=4 799 B13R2.674 O=C(c1cocn1)N2CCCC2 WXVL_AN0008SC0118 [0,0,0,1,0,0|3,0,0]=4 800 B13R2.674 O=C(c1cscn1)N2CCCC2 WXVL_AN0008SC0092 [0,0,0,1,0,0|3,0,0]=4 801 B13R2.674 O=C(c1cscn1)N2CCCC2 WXVL_AN0008SC0092 [0,0,0,1,0,0|3,0,0]=4 802 B13R2.674 O=C(c1nccs1)N2CCCC2 WXVL_AN0008SC0110 [0,0,0,1,0,0|2,1,0]=4 803 B13R2.674 O=C(c1nccs1)N2CCCC2 WXVL_AN0008SC0110 [0,0,0,1,0,0|2,1,0]=4 804 B13R1.24 CCCCNC(=O)C1=CCCCO1 WXVL_AK00588SB4858 [0,0,0,0,0,1|1,0,2]=4 805 B13R1.24 CCCCNC(=O)C1=CCCCO1 WXVL_AK00588SB4858 [0,0,0,0,0,1|1,0,2]=4 806 B13R1.24 CCCCNC(=O)c1ccccc1 WXVL_AK00588SD0001 [0,0,0,0,0,1|2,0,0]=3 807 B13R1.24 CCCCNC(=O)c1ccccc1 WXVL_AK00588SD0001 [0,0,0,0,0,1|2,0,0]=3 808 B13R1.24 CCCCNC(=O)c1ccccn1 WXVL_AK00588SC0058 [0,0,0,0,0,1|2,0,0]=3 809 B13R1.24 CCCCNC(=O)c1ccccn1 WXVL_AK00588SC0058 [0,0,0,0,0,1|2,0,0]=3 810 B13R1.24 CCCCNC(=O)c1cccnc1 WXVL_AK00588SC0061 [0,0,0,0,0,1|2,0,0]=3 811 B13R1.24 CCCCNC(=O)c1cccnc1 WXVL_AK00588SC0061 [0,0,0,0,0,1|2,0,0]=3 812 B13R1.24 CCCCNC(=O)c1cccnn1 WXVL_AK00588SC0374 [0,0,0,0,0,1|2,0,0]=3 813 B13R1.24 CCCCNC(=O)c1cccnn1 WXVL_AK00588SC0374 [0,0,0,0,0,1|2,0,0]=3 814 B13R1.24 CCCCNC(=O)c1ccncc1 WXVL_AK00588SC0062 [0,0,0,0,0,1|2,0,0]=3 815 B13R1.24 CCCCNC(=O)c1ccncc1 WXVL_AK00588SC0062 [0,0,0,0,0,1|2,0,0]=3 816 B13R1.24 CCCCNC(=O)c1ccncn1 WXVL_AK00588SC0231 [0,0,0,0,0,1|2,0,0]=3 817 B13R1.24 CCCCNC(=O)c1ccncn1 WXVL_AK00588SC0231 [0,0,0,0,0,1|2,0,0]=3 818 B13R1.24 CCCCNC(=O)c1ccnnc1 WXVL_AK00588SC0064 [0,0,0,0,0,1|3,0,0]=4 819 B13R1.24 CCCCNC(=O)c1ccnnc1 WXVL_AK00588SC0064 [0,0,0,0,0,1|3,0,0]=4 820 B13R1.24 CCCCNC(=O)c1cncnc1 WXVL_AK00588SC0097 [0,0,0,0,0,1|3,0,0]=4 821 B13R1.24 CCCCNC(=O)c1cncnc1 WXVL_AK00588SC0097 [0,0,0,0,0,1|3,0,0]=4 822 B13R1.24 CCCCNC(=O)c1ncccn1 WXVL_AK00588SC0096 [0,0,0,0,0,1|2,0,0]=3 823 B13R1.24 CCCCNC(=O)c1ncccn1 WXVL_AK00588SC0096 [0,0,0,0,0,1|2,0,0]=3 824 B13R1.24 CSCCNC(=O)c1ccccc1 WXVL_AK00440SD0001 [0,0,0,0,0,1|3,0,0]=4 825 B13R1.24 CSCCNC(=O)c1ccccc1 WXVL_AK00440SD0001 [0,0,0,0,0,1|3,0,0]=4 826 B13R1.24 CSCCNC(=O)c1ccccn1 WXVL_AK00440SC0058 [0,0,0,0,0,1|3,0,0]=4 827 B13R1.24 CSCCNC(=O)c1ccccn1 WXVL_AK00440SC0058 [0,0,0,0,0,1|3,0,0]=4 828 B13R1.24 CSCCNC(=O)c1cccnc1 WXVL_AK00440SC0061 [0,0,0,0,0,1|3,0,0]=4 829 B13R1.24 CSCCNC(=O)c1cccnc1 WXVL_AK00440SC0061 [0,0,0,0,0,1|3,0,0]=4 830 B13R1.24 CSCCNC(=O)c1cccnn1 WXVL_AK00440SC0374 [0,0,0,0,0,1|3,0,0]=4 831 B13R1.24 CSCCNC(=O)c1cccnn1 WXVL_AK00440SC0374 [0,0,0,0,0,1|3,0,0]=4 832 B13R1.24 CSCCNC(=O)c1ccncc1 WXVL_AK00440SC0062 [0,0,0,0,0,1|3,0,0]=4 833 B13R1.24 CSCCNC(=O)c1ccncc1 WXVL_AK00440SC0062 [0,0,0,0,0,1|3,0,0]=4 834 B13R1.24 CSCCNC(=O)c1ccncn1 WXVL_AK00440SC0231 [0,0,0,0,0,1|3,0,0]=4 835 B13R1.24 CSCCNC(=O)c1ccncn1 WXVL_AK00440SC0231 [0,0,0,0,0,1|3,0,0]=4 836 B13R1.24 CSCCNC(=O)c1ncccn1 WXVL_AK00440SC0096 [0,0,0,0,0,1|3,0,0]=4 837 B13R1.24 CSCCNC(=O)c1ncccn1 WXVL_AK00440SC0096 [0,0,0,0,0,1|3,0,0]=4 838 B13R1.24 O=C(NCCCO)c1ccccc1 WXVL_AK0073SD0001 [0,0,0,0,0,1|3,0,0]=4 839 B13R1.24 O=C(NCCCO)c1ccccc1 WXVL_AK0073SD0001 [0,0,0,0,0,1|3,0,0]=4 840 B13R1.24 O=C(NCCCO)c1ccccn1 WXVL_AK0073SC0058 [0,0,0,0,0,1|3,0,0]=4 841 B13R1.24 O=C(NCCCO)c1ccccn1 WXVL_AK0073SC0058 [0,0,0,0,0,1|3,0,0]=4 842 B13R1.24 O=C(NCCCO)c1cccnc1 WXVL_AK0073SC0061 [0,0,0,0,0,1|3,0,0]=4 843 B13R1.24 O=C(NCCCO)c1cccnc1 WXVL_AK0073SC0061 [0,0,0,0,0,1|3,0,0]=4 844 B13R1.24 O=C(NCCCO)c1cccnn1 WXVL_AK0073SC0374 [0,0,0,0,0,1|3,0,0]=4 845 B13R1.24 O=C(NCCCO)c1cccnn1 WXVL_AK0073SC0374 [0,0,0,0,0,1|3,0,0]=4 846 B13R1.24 O=C(NCCCO)c1ccncc1 WXVL_AK0073SC0062 [0,0,0,0,0,1|3,0,0]=4 847 B13R1.24 O=C(NCCCO)c1ccncc1 WXVL_AK0073SC0062 [0,0,0,0,0,1|3,0,0]=4 848 B13R1.24 O=C(NCCCO)c1ccncn1 WXVL_AK0073SC0231 [0,0,0,0,0,1|3,0,0]=4 849 B13R1.24 O=C(NCCCO)c1ccncn1 WXVL_AK0073SC0231 [0,0,0,0,0,1|3,0,0]=4 850 B13R1.24 O=C(NCCCO)c1ncccn1 WXVL_AK0073SC0096 [0,0,0,0,0,1|3,0,0]=4 851 B13R1.24 O=C(NCCCO)c1ncccn1 WXVL_AK0073SC0096 [0,0,0,0,0,1|3,0,0]=4 852 B13R1.156 C#CCCCC(=O)Nc1ccno1 WXVL_AF0588SB2709 [0,0,0,0,0,1|1,0,2]=4 853 B13R1.156 C#CCCCC(=O)Nc1ccno1 WXVL_AF0588SB2709 [0,0,0,0,0,1|1,0,2]=4 854 B13R1.156 C#CCCCC(=O)Nc1ncco1 WXVL_AF0235SB2709 [0,0,0,0,0,1|1,0,2]=4 855 B13R1.156 C#CCCCC(=O)Nc1ncco1 WXVL_AF0235SB2709 [0,0,0,0,0,1|1,0,2]=4 856 B13R1.156 C=CCCCC(=O)Nc1ccno1 WXVL_AF0588SB2920 [0,0,0,0,0,1|1,0,2]=4 857 B13R1.156 C=CCCCC(=O)Nc1ccno1 WXVL_AF0588SB2920 [0,0,0,0,0,1|1,0,2]=4 858 B13R1.156 C=CCCCC(=O)Nc1ncco1 WXVL_AF0235SB2920 [0,0,0,0,0,1|1,0,2]=4 859 B13R1.156 C=CCCCC(=O)Nc1ncco1 WXVL_AF0235SB2920 [0,0,0,0,0,1|1,0,2]=4 860 B13R1.156 CC/C=C/CC(=O)Nc1ccno1 WXVL_AF0588SB0349 [0,0,0,0,0,1|1,0,2]=4 861 B13R1.156 CC/C=C/CC(=O)Nc1ccno1 WXVL_AF0588SB0349 [0,0,0,0,0,1|1,0,2]=4 862 B13R1.156 CC/C=C/CC(=O)Nc1ncco1 WXVL_AF0235SB0349 [0,0,0,0,0,1|1,0,2]=4 863 B13R1.156 CC/C=C/CC(=O)Nc1ncco1 WXVL_AF0235SB0349 [0,0,0,0,0,1|1,0,2]=4 864 B13R1.156 CCCCNC(=O)Cc1cccs1 WXVL_AK00588SA0018 [0,0,0,0,0,1|1,1,0]=3 865 B13R1.156 CCCCNC(=O)Cc1cccs1 WXVL_AK00588SA0018 [0,0,0,0,0,1|1,1,0]=3 866 B13R1.156 CCCCNC(=O)Cc1ccn[nH]1 WXVL_AK00588SA00008 [0,0,0,0,0,1|3,0,0]=4 867 B13R1.156 CCCCNC(=O)Cc1ccn[nH]1 WXVL_AK00588SA00008 [0,0,0,0,0,1|3,0,0]=4 868 B13R1.156 CCCCNC(=O)Cc1ccsc1 WXVL_AK00588SA0020 [0,0,0,0,0,1|3,0,0]=4 869 B13R1.156 CCCCNC(=O)Cc1ccsc1 WXVL_AK00588SA0020 [0,0,0,0,0,1|3,0,0]=4 870 B13R1.156 CCCCNC(=O)Cc1cscn1 WXVL_AK00588SA0012 [0,0,0,0,0,1|3,0,0]=4 871 B13R1.156 CCCCNC(=O)Cc1cscn1 WXVL_AK00588SA0012 [0,0,0,0,0,1|3,0,0]=4 872 B13R1.156 CCCCNC(=O)Cn1cccn1 WXVL_AK00588SA0030 [0,0,0,0,0,1|3,0,0]=4 873 B13R1.156 CCCCNC(=O)Cn1cccn1 WXVL_AK00588SA0030 [0,0,0,0,0,1|3,0,0]=4 874 B13R1.156 CSCCNC(=O)Cc1cccs1 WXVL_AK00440SA0018 [0,0,0,0,0,1|2,1,0]=4 875 B13R1.156 CSCCNC(=O)Cc1cccs1 WXVL_AK00440SA0018 [0,0,0,0,0,1|2,1,0]=4 876 B13R1.156 O=C(CCCCBr)Nc1cc[nH]n1 WXVL_AF2373SB3153 [0,0,0,0,0,1|3,0,0]=4 877 B13R1.156 O=C(CCCCBr)Nc1cc[nH]n1 WXVL_AF2373SB3153 [0,0,0,0,0,1|3,0,0]=4 878 B13R1.156 O=C(CCCCBr)Nc1ccn[nH]1 WXVL_AF0122SB3153 [0,0,0,0,0,1|3,0,0]=4 879 B13R1.156 O=C(CCCCBr)Nc1ccn[nH]1 WXVL_AF0122SB3153 [0,0,0,0,0,1|3,0,0]=4 880 B13R1.156 O=C(CCCCBr)Nc1ccno1 WXVL_AF0588SB3153 [0,0,0,0,0,1|2,0,0]=3 881 B13R1.156 O=C(CCCCBr)Nc1ccno1 WXVL_AF0588SB3153 [0,0,0,0,0,1|2,0,0]=3 882 B13R1.156 O=C(CCCCBr)Nc1ccns1 WXVL_AF00325SB3153 [0,0,0,0,0,1|2,1,0]=4 883 B13R1.156 O=C(CCCCBr)Nc1ccns1 WXVL_AF00325SB3153 [0,0,0,0,0,1|2,1,0]=4 884 B13R1.156 O=C(CCCCBr)Nc1ccon1 WXVL_AF0028SB3153 [0,0,0,0,0,1|3,0,0]=4 885 B13R1.156 O=C(CCCCBr)Nc1ccon1 WXVL_AF0028SB3153 [0,0,0,0,0,1|3,0,0]=4 886 B13R1.156 O=C(CCCCBr)Nc1ccsc1 WXVL_AF00105SB3153 [0,0,0,0,0,1|3,0,0]=4 887 B13R1.156 O=C(CCCCBr)Nc1ccsc1 WXVL_AF00105SB3153 [0,0,0,0,0,1|3,0,0]=4 888 B13R1.156 O=C(CCCCBr)Nc1cnc[nH]1 WXVL_AF00103SB3153 [0,0,0,0,0,1|3,0,0]=4 889 B13R1.156 O=C(CCCCBr)Nc1cnc[nH]1 WXVL_AF00103SB3153 [0,0,0,0,0,1|3,0,0]=4 890 B13R1.156 O=C(CCCCBr)Nc1cncs1 WXVL_AF0724SB3153 [0,0,0,0,0,1|2,1,0]=4 891 B13R1.156 O=C(CCCCBr)Nc1cncs1 WXVL_AF0724SB3153 [0,0,0,0,0,1|2,1,0]=4 892 B13R1.156 O=C(CCCCBr)Nc1cscn1 WXVL_AF00216SB3153 [0,0,0,0,0,1|3,0,0]=4 893 B13R1.156 O=C(CCCCBr)Nc1cscn1 WXVL_AF00216SB3153 [0,0,0,0,0,1|3,0,0]=4 894 B13R1.156 O=C(CCCCBr)Nc1ncc[nH]1 WXVL_AF0297SB3153 [0,0,0,0,0,1|3,0,0]=4 895 B13R1.156 O=C(CCCCBr)Nc1ncc[nH]1 WXVL_AF0297SB3153 [0,0,0,0,0,1|3,0,0]=4 896 B13R1.156 O=C(CCCCBr)Nc1ncco1 WXVL_AF0235SB3153 [0,0,0,0,0,1|2,0,0]=3 897 B13R1.156 O=C(CCCCBr)Nc1ncco1 WXVL_AF0235SB3153 [0,0,0,0,0,1|2,0,0]=3 898 B13R1.156 O=C(CCCCBr)Nc1nccs1 WXVL_AF0003SB3153 [0,0,0,0,0,1|2,1,0]=4 899 B13R1.156 O=C(CCCCBr)Nc1nccs1 WXVL_AF0003SB3153 [0,0,0,0,0,1|2,1,0]=4 900 B13R1.156 O=C(CCCCBr)Nc1nnco1 WXVL_AF0087SB3153 [0,0,0,0,0,1|3,0,0]=4 901 B13R1.156 O=C(CCCCBr)Nc1nnco1 WXVL_AF0087SB3153 [0,0,0,0,0,1|3,0,0]=4 902 B13R1.156 O=C(CCCCCl)Nc1cc[nH]n1 WXVL_AF2373SB0379 [0,0,0,0,0,1|3,0,0]=4 903 B13R1.156 O=C(CCCCCl)Nc1cc[nH]n1 WXVL_AF2373SB0379 [0,0,0,0,0,1|3,0,0]=4 904 B13R1.156 O=C(CCCCCl)Nc1ccn[nH]1 WXVL_AF0122SB0379 [0,0,0,0,0,1|3,0,0]=4 905 B13R1.156 O=C(CCCCCl)Nc1ccn[nH]1 WXVL_AF0122SB0379 [0,0,0,0,0,1|3,0,0]=4 906 B13R1.156 O=C(CCCCCl)Nc1ccno1 WXVL_AF0588SB0379 [0,0,0,0,0,1|2,0,0]=3 907 B13R1.156 O=C(CCCCCl)Nc1ccno1 WXVL_AF0588SB0379 [0,0,0,0,0,1|2,0,0]=3 908 B13R1.156 O=C(CCCCCl)Nc1ccns1 WXVL_AF00325SB0379 [0,0,0,0,0,1|2,1,0]=4 909 B13R1.156 O=C(CCCCCl)Nc1ccns1 WXVL_AF00325SB0379 [0,0,0,0,0,1|2,1,0]=4 910 B13R1.156 O=C(CCCCCl)Nc1ccon1 WXVL_AF0028SB0379 [0,0,0,0,0,1|3,0,0]=4 911 B13R1.156 O=C(CCCCCl)Nc1ccon1 WXVL_AF0028SB0379 [0,0,0,0,0,1|3,0,0]=4 912 B13R1.156 O=C(CCCCCl)Nc1ccsc1 WXVL_AF00105SB0379 [0,0,0,0,0,1|3,0,0]=4 913 B13R1.156 O=C(CCCCCl)Nc1ccsc1 WXVL_AF00105SB0379 [0,0,0,0,0,1|3,0,0]=4 914 B13R1.156 O=C(CCCCCl)Nc1cnc[nH]1 WXVL_AF00103SB0379 [0,0,0,0,0,1|3,0,0]=4 915 B13R1.156 O=C(CCCCCl)Nc1cnc[nH]1 WXVL_AF00103SB0379 [0,0,0,0,0,1|3,0,0]=4 916 B13R1.156 O=C(CCCCCl)Nc1cncs1 WXVL_AF0724SB0379 [0,0,0,0,0,1|2,1,0]=4 917 B13R1.156 O=C(CCCCCl)Nc1cncs1 WXVL_AF0724SB0379 [0,0,0,0,0,1|2,1,0]=4 918 B13R1.156 O=C(CCCCCl)Nc1cscn1 WXVL_AF00216SB0379 [0,0,0,0,0,1|3,0,0]=4 919 B13R1.156 O=C(CCCCCl)Nc1cscn1 WXVL_AF00216SB0379 [0,0,0,0,0,1|3,0,0]=4 920 B13R1.156 O=C(CCCCCl)Nc1ncc[nH]1 WXVL_AF0297SB0379 [0,0,0,0,0,1|3,0,0]=4 921 B13R1.156 O=C(CCCCCl)Nc1ncc[nH]1 WXVL_AF0297SB0379 [0,0,0,0,0,1|3,0,0]=4 922 B13R1.156 O=C(CCCCCl)Nc1ncco1 WXVL_AF0235SB0379 [0,0,0,0,0,1|2,0,0]=3 923 B13R1.156 O=C(CCCCCl)Nc1ncco1 WXVL_AF0235SB0379 [0,0,0,0,0,1|2,0,0]=3 924 B13R1.156 O=C(CCCCCl)Nc1nccs1 WXVL_AF0003SB0379 [0,0,0,0,0,1|2,1,0]=4 925 B13R1.156 O=C(CCCCCl)Nc1nccs1 WXVL_AF0003SB0379 [0,0,0,0,0,1|2,1,0]=4 926 B13R1.156 O=C(CCCCCl)Nc1nnco1 WXVL_AF0087SB0379 [0,0,0,0,0,1|3,0,0]=4 927 B13R1.156 O=C(CCCCCl)Nc1nnco1 WXVL_AF0087SB0379 [0,0,0,0,0,1|3,0,0]=4 928 B13R1.156 O=C(Cc1cccs1)NCCCO WXVL_AK0073SA0018 [0,0,0,0,0,1|2,1,0]=4 929 B13R1.156 O=C(Cc1cccs1)NCCCO WXVL_AK0073SA0018 [0,0,0,0,0,1|2,1,0]=4 930 B13R1.156 O=C(NCCCCl)Nc1ccno1 WXVL_AF0588YV0130 [0,0,0,0,0,1|3,0,0]=4 931 B13R1.156 O=C(NCCCCl)Nc1ccno1 WXVL_AF0588YV0130 [0,0,0,0,0,1|3,0,0]=4 932 B13R1.156 O=C(NCCCCl)Nc1ncco1 WXVL_AF0235YV0130 [0,0,0,0,0,1|3,0,0]=4 933 B13R1.156 O=C(NCCCCl)Nc1ncco1 WXVL_AF0235YV0130 [0,0,0,0,0,1|3,0,0]=4 934 B10R0.91 C/C=C/C=C/C(=O)NCCC WXVL_AK00504SB0348 [1,0,1,0,0,0|2,0,0]=4 935 B10R0.91 C/C=C/C=C/C(=O)NCCC WXVL_AK00504SB0348 [1,0,1,0,0,0|2,0,0]=4 936 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [2,0,0,0,0,0|1,0,0]=3 937 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [2,0,0,0,0,0|1,0,0]=3 938 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [2,0,0,0,0,0|1,1,0]=4 939 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [2,0,0,0,0,0|1,1,0]=4 940 B10R1.11 CCNC(=O)c1ccno1 WXVL_AK00476SC0080 [2,0,0,0,0,0|2,0,0]=4 941 B10R1.11 CCNC(=O)c1ccno1 WXVL_AK00476SC0080 [2,0,0,0,0,0|2,0,0]=4 942 B10R1.11 CCNC(=O)c1cnco1 WXVL_AK00476SC0018 [2,0,0,0,0,0|2,0,0]=4 943 B10R1.11 CCNC(=O)c1cnco1 WXVL_AK00476SC0018 [2,0,0,0,0,0|2,0,0]=4 944 B12R0.47 C/C=C/C=C/C(=O)NCCCCC WXVL_AK0076SB0348 [0,1,1,0,0,0|1,0,0]=3 945 B12R0.47 C/C=C/C=C/C(=O)NCCCCC WXVL_AK0076SB0348 [0,1,1,0,0,0|1,0,0]=3 946 B12R0.47 C/C=C/C=C/C(=O)NCCCCO WXVL_AK0075SB0348 [0,1,1,0,0,0|2,0,0]=4 947 B12R0.47 C/C=C/C=C/C(=O)NCCCCO WXVL_AK0075SB0348 [0,1,1,0,0,0|2,0,0]=4 948 B12R0.47 C/C=C/C=C/C(=O)NCCCOC WXVL_AK00637SB0348 [0,1,1,0,0,0|2,0,0]=4 949 B12R0.47 C/C=C/C=C/C(=O)NCCCOC WXVL_AK00637SB0348 [0,1,1,0,0,0|2,0,0]=4 950 B12R0.47 C/C=C/C=C/C(=O)NCCCSC WXVL_AK0965SB0348 [0,1,1,0,0,0|2,0,0]=4 951 B12R0.47 C/C=C/C=C/C(=O)NCCCSC WXVL_AK0965SB0348 [0,1,1,0,0,0|2,0,0]=4 952 B12R0.47 C/C=C/C=C/C(=O)NCCSCC WXVL_AK00494SB0348 [0,1,1,0,0,0|2,0,0]=4 953 B12R0.47 C/C=C/C=C/C(=O)NCCSCC WXVL_AK00494SB0348 [0,1,1,0,0,0|2,0,0]=4 954 B12R0.233 C/C=C/C=C/C(=O)NCCC(C)C WXVL_AK0068SB0348 [0,1,1,0,0,0|2,0,0]=4 955 B12R0.233 C/C=C/C=C/C(=O)NCCC(C)C WXVL_AK0068SB0348 [0,1,1,0,0,0|2,0,0]=4 956 B12R0.239 C/C=C/C=C/C(=O)N[C@@H](C)CCC WXVL_AK00682SB0348 [0,1,1,0,0,0|2,0,0]=4 957 B12R0.239 C/C=C/C=C/C(=O)N[C@@H](C)CCC WXVL_AK00682SB0348 [0,1,1,0,0,0|2,0,0]=4 958 B12R1.15 CC[C@H](C)NC(=O)c1ccco1 WXVL_AK00678SC0049 [1,1,0,0,0,0|1,0,0]=3 959 B12R1.15 CC[C@H](C)NC(=O)c1ccco1 WXVL_AK00678SC0049 [1,1,0,0,0,0|1,0,0]=3 960 B12R1.15 CC[C@H](C)NC(=O)c1cccs1 WXVL_AK00678SC0051 [1,1,0,0,0,0|1,1,0]=4 961 B12R1.15 CC[C@H](C)NC(=O)c1cccs1 WXVL_AK00678SC0051 [1,1,0,0,0,0|1,1,0]=4 962 B12R1.15 CC[C@H](C)NC(=O)c1ccno1 WXVL_AK00678SC0080 [1,1,0,0,0,0|2,0,0]=4 963 B12R1.15 CC[C@H](C)NC(=O)c1ccno1 WXVL_AK00678SC0080 [1,1,0,0,0,0|2,0,0]=4 964 B12R1.15 CC[C@H](C)NC(=O)c1cnco1 WXVL_AK00678SC0018 [1,1,0,0,0,0|2,0,0]=4 965 B12R1.15 CC[C@H](C)NC(=O)c1cnco1 WXVL_AK00678SC0018 [1,1,0,0,0,0|2,0,0]=4 966 B12R1.15 C[C@@H](CF)NC(=O)c1ccco1 WXVL_AK00558SC0049 [1,1,0,0,0,0|2,0,0]=4 967 B12R1.15 C[C@@H](CF)NC(=O)c1ccco1 WXVL_AK00558SC0049 [1,1,0,0,0,0|2,0,0]=4 968 B12R1.15 C[C@@H](CO)NC(=O)c1ccco1 WXVL_AK0109SC0049 [1,1,0,0,0,0|2,0,0]=4 969 B12R1.15 C[C@@H](CO)NC(=O)c1ccco1 WXVL_AK0109SC0049 [1,1,0,0,0,0|2,0,0]=4 970 B12R1.29 CCCNC(=O)c1cc(c[nH]1)Br WXVL_AK00504SC0644 [1,1,0,0,0,0|2,0,0]=4 971 B12R1.29 CCCNC(=O)c1cc(c[nH]1)Br WXVL_AK00504SC0644 [1,1,0,0,0,0|2,0,0]=4 972 B12R1.29 CCCNC(=O)c1cc(c[nH]1)C WXVL_AK00504SC0830 [1,1,0,0,0,0|2,0,0]=4 973 B12R1.29 CCCNC(=O)c1cc(c[nH]1)C WXVL_AK00504SC0830 [1,1,0,0,0,0|2,0,0]=4 974 B12R1.29 CCCNC(=O)c1cc(c[nH]1)F WXVL_AK00504SC0334 [1,1,0,0,0,0|2,0,0]=4 975 B12R1.29 CCCNC(=O)c1cc(c[nH]1)F WXVL_AK00504SC0334 [1,1,0,0,0,0|2,0,0]=4 976 B12R1.29 CCCNC(=O)c1cc(cs1)Br WXVL_AK00504SC0188 [1,1,0,0,0,0|1,1,0]=4 977 B12R1.29 CCCNC(=O)c1cc(cs1)Br WXVL_AK00504SC0188 [1,1,0,0,0,0|1,1,0]=4 978 B12R1.29 CCCNC(=O)c1cc(cs1)C WXVL_AK00504SC0004 [1,1,0,0,0,0|1,1,0]=4 979 B12R1.29 CCCNC(=O)c1cc(cs1)C WXVL_AK00504SC0004 [1,1,0,0,0,0|1,1,0]=4 980 B12R1.29 CCCNC(=O)c1cc(no1)C WXVL_AK00504SC0089 [1,1,0,0,0,0|2,0,0]=4 981 B12R1.29 CCCNC(=O)c1cc(no1)C WXVL_AK00504SC0089 [1,1,0,0,0,0|2,0,0]=4 982 B12R1.29 CCCNC(=O)c1cc(no1)O WXVL_AK00504SC0522 [1,1,0,0,0,0|2,0,0]=4 983 B12R1.29 CCCNC(=O)c1cc(no1)O WXVL_AK00504SC0522 [1,1,0,0,0,0|2,0,0]=4 984 B12R1.29 CCCNC(=O)c1ccc(o1)C WXVL_AK00504SC0005 [1,1,0,0,0,0|1,0,0]=3 985 B12R1.29 CCCNC(=O)c1ccc(o1)C WXVL_AK00504SC0005 [1,1,0,0,0,0|1,0,0]=3 986 B12R1.29 CCCNC(=O)c1ccc(o1)Cl WXVL_AK00504SC0926 [1,1,0,0,0,0|1,0,0]=3 987 B12R1.29 CCCNC(=O)c1ccc(o1)Cl WXVL_AK00504SC0926 [1,1,0,0,0,0|1,0,0]=3 988 B12R1.29 CCCNC(=O)c1ccc(s1)Br WXVL_AK00504SC0359 [1,1,0,0,0,0|1,1,0]=4 989 B12R1.29 CCCNC(=O)c1ccc(s1)Br WXVL_AK00504SC0359 [1,1,0,0,0,0|1,1,0]=4 990 B12R1.29 CCCNC(=O)c1ccc(s1)C WXVL_AK00504SC0053 [1,1,0,0,0,0|1,1,0]=4 991 B12R1.29 CCCNC(=O)c1ccc(s1)C WXVL_AK00504SC0053 [1,1,0,0,0,0|1,1,0]=4 992 B12R1.29 CCCNC(=O)c1ccc(s1)Cl WXVL_AK00504SC0067 [1,1,0,0,0,0|1,1,0]=4 993 B12R1.29 CCCNC(=O)c1ccc(s1)Cl WXVL_AK00504SC0067 [1,1,0,0,0,0|1,1,0]=4 994 B12R1.29 CCCNC(=O)c1cnc(o1)Br WXVL_AK00504SC0815 [1,1,0,0,0,0|2,0,0]=4 995 B12R1.29 CCCNC(=O)c1cnc(o1)Br WXVL_AK00504SC0815 [1,1,0,0,0,0|2,0,0]=4 996 B12R1.29 Cc1ccc(o1)C(=O)NCCF WXVL_AK00466SC0005 [1,1,0,0,0,0|2,0,0]=4 997 B12R1.29 Cc1ccc(o1)C(=O)NCCF WXVL_AK00466SC0005 [1,1,0,0,0,0|2,0,0]=4 998 B12R1.29 O=C(NCCF)c1ccc(o1)Cl WXVL_AK00466SC0926 [1,1,0,0,0,0|2,0,0]=4 999 B12R1.29 O=C(NCCF)c1ccc(o1)Cl WXVL_AK00466SC0926 [1,1,0,0,0,0|2,0,0]=4 1000 B12R1.54 C=C(C)CNC(=O)c1ccco1 WXVL_AK0761SC0049 [1,1,0,0,0,0|1,0,1]=4 1001 B12R1.54 C=C(C)CNC(=O)c1ccco1 WXVL_AK0761SC0049 [1,1,0,0,0,0|1,0,1]=4 1002 B12R1.54 CC(C)CNC(=O)c1ccco1 WXVL_AK00544SC0049 [1,1,0,0,0,0|1,0,0]=3 1003 B12R1.54 CC(C)CNC(=O)c1ccco1 WXVL_AK00544SC0049 [1,1,0,0,0,0|1,0,0]=3 1004 B12R1.54 CC(C)CNC(=O)c1cccs1 WXVL_AK00544SC0051 [1,1,0,0,0,0|1,1,0]=4 1005 B12R1.54 CC(C)CNC(=O)c1cccs1 WXVL_AK00544SC0051 [1,1,0,0,0,0|1,1,0]=4 1006 B12R1.54 CC(C)CNC(=O)c1ccno1 WXVL_AK00544SC0080 [1,1,0,0,0,0|2,0,0]=4 1007 B12R1.54 CC(C)CNC(=O)c1ccno1 WXVL_AK00544SC0080 [1,1,0,0,0,0|2,0,0]=4 1008 B12R1.54 CC(C)CNC(=O)c1cnco1 WXVL_AK00544SC0018 [1,1,0,0,0,0|2,0,0]=4 1009 B12R1.54 CC(C)CNC(=O)c1cnco1 WXVL_AK00544SC0018 [1,1,0,0,0,0|2,0,0]=4 1010 B12R1.54 CC(O)CNC(=O)c1ccco1 WXVL_AK0052SC0049 [1,1,0,0,0,0|1,0,0]=3 1011 B12R1.54 CC(O)CNC(=O)c1ccco1 WXVL_AK0052SC0049 [1,1,0,0,0,0|1,0,0]=3 1012 B12R1.54 CC(O)CNC(=O)c1cccs1 WXVL_AK0052SC0051 [1,1,0,0,0,0|1,1,0]=4 1013 B12R1.54 CC(O)CNC(=O)c1cccs1 WXVL_AK0052SC0051 [1,1,0,0,0,0|1,1,0]=4 1014 B12R1.54 CC(O)CNC(=O)c1ccno1 WXVL_AK0052SC0080 [1,1,0,0,0,0|2,0,0]=4 1015 B12R1.54 CC(O)CNC(=O)c1ccno1 WXVL_AK0052SC0080 [1,1,0,0,0,0|2,0,0]=4 1016 B12R1.54 CC(O)CNC(=O)c1cnco1 WXVL_AK0052SC0018 [1,1,0,0,0,0|2,0,0]=4 1017 B12R1.54 CC(O)CNC(=O)c1cnco1 WXVL_AK0052SC0018 [1,1,0,0,0,0|2,0,0]=4 1018 B12R1.54 C[C@H](O)CNC(=O)c1ccco1 WXVL_AK0113SC0049 [1,1,0,0,0,0|1,0,0]=3 1019 B12R1.54 C[C@H](O)CNC(=O)c1ccco1 WXVL_AK0113SC0049 [1,1,0,0,0,0|1,0,0]=3 1020 B12R1.54 C[C@H](O)CNC(=O)c1cccs1 WXVL_AK0113SC0051 [1,1,0,0,0,0|1,1,0]=4 1021 B12R1.54 C[C@H](O)CNC(=O)c1cccs1 WXVL_AK0113SC0051 [1,1,0,0,0,0|1,1,0]=4 1022 B12R1.54 C[C@H](O)CNC(=O)c1ccno1 WXVL_AK0113SC0080 [1,1,0,0,0,0|2,0,0]=4 1023 B12R1.54 C[C@H](O)CNC(=O)c1ccno1 WXVL_AK0113SC0080 [1,1,0,0,0,0|2,0,0]=4 1024 B12R1.54 C[C@H](O)CNC(=O)c1cnco1 WXVL_AK0113SC0018 [1,1,0,0,0,0|2,0,0]=4 1025 B12R1.54 C[C@H](O)CNC(=O)c1cnco1 WXVL_AK0113SC0018 [1,1,0,0,0,0|2,0,0]=4 1026 B12R1.54 O=C(NCC(F)F)c1ccco1 WXVL_AK0136SC0049 [1,1,0,0,0,0|2,0,0]=4 1027 B12R1.54 O=C(NCC(F)F)c1ccco1 WXVL_AK0136SC0049 [1,1,0,0,0,0|2,0,0]=4 1028 B12R1.55 CCNC(=O)C(=O)c1ccco1 WXVL_AK00476SA0049 [1,1,0,0,0,0|1,0,1]=4 1029 B12R1.55 CCNC(=O)C(=O)c1ccco1 WXVL_AK00476SA0049 [1,1,0,0,0,0|1,0,1]=4 1030 B12R1.55 CN(CCO)C(=O)c1ccco1 WXVL_AN2670SC0049 [1,1,0,0,0,0|2,0,0]=4 1031 B12R1.55 CN(CCO)C(=O)c1ccco1 WXVL_AN2670SC0049 [1,1,0,0,0,0|2,0,0]=4 1032 B12R1.460 CCCNC(=O)c1[nH]ccc1C WXVL_AK00504SC1315 [1,1,0,0,0,0|2,0,0]=4 1033 B12R1.460 CCCNC(=O)c1[nH]ccc1C WXVL_AK00504SC1315 [1,1,0,0,0,0|2,0,0]=4 1034 B12R1.460 CCCNC(=O)c1occc1Br WXVL_AK00504SC0241 [1,1,0,0,0,0|1,0,0]=3 1035 B12R1.460 CCCNC(=O)c1occc1Br WXVL_AK00504SC0241 [1,1,0,0,0,0|1,0,0]=3 1036 B12R1.460 CCCNC(=O)c1occc1C WXVL_AK00504SC0230 [1,1,0,0,0,0|1,0,0]=3 1037 B12R1.460 CCCNC(=O)c1occc1C WXVL_AK00504SC0230 [1,1,0,0,0,0|1,0,0]=3 1038 B12R1.460 CCCNC(=O)c1ocnc1C WXVL_AK00504SC0103 [1,1,0,0,0,0|2,0,0]=4 1039 B12R1.460 CCCNC(=O)c1ocnc1C WXVL_AK00504SC0103 [1,1,0,0,0,0|2,0,0]=4 1040 B12R1.460 CCCNC(=O)c1oncc1C WXVL_AK00504SC0912 [1,1,0,0,0,0|2,0,0]=4 1041 B12R1.460 CCCNC(=O)c1oncc1C WXVL_AK00504SC0912 [1,1,0,0,0,0|2,0,0]=4 1042 B12R1.460 CCCNC(=O)c1sccc1Br WXVL_AK00504SC0364 [1,1,0,0,0,0|1,1,0]=4 1043 B12R1.460 CCCNC(=O)c1sccc1Br WXVL_AK00504SC0364 [1,1,0,0,0,0|1,1,0]=4 1044 B12R1.460 CCCNC(=O)c1sccc1C WXVL_AK00504SC0052 [1,1,0,0,0,0|1,1,0]=4 1045 B12R1.460 CCCNC(=O)c1sccc1C WXVL_AK00504SC0052 [1,1,0,0,0,0|1,1,0]=4 1046 B12R1.460 CCCNC(=O)c1sccc1Cl WXVL_AK00504SC0756 [1,1,0,0,0,0|1,1,0]=4 1047 B12R1.460 CCCNC(=O)c1sccc1Cl WXVL_AK00504SC0756 [1,1,0,0,0,0|1,1,0]=4 1048 B12R1.460 CCCNC(=O)c1sccc1F WXVL_AK00504SC0017 [1,1,0,0,0,0|1,1,0]=4 1049 B12R1.460 CCCNC(=O)c1sccc1F WXVL_AK00504SC0017 [1,1,0,0,0,0|1,1,0]=4 1050 B12R1.460 CCCNC(=O)c1sccc1I WXVL_AK00504SC1579 [1,1,0,0,0,0|1,1,0]=4 1051 B12R1.460 CCCNC(=O)c1sccc1I WXVL_AK00504SC1579 [1,1,0,0,0,0|1,1,0]=4 1052 B12R1.460 Cc1ccoc1C(=O)NCCF WXVL_AK00466SC0230 [1,1,0,0,0,0|2,0,0]=4 1053 B12R1.460 Cc1ccoc1C(=O)NCCF WXVL_AK00466SC0230 [1,1,0,0,0,0|2,0,0]=4 1054 B12R1.460 O=C(NCCF)c1occc1Br WXVL_AK00466SC0241 [1,1,0,0,0,0|2,0,0]=4 1055 B12R1.460 O=C(NCCF)c1occc1Br WXVL_AK00466SC0241 [1,1,0,0,0,0|2,0,0]=4 1056 B14R1.19 CCCCNC(=O)c1cc[n+](cc1)[O-] WXVL_AK00588SC0858 [0,1,0,0,0,1|2,0,0]=4 1057 B14R1.19 CCCCNC(=O)c1cc[n+](cc1)[O-] WXVL_AK00588SC0858 [0,1,0,0,0,1|2,0,0]=4 1058 B14R1.19 CCCCNC(=O)c1ccc(=O)[nH]c1 WXVL_AK00588SC2212 [0,1,0,0,0,1|2,0,0]=4 1059 B14R1.19 CCCCNC(=O)c1ccc(=O)[nH]c1 WXVL_AK00588SC2212 [0,1,0,0,0,1|2,0,0]=4 1060 B14R1.19 CCCCNC(=O)c1ccc(=O)oc1 WXVL_AK00588SC0132 [0,1,0,0,0,1|1,0,0]=3 1061 B14R1.19 CCCCNC(=O)c1ccc(=O)oc1 WXVL_AK00588SC0132 [0,1,0,0,0,1|1,0,0]=3 1062 B14R1.19 CCCCNC(=O)c1ccc(cc1)Br WXVL_AK00588SD0060 [0,1,0,0,0,1|2,0,0]=4 1063 B14R1.19 CCCCNC(=O)c1ccc(cc1)Br WXVL_AK00588SD0060 [0,1,0,0,0,1|2,0,0]=4 1064 B14R1.19 CCCCNC(=O)c1ccc(cc1)C WXVL_AK00588SD0078 [0,1,0,0,0,1|2,0,0]=4 1065 B14R1.19 CCCCNC(=O)c1ccc(cc1)C WXVL_AK00588SD0078 [0,1,0,0,0,1|2,0,0]=4 1066 B14R1.19 CCCCNC(=O)c1ccc(cc1)Cl WXVL_AK00588SD0062 [0,1,0,0,0,1|2,0,0]=4 1067 B14R1.19 CCCCNC(=O)c1ccc(cc1)Cl WXVL_AK00588SD0062 [0,1,0,0,0,1|2,0,0]=4 1068 B14R1.19 CCCCNC(=O)c1ccc(cc1)F WXVL_AK00588SD0061 [0,1,0,0,0,1|2,0,0]=4 1069 B14R1.19 CCCCNC(=O)c1ccc(cc1)F WXVL_AK00588SD0061 [0,1,0,0,0,1|2,0,0]=4 1070 B14R1.19 CCCCNC(=O)c1ccc(cc1)I WXVL_AK00588SD0421 [0,1,0,0,0,1|2,0,0]=4 1071 B14R1.19 CCCCNC(=O)c1ccc(cc1)I WXVL_AK00588SD0421 [0,1,0,0,0,1|2,0,0]=4 1072 B14R1.19 CCCCNC(=O)c1ccc(cc1)O WXVL_AK00588SD0069 [0,1,0,0,0,1|2,0,0]=4 1073 B14R1.19 CCCCNC(=O)c1ccc(cc1)O WXVL_AK00588SD0069 [0,1,0,0,0,1|2,0,0]=4 1074 B14R1.19 CCCCNC(=O)c1ccc(cc1)S WXVL_AK00588SD0154 [0,1,0,0,0,1|2,0,0]=4 1075 B14R1.19 CCCCNC(=O)c1ccc(cc1)S WXVL_AK00588SD0154 [0,1,0,0,0,1|2,0,0]=4 1076 B14R1.19 CCCCNC(=O)c1ccc(cn1)Br WXVL_AK00588SC0363 [0,1,0,0,0,1|2,0,0]=4 1077 B14R1.19 CCCCNC(=O)c1ccc(cn1)Br WXVL_AK00588SC0363 [0,1,0,0,0,1|2,0,0]=4 1078 B14R1.19 CCCCNC(=O)c1ccc(cn1)C WXVL_AK00588SC0104 [0,1,0,0,0,1|2,0,0]=4 1079 B14R1.19 CCCCNC(=O)c1ccc(cn1)C WXVL_AK00588SC0104 [0,1,0,0,0,1|2,0,0]=4 1080 B14R1.19 CCCCNC(=O)c1ccc(cn1)Cl WXVL_AK00588SC0381 [0,1,0,0,0,1|2,0,0]=4 1081 B14R1.19 CCCCNC(=O)c1ccc(cn1)Cl WXVL_AK00588SC0381 [0,1,0,0,0,1|2,0,0]=4 1082 B14R1.19 CCCCNC(=O)c1ccc(cn1)F WXVL_AK00588SC0114 [0,1,0,0,0,1|2,0,0]=4 1083 B14R1.19 CCCCNC(=O)c1ccc(cn1)F WXVL_AK00588SC0114 [0,1,0,0,0,1|2,0,0]=4 1084 B14R1.19 CCCCNC(=O)c1ccc(cn1)O WXVL_AK00588SC0130 [0,1,0,0,0,1|2,0,0]=4 1085 B14R1.19 CCCCNC(=O)c1ccc(cn1)O WXVL_AK00588SC0130 [0,1,0,0,0,1|2,0,0]=4 1086 B14R1.19 CCCCNC(=O)c1ccc(nc1)Br WXVL_AK00588SC0352 [0,1,0,0,0,1|2,0,0]=4 1087 B14R1.19 CCCCNC(=O)c1ccc(nc1)Br WXVL_AK00588SC0352 [0,1,0,0,0,1|2,0,0]=4 1088 B14R1.19 CCCCNC(=O)c1ccc(nc1)C WXVL_AK00588SC0060 [0,1,0,0,0,1|2,0,0]=4 1089 B14R1.19 CCCCNC(=O)c1ccc(nc1)C WXVL_AK00588SC0060 [0,1,0,0,0,1|2,0,0]=4 1090 B14R1.19 CCCCNC(=O)c1ccc(nc1)Cl WXVL_AK00588SC0147 [0,1,0,0,0,1|2,0,0]=4 1091 B14R1.19 CCCCNC(=O)c1ccc(nc1)Cl WXVL_AK00588SC0147 [0,1,0,0,0,1|2,0,0]=4 1092 B14R1.19 CCCCNC(=O)c1ccc(nc1)F WXVL_AK00588SC0370 [0,1,0,0,0,1|2,0,0]=4 1093 B14R1.19 CCCCNC(=O)c1ccc(nc1)F WXVL_AK00588SC0370 [0,1,0,0,0,1|2,0,0]=4 1094 B14R1.19 CCCCNC(=O)c1ccc(nc1)O WXVL_AK00588SC0057 [0,1,0,0,0,1|2,0,0]=4 1095 B14R1.19 CCCCNC(=O)c1ccc(nc1)O WXVL_AK00588SC0057 [0,1,0,0,0,1|2,0,0]=4 1096 B14R1.19 CCCCNC(=O)c1cnc(cn1)C WXVL_AK00588SC0072 [0,1,0,0,0,1|2,0,0]=4 1097 B14R1.19 CCCCNC(=O)c1cnc(cn1)C WXVL_AK00588SC0072 [0,1,0,0,0,1|2,0,0]=4 1098 B14R1.19 CCCCNC(=O)c1cnc(cn1)Cl WXVL_AK00588SC0383 [0,1,0,0,0,1|2,0,0]=4 1099 B14R1.19 CCCCNC(=O)c1cnc(cn1)Cl WXVL_AK00588SC0383 [0,1,0,0,0,1|2,0,0]=4 1100 B14R1.19 CCCCNC(=O)c1ncc(cn1)Cl WXVL_AK00588SC0029 [0,1,0,0,0,1|2,0,0]=4 1101 B14R1.19 CCCCNC(=O)c1ncc(cn1)Cl WXVL_AK00588SC0029 [0,1,0,0,0,1|2,0,0]=4 1102 B14R1.19 CSCCNC(=O)c1ccc(=O)oc1 WXVL_AK00440SC0132 [0,1,0,0,0,1|2,0,0]=4 1103 B14R1.19 CSCCNC(=O)c1ccc(=O)oc1 WXVL_AK00440SC0132 [0,1,0,0,0,1|2,0,0]=4 1104 B14R1.19 O=C(NCCCO)c1ccc(=O)oc1 WXVL_AK0073SC0132 [0,1,0,0,0,1|2,0,0]=4 1105 B14R1.19 O=C(NCCCO)c1ccc(=O)oc1 WXVL_AK0073SC0132 [0,1,0,0,0,1|2,0,0]=4 1106 B14R1.20 CCCCNC(=O)C1=CC=NC(=O)C1 WXVL_AK00588SC0016 [0,1,0,0,0,1|2,0,0]=4 1107 B14R1.20 CCCCNC(=O)C1=CC=NC(=O)C1 WXVL_AK00588SC0016 [0,1,0,0,0,1|2,0,0]=4 1108 B14R1.20 CCCCNC(=O)c1cc(=O)cco1 WXVL_AK00588SC0133 [0,1,0,0,0,1|1,0,0]=3 1109 B14R1.20 CCCCNC(=O)c1cc(=O)cco1 WXVL_AK00588SC0133 [0,1,0,0,0,1|1,0,0]=3 1110 B14R1.20 CCCCNC(=O)c1cc(ccn1)Br WXVL_AK00588SC0243 [0,1,0,0,0,1|2,0,0]=4 1111 B14R1.20 CCCCNC(=O)c1cc(ccn1)Br WXVL_AK00588SC0243 [0,1,0,0,0,1|2,0,0]=4 1112 B14R1.20 CCCCNC(=O)c1cc(ccn1)C WXVL_AK00588SC0235 [0,1,0,0,0,1|2,0,0]=4 1113 B14R1.20 CCCCNC(=O)c1cc(ccn1)C WXVL_AK00588SC0235 [0,1,0,0,0,1|2,0,0]=4 1114 B14R1.20 CCCCNC(=O)c1cc(ccn1)Cl WXVL_AK00588SC0373 [0,1,0,0,0,1|2,0,0]=4 1115 B14R1.20 CCCCNC(=O)c1cc(ccn1)Cl WXVL_AK00588SC0373 [0,1,0,0,0,1|2,0,0]=4 1116 B14R1.20 CCCCNC(=O)c1cc(ncn1)Cl WXVL_AK00588SC0775 [0,1,0,0,0,1|2,0,0]=4 1117 B14R1.20 CCCCNC(=O)c1cc(ncn1)Cl WXVL_AK00588SC0775 [0,1,0,0,0,1|2,0,0]=4 1118 B14R1.20 CCCCNC(=O)c1cc(ncn1)O WXVL_AK00588SC0001 [0,1,0,0,0,1|2,0,0]=4 1119 B14R1.20 CCCCNC(=O)c1cc(ncn1)O WXVL_AK00588SC0001 [0,1,0,0,0,1|2,0,0]=4 1120 B14R1.20 CCCCNC(=O)c1ccc[n+](c1)[O-] WXVL_AK00588SC1039 [0,1,0,0,0,1|2,0,0]=4 1121 B14R1.20 CCCCNC(=O)c1ccc[n+](c1)[O-] WXVL_AK00588SC1039 [0,1,0,0,0,1|2,0,0]=4 1122 B14R1.20 CCCCNC(=O)c1cccc(c1)Br WXVL_AK00588SD0041 [0,1,0,0,0,1|2,0,0]=4 1123 B14R1.20 CCCCNC(=O)c1cccc(c1)Br WXVL_AK00588SD0041 [0,1,0,0,0,1|2,0,0]=4 1124 B14R1.20 CCCCNC(=O)c1cccc(c1)C WXVL_AK00588SD0056 [0,1,0,0,0,1|2,0,0]=4 1125 B14R1.20 CCCCNC(=O)c1cccc(c1)C WXVL_AK00588SD0056 [0,1,0,0,0,1|2,0,0]=4 1126 B14R1.20 CCCCNC(=O)c1cccc(c1)Cl WXVL_AK00588SD0045 [0,1,0,0,0,1|2,0,0]=4 1127 B14R1.20 CCCCNC(=O)c1cccc(c1)Cl WXVL_AK00588SD0045 [0,1,0,0,0,1|2,0,0]=4 1128 B14R1.20 CCCCNC(=O)c1cccc(c1)F WXVL_AK00588SD0043 [0,1,0,0,0,1|2,0,0]=4 1129 B14R1.20 CCCCNC(=O)c1cccc(c1)F WXVL_AK00588SD0043 [0,1,0,0,0,1|2,0,0]=4 1130 B14R1.20 CCCCNC(=O)c1cccc(c1)I WXVL_AK00588SD0405 [0,1,0,0,0,1|2,0,0]=4 1131 B14R1.20 CCCCNC(=O)c1cccc(c1)I WXVL_AK00588SD0405 [0,1,0,0,0,1|2,0,0]=4 1132 B14R1.20 CCCCNC(=O)c1cccc(c1)O WXVL_AK00588SD1724 [0,1,0,0,0,1|2,0,0]=4 1133 B14R1.20 CCCCNC(=O)c1cccc(c1)O WXVL_AK00588SD1724 [0,1,0,0,0,1|2,0,0]=4 1134 B14R1.20 CCCCNC(=O)c1cccc(n1)Br WXVL_AK00588SC0366 [0,1,0,0,0,1|2,0,0]=4 1135 B14R1.20 CCCCNC(=O)c1cccc(n1)Br WXVL_AK00588SC0366 [0,1,0,0,0,1|2,0,0]=4 1136 B14R1.20 CCCCNC(=O)c1cccc(n1)F WXVL_AK00588SC0386 [0,1,0,0,0,1|2,0,0]=4 1137 B14R1.20 CCCCNC(=O)c1cccc(n1)F WXVL_AK00588SC0386 [0,1,0,0,0,1|2,0,0]=4 1138 B14R1.20 CCCCNC(=O)c1cccc(n1)O WXVL_AK00588SC0084 [0,1,0,0,0,1|2,0,0]=4 1139 B14R1.20 CCCCNC(=O)c1cccc(n1)O WXVL_AK00588SC0084 [0,1,0,0,0,1|2,0,0]=4 1140 B14R1.20 CCCCNC(=O)c1ccnc(c1)Br WXVL_AK00588SC0349 [0,1,0,0,0,1|2,0,0]=4 1141 B14R1.20 CCCCNC(=O)c1ccnc(c1)Br WXVL_AK00588SC0349 [0,1,0,0,0,1|2,0,0]=4 1142 B14R1.20 CCCCNC(=O)c1ccnc(c1)C WXVL_AK00588SC0400 [0,1,0,0,0,1|2,0,0]=4 1143 B14R1.20 CCCCNC(=O)c1ccnc(c1)C WXVL_AK00588SC0400 [0,1,0,0,0,1|2,0,0]=4 1144 B14R1.20 CCCCNC(=O)c1ccnc(c1)Cl WXVL_AK00588SC0083 [0,1,0,0,0,1|2,0,0]=4 1145 B14R1.20 CCCCNC(=O)c1ccnc(c1)Cl WXVL_AK00588SC0083 [0,1,0,0,0,1|2,0,0]=4 1146 B14R1.20 CCCCNC(=O)c1ccnc(c1)F WXVL_AK00588SC0015 [0,1,0,0,0,1|2,0,0]=4 1147 B14R1.20 CCCCNC(=O)c1ccnc(c1)F WXVL_AK00588SC0015 [0,1,0,0,0,1|2,0,0]=4 1148 B14R1.20 CCCCNC(=O)c1ccnc(c1)O WXVL_AK00588SC0131 [0,1,0,0,0,1|2,0,0]=4 1149 B14R1.20 CCCCNC(=O)c1ccnc(c1)O WXVL_AK00588SC0131 [0,1,0,0,0,1|2,0,0]=4 1150 B14R1.20 CCCCNC(=O)c1ccnc(n1)C WXVL_AK00588SC0296 [0,1,0,0,0,1|2,0,0]=4 1151 B14R1.20 CCCCNC(=O)c1ccnc(n1)C WXVL_AK00588SC0296 [0,1,0,0,0,1|2,0,0]=4 1152 B14R1.20 CCCCNC(=O)c1ccnc(n1)Cl WXVL_AK00588SC0392 [0,1,0,0,0,1|2,0,0]=4 1153 B14R1.20 CCCCNC(=O)c1ccnc(n1)Cl WXVL_AK00588SC0392 [0,1,0,0,0,1|2,0,0]=4 1154 B14R1.20 CCCCNC(=O)c1cncc(c1)Br WXVL_AK00588SC0369 [0,1,0,0,0,1|2,0,0]=4 1155 B14R1.20 CCCCNC(=O)c1cncc(c1)Br WXVL_AK00588SC0369 [0,1,0,0,0,1|2,0,0]=4 1156 B14R1.20 CCCCNC(=O)c1cncc(c1)C WXVL_AK00588SC0095 [0,1,0,0,0,1|2,0,0]=4 1157 B14R1.20 CCCCNC(=O)c1cncc(c1)C WXVL_AK00588SC0095 [0,1,0,0,0,1|2,0,0]=4 1158 B14R1.20 CCCCNC(=O)c1cncc(c1)Cl WXVL_AK00588SC0291 [0,1,0,0,0,1|2,0,0]=4 1159 B14R1.20 CCCCNC(=O)c1cncc(c1)Cl WXVL_AK00588SC0291 [0,1,0,0,0,1|2,0,0]=4 1160 B14R1.20 CCCCNC(=O)c1cncc(c1)F WXVL_AK00588SC0102 [0,1,0,0,0,1|2,0,0]=4 1161 B14R1.20 CCCCNC(=O)c1cncc(c1)F WXVL_AK00588SC0102 [0,1,0,0,0,1|2,0,0]=4 1162 B14R1.20 CCCCNC(=O)c1cncc(c1)O WXVL_AK00588SC0333 [0,1,0,0,0,1|2,0,0]=4 1163 B14R1.20 CCCCNC(=O)c1cncc(c1)O WXVL_AK00588SC0333 [0,1,0,0,0,1|2,0,0]=4 1164 B14R1.20 CCCCNC(=O)c1cncc(n1)C WXVL_AK00588SC0391 [0,1,0,0,0,1|2,0,0]=4 1165 B14R1.20 CCCCNC(=O)c1cncc(n1)C WXVL_AK00588SC0391 [0,1,0,0,0,1|2,0,0]=4 1166 B14R1.20 CSCCNC(=O)c1cc(=O)cco1 WXVL_AK00440SC0133 [0,1,0,0,0,1|2,0,0]=4 1167 B14R1.20 CSCCNC(=O)c1cc(=O)cco1 WXVL_AK00440SC0133 [0,1,0,0,0,1|2,0,0]=4 1168 B14R1.20 O=C(NCCCO)c1cc(=O)cco1 WXVL_AK0073SC0133 [0,1,0,0,0,1|2,0,0]=4 1169 B14R1.20 O=C(NCCCO)c1cc(=O)cco1 WXVL_AK0073SC0133 [0,1,0,0,0,1|2,0,0]=4 1170 B14R1.29 CCC[C@H](C)NC(=O)c1ccccc1 WXVL_AK00682SD0001 [0,1,0,0,0,1|2,0,0]=4 1171 B14R1.29 CCC[C@H](C)NC(=O)c1ccccc1 WXVL_AK00682SD0001 [0,1,0,0,0,1|2,0,0]=4 1172 B14R1.29 CCC[C@H](C)NC(=O)c1ccccn1 WXVL_AK00682SC0058 [0,1,0,0,0,1|2,0,0]=4 1173 B14R1.29 CCC[C@H](C)NC(=O)c1ccccn1 WXVL_AK00682SC0058 [0,1,0,0,0,1|2,0,0]=4 1174 B14R1.29 CCC[C@H](C)NC(=O)c1cccnc1 WXVL_AK00682SC0061 [0,1,0,0,0,1|2,0,0]=4 1175 B14R1.29 CCC[C@H](C)NC(=O)c1cccnc1 WXVL_AK00682SC0061 [0,1,0,0,0,1|2,0,0]=4 1176 B14R1.29 CCC[C@H](C)NC(=O)c1cccnn1 WXVL_AK00682SC0374 [0,1,0,0,0,1|2,0,0]=4 1177 B14R1.29 CCC[C@H](C)NC(=O)c1cccnn1 WXVL_AK00682SC0374 [0,1,0,0,0,1|2,0,0]=4 1178 B14R1.29 CCC[C@H](C)NC(=O)c1ccncc1 WXVL_AK00682SC0062 [0,1,0,0,0,1|2,0,0]=4 1179 B14R1.29 CCC[C@H](C)NC(=O)c1ccncc1 WXVL_AK00682SC0062 [0,1,0,0,0,1|2,0,0]=4 1180 B14R1.29 CCC[C@H](C)NC(=O)c1ccncn1 WXVL_AK00682SC0231 [0,1,0,0,0,1|2,0,0]=4 1181 B14R1.29 CCC[C@H](C)NC(=O)c1ccncn1 WXVL_AK00682SC0231 [0,1,0,0,0,1|2,0,0]=4 1182 B14R1.29 CCC[C@H](C)NC(=O)c1ncccn1 WXVL_AK00682SC0096 [0,1,0,0,0,1|2,0,0]=4 1183 B14R1.29 CCC[C@H](C)NC(=O)c1ncccn1 WXVL_AK00682SC0096 [0,1,0,0,0,1|2,0,0]=4 1184 B14R1.38 CCCCCNC(=O)C1=CCCCO1 WXVL_AK0076SB4858 [0,1,0,0,0,1|0,0,2]=4 1185 B14R1.38 CCCCCNC(=O)C1=CCCCO1 WXVL_AK0076SB4858 [0,1,0,0,0,1|0,0,2]=4 1186 B14R1.38 CCCCCNC(=O)c1ccccc1 WXVL_AK0076SD0001 [0,1,0,0,0,1|1,0,0]=3 1187 B14R1.38 CCCCCNC(=O)c1ccccc1 WXVL_AK0076SD0001 [0,1,0,0,0,1|1,0,0]=3 1188 B14R1.38 CCCCCNC(=O)c1ccccn1 WXVL_AK0076SC0058 [0,1,0,0,0,1|1,0,0]=3 1189 B14R1.38 CCCCCNC(=O)c1ccccn1 WXVL_AK0076SC0058 [0,1,0,0,0,1|1,0,0]=3 1190 B14R1.38 CCCCCNC(=O)c1cccnc1 WXVL_AK0076SC0061 [0,1,0,0,0,1|1,0,0]=3 1191 B14R1.38 CCCCCNC(=O)c1cccnc1 WXVL_AK0076SC0061 [0,1,0,0,0,1|1,0,0]=3 1192 B14R1.38 CCCCCNC(=O)c1cccnn1 WXVL_AK0076SC0374 [0,1,0,0,0,1|1,0,0]=3 1193 B14R1.38 CCCCCNC(=O)c1cccnn1 WXVL_AK0076SC0374 [0,1,0,0,0,1|1,0,0]=3 1194 B14R1.38 CCCCCNC(=O)c1ccncc1 WXVL_AK0076SC0062 [0,1,0,0,0,1|1,0,0]=3 1195 B14R1.38 CCCCCNC(=O)c1ccncc1 WXVL_AK0076SC0062 [0,1,0,0,0,1|1,0,0]=3 1196 B14R1.38 CCCCCNC(=O)c1ccncn1 WXVL_AK0076SC0231 [0,1,0,0,0,1|1,0,0]=3 1197 B14R1.38 CCCCCNC(=O)c1ccncn1 WXVL_AK0076SC0231 [0,1,0,0,0,1|1,0,0]=3 1198 B14R1.38 CCCCCNC(=O)c1ccnnc1 WXVL_AK0076SC0064 [0,1,0,0,0,1|2,0,0]=4 1199 B14R1.38 CCCCCNC(=O)c1ccnnc1 WXVL_AK0076SC0064 [0,1,0,0,0,1|2,0,0]=4 1200 B14R1.38 CCCCCNC(=O)c1cncnc1 WXVL_AK0076SC0097 [0,1,0,0,0,1|2,0,0]=4 1201 B14R1.38 CCCCCNC(=O)c1cncnc1 WXVL_AK0076SC0097 [0,1,0,0,0,1|2,0,0]=4 1202 B14R1.38 CCCCCNC(=O)c1ncccn1 WXVL_AK0076SC0096 [0,1,0,0,0,1|1,0,0]=3 1203 B14R1.38 CCCCCNC(=O)c1ncccn1 WXVL_AK0076SC0096 [0,1,0,0,0,1|1,0,0]=3 1204 B14R1.38 CCSCCNC(=O)c1ccccc1 WXVL_AK00494SD0001 [0,1,0,0,0,1|2,0,0]=4 1205 B14R1.38 CCSCCNC(=O)c1ccccc1 WXVL_AK00494SD0001 [0,1,0,0,0,1|2,0,0]=4 1206 B14R1.38 CCSCCNC(=O)c1ccccn1 WXVL_AK00494SC0058 [0,1,0,0,0,1|2,0,0]=4 1207 B14R1.38 CCSCCNC(=O)c1ccccn1 WXVL_AK00494SC0058 [0,1,0,0,0,1|2,0,0]=4 1208 B14R1.38 CCSCCNC(=O)c1cccnc1 WXVL_AK00494SC0061 [0,1,0,0,0,1|2,0,0]=4 1209 B14R1.38 CCSCCNC(=O)c1cccnc1 WXVL_AK00494SC0061 [0,1,0,0,0,1|2,0,0]=4 1210 B14R1.38 CCSCCNC(=O)c1cccnn1 WXVL_AK00494SC0374 [0,1,0,0,0,1|2,0,0]=4 1211 B14R1.38 CCSCCNC(=O)c1cccnn1 WXVL_AK00494SC0374 [0,1,0,0,0,1|2,0,0]=4 1212 B14R1.38 CCSCCNC(=O)c1ccncc1 WXVL_AK00494SC0062 [0,1,0,0,0,1|2,0,0]=4 1213 B14R1.38 CCSCCNC(=O)c1ccncc1 WXVL_AK00494SC0062 [0,1,0,0,0,1|2,0,0]=4 1214 B14R1.38 CCSCCNC(=O)c1ccncn1 WXVL_AK00494SC0231 [0,1,0,0,0,1|2,0,0]=4 1215 B14R1.38 CCSCCNC(=O)c1ccncn1 WXVL_AK00494SC0231 [0,1,0,0,0,1|2,0,0]=4 1216 B14R1.38 CCSCCNC(=O)c1ncccn1 WXVL_AK00494SC0096 [0,1,0,0,0,1|2,0,0]=4 1217 B14R1.38 CCSCCNC(=O)c1ncccn1 WXVL_AK00494SC0096 [0,1,0,0,0,1|2,0,0]=4 1218 B14R1.38 COCCCNC(=O)c1ccccc1 WXVL_AK00637SD0001 [0,1,0,0,0,1|2,0,0]=4 1219 B14R1.38 COCCCNC(=O)c1ccccc1 WXVL_AK00637SD0001 [0,1,0,0,0,1|2,0,0]=4 1220 B14R1.38 COCCCNC(=O)c1ccccn1 WXVL_AK00637SC0058 [0,1,0,0,0,1|2,0,0]=4 1221 B14R1.38 COCCCNC(=O)c1ccccn1 WXVL_AK00637SC0058 [0,1,0,0,0,1|2,0,0]=4 1222 B14R1.38 COCCCNC(=O)c1cccnc1 WXVL_AK00637SC0061 [0,1,0,0,0,1|2,0,0]=4 1223 B14R1.38 COCCCNC(=O)c1cccnc1 WXVL_AK00637SC0061 [0,1,0,0,0,1|2,0,0]=4 1224 B14R1.38 COCCCNC(=O)c1cccnn1 WXVL_AK00637SC0374 [0,1,0,0,0,1|2,0,0]=4 1225 B14R1.38 COCCCNC(=O)c1cccnn1 WXVL_AK00637SC0374 [0,1,0,0,0,1|2,0,0]=4 1226 B14R1.38 COCCCNC(=O)c1ccncc1 WXVL_AK00637SC0062 [0,1,0,0,0,1|2,0,0]=4 1227 B14R1.38 COCCCNC(=O)c1ccncc1 WXVL_AK00637SC0062 [0,1,0,0,0,1|2,0,0]=4 1228 B14R1.38 COCCCNC(=O)c1ccncn1 WXVL_AK00637SC0231 [0,1,0,0,0,1|2,0,0]=4 1229 B14R1.38 COCCCNC(=O)c1ccncn1 WXVL_AK00637SC0231 [0,1,0,0,0,1|2,0,0]=4 1230 B14R1.38 COCCCNC(=O)c1ncccn1 WXVL_AK00637SC0096 [0,1,0,0,0,1|2,0,0]=4 1231 B14R1.38 COCCCNC(=O)c1ncccn1 WXVL_AK00637SC0096 [0,1,0,0,0,1|2,0,0]=4 1232 B14R1.38 CSCCCNC(=O)c1ccccc1 WXVL_AK0965SD0001 [0,1,0,0,0,1|2,0,0]=4 1233 B14R1.38 CSCCCNC(=O)c1ccccc1 WXVL_AK0965SD0001 [0,1,0,0,0,1|2,0,0]=4 1234 B14R1.38 CSCCCNC(=O)c1ccccn1 WXVL_AK0965SC0058 [0,1,0,0,0,1|2,0,0]=4 1235 B14R1.38 CSCCCNC(=O)c1ccccn1 WXVL_AK0965SC0058 [0,1,0,0,0,1|2,0,0]=4 1236 B14R1.38 CSCCCNC(=O)c1cccnc1 WXVL_AK0965SC0061 [0,1,0,0,0,1|2,0,0]=4 1237 B14R1.38 CSCCCNC(=O)c1cccnc1 WXVL_AK0965SC0061 [0,1,0,0,0,1|2,0,0]=4 1238 B14R1.38 CSCCCNC(=O)c1cccnn1 WXVL_AK0965SC0374 [0,1,0,0,0,1|2,0,0]=4 1239 B14R1.38 CSCCCNC(=O)c1cccnn1 WXVL_AK0965SC0374 [0,1,0,0,0,1|2,0,0]=4 1240 B14R1.38 CSCCCNC(=O)c1ccncc1 WXVL_AK0965SC0062 [0,1,0,0,0,1|2,0,0]=4 1241 B14R1.38 CSCCCNC(=O)c1ccncc1 WXVL_AK0965SC0062 [0,1,0,0,0,1|2,0,0]=4 1242 B14R1.38 CSCCCNC(=O)c1ccncn1 WXVL_AK0965SC0231 [0,1,0,0,0,1|2,0,0]=4 1243 B14R1.38 CSCCCNC(=O)c1ccncn1 WXVL_AK0965SC0231 [0,1,0,0,0,1|2,0,0]=4 1244 B14R1.38 CSCCCNC(=O)c1ncccn1 WXVL_AK0965SC0096 [0,1,0,0,0,1|2,0,0]=4 1245 B14R1.38 CSCCCNC(=O)c1ncccn1 WXVL_AK0965SC0096 [0,1,0,0,0,1|2,0,0]=4 1246 B14R1.38 O=C(NCCCCO)c1ccccc1 WXVL_AK0075SD0001 [0,1,0,0,0,1|2,0,0]=4 1247 B14R1.38 O=C(NCCCCO)c1ccccc1 WXVL_AK0075SD0001 [0,1,0,0,0,1|2,0,0]=4 1248 B14R1.38 O=C(NCCCCO)c1ccccn1 WXVL_AK0075SC0058 [0,1,0,0,0,1|2,0,0]=4 1249 B14R1.38 O=C(NCCCCO)c1ccccn1 WXVL_AK0075SC0058 [0,1,0,0,0,1|2,0,0]=4 1250 B14R1.38 O=C(NCCCCO)c1cccnc1 WXVL_AK0075SC0061 [0,1,0,0,0,1|2,0,0]=4 1251 B14R1.38 O=C(NCCCCO)c1cccnc1 WXVL_AK0075SC0061 [0,1,0,0,0,1|2,0,0]=4 1252 B14R1.38 O=C(NCCCCO)c1cccnn1 WXVL_AK0075SC0374 [0,1,0,0,0,1|2,0,0]=4 1253 B14R1.38 O=C(NCCCCO)c1cccnn1 WXVL_AK0075SC0374 [0,1,0,0,0,1|2,0,0]=4 1254 B14R1.38 O=C(NCCCCO)c1ccncc1 WXVL_AK0075SC0062 [0,1,0,0,0,1|2,0,0]=4 1255 B14R1.38 O=C(NCCCCO)c1ccncc1 WXVL_AK0075SC0062 [0,1,0,0,0,1|2,0,0]=4 1256 B14R1.38 O=C(NCCCCO)c1ccncn1 WXVL_AK0075SC0231 [0,1,0,0,0,1|2,0,0]=4 1257 B14R1.38 O=C(NCCCCO)c1ccncn1 WXVL_AK0075SC0231 [0,1,0,0,0,1|2,0,0]=4 1258 B14R1.38 O=C(NCCCCO)c1ncccn1 WXVL_AK0075SC0096 [0,1,0,0,0,1|2,0,0]=4 1259 B14R1.38 O=C(NCCCCO)c1ncccn1 WXVL_AK0075SC0096 [0,1,0,0,0,1|2,0,0]=4 1260 B14R1.420 CC(C)CCNC(=O)c1ccccc1 WXVL_AK0068SD0001 [0,1,0,0,0,1|2,0,0]=4 1261 B14R1.420 CC(C)CCNC(=O)c1ccccc1 WXVL_AK0068SD0001 [0,1,0,0,0,1|2,0,0]=4 1262 B14R1.420 CC(C)CCNC(=O)c1ccccn1 WXVL_AK0068SC0058 [0,1,0,0,0,1|2,0,0]=4 1263 B14R1.420 CC(C)CCNC(=O)c1ccccn1 WXVL_AK0068SC0058 [0,1,0,0,0,1|2,0,0]=4 1264 B14R1.420 CC(C)CCNC(=O)c1cccnc1 WXVL_AK0068SC0061 [0,1,0,0,0,1|2,0,0]=4 1265 B14R1.420 CC(C)CCNC(=O)c1cccnc1 WXVL_AK0068SC0061 [0,1,0,0,0,1|2,0,0]=4 1266 B14R1.420 CC(C)CCNC(=O)c1cccnn1 WXVL_AK0068SC0374 [0,1,0,0,0,1|2,0,0]=4 1267 B14R1.420 CC(C)CCNC(=O)c1cccnn1 WXVL_AK0068SC0374 [0,1,0,0,0,1|2,0,0]=4 1268 B14R1.420 CC(C)CCNC(=O)c1ccncc1 WXVL_AK0068SC0062 [0,1,0,0,0,1|2,0,0]=4 1269 B14R1.420 CC(C)CCNC(=O)c1ccncc1 WXVL_AK0068SC0062 [0,1,0,0,0,1|2,0,0]=4 1270 B14R1.420 CC(C)CCNC(=O)c1ccncn1 WXVL_AK0068SC0231 [0,1,0,0,0,1|2,0,0]=4 1271 B14R1.420 CC(C)CCNC(=O)c1ccncn1 WXVL_AK0068SC0231 [0,1,0,0,0,1|2,0,0]=4 1272 B14R1.420 CC(C)CCNC(=O)c1ncccn1 WXVL_AK0068SC0096 [0,1,0,0,0,1|2,0,0]=4 1273 B14R1.420 CC(C)CCNC(=O)c1ncccn1 WXVL_AK0068SC0096 [0,1,0,0,0,1|2,0,0]=4 1274 B14R1.1035 CCCCNC(=O)c1ccccc1Br WXVL_AK00588SD0002 [0,1,0,0,0,1|2,0,0]=4 1275 B14R1.1035 CCCCNC(=O)c1ccccc1Br WXVL_AK00588SD0002 [0,1,0,0,0,1|2,0,0]=4 1276 B14R1.1035 CCCCNC(=O)c1ccccc1C WXVL_AK00588SD0037 [0,1,0,0,0,1|2,0,0]=4 1277 B14R1.1035 CCCCNC(=O)c1ccccc1C WXVL_AK00588SD0037 [0,1,0,0,0,1|2,0,0]=4 1278 B14R1.1035 CCCCNC(=O)c1ccccc1Cl WXVL_AK00588SD0006 [0,1,0,0,0,1|2,0,0]=4 1279 B14R1.1035 CCCCNC(=O)c1ccccc1Cl WXVL_AK00588SD0006 [0,1,0,0,0,1|2,0,0]=4 1280 B14R1.1035 CCCCNC(=O)c1ccccc1F WXVL_AK00588SD0003 [0,1,0,0,0,1|2,0,0]=4 1281 B14R1.1035 CCCCNC(=O)c1ccccc1F WXVL_AK00588SD0003 [0,1,0,0,0,1|2,0,0]=4 1282 B14R1.1035 CCCCNC(=O)c1ccccc1I WXVL_AK00588SD0303 [0,1,0,0,0,1|2,0,0]=4 1283 B14R1.1035 CCCCNC(=O)c1ccccc1I WXVL_AK00588SD0303 [0,1,0,0,0,1|2,0,0]=4 1284 B14R1.1035 CCCCNC(=O)c1ccccc1O WXVL_AK00588SD00056 [0,1,0,0,0,1|2,0,0]=4 1285 B14R1.1035 CCCCNC(=O)c1ccccc1O WXVL_AK00588SD00056 [0,1,0,0,0,1|2,0,0]=4 1286 B14R1.1035 CCCCNC(=O)c1ccccc1S WXVL_AK00588SD0153 [0,1,0,0,0,1|2,0,0]=4 1287 B14R1.1035 CCCCNC(=O)c1ccccc1S WXVL_AK00588SD0153 [0,1,0,0,0,1|2,0,0]=4 1288 B14R1.1035 CCCCNC(=O)c1cccnc1Br WXVL_AK00588SC0367 [0,1,0,0,0,1|2,0,0]=4 1289 B14R1.1035 CCCCNC(=O)c1cccnc1Br WXVL_AK00588SC0367 [0,1,0,0,0,1|2,0,0]=4 1290 B14R1.1035 CCCCNC(=O)c1cccnc1C WXVL_AK00588SC0065 [0,1,0,0,0,1|2,0,0]=4 1291 B14R1.1035 CCCCNC(=O)c1cccnc1C WXVL_AK00588SC0065 [0,1,0,0,0,1|2,0,0]=4 1292 B14R1.1035 CCCCNC(=O)c1cccnc1Cl WXVL_AK00588SC0146 [0,1,0,0,0,1|2,0,0]=4 1293 B14R1.1035 CCCCNC(=O)c1cccnc1Cl WXVL_AK00588SC0146 [0,1,0,0,0,1|2,0,0]=4 1294 B14R1.1035 CCCCNC(=O)c1cccnc1F WXVL_AK00588SC0350 [0,1,0,0,0,1|2,0,0]=4 1295 B14R1.1035 CCCCNC(=O)c1cccnc1F WXVL_AK00588SC0350 [0,1,0,0,0,1|2,0,0]=4 1296 B14R1.1035 CCCCNC(=O)c1cccnc1O WXVL_AK00588SC0063 [0,1,0,0,0,1|2,0,0]=4 1297 B14R1.1035 CCCCNC(=O)c1cccnc1O WXVL_AK00588SC0063 [0,1,0,0,0,1|2,0,0]=4 1298 B14R1.1035 CCCCNC(=O)c1ccncc1Br WXVL_AK00588SC0365 [0,1,0,0,0,1|2,0,0]=4 1299 B14R1.1035 CCCCNC(=O)c1ccncc1Br WXVL_AK00588SC0365 [0,1,0,0,0,1|2,0,0]=4 1300 B14R1.1035 CCCCNC(=O)c1ccncc1Cl WXVL_AK00588SC0375 [0,1,0,0,0,1|2,0,0]=4 1301 B14R1.1035 CCCCNC(=O)c1ccncc1Cl WXVL_AK00588SC0375 [0,1,0,0,0,1|2,0,0]=4 1302 B14R1.1035 CCCCNC(=O)c1ccncc1F WXVL_AK00588SC0320 [0,1,0,0,0,1|2,0,0]=4 1303 B14R1.1035 CCCCNC(=O)c1ccncc1F WXVL_AK00588SC0320 [0,1,0,0,0,1|2,0,0]=4 1304 B14R1.1035 CCCCNC(=O)c1ccncc1O WXVL_AK00588SC0354 [0,1,0,0,0,1|2,0,0]=4 1305 B14R1.1035 CCCCNC(=O)c1ccncc1O WXVL_AK00588SC0354 [0,1,0,0,0,1|2,0,0]=4 1306 B14R1.1035 CCCCNC(=O)c1cnccc1Br WXVL_AK00588SC0500 [0,1,0,0,0,1|2,0,0]=4 1307 B14R1.1035 CCCCNC(=O)c1cnccc1Br WXVL_AK00588SC0500 [0,1,0,0,0,1|2,0,0]=4 1308 B14R1.1035 CCCCNC(=O)c1cnccc1C WXVL_AK00588SC0301 [0,1,0,0,0,1|2,0,0]=4 1309 B14R1.1035 CCCCNC(=O)c1cnccc1C WXVL_AK00588SC0301 [0,1,0,0,0,1|2,0,0]=4 1310 B14R1.1035 CCCCNC(=O)c1cnccc1Cl WXVL_AK00588SC0340 [0,1,0,0,0,1|2,0,0]=4 1311 B14R1.1035 CCCCNC(=O)c1cnccc1Cl WXVL_AK00588SC0340 [0,1,0,0,0,1|2,0,0]=4 1312 B14R1.1035 CCCCNC(=O)c1ncccc1Br WXVL_AK00588SC0501 [0,1,0,0,0,1|2,0,0]=4 1313 B14R1.1035 CCCCNC(=O)c1ncccc1Br WXVL_AK00588SC0501 [0,1,0,0,0,1|2,0,0]=4 1314 B14R1.1035 CCCCNC(=O)c1ncccc1C WXVL_AK00588SC0008 [0,1,0,0,0,1|2,0,0]=4 1315 B14R1.1035 CCCCNC(=O)c1ncccc1C WXVL_AK00588SC0008 [0,1,0,0,0,1|2,0,0]=4 1316 B14R1.1035 CCCCNC(=O)c1ncccc1Cl WXVL_AK00588SC0609 [0,1,0,0,0,1|2,0,0]=4 1317 B14R1.1035 CCCCNC(=O)c1ncccc1Cl WXVL_AK00588SC0609 [0,1,0,0,0,1|2,0,0]=4 1318 B14R1.1035 CCCCNC(=O)c1ncccc1F WXVL_AK00588SC0773 [0,1,0,0,0,1|2,0,0]=4 1319 B14R1.1035 CCCCNC(=O)c1ncccc1F WXVL_AK00588SC0773 [0,1,0,0,0,1|2,0,0]=4 1320 B14R1.1035 CCCCNC(=O)c1nccnc1Br WXVL_AK00588SC0785 [0,1,0,0,0,1|2,0,0]=4 1321 B14R1.1035 CCCCNC(=O)c1nccnc1Br WXVL_AK00588SC0785 [0,1,0,0,0,1|2,0,0]=4 1322 B14R1.1035 CCCCNC(=O)c1nccnc1Cl WXVL_AK00588SC0361 [0,1,0,0,0,1|2,0,0]=4 1323 B14R1.1035 CCCCNC(=O)c1nccnc1Cl WXVL_AK00588SC0361 [0,1,0,0,0,1|2,0,0]=4 1324 B14R1.92 CCCCCNC(=O)Cc1cccs1 WXVL_AK0076SA0018 [0,1,0,0,0,1|0,1,0]=3 1325 B14R1.92 CCCCCNC(=O)Cc1cccs1 WXVL_AK0076SA0018 [0,1,0,0,0,1|0,1,0]=3 1326 B14R1.92 CCCCCNC(=O)Cc1ccn[nH]1 WXVL_AK0076SA00008 [0,1,0,0,0,1|2,0,0]=4 1327 B14R1.92 CCCCCNC(=O)Cc1ccn[nH]1 WXVL_AK0076SA00008 [0,1,0,0,0,1|2,0,0]=4 1328 B14R1.92 CCCCCNC(=O)Cc1ccsc1 WXVL_AK0076SA0020 [0,1,0,0,0,1|2,0,0]=4 1329 B14R1.92 CCCCCNC(=O)Cc1ccsc1 WXVL_AK0076SA0020 [0,1,0,0,0,1|2,0,0]=4 1330 B14R1.92 CCCCCNC(=O)Cc1cscn1 WXVL_AK0076SA0012 [0,1,0,0,0,1|2,0,0]=4 1331 B14R1.92 CCCCCNC(=O)Cc1cscn1 WXVL_AK0076SA0012 [0,1,0,0,0,1|2,0,0]=4 1332 B14R1.92 CCCCCNC(=O)Cn1cccn1 WXVL_AK0076SA0030 [0,1,0,0,0,1|2,0,0]=4 1333 B14R1.92 CCCCCNC(=O)Cn1cccn1 WXVL_AK0076SA0030 [0,1,0,0,0,1|2,0,0]=4 1334 B14R1.92 CCSCCNC(=O)Cc1cccs1 WXVL_AK00494SA0018 [0,1,0,0,0,1|1,1,0]=4 1335 B14R1.92 CCSCCNC(=O)Cc1cccs1 WXVL_AK00494SA0018 [0,1,0,0,0,1|1,1,0]=4 1336 B14R1.92 COCCCNC(=O)Cc1cccs1 WXVL_AK00637SA0018 [0,1,0,0,0,1|1,1,0]=4 1337 B14R1.92 COCCCNC(=O)Cc1cccs1 WXVL_AK00637SA0018 [0,1,0,0,0,1|1,1,0]=4 1338 B14R1.92 COCCOCC(=O)Nc1ccno1 WXVL_AF0588SB0159 [0,1,0,0,0,1|2,0,0]=4 1339 B14R1.92 COCCOCC(=O)Nc1ccno1 WXVL_AF0588SB0159 [0,1,0,0,0,1|2,0,0]=4 1340 B14R1.92 COCCOCC(=O)Nc1ncco1 WXVL_AF0235SB0159 [0,1,0,0,0,1|2,0,0]=4 1341 B14R1.92 COCCOCC(=O)Nc1ncco1 WXVL_AF0235SB0159 [0,1,0,0,0,1|2,0,0]=4 1342 B14R1.92 CSCCCNC(=O)Cc1cccs1 WXVL_AK0965SA0018 [0,1,0,0,0,1|1,1,0]=4 1343 B14R1.92 CSCCCNC(=O)Cc1cccs1 WXVL_AK0965SA0018 [0,1,0,0,0,1|1,1,0]=4 1344 B14R1.92 O=C(CCCCCBr)Nc1cc[nH]n1 WXVL_AF2373SB2192 [0,1,0,0,0,1|2,0,0]=4 1345 B14R1.92 O=C(CCCCCBr)Nc1cc[nH]n1 WXVL_AF2373SB2192 [0,1,0,0,0,1|2,0,0]=4 1346 B14R1.92 O=C(CCCCCBr)Nc1ccn[nH]1 WXVL_AF0122SB2192 [0,1,0,0,0,1|2,0,0]=4 1347 B14R1.92 O=C(CCCCCBr)Nc1ccn[nH]1 WXVL_AF0122SB2192 [0,1,0,0,0,1|2,0,0]=4 1348 B14R1.92 O=C(CCCCCBr)Nc1ccno1 WXVL_AF0588SB2192 [0,1,0,0,0,1|1,0,0]=3 1349 B14R1.92 O=C(CCCCCBr)Nc1ccno1 WXVL_AF0588SB2192 [0,1,0,0,0,1|1,0,0]=3 1350 B14R1.92 O=C(CCCCCBr)Nc1ccns1 WXVL_AF00325SB2192 [0,1,0,0,0,1|1,1,0]=4 1351 B14R1.92 O=C(CCCCCBr)Nc1ccns1 WXVL_AF00325SB2192 [0,1,0,0,0,1|1,1,0]=4 1352 B14R1.92 O=C(CCCCCBr)Nc1ccon1 WXVL_AF0028SB2192 [0,1,0,0,0,1|2,0,0]=4 1353 B14R1.92 O=C(CCCCCBr)Nc1ccon1 WXVL_AF0028SB2192 [0,1,0,0,0,1|2,0,0]=4 1354 B14R1.92 O=C(CCCCCBr)Nc1ccsc1 WXVL_AF00105SB2192 [0,1,0,0,0,1|2,0,0]=4 1355 B14R1.92 O=C(CCCCCBr)Nc1ccsc1 WXVL_AF00105SB2192 [0,1,0,0,0,1|2,0,0]=4 1356 B14R1.92 O=C(CCCCCBr)Nc1cnc[nH]1 WXVL_AF00103SB2192 [0,1,0,0,0,1|2,0,0]=4 1357 B14R1.92 O=C(CCCCCBr)Nc1cnc[nH]1 WXVL_AF00103SB2192 [0,1,0,0,0,1|2,0,0]=4 1358 B14R1.92 O=C(CCCCCBr)Nc1cncs1 WXVL_AF0724SB2192 [0,1,0,0,0,1|1,1,0]=4 1359 B14R1.92 O=C(CCCCCBr)Nc1cncs1 WXVL_AF0724SB2192 [0,1,0,0,0,1|1,1,0]=4 1360 B14R1.92 O=C(CCCCCBr)Nc1cscn1 WXVL_AF00216SB2192 [0,1,0,0,0,1|2,0,0]=4 1361 B14R1.92 O=C(CCCCCBr)Nc1cscn1 WXVL_AF00216SB2192 [0,1,0,0,0,1|2,0,0]=4 1362 B14R1.92 O=C(CCCCCBr)Nc1ncc[nH]1 WXVL_AF0297SB2192 [0,1,0,0,0,1|2,0,0]=4 1363 B14R1.92 O=C(CCCCCBr)Nc1ncc[nH]1 WXVL_AF0297SB2192 [0,1,0,0,0,1|2,0,0]=4 1364 B14R1.92 O=C(CCCCCBr)Nc1ncco1 WXVL_AF0235SB2192 [0,1,0,0,0,1|1,0,0]=3 1365 B14R1.92 O=C(CCCCCBr)Nc1ncco1 WXVL_AF0235SB2192 [0,1,0,0,0,1|1,0,0]=3 1366 B14R1.92 O=C(CCCCCBr)Nc1nccs1 WXVL_AF0003SB2192 [0,1,0,0,0,1|1,1,0]=4 1367 B14R1.92 O=C(CCCCCBr)Nc1nccs1 WXVL_AF0003SB2192 [0,1,0,0,0,1|1,1,0]=4 1368 B14R1.92 O=C(CCCCCBr)Nc1nnco1 WXVL_AF0087SB2192 [0,1,0,0,0,1|2,0,0]=4 1369 B14R1.92 O=C(CCCCCBr)Nc1nnco1 WXVL_AF0087SB2192 [0,1,0,0,0,1|2,0,0]=4 1370 B14R1.92 O=C(CCCCCO)Nc1cc[nH]n1 WXVL_AF2373SB2973 [0,1,0,0,0,1|2,0,0]=4 1371 B14R1.92 O=C(CCCCCO)Nc1cc[nH]n1 WXVL_AF2373SB2973 [0,1,0,0,0,1|2,0,0]=4 1372 B14R1.92 O=C(CCCCCO)Nc1ccn[nH]1 WXVL_AF0122SB2973 [0,1,0,0,0,1|2,0,0]=4 1373 B14R1.92 O=C(CCCCCO)Nc1ccn[nH]1 WXVL_AF0122SB2973 [0,1,0,0,0,1|2,0,0]=4 1374 B14R1.92 O=C(CCCCCO)Nc1ccno1 WXVL_AF0588SB2973 [0,1,0,0,0,1|1,0,0]=3 1375 B14R1.92 O=C(CCCCCO)Nc1ccno1 WXVL_AF0588SB2973 [0,1,0,0,0,1|1,0,0]=3 1376 B14R1.92 O=C(CCCCCO)Nc1ccns1 WXVL_AF00325SB2973 [0,1,0,0,0,1|1,1,0]=4 1377 B14R1.92 O=C(CCCCCO)Nc1ccns1 WXVL_AF00325SB2973 [0,1,0,0,0,1|1,1,0]=4 1378 B14R1.92 O=C(CCCCCO)Nc1ccon1 WXVL_AF0028SB2973 [0,1,0,0,0,1|2,0,0]=4 1379 B14R1.92 O=C(CCCCCO)Nc1ccon1 WXVL_AF0028SB2973 [0,1,0,0,0,1|2,0,0]=4 1380 B14R1.92 O=C(CCCCCO)Nc1ccsc1 WXVL_AF00105SB2973 [0,1,0,0,0,1|2,0,0]=4 1381 B14R1.92 O=C(CCCCCO)Nc1ccsc1 WXVL_AF00105SB2973 [0,1,0,0,0,1|2,0,0]=4 1382 B14R1.92 O=C(CCCCCO)Nc1cnc[nH]1 WXVL_AF00103SB2973 [0,1,0,0,0,1|2,0,0]=4 1383 B14R1.92 O=C(CCCCCO)Nc1cnc[nH]1 WXVL_AF00103SB2973 [0,1,0,0,0,1|2,0,0]=4 1384 B14R1.92 O=C(CCCCCO)Nc1cncs1 WXVL_AF0724SB2973 [0,1,0,0,0,1|1,1,0]=4 1385 B14R1.92 O=C(CCCCCO)Nc1cncs1 WXVL_AF0724SB2973 [0,1,0,0,0,1|1,1,0]=4 1386 B14R1.92 O=C(CCCCCO)Nc1cscn1 WXVL_AF00216SB2973 [0,1,0,0,0,1|2,0,0]=4 1387 B14R1.92 O=C(CCCCCO)Nc1cscn1 WXVL_AF00216SB2973 [0,1,0,0,0,1|2,0,0]=4 1388 B14R1.92 O=C(CCCCCO)Nc1ncc[nH]1 WXVL_AF0297SB2973 [0,1,0,0,0,1|2,0,0]=4 1389 B14R1.92 O=C(CCCCCO)Nc1ncc[nH]1 WXVL_AF0297SB2973 [0,1,0,0,0,1|2,0,0]=4 1390 B14R1.92 O=C(CCCCCO)Nc1ncco1 WXVL_AF0235SB2973 [0,1,0,0,0,1|1,0,0]=3 1391 B14R1.92 O=C(CCCCCO)Nc1ncco1 WXVL_AF0235SB2973 [0,1,0,0,0,1|1,0,0]=3 1392 B14R1.92 O=C(CCCCCO)Nc1nccs1 WXVL_AF0003SB2973 [0,1,0,0,0,1|1,1,0]=4 1393 B14R1.92 O=C(CCCCCO)Nc1nccs1 WXVL_AF0003SB2973 [0,1,0,0,0,1|1,1,0]=4 1394 B14R1.92 O=C(CCCCCO)Nc1nnco1 WXVL_AF0087SB2973 [0,1,0,0,0,1|2,0,0]=4 1395 B14R1.92 O=C(CCCCCO)Nc1nnco1 WXVL_AF0087SB2973 [0,1,0,0,0,1|2,0,0]=4 1396 B14R1.92 O=C(Cc1cccs1)NCCCCO WXVL_AK0075SA0018 [0,1,0,0,0,1|1,1,0]=4 1397 B14R1.92 O=C(Cc1cccs1)NCCCCO WXVL_AK0075SA0018 [0,1,0,0,0,1|1,1,0]=4 1398 B14R1.107 CCCCNC(=O)C(=O)c1ccco1 WXVL_AK00588SA0049 [0,1,0,0,0,1|1,0,0]=3 1399 B14R1.107 CCCCNC(=O)C(=O)c1ccco1 WXVL_AK00588SA0049 [0,1,0,0,0,1|1,0,0]=3 1400 B14R1.107 CCCCNC(=O)C(C)c1cccs1 WXVL_AK00588SA1203 [0,1,0,0,0,1|1,1,0]=4 1401 B14R1.107 CCCCNC(=O)C(C)c1cccs1 WXVL_AK00588SA1203 [0,1,0,0,0,1|1,1,0]=4 1402 B14R1.107 CSCCNC(=O)C(=O)c1ccco1 WXVL_AK00440SA0049 [0,1,0,0,0,1|2,0,0]=4 1403 B14R1.107 CSCCNC(=O)C(=O)c1ccco1 WXVL_AK00440SA0049 [0,1,0,0,0,1|2,0,0]=4 1404 B14R1.107 O=C(NCCCO)C(=O)c1ccco1 WXVL_AK0073SA0049 [0,1,0,0,0,1|2,0,0]=4 1405 B14R1.107 O=C(NCCCO)C(=O)c1ccco1 WXVL_AK0073SA0049 [0,1,0,0,0,1|2,0,0]=4 1406 B14R1.157 CCCCNC(=O)Cc1cc(cs1)Br WXVL_AK00588SA0181 [0,1,0,0,0,1|1,1,0]=4 1407 B14R1.157 CCCCNC(=O)Cc1cc(cs1)Br WXVL_AK00588SA0181 [0,1,0,0,0,1|1,1,0]=4 1408 B14R1.157 CCCCNC(=O)Cc1cc(no1)C WXVL_AK00588SA0039 [0,1,0,0,0,1|2,0,0]=4 1409 B14R1.157 CCCCNC(=O)Cc1cc(no1)C WXVL_AK00588SA0039 [0,1,0,0,0,1|2,0,0]=4 1410 B14R1.157 CCCCNC(=O)Cc1ccc(s1)Cl WXVL_AK00588SA0043 [0,1,0,0,0,1|1,1,0]=4 1411 B14R1.157 CCCCNC(=O)Cc1ccc(s1)Cl WXVL_AK00588SA0043 [0,1,0,0,0,1|1,1,0]=4 1412 B14R1.157 Cc1cc(on1)NC(=O)CCCCBr WXVL_AF0001SB3153 [0,1,0,0,0,1|2,0,0]=4 1413 B14R1.157 Cc1cc(on1)NC(=O)CCCCBr WXVL_AF0001SB3153 [0,1,0,0,0,1|2,0,0]=4 1414 B14R1.157 Cc1cc(on1)NC(=O)CCCCCl WXVL_AF0001SB0379 [0,1,0,0,0,1|2,0,0]=4 1415 B14R1.157 Cc1cc(on1)NC(=O)CCCCCl WXVL_AF0001SB0379 [0,1,0,0,0,1|2,0,0]=4 1416 B14R1.157 Cc1coc(n1)NC(=O)CCCCBr WXVL_AF0249SB3153 [0,1,0,0,0,1|2,0,0]=4 1417 B14R1.157 Cc1coc(n1)NC(=O)CCCCBr WXVL_AF0249SB3153 [0,1,0,0,0,1|2,0,0]=4 1418 B14R1.157 Cc1coc(n1)NC(=O)CCCCCl WXVL_AF0249SB0379 [0,1,0,0,0,1|2,0,0]=4 1419 B14R1.157 Cc1coc(n1)NC(=O)CCCCCl WXVL_AF0249SB0379 [0,1,0,0,0,1|2,0,0]=4 1420 B14R1.454 CCCCC(O)C(=O)Nc1cc[nH]n1 WXVL_AF2373SB3429 [0,1,0,0,0,1|2,0,0]=4 1421 B14R1.454 CCCCC(O)C(=O)Nc1cc[nH]n1 WXVL_AF2373SB3429 [0,1,0,0,0,1|2,0,0]=4 1422 B14R1.454 CCCCC(O)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB3429 [0,1,0,0,0,1|2,0,0]=4 1423 B14R1.454 CCCCC(O)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB3429 [0,1,0,0,0,1|2,0,0]=4 1424 B14R1.454 CCCCC(O)C(=O)Nc1ccno1 WXVL_AF0588SB3429 [0,1,0,0,0,1|1,0,0]=3 1425 B14R1.454 CCCCC(O)C(=O)Nc1ccno1 WXVL_AF0588SB3429 [0,1,0,0,0,1|1,0,0]=3 1426 B14R1.454 CCCCC(O)C(=O)Nc1ccns1 WXVL_AF00325SB3429 [0,1,0,0,0,1|1,1,0]=4 1427 B14R1.454 CCCCC(O)C(=O)Nc1ccns1 WXVL_AF00325SB3429 [0,1,0,0,0,1|1,1,0]=4 1428 B14R1.454 CCCCC(O)C(=O)Nc1ccon1 WXVL_AF0028SB3429 [0,1,0,0,0,1|2,0,0]=4 1429 B14R1.454 CCCCC(O)C(=O)Nc1ccon1 WXVL_AF0028SB3429 [0,1,0,0,0,1|2,0,0]=4 1430 B14R1.454 CCCCC(O)C(=O)Nc1ccsc1 WXVL_AF00105SB3429 [0,1,0,0,0,1|2,0,0]=4 1431 B14R1.454 CCCCC(O)C(=O)Nc1ccsc1 WXVL_AF00105SB3429 [0,1,0,0,0,1|2,0,0]=4 1432 B14R1.454 CCCCC(O)C(=O)Nc1cnc[nH]1 WXVL_AF00103SB3429 [0,1,0,0,0,1|2,0,0]=4 1433 B14R1.454 CCCCC(O)C(=O)Nc1cnc[nH]1 WXVL_AF00103SB3429 [0,1,0,0,0,1|2,0,0]=4 1434 B14R1.454 CCCCC(O)C(=O)Nc1cncs1 WXVL_AF0724SB3429 [0,1,0,0,0,1|1,1,0]=4 1435 B14R1.454 CCCCC(O)C(=O)Nc1cncs1 WXVL_AF0724SB3429 [0,1,0,0,0,1|1,1,0]=4 1436 B14R1.454 CCCCC(O)C(=O)Nc1cscn1 WXVL_AF00216SB3429 [0,1,0,0,0,1|2,0,0]=4 1437 B14R1.454 CCCCC(O)C(=O)Nc1cscn1 WXVL_AF00216SB3429 [0,1,0,0,0,1|2,0,0]=4 1438 B14R1.454 CCCCC(O)C(=O)Nc1ncc[nH]1 WXVL_AF0297SB3429 [0,1,0,0,0,1|2,0,0]=4 1439 B14R1.454 CCCCC(O)C(=O)Nc1ncc[nH]1 WXVL_AF0297SB3429 [0,1,0,0,0,1|2,0,0]=4 1440 B14R1.454 CCCCC(O)C(=O)Nc1ncco1 WXVL_AF0235SB3429 [0,1,0,0,0,1|1,0,0]=3 1441 B14R1.454 CCCCC(O)C(=O)Nc1ncco1 WXVL_AF0235SB3429 [0,1,0,0,0,1|1,0,0]=3 1442 B14R1.454 CCCCC(O)C(=O)Nc1nccs1 WXVL_AF0003SB3429 [0,1,0,0,0,1|1,1,0]=4 1443 B14R1.454 CCCCC(O)C(=O)Nc1nccs1 WXVL_AF0003SB3429 [0,1,0,0,0,1|1,1,0]=4 1444 B14R1.454 CCCCC(O)C(=O)Nc1nnco1 WXVL_AF0087SB3429 [0,1,0,0,0,1|2,0,0]=4 1445 B14R1.454 CCCCC(O)C(=O)Nc1nnco1 WXVL_AF0087SB3429 [0,1,0,0,0,1|2,0,0]=4 1446 B14R1.621 CCC[C@H](C)NC(=O)Cc1cccs1 WXVL_AK00682SA0018 [0,1,0,0,0,1|1,1,0]=4 1447 B14R1.621 CCC[C@H](C)NC(=O)Cc1cccs1 WXVL_AK00682SA0018 [0,1,0,0,0,1|1,1,0]=4 1448 B14R1.810 CC(C)CCCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB1301 [0,1,0,0,0,1|2,0,0]=4 1449 B14R1.810 CC(C)CCCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB1301 [0,1,0,0,0,1|2,0,0]=4 1450 B14R1.810 CC(C)CCCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB1301 [0,1,0,0,0,1|2,0,0]=4 1451 B14R1.810 CC(C)CCCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB1301 [0,1,0,0,0,1|2,0,0]=4 1452 B14R1.810 CC(C)CCCC(=O)Nc1ccno1 WXVL_AF0588SB1301 [0,1,0,0,0,1|1,0,0]=3 1453 B14R1.810 CC(C)CCCC(=O)Nc1ccno1 WXVL_AF0588SB1301 [0,1,0,0,0,1|1,0,0]=3 1454 B14R1.810 CC(C)CCCC(=O)Nc1ccns1 WXVL_AF00325SB1301 [0,1,0,0,0,1|1,1,0]=4 1455 B14R1.810 CC(C)CCCC(=O)Nc1ccns1 WXVL_AF00325SB1301 [0,1,0,0,0,1|1,1,0]=4 1456 B14R1.810 CC(C)CCCC(=O)Nc1ccon1 WXVL_AF0028SB1301 [0,1,0,0,0,1|2,0,0]=4 1457 B14R1.810 CC(C)CCCC(=O)Nc1ccon1 WXVL_AF0028SB1301 [0,1,0,0,0,1|2,0,0]=4 1458 B14R1.810 CC(C)CCCC(=O)Nc1ccsc1 WXVL_AF00105SB1301 [0,1,0,0,0,1|2,0,0]=4 1459 B14R1.810 CC(C)CCCC(=O)Nc1ccsc1 WXVL_AF00105SB1301 [0,1,0,0,0,1|2,0,0]=4 1460 B14R1.810 CC(C)CCCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB1301 [0,1,0,0,0,1|2,0,0]=4 1461 B14R1.810 CC(C)CCCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB1301 [0,1,0,0,0,1|2,0,0]=4 1462 B14R1.810 CC(C)CCCC(=O)Nc1cncs1 WXVL_AF0724SB1301 [0,1,0,0,0,1|1,1,0]=4 1463 B14R1.810 CC(C)CCCC(=O)Nc1cncs1 WXVL_AF0724SB1301 [0,1,0,0,0,1|1,1,0]=4 1464 B14R1.810 CC(C)CCCC(=O)Nc1cscn1 WXVL_AF00216SB1301 [0,1,0,0,0,1|2,0,0]=4 1465 B14R1.810 CC(C)CCCC(=O)Nc1cscn1 WXVL_AF00216SB1301 [0,1,0,0,0,1|2,0,0]=4 1466 B14R1.810 CC(C)CCCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB1301 [0,1,0,0,0,1|2,0,0]=4 1467 B14R1.810 CC(C)CCCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB1301 [0,1,0,0,0,1|2,0,0]=4 1468 B14R1.810 CC(C)CCCC(=O)Nc1ncco1 WXVL_AF0235SB1301 [0,1,0,0,0,1|1,0,0]=3 1469 B14R1.810 CC(C)CCCC(=O)Nc1ncco1 WXVL_AF0235SB1301 [0,1,0,0,0,1|1,0,0]=3 1470 B14R1.810 CC(C)CCCC(=O)Nc1nccs1 WXVL_AF0003SB1301 [0,1,0,0,0,1|1,1,0]=4 1471 B14R1.810 CC(C)CCCC(=O)Nc1nccs1 WXVL_AF0003SB1301 [0,1,0,0,0,1|1,1,0]=4 1472 B14R1.810 CC(C)CCCC(=O)Nc1nnco1 WXVL_AF0087SB1301 [0,1,0,0,0,1|2,0,0]=4 1473 B14R1.810 CC(C)CCCC(=O)Nc1nnco1 WXVL_AF0087SB1301 [0,1,0,0,0,1|2,0,0]=4 1474 B14R1.810 CC(C)CCNC(=O)Cc1cccs1 WXVL_AK0068SA0018 [0,1,0,0,0,1|1,1,0]=4 1475 B14R1.810 CC(C)CCNC(=O)Cc1cccs1 WXVL_AK0068SA0018 [0,1,0,0,0,1|1,1,0]=4 1476 B14R1.810 CN(C)CCCC(=O)Nc1ccno1 WXVL_AF0588SB00055 [0,1,0,0,0,1|2,0,0]=4 1477 B14R1.810 CN(C)CCCC(=O)Nc1ccno1 WXVL_AF0588SB00055 [0,1,0,0,0,1|2,0,0]=4 1478 B14R1.810 CN(C)CCCC(=O)Nc1ncco1 WXVL_AF0235SB00055 [0,1,0,0,0,1|2,0,0]=4 1479 B14R1.810 CN(C)CCCC(=O)Nc1ncco1 WXVL_AF0235SB00055 [0,1,0,0,0,1|2,0,0]=4 1480 B14R1.28 CC(CCO)NC(=O)c1ccc(o1)Cl WXVL_AK1288SC0926 [0,2,0,0,0,0|2,0,0]=4 1481 B14R1.28 CC(CCO)NC(=O)c1ccc(o1)Cl WXVL_AK1288SC0926 [0,2,0,0,0,0|2,0,0]=4 1482 B14R1.28 CCC[C@H](C)NC(=O)c1cc(c[nH]1)Br WXVL_AK00682SC0644 [0,2,0,0,0,0|2,0,0]=4 1483 B14R1.28 CCC[C@H](C)NC(=O)c1cc(c[nH]1)Br WXVL_AK00682SC0644 [0,2,0,0,0,0|2,0,0]=4 1484 B14R1.28 CCC[C@H](C)NC(=O)c1cc(c[nH]1)C WXVL_AK00682SC0830 [0,2,0,0,0,0|2,0,0]=4 1485 B14R1.28 CCC[C@H](C)NC(=O)c1cc(c[nH]1)C WXVL_AK00682SC0830 [0,2,0,0,0,0|2,0,0]=4 1486 B14R1.28 CCC[C@H](C)NC(=O)c1cc(c[nH]1)F WXVL_AK00682SC0334 [0,2,0,0,0,0|2,0,0]=4 1487 B14R1.28 CCC[C@H](C)NC(=O)c1cc(c[nH]1)F WXVL_AK00682SC0334 [0,2,0,0,0,0|2,0,0]=4 1488 B14R1.28 CCC[C@H](C)NC(=O)c1cc(cs1)Br WXVL_AK00682SC0188 [0,2,0,0,0,0|1,1,0]=4 1489 B14R1.28 CCC[C@H](C)NC(=O)c1cc(cs1)Br WXVL_AK00682SC0188 [0,2,0,0,0,0|1,1,0]=4 1490 B14R1.28 CCC[C@H](C)NC(=O)c1cc(cs1)C WXVL_AK00682SC0004 [0,2,0,0,0,0|1,1,0]=4 1491 B14R1.28 CCC[C@H](C)NC(=O)c1cc(cs1)C WXVL_AK00682SC0004 [0,2,0,0,0,0|1,1,0]=4 1492 B14R1.28 CCC[C@H](C)NC(=O)c1cc(no1)C WXVL_AK00682SC0089 [0,2,0,0,0,0|2,0,0]=4 1493 B14R1.28 CCC[C@H](C)NC(=O)c1cc(no1)C WXVL_AK00682SC0089 [0,2,0,0,0,0|2,0,0]=4 1494 B14R1.28 CCC[C@H](C)NC(=O)c1cc(no1)O WXVL_AK00682SC0522 [0,2,0,0,0,0|2,0,0]=4 1495 B14R1.28 CCC[C@H](C)NC(=O)c1cc(no1)O WXVL_AK00682SC0522 [0,2,0,0,0,0|2,0,0]=4 1496 B14R1.28 CCC[C@H](C)NC(=O)c1ccc(o1)C WXVL_AK00682SC0005 [0,2,0,0,0,0|1,0,0]=3 1497 B14R1.28 CCC[C@H](C)NC(=O)c1ccc(o1)C WXVL_AK00682SC0005 [0,2,0,0,0,0|1,0,0]=3 1498 B14R1.28 CCC[C@H](C)NC(=O)c1ccc(o1)Cl WXVL_AK00682SC0926 [0,2,0,0,0,0|1,0,0]=3 1499 B14R1.28 CCC[C@H](C)NC(=O)c1ccc(o1)Cl WXVL_AK00682SC0926 [0,2,0,0,0,0|1,0,0]=3 1500 B14R1.28 CCC[C@H](C)NC(=O)c1ccc(s1)Br WXVL_AK00682SC0359 [0,2,0,0,0,0|1,1,0]=4 1501 B14R1.28 CCC[C@H](C)NC(=O)c1ccc(s1)Br WXVL_AK00682SC0359 [0,2,0,0,0,0|1,1,0]=4 1502 B14R1.28 CCC[C@H](C)NC(=O)c1ccc(s1)C WXVL_AK00682SC0053 [0,2,0,0,0,0|1,1,0]=4 1503 B14R1.28 CCC[C@H](C)NC(=O)c1ccc(s1)C WXVL_AK00682SC0053 [0,2,0,0,0,0|1,1,0]=4 1504 B14R1.28 CCC[C@H](C)NC(=O)c1ccc(s1)Cl WXVL_AK00682SC0067 [0,2,0,0,0,0|1,1,0]=4 1505 B14R1.28 CCC[C@H](C)NC(=O)c1ccc(s1)Cl WXVL_AK00682SC0067 [0,2,0,0,0,0|1,1,0]=4 1506 B14R1.28 CCC[C@H](C)NC(=O)c1cnc(o1)Br WXVL_AK00682SC0815 [0,2,0,0,0,0|2,0,0]=4 1507 B14R1.28 CCC[C@H](C)NC(=O)c1cnc(o1)Br WXVL_AK00682SC0815 [0,2,0,0,0,0|2,0,0]=4 1508 B14R1.28 COC[C@@H](C)NC(=O)c1ccc(o1)C WXVL_AK00613SC0005 [0,2,0,0,0,0|2,0,0]=4 1509 B14R1.28 COC[C@@H](C)NC(=O)c1ccc(o1)C WXVL_AK00613SC0005 [0,2,0,0,0,0|2,0,0]=4 1510 B14R1.28 COC[C@@H](C)NC(=O)c1ccc(o1)Cl WXVL_AK00613SC0926 [0,2,0,0,0,0|2,0,0]=4 1511 B14R1.28 COC[C@@H](C)NC(=O)c1ccc(o1)Cl WXVL_AK00613SC0926 [0,2,0,0,0,0|2,0,0]=4 1512 B14R1.28 COC[C@H](C)NC(=O)c1ccc(o1)C WXVL_AK0137SC0005 [0,2,0,0,0,0|2,0,0]=4 1513 B14R1.28 COC[C@H](C)NC(=O)c1ccc(o1)C WXVL_AK0137SC0005 [0,2,0,0,0,0|2,0,0]=4 1514 B14R1.28 COC[C@H](C)NC(=O)c1ccc(o1)Cl WXVL_AK0137SC0926 [0,2,0,0,0,0|2,0,0]=4 1515 B14R1.28 COC[C@H](C)NC(=O)c1ccc(o1)Cl WXVL_AK0137SC0926 [0,2,0,0,0,0|2,0,0]=4 1516 B14R1.28 Cc1ccc(o1)C(=O)NC(C)CCO WXVL_AK1288SC0005 [0,2,0,0,0,0|2,0,0]=4 1517 B14R1.28 Cc1ccc(o1)C(=O)NC(C)CCO WXVL_AK1288SC0005 [0,2,0,0,0,0|2,0,0]=4 1518 B14R1.37 C#CCCCNC(=O)c1ccc(o1)C WXVL_AK00218SC0005 [0,2,0,0,0,0|0,0,2]=4 1519 B14R1.37 C#CCCCNC(=O)c1ccc(o1)C WXVL_AK00218SC0005 [0,2,0,0,0,0|0,0,2]=4 1520 B14R1.37 C#CCCCNC(=O)c1ccc(o1)Cl WXVL_AK00218SC0926 [0,2,0,0,0,0|0,0,2]=4 1521 B14R1.37 C#CCCCNC(=O)c1ccc(o1)Cl WXVL_AK00218SC0926 [0,2,0,0,0,0|0,0,2]=4 1522 B14R1.37 CCCCCNC(=O)c1c[nH]c(c1)C WXVL_AK0076SC0298 [0,2,0,0,0,0|2,0,0]=4 1523 B14R1.37 CCCCCNC(=O)c1c[nH]c(c1)C WXVL_AK0076SC0298 [0,2,0,0,0,0|2,0,0]=4 1524 B14R1.37 CCCCCNC(=O)c1c[nH]c(n1)C WXVL_AK0076SC0009 [0,2,0,0,0,0|2,0,0]=4 1525 B14R1.37 CCCCCNC(=O)c1c[nH]c(n1)C WXVL_AK0076SC0009 [0,2,0,0,0,0|2,0,0]=4 1526 B14R1.37 CCCCCNC(=O)c1cc([nH]n1)C WXVL_AK0076SC0267 [0,2,0,0,0,0|2,0,0]=4 1527 B14R1.37 CCCCCNC(=O)c1cc([nH]n1)C WXVL_AK0076SC0267 [0,2,0,0,0,0|2,0,0]=4 1528 B14R1.37 CCCCCNC(=O)c1cc(c[nH]1)Br WXVL_AK0076SC0644 [0,2,0,0,0,0|1,0,0]=3 1529 B14R1.37 CCCCCNC(=O)c1cc(c[nH]1)Br WXVL_AK0076SC0644 [0,2,0,0,0,0|1,0,0]=3 1530 B14R1.37 CCCCCNC(=O)c1cc(c[nH]1)C WXVL_AK0076SC0830 [0,2,0,0,0,0|1,0,0]=3 1531 B14R1.37 CCCCCNC(=O)c1cc(c[nH]1)C WXVL_AK0076SC0830 [0,2,0,0,0,0|1,0,0]=3 1532 B14R1.37 CCCCCNC(=O)c1cc(c[nH]1)F WXVL_AK0076SC0334 [0,2,0,0,0,0|1,0,0]=3 1533 B14R1.37 CCCCCNC(=O)c1cc(c[nH]1)F WXVL_AK0076SC0334 [0,2,0,0,0,0|1,0,0]=3 1534 B14R1.37 CCCCCNC(=O)c1cc(cs1)Br WXVL_AK0076SC0188 [0,2,0,0,0,0|0,1,0]=3 1535 B14R1.37 CCCCCNC(=O)c1cc(cs1)Br WXVL_AK0076SC0188 [0,2,0,0,0,0|0,1,0]=3 1536 B14R1.37 CCCCCNC(=O)c1cc(cs1)C WXVL_AK0076SC0004 [0,2,0,0,0,0|0,1,0]=3 1537 B14R1.37 CCCCCNC(=O)c1cc(cs1)C WXVL_AK0076SC0004 [0,2,0,0,0,0|0,1,0]=3 1538 B14R1.37 CCCCCNC(=O)c1cc(n[nH]1)C WXVL_AK0076SC2215 [0,2,0,0,0,0|2,0,0]=4 1539 B14R1.37 CCCCCNC(=O)c1cc(n[nH]1)C WXVL_AK0076SC2215 [0,2,0,0,0,0|2,0,0]=4 1540 B14R1.37 CCCCCNC(=O)c1cc(no1)C WXVL_AK0076SC0089 [0,2,0,0,0,0|1,0,0]=3 1541 B14R1.37 CCCCCNC(=O)c1cc(no1)C WXVL_AK0076SC0089 [0,2,0,0,0,0|1,0,0]=3 1542 B14R1.37 CCCCCNC(=O)c1cc(no1)O WXVL_AK0076SC0522 [0,2,0,0,0,0|1,0,0]=3 1543 B14R1.37 CCCCCNC(=O)c1cc(no1)O WXVL_AK0076SC0522 [0,2,0,0,0,0|1,0,0]=3 1544 B14R1.37 CCCCCNC(=O)c1cc(on1)C WXVL_AK0076SC0101 [0,2,0,0,0,0|2,0,0]=4 1545 B14R1.37 CCCCCNC(=O)c1cc(on1)C WXVL_AK0076SC0101 [0,2,0,0,0,0|2,0,0]=4 1546 B14R1.37 CCCCCNC(=O)c1ccc(o1)C WXVL_AK0076SC0005 [0,2,0,0,0,0|0,0,0]=2 1547 B14R1.37 CCCCCNC(=O)c1ccc(o1)C WXVL_AK0076SC0005 [0,2,0,0,0,0|0,0,0]=2 1548 B14R1.37 CCCCCNC(=O)c1ccc(o1)Cl WXVL_AK0076SC0926 [0,2,0,0,0,0|0,0,0]=2 1549 B14R1.37 CCCCCNC(=O)c1ccc(o1)Cl WXVL_AK0076SC0926 [0,2,0,0,0,0|0,0,0]=2 1550 B14R1.37 CCCCCNC(=O)c1ccc(s1)Br WXVL_AK0076SC0359 [0,2,0,0,0,0|0,1,0]=3 1551 B14R1.37 CCCCCNC(=O)c1ccc(s1)Br WXVL_AK0076SC0359 [0,2,0,0,0,0|0,1,0]=3 1552 B14R1.37 CCCCCNC(=O)c1ccc(s1)C WXVL_AK0076SC0053 [0,2,0,0,0,0|0,1,0]=3 1553 B14R1.37 CCCCCNC(=O)c1ccc(s1)C WXVL_AK0076SC0053 [0,2,0,0,0,0|0,1,0]=3 1554 B14R1.37 CCCCCNC(=O)c1ccc(s1)Cl WXVL_AK0076SC0067 [0,2,0,0,0,0|0,1,0]=3 1555 B14R1.37 CCCCCNC(=O)c1ccc(s1)Cl WXVL_AK0076SC0067 [0,2,0,0,0,0|0,1,0]=3 1556 B14R1.37 CCCCCNC(=O)c1ccn(c1)C WXVL_AK0076SC0038 [0,2,0,0,0,0|2,0,0]=4 1557 B14R1.37 CCCCCNC(=O)c1ccn(c1)C WXVL_AK0076SC0038 [0,2,0,0,0,0|2,0,0]=4 1558 B14R1.37 CCCCCNC(=O)c1ccn(n1)C WXVL_AK0076SC0091 [0,2,0,0,0,0|2,0,0]=4 1559 B14R1.37 CCCCCNC(=O)c1ccn(n1)C WXVL_AK0076SC0091 [0,2,0,0,0,0|2,0,0]=4 1560 B14R1.37 CCCCCNC(=O)c1cn(cn1)C WXVL_AK0076SC0111 [0,2,0,0,0,0|2,0,0]=4 1561 B14R1.37 CCCCCNC(=O)c1cn(cn1)C WXVL_AK0076SC0111 [0,2,0,0,0,0|2,0,0]=4 1562 B14R1.37 CCCCCNC(=O)c1cnc([nH]1)O WXVL_AK0076SC0498 [0,2,0,0,0,0|2,0,0]=4 1563 B14R1.37 CCCCCNC(=O)c1cnc([nH]1)O WXVL_AK0076SC0498 [0,2,0,0,0,0|2,0,0]=4 1564 B14R1.37 CCCCCNC(=O)c1cnc(o1)Br WXVL_AK0076SC0815 [0,2,0,0,0,0|1,0,0]=3 1565 B14R1.37 CCCCCNC(=O)c1cnc(o1)Br WXVL_AK0076SC0815 [0,2,0,0,0,0|1,0,0]=3 1566 B14R1.37 CCCCCNC(=O)c1cnc(s1)Br WXVL_AK0076SC0723 [0,2,0,0,0,0|1,1,0]=4 1567 B14R1.37 CCCCCNC(=O)c1cnc(s1)Br WXVL_AK0076SC0723 [0,2,0,0,0,0|1,1,0]=4 1568 B14R1.37 CCCCCNC(=O)c1cnc(s1)C WXVL_AK0076SC0326 [0,2,0,0,0,0|1,1,0]=4 1569 B14R1.37 CCCCCNC(=O)c1cnc(s1)C WXVL_AK0076SC0326 [0,2,0,0,0,0|1,1,0]=4 1570 B14R1.37 CCCCCNC(=O)c1cnc(s1)Cl WXVL_AK0076SC0638 [0,2,0,0,0,0|1,1,0]=4 1571 B14R1.37 CCCCCNC(=O)c1cnc(s1)Cl WXVL_AK0076SC0638 [0,2,0,0,0,0|1,1,0]=4 1572 B14R1.37 CCCCCNC(=O)c1coc(n1)C WXVL_AK0076SC0086 [0,2,0,0,0,0|2,0,0]=4 1573 B14R1.37 CCCCCNC(=O)c1coc(n1)C WXVL_AK0076SC0086 [0,2,0,0,0,0|2,0,0]=4 1574 B14R1.37 CCCCCNC(=O)c1coc(n1)Cl WXVL_AK0076SC1341 [0,2,0,0,0,0|2,0,0]=4 1575 B14R1.37 CCCCCNC(=O)c1coc(n1)Cl WXVL_AK0076SC1341 [0,2,0,0,0,0|2,0,0]=4 1576 B14R1.37 CCCCCNC(=O)c1csc(c1)Br WXVL_AK0076SC0189 [0,2,0,0,0,0|2,0,0]=4 1577 B14R1.37 CCCCCNC(=O)c1csc(c1)Br WXVL_AK0076SC0189 [0,2,0,0,0,0|2,0,0]=4 1578 B14R1.37 CCCCCNC(=O)c1csc(n1)C WXVL_AK0076SC0112 [0,2,0,0,0,0|2,0,0]=4 1579 B14R1.37 CCCCCNC(=O)c1csc(n1)C WXVL_AK0076SC0112 [0,2,0,0,0,0|2,0,0]=4 1580 B14R1.37 CCCCCNC(=O)c1csc(n1)Cl WXVL_AK0076SC0688 [0,2,0,0,0,0|2,0,0]=4 1581 B14R1.37 CCCCCNC(=O)c1csc(n1)Cl WXVL_AK0076SC0688 [0,2,0,0,0,0|2,0,0]=4 1582 B14R1.37 CCCCCNC(=O)c1nc(cs1)Br WXVL_AK0076SC0687 [0,2,0,0,0,0|1,1,0]=4 1583 B14R1.37 CCCCCNC(=O)c1nc(cs1)Br WXVL_AK0076SC0687 [0,2,0,0,0,0|1,1,0]=4 1584 B14R1.37 CCCCCNC(=O)c1nc(cs1)C WXVL_AK0076SC0538 [0,2,0,0,0,0|1,1,0]=4 1585 B14R1.37 CCCCCNC(=O)c1nc(cs1)C WXVL_AK0076SC0538 [0,2,0,0,0,0|1,1,0]=4 1586 B14R1.37 CCCCCNC(=O)c1ncc(s1)C WXVL_AK0076SC0031 [0,2,0,0,0,0|1,1,0]=4 1587 B14R1.37 CCCCCNC(=O)c1ncc(s1)C WXVL_AK0076SC0031 [0,2,0,0,0,0|1,1,0]=4 1588 B14R1.37 CCSCCNC(=O)c1cc(c[nH]1)Br WXVL_AK00494SC0644 [0,2,0,0,0,0|2,0,0]=4 1589 B14R1.37 CCSCCNC(=O)c1cc(c[nH]1)Br WXVL_AK00494SC0644 [0,2,0,0,0,0|2,0,0]=4 1590 B14R1.37 CCSCCNC(=O)c1cc(c[nH]1)C WXVL_AK00494SC0830 [0,2,0,0,0,0|2,0,0]=4 1591 B14R1.37 CCSCCNC(=O)c1cc(c[nH]1)C WXVL_AK00494SC0830 [0,2,0,0,0,0|2,0,0]=4 1592 B14R1.37 CCSCCNC(=O)c1cc(c[nH]1)F WXVL_AK00494SC0334 [0,2,0,0,0,0|2,0,0]=4 1593 B14R1.37 CCSCCNC(=O)c1cc(c[nH]1)F WXVL_AK00494SC0334 [0,2,0,0,0,0|2,0,0]=4 1594 B14R1.37 CCSCCNC(=O)c1cc(cs1)Br WXVL_AK00494SC0188 [0,2,0,0,0,0|1,1,0]=4 1595 B14R1.37 CCSCCNC(=O)c1cc(cs1)Br WXVL_AK00494SC0188 [0,2,0,0,0,0|1,1,0]=4 1596 B14R1.37 CCSCCNC(=O)c1cc(cs1)C WXVL_AK00494SC0004 [0,2,0,0,0,0|1,1,0]=4 1597 B14R1.37 CCSCCNC(=O)c1cc(cs1)C WXVL_AK00494SC0004 [0,2,0,0,0,0|1,1,0]=4 1598 B14R1.37 CCSCCNC(=O)c1cc(no1)C WXVL_AK00494SC0089 [0,2,0,0,0,0|2,0,0]=4 1599 B14R1.37 CCSCCNC(=O)c1cc(no1)C WXVL_AK00494SC0089 [0,2,0,0,0,0|2,0,0]=4 1600 B14R1.37 CCSCCNC(=O)c1cc(no1)O WXVL_AK00494SC0522 [0,2,0,0,0,0|2,0,0]=4 1601 B14R1.37 CCSCCNC(=O)c1cc(no1)O WXVL_AK00494SC0522 [0,2,0,0,0,0|2,0,0]=4 1602 B14R1.37 CCSCCNC(=O)c1ccc(o1)C WXVL_AK00494SC0005 [0,2,0,0,0,0|1,0,0]=3 1603 B14R1.37 CCSCCNC(=O)c1ccc(o1)C WXVL_AK00494SC0005 [0,2,0,0,0,0|1,0,0]=3 1604 B14R1.37 CCSCCNC(=O)c1ccc(o1)Cl WXVL_AK00494SC0926 [0,2,0,0,0,0|1,0,0]=3 1605 B14R1.37 CCSCCNC(=O)c1ccc(o1)Cl WXVL_AK00494SC0926 [0,2,0,0,0,0|1,0,0]=3 1606 B14R1.37 CCSCCNC(=O)c1ccc(s1)Br WXVL_AK00494SC0359 [0,2,0,0,0,0|1,1,0]=4 1607 B14R1.37 CCSCCNC(=O)c1ccc(s1)Br WXVL_AK00494SC0359 [0,2,0,0,0,0|1,1,0]=4 1608 B14R1.37 CCSCCNC(=O)c1ccc(s1)C WXVL_AK00494SC0053 [0,2,0,0,0,0|1,1,0]=4 1609 B14R1.37 CCSCCNC(=O)c1ccc(s1)C WXVL_AK00494SC0053 [0,2,0,0,0,0|1,1,0]=4 1610 B14R1.37 CCSCCNC(=O)c1ccc(s1)Cl WXVL_AK00494SC0067 [0,2,0,0,0,0|1,1,0]=4 1611 B14R1.37 CCSCCNC(=O)c1ccc(s1)Cl WXVL_AK00494SC0067 [0,2,0,0,0,0|1,1,0]=4 1612 B14R1.37 CCSCCNC(=O)c1cnc(o1)Br WXVL_AK00494SC0815 [0,2,0,0,0,0|2,0,0]=4 1613 B14R1.37 CCSCCNC(=O)c1cnc(o1)Br WXVL_AK00494SC0815 [0,2,0,0,0,0|2,0,0]=4 1614 B14R1.37 COCCCNC(=O)c1cc(c[nH]1)Br WXVL_AK00637SC0644 [0,2,0,0,0,0|2,0,0]=4 1615 B14R1.37 COCCCNC(=O)c1cc(c[nH]1)Br WXVL_AK00637SC0644 [0,2,0,0,0,0|2,0,0]=4 1616 B14R1.37 COCCCNC(=O)c1cc(c[nH]1)C WXVL_AK00637SC0830 [0,2,0,0,0,0|2,0,0]=4 1617 B14R1.37 COCCCNC(=O)c1cc(c[nH]1)C WXVL_AK00637SC0830 [0,2,0,0,0,0|2,0,0]=4 1618 B14R1.37 COCCCNC(=O)c1cc(c[nH]1)F WXVL_AK00637SC0334 [0,2,0,0,0,0|2,0,0]=4 1619 B14R1.37 COCCCNC(=O)c1cc(c[nH]1)F WXVL_AK00637SC0334 [0,2,0,0,0,0|2,0,0]=4 1620 B14R1.37 COCCCNC(=O)c1cc(cs1)Br WXVL_AK00637SC0188 [0,2,0,0,0,0|1,1,0]=4 1621 B14R1.37 COCCCNC(=O)c1cc(cs1)Br WXVL_AK00637SC0188 [0,2,0,0,0,0|1,1,0]=4 1622 B14R1.37 COCCCNC(=O)c1cc(cs1)C WXVL_AK00637SC0004 [0,2,0,0,0,0|1,1,0]=4 1623 B14R1.37 COCCCNC(=O)c1cc(cs1)C WXVL_AK00637SC0004 [0,2,0,0,0,0|1,1,0]=4 1624 B14R1.37 COCCCNC(=O)c1cc(no1)C WXVL_AK00637SC0089 [0,2,0,0,0,0|2,0,0]=4 1625 B14R1.37 COCCCNC(=O)c1cc(no1)C WXVL_AK00637SC0089 [0,2,0,0,0,0|2,0,0]=4 1626 B14R1.37 COCCCNC(=O)c1cc(no1)O WXVL_AK00637SC0522 [0,2,0,0,0,0|2,0,0]=4 1627 B14R1.37 COCCCNC(=O)c1cc(no1)O WXVL_AK00637SC0522 [0,2,0,0,0,0|2,0,0]=4 1628 B14R1.37 COCCCNC(=O)c1ccc(o1)C WXVL_AK00637SC0005 [0,2,0,0,0,0|1,0,0]=3 1629 B14R1.37 COCCCNC(=O)c1ccc(o1)C WXVL_AK00637SC0005 [0,2,0,0,0,0|1,0,0]=3 1630 B14R1.37 COCCCNC(=O)c1ccc(o1)Cl WXVL_AK00637SC0926 [0,2,0,0,0,0|1,0,0]=3 1631 B14R1.37 COCCCNC(=O)c1ccc(o1)Cl WXVL_AK00637SC0926 [0,2,0,0,0,0|1,0,0]=3 1632 B14R1.37 COCCCNC(=O)c1ccc(s1)Br WXVL_AK00637SC0359 [0,2,0,0,0,0|1,1,0]=4 1633 B14R1.37 COCCCNC(=O)c1ccc(s1)Br WXVL_AK00637SC0359 [0,2,0,0,0,0|1,1,0]=4 1634 B14R1.37 COCCCNC(=O)c1ccc(s1)C WXVL_AK00637SC0053 [0,2,0,0,0,0|1,1,0]=4 1635 B14R1.37 COCCCNC(=O)c1ccc(s1)C WXVL_AK00637SC0053 [0,2,0,0,0,0|1,1,0]=4 1636 B14R1.37 COCCCNC(=O)c1ccc(s1)Cl WXVL_AK00637SC0067 [0,2,0,0,0,0|1,1,0]=4 1637 B14R1.37 COCCCNC(=O)c1ccc(s1)Cl WXVL_AK00637SC0067 [0,2,0,0,0,0|1,1,0]=4 1638 B14R1.37 COCCCNC(=O)c1cnc(o1)Br WXVL_AK00637SC0815 [0,2,0,0,0,0|2,0,0]=4 1639 B14R1.37 COCCCNC(=O)c1cnc(o1)Br WXVL_AK00637SC0815 [0,2,0,0,0,0|2,0,0]=4 1640 B14R1.37 CSCCCNC(=O)c1cc(c[nH]1)Br WXVL_AK0965SC0644 [0,2,0,0,0,0|2,0,0]=4 1641 B14R1.37 CSCCCNC(=O)c1cc(c[nH]1)Br WXVL_AK0965SC0644 [0,2,0,0,0,0|2,0,0]=4 1642 B14R1.37 CSCCCNC(=O)c1cc(c[nH]1)C WXVL_AK0965SC0830 [0,2,0,0,0,0|2,0,0]=4 1643 B14R1.37 CSCCCNC(=O)c1cc(c[nH]1)C WXVL_AK0965SC0830 [0,2,0,0,0,0|2,0,0]=4 1644 B14R1.37 CSCCCNC(=O)c1cc(c[nH]1)F WXVL_AK0965SC0334 [0,2,0,0,0,0|2,0,0]=4 1645 B14R1.37 CSCCCNC(=O)c1cc(c[nH]1)F WXVL_AK0965SC0334 [0,2,0,0,0,0|2,0,0]=4 1646 B14R1.37 CSCCCNC(=O)c1cc(cs1)Br WXVL_AK0965SC0188 [0,2,0,0,0,0|1,1,0]=4 1647 B14R1.37 CSCCCNC(=O)c1cc(cs1)Br WXVL_AK0965SC0188 [0,2,0,0,0,0|1,1,0]=4 1648 B14R1.37 CSCCCNC(=O)c1cc(cs1)C WXVL_AK0965SC0004 [0,2,0,0,0,0|1,1,0]=4 1649 B14R1.37 CSCCCNC(=O)c1cc(cs1)C WXVL_AK0965SC0004 [0,2,0,0,0,0|1,1,0]=4 1650 B14R1.37 CSCCCNC(=O)c1cc(no1)C WXVL_AK0965SC0089 [0,2,0,0,0,0|2,0,0]=4 1651 B14R1.37 CSCCCNC(=O)c1cc(no1)C WXVL_AK0965SC0089 [0,2,0,0,0,0|2,0,0]=4 1652 B14R1.37 CSCCCNC(=O)c1cc(no1)O WXVL_AK0965SC0522 [0,2,0,0,0,0|2,0,0]=4 1653 B14R1.37 CSCCCNC(=O)c1cc(no1)O WXVL_AK0965SC0522 [0,2,0,0,0,0|2,0,0]=4 1654 B14R1.37 CSCCCNC(=O)c1ccc(o1)C WXVL_AK0965SC0005 [0,2,0,0,0,0|1,0,0]=3 1655 B14R1.37 CSCCCNC(=O)c1ccc(o1)C WXVL_AK0965SC0005 [0,2,0,0,0,0|1,0,0]=3 1656 B14R1.37 CSCCCNC(=O)c1ccc(o1)Cl WXVL_AK0965SC0926 [0,2,0,0,0,0|1,0,0]=3 1657 B14R1.37 CSCCCNC(=O)c1ccc(o1)Cl WXVL_AK0965SC0926 [0,2,0,0,0,0|1,0,0]=3 1658 B14R1.37 CSCCCNC(=O)c1ccc(s1)Br WXVL_AK0965SC0359 [0,2,0,0,0,0|1,1,0]=4 1659 B14R1.37 CSCCCNC(=O)c1ccc(s1)Br WXVL_AK0965SC0359 [0,2,0,0,0,0|1,1,0]=4 1660 B14R1.37 CSCCCNC(=O)c1ccc(s1)C WXVL_AK0965SC0053 [0,2,0,0,0,0|1,1,0]=4 1661 B14R1.37 CSCCCNC(=O)c1ccc(s1)C WXVL_AK0965SC0053 [0,2,0,0,0,0|1,1,0]=4 1662 B14R1.37 CSCCCNC(=O)c1ccc(s1)Cl WXVL_AK0965SC0067 [0,2,0,0,0,0|1,1,0]=4 1663 B14R1.37 CSCCCNC(=O)c1ccc(s1)Cl WXVL_AK0965SC0067 [0,2,0,0,0,0|1,1,0]=4 1664 B14R1.37 CSCCCNC(=O)c1cnc(o1)Br WXVL_AK0965SC0815 [0,2,0,0,0,0|2,0,0]=4 1665 B14R1.37 CSCCCNC(=O)c1cnc(o1)Br WXVL_AK0965SC0815 [0,2,0,0,0,0|2,0,0]=4 1666 B14R1.37 Cc1c[nH]c(c1)C(=O)NCCCCO WXVL_AK0075SC0830 [0,2,0,0,0,0|2,0,0]=4 1667 B14R1.37 Cc1c[nH]c(c1)C(=O)NCCCCO WXVL_AK0075SC0830 [0,2,0,0,0,0|2,0,0]=4 1668 B14R1.37 Cc1cc(on1)C(=O)NCCCCO WXVL_AK0075SC0089 [0,2,0,0,0,0|2,0,0]=4 1669 B14R1.37 Cc1cc(on1)C(=O)NCCCCO WXVL_AK0075SC0089 [0,2,0,0,0,0|2,0,0]=4 1670 B14R1.37 Cc1ccc(o1)C(=O)NCCCCO WXVL_AK0075SC0005 [0,2,0,0,0,0|1,0,0]=3 1671 B14R1.37 Cc1ccc(o1)C(=O)NCCCCO WXVL_AK0075SC0005 [0,2,0,0,0,0|1,0,0]=3 1672 B14R1.37 Cc1ccc(s1)C(=O)NCCCCO WXVL_AK0075SC0053 [0,2,0,0,0,0|1,1,0]=4 1673 B14R1.37 Cc1ccc(s1)C(=O)NCCCCO WXVL_AK0075SC0053 [0,2,0,0,0,0|1,1,0]=4 1674 B14R1.37 Cc1csc(c1)C(=O)NCCCCO WXVL_AK0075SC0004 [0,2,0,0,0,0|1,1,0]=4 1675 B14R1.37 Cc1csc(c1)C(=O)NCCCCO WXVL_AK0075SC0004 [0,2,0,0,0,0|1,1,0]=4 1676 B14R1.37 O=C(NCCCCO)c1cc(c[nH]1)Br WXVL_AK0075SC0644 [0,2,0,0,0,0|2,0,0]=4 1677 B14R1.37 O=C(NCCCCO)c1cc(c[nH]1)Br WXVL_AK0075SC0644 [0,2,0,0,0,0|2,0,0]=4 1678 B14R1.37 O=C(NCCCCO)c1cc(c[nH]1)F WXVL_AK0075SC0334 [0,2,0,0,0,0|2,0,0]=4 1679 B14R1.37 O=C(NCCCCO)c1cc(c[nH]1)F WXVL_AK0075SC0334 [0,2,0,0,0,0|2,0,0]=4 1680 B14R1.37 O=C(NCCCCO)c1cc(cs1)Br WXVL_AK0075SC0188 [0,2,0,0,0,0|1,1,0]=4 1681 B14R1.37 O=C(NCCCCO)c1cc(cs1)Br WXVL_AK0075SC0188 [0,2,0,0,0,0|1,1,0]=4 1682 B14R1.37 O=C(NCCCCO)c1cc(no1)O WXVL_AK0075SC0522 [0,2,0,0,0,0|2,0,0]=4 1683 B14R1.37 O=C(NCCCCO)c1cc(no1)O WXVL_AK0075SC0522 [0,2,0,0,0,0|2,0,0]=4 1684 B14R1.37 O=C(NCCCCO)c1ccc(o1)Cl WXVL_AK0075SC0926 [0,2,0,0,0,0|1,0,0]=3 1685 B14R1.37 O=C(NCCCCO)c1ccc(o1)Cl WXVL_AK0075SC0926 [0,2,0,0,0,0|1,0,0]=3 1686 B14R1.37 O=C(NCCCCO)c1ccc(s1)Br WXVL_AK0075SC0359 [0,2,0,0,0,0|1,1,0]=4 1687 B14R1.37 O=C(NCCCCO)c1ccc(s1)Br WXVL_AK0075SC0359 [0,2,0,0,0,0|1,1,0]=4 1688 B14R1.37 O=C(NCCCCO)c1ccc(s1)Cl WXVL_AK0075SC0067 [0,2,0,0,0,0|1,1,0]=4 1689 B14R1.37 O=C(NCCCCO)c1ccc(s1)Cl WXVL_AK0075SC0067 [0,2,0,0,0,0|1,1,0]=4 1690 B14R1.37 O=C(NCCCCO)c1cnc(o1)Br WXVL_AK0075SC0815 [0,2,0,0,0,0|2,0,0]=4 1691 B14R1.37 O=C(NCCCCO)c1cnc(o1)Br WXVL_AK0075SC0815 [0,2,0,0,0,0|2,0,0]=4 1692 B14R1.162 CO[C@H](C)CNC(=O)c1ccc(o1)C WXVL_AK00704SC0005 [0,2,0,0,0,0|2,0,0]=4 1693 B14R1.162 CO[C@H](C)CNC(=O)c1ccc(o1)C WXVL_AK00704SC0005 [0,2,0,0,0,0|2,0,0]=4 1694 B14R1.162 CO[C@H](C)CNC(=O)c1ccc(o1)Cl WXVL_AK00704SC0926 [0,2,0,0,0,0|2,0,0]=4 1695 B14R1.162 CO[C@H](C)CNC(=O)c1ccc(o1)Cl WXVL_AK00704SC0926 [0,2,0,0,0,0|2,0,0]=4 1696 B14R1.162 Cc1ccc(o1)C(=O)NC[C@@H](F)CO WXVL_AK00590SC0005 [0,2,0,0,0,0|2,0,0]=4 1697 B14R1.162 Cc1ccc(o1)C(=O)NC[C@@H](F)CO WXVL_AK00590SC0005 [0,2,0,0,0,0|2,0,0]=4 1698 B14R1.162 Cc1ccc(o1)C(=O)NC[C@H](O)CO WXVL_AK00483SC0005 [0,2,0,0,0,0|2,0,0]=4 1699 B14R1.162 Cc1ccc(o1)C(=O)NC[C@H](O)CO WXVL_AK00483SC0005 [0,2,0,0,0,0|2,0,0]=4 1700 B14R1.162 O=C(NC[C@@H](F)CO)c1ccc(o1)Cl WXVL_AK00590SC0926 [0,2,0,0,0,0|2,0,0]=4 1701 B14R1.162 O=C(NC[C@@H](F)CO)c1ccc(o1)Cl WXVL_AK00590SC0926 [0,2,0,0,0,0|2,0,0]=4 1702 B14R1.162 O=C(NC[C@H](O)CO)c1ccc(o1)Cl WXVL_AK00483SC0926 [0,2,0,0,0,0|2,0,0]=4 1703 B14R1.162 O=C(NC[C@H](O)CO)c1ccc(o1)Cl WXVL_AK00483SC0926 [0,2,0,0,0,0|2,0,0]=4 1704 B14R1.165 COCCN(C)C(=O)c1ccc(o1)C WXVL_AN0085SC0005 [0,2,0,0,0,0|2,0,0]=4 1705 B14R1.165 COCCN(C)C(=O)c1ccc(o1)C WXVL_AN0085SC0005 [0,2,0,0,0,0|2,0,0]=4 1706 B14R1.165 COCCN(C)C(=O)c1ccc(o1)Cl WXVL_AN0085SC0926 [0,2,0,0,0,0|2,0,0]=4 1707 B14R1.165 COCCN(C)C(=O)c1ccc(o1)Cl WXVL_AN0085SC0926 [0,2,0,0,0,0|2,0,0]=4 1708 B14R1.1040 CCCCNC(=O)c1cc(c[nH]1)C#N WXVL_AK00588SC2642 [0,2,0,0,0,0|2,0,0]=4 1709 B14R1.1040 CCCCNC(=O)c1cc(c[nH]1)C#N WXVL_AK00588SC2642 [0,2,0,0,0,0|2,0,0]=4 1710 B14R1.1040 CCCCNC(=O)c1ccc(o1)CO WXVL_AK00588SC0443 [0,2,0,0,0,0|1,0,0]=3 1711 B14R1.1040 CCCCNC(=O)c1ccc(o1)CO WXVL_AK00588SC0443 [0,2,0,0,0,0|1,0,0]=3 1712 B14R1.1040 CCCCNC(=O)c1ccc(s1)C#N WXVL_AK00588SC0586 [0,2,0,0,0,0|1,1,0]=4 1713 B14R1.1040 CCCCNC(=O)c1ccc(s1)C#N WXVL_AK00588SC0586 [0,2,0,0,0,0|1,1,0]=4 1714 B14R1.1040 CCCCNC(=O)c1ccc(s1)OC WXVL_AK00588SC1134 [0,2,0,0,0,0|1,1,0]=4 1715 B14R1.1040 CCCCNC(=O)c1ccc(s1)OC WXVL_AK00588SC1134 [0,2,0,0,0,0|1,1,0]=4 1716 B14R1.1040 CCCCNC(=O)c1ccc(s1)SC WXVL_AK00588SC0929 [0,2,0,0,0,0|1,1,0]=4 1717 B14R1.1040 CCCCNC(=O)c1ccc(s1)SC WXVL_AK00588SC0929 [0,2,0,0,0,0|1,1,0]=4 1718 B14R1.1040 CSCCNC(=O)c1ccc(o1)CO WXVL_AK00440SC0443 [0,2,0,0,0,0|2,0,0]=4 1719 B14R1.1040 CSCCNC(=O)c1ccc(o1)CO WXVL_AK00440SC0443 [0,2,0,0,0,0|2,0,0]=4 1720 B14R1.1040 O=C(NCCCO)c1ccc(o1)CO WXVL_AK0073SC0443 [0,2,0,0,0,0|2,0,0]=4 1721 B14R1.1040 O=C(NCCCO)c1ccc(o1)CO WXVL_AK0073SC0443 [0,2,0,0,0,0|2,0,0]=4 1722 B14R1.1041 CCCCNC(=O)c1cc(cn1C)F WXVL_AK00588SC0315 [0,2,0,0,0,0|2,0,0]=4 1723 B14R1.1041 CCCCNC(=O)c1cc(cn1C)F WXVL_AK00588SC0315 [0,2,0,0,0,0|2,0,0]=4 1724 B14R1.1041 CCCCNC(=O)c1oc(nc1C)C WXVL_AK00588SC0466 [0,2,0,0,0,0|2,0,0]=4 1725 B14R1.1041 CCCCNC(=O)c1oc(nc1C)C WXVL_AK00588SC0466 [0,2,0,0,0,0|2,0,0]=4 1726 B14R1.1041 CCCCNC(=O)c1sc(cc1Br)Br WXVL_AK00588SC0250 [0,2,0,0,0,0|1,1,0]=4 1727 B14R1.1041 CCCCNC(=O)c1sc(cc1Br)Br WXVL_AK00588SC0250 [0,2,0,0,0,0|1,1,0]=4 1728 B14R1.1042 CCCCNC(=O)c1cc(c(s1)Br)C WXVL_AK00588SC1503 [0,2,0,0,0,0|1,1,0]=4 1729 B14R1.1042 CCCCNC(=O)c1cc(c(s1)Br)C WXVL_AK00588SC1503 [0,2,0,0,0,0|1,1,0]=4 1730 B14R1.1042 CCCCNC(=O)c1cc(c(s1)Br)Cl WXVL_AK00588SC1222 [0,2,0,0,0,0|1,1,0]=4 1731 B14R1.1042 CCCCNC(=O)c1cc(c(s1)Br)Cl WXVL_AK00588SC1222 [0,2,0,0,0,0|1,1,0]=4 1732 B14R1.1042 CCCCNC(=O)c1cc(c(s1)C)Br WXVL_AK00588SC1300 [0,2,0,0,0,0|1,1,0]=4 1733 B14R1.1042 CCCCNC(=O)c1cc(c(s1)C)Br WXVL_AK00588SC1300 [0,2,0,0,0,0|1,1,0]=4 1734 B14R1.1042 CCCCNC(=O)c1cc(c(s1)Cl)Cl WXVL_AK00588SC1256 [0,2,0,0,0,0|1,1,0]=4 1735 B14R1.1042 CCCCNC(=O)c1cc(c(s1)Cl)Cl WXVL_AK00588SC1256 [0,2,0,0,0,0|1,1,0]=4 1736 B14R1.3022 CCCCNC(=O)c1[nH]cc(c1C)C WXVL_AK00588SC0721 [0,2,0,0,0,0|2,0,0]=4 1737 B14R1.3022 CCCCNC(=O)c1[nH]cc(c1C)C WXVL_AK00588SC0721 [0,2,0,0,0,0|2,0,0]=4 1738 B14R1.3022 CCCCNC(=O)c1scc(c1C)C WXVL_AK00588SC1211 [0,2,0,0,0,0|1,1,0]=4 1739 B14R1.3022 CCCCNC(=O)c1scc(c1C)C WXVL_AK00588SC1211 [0,2,0,0,0,0|1,1,0]=4 1740 B14R1.3022 CCCCNC(=O)c1scc(c1Cl)C WXVL_AK00588SC0955 [0,2,0,0,0,0|1,1,0]=4 1741 B14R1.3022 CCCCNC(=O)c1scc(c1Cl)C WXVL_AK00588SC0955 [0,2,0,0,0,0|1,1,0]=4 1742 B14R1.4268 CC(C)CCNC(=O)c1cc(c[nH]1)Br WXVL_AK0068SC0644 [0,2,0,0,0,0|2,0,0]=4 1743 B14R1.4268 CC(C)CCNC(=O)c1cc(c[nH]1)Br WXVL_AK0068SC0644 [0,2,0,0,0,0|2,0,0]=4 1744 B14R1.4268 CC(C)CCNC(=O)c1cc(c[nH]1)F WXVL_AK0068SC0334 [0,2,0,0,0,0|2,0,0]=4 1745 B14R1.4268 CC(C)CCNC(=O)c1cc(c[nH]1)F WXVL_AK0068SC0334 [0,2,0,0,0,0|2,0,0]=4 1746 B14R1.4268 CC(C)CCNC(=O)c1cc(cs1)Br WXVL_AK0068SC0188 [0,2,0,0,0,0|1,1,0]=4 1747 B14R1.4268 CC(C)CCNC(=O)c1cc(cs1)Br WXVL_AK0068SC0188 [0,2,0,0,0,0|1,1,0]=4 1748 B14R1.4268 CC(C)CCNC(=O)c1cc(no1)O WXVL_AK0068SC0522 [0,2,0,0,0,0|2,0,0]=4 1749 B14R1.4268 CC(C)CCNC(=O)c1cc(no1)O WXVL_AK0068SC0522 [0,2,0,0,0,0|2,0,0]=4 1750 B14R1.4268 CC(C)CCNC(=O)c1ccc(o1)Cl WXVL_AK0068SC0926 [0,2,0,0,0,0|1,0,0]=3 1751 B14R1.4268 CC(C)CCNC(=O)c1ccc(o1)Cl WXVL_AK0068SC0926 [0,2,0,0,0,0|1,0,0]=3 1752 B14R1.4268 CC(C)CCNC(=O)c1ccc(s1)Br WXVL_AK0068SC0359 [0,2,0,0,0,0|1,1,0]=4 1753 B14R1.4268 CC(C)CCNC(=O)c1ccc(s1)Br WXVL_AK0068SC0359 [0,2,0,0,0,0|1,1,0]=4 1754 B14R1.4268 CC(C)CCNC(=O)c1ccc(s1)Cl WXVL_AK0068SC0067 [0,2,0,0,0,0|1,1,0]=4 1755 B14R1.4268 CC(C)CCNC(=O)c1ccc(s1)Cl WXVL_AK0068SC0067 [0,2,0,0,0,0|1,1,0]=4 1756 B14R1.4268 CC(C)CCNC(=O)c1cnc(o1)Br WXVL_AK0068SC0815 [0,2,0,0,0,0|2,0,0]=4 1757 B14R1.4268 CC(C)CCNC(=O)c1cnc(o1)Br WXVL_AK0068SC0815 [0,2,0,0,0,0|2,0,0]=4 1758 B14R1.4268 CN(C)CCNC(=O)c1ccc(o1)Cl WXVL_AK0058SC0926 [0,2,0,0,0,0|2,0,0]=4 1759 B14R1.4268 CN(C)CCNC(=O)c1ccc(o1)Cl WXVL_AK0058SC0926 [0,2,0,0,0,0|2,0,0]=4 1760 B14R1.4268 Cc1c[nH]c(c1)C(=O)NCCC(C)C WXVL_AK0068SC0830 [0,2,0,0,0,0|2,0,0]=4 1761 B14R1.4268 Cc1c[nH]c(c1)C(=O)NCCC(C)C WXVL_AK0068SC0830 [0,2,0,0,0,0|2,0,0]=4 1762 B14R1.4268 Cc1cc(on1)C(=O)NCCC(C)C WXVL_AK0068SC0089 [0,2,0,0,0,0|2,0,0]=4 1763 B14R1.4268 Cc1cc(on1)C(=O)NCCC(C)C WXVL_AK0068SC0089 [0,2,0,0,0,0|2,0,0]=4 1764 B14R1.4268 Cc1ccc(o1)C(=O)NCCC(C)C WXVL_AK0068SC0005 [0,2,0,0,0,0|1,0,0]=3 1765 B14R1.4268 Cc1ccc(o1)C(=O)NCCC(C)C WXVL_AK0068SC0005 [0,2,0,0,0,0|1,0,0]=3 1766 B14R1.4268 Cc1ccc(o1)C(=O)NCCN(C)C WXVL_AK0058SC0005 [0,2,0,0,0,0|2,0,0]=4 1767 B14R1.4268 Cc1ccc(o1)C(=O)NCCN(C)C WXVL_AK0058SC0005 [0,2,0,0,0,0|2,0,0]=4 1768 B14R1.4268 Cc1ccc(s1)C(=O)NCCC(C)C WXVL_AK0068SC0053 [0,2,0,0,0,0|1,1,0]=4 1769 B14R1.4268 Cc1ccc(s1)C(=O)NCCC(C)C WXVL_AK0068SC0053 [0,2,0,0,0,0|1,1,0]=4 1770 B14R1.4268 Cc1csc(c1)C(=O)NCCC(C)C WXVL_AK0068SC0004 [0,2,0,0,0,0|1,1,0]=4 1771 B14R1.4268 Cc1csc(c1)C(=O)NCCC(C)C WXVL_AK0068SC0004 [0,2,0,0,0,0|1,1,0]=4 1772 B14R1.453 CCC[C@@H](CO)NC(=O)c1ccco1 WXVL_AK2551SC0049 [0,2,0,0,0,0|1,0,0]=3 1773 B14R1.453 CCC[C@@H](CO)NC(=O)c1ccco1 WXVL_AK2551SC0049 [0,2,0,0,0,0|1,0,0]=3 1774 B14R1.453 CCC[C@@H](CO)NC(=O)c1cccs1 WXVL_AK2551SC0051 [0,2,0,0,0,0|1,1,0]=4 1775 B14R1.453 CCC[C@@H](CO)NC(=O)c1cccs1 WXVL_AK2551SC0051 [0,2,0,0,0,0|1,1,0]=4 1776 B14R1.453 CCC[C@@H](CO)NC(=O)c1ccno1 WXVL_AK2551SC0080 [0,2,0,0,0,0|2,0,0]=4 1777 B14R1.453 CCC[C@@H](CO)NC(=O)c1ccno1 WXVL_AK2551SC0080 [0,2,0,0,0,0|2,0,0]=4 1778 B14R1.453 CCC[C@@H](CO)NC(=O)c1cnco1 WXVL_AK2551SC0018 [0,2,0,0,0,0|2,0,0]=4 1779 B14R1.453 CCC[C@@H](CO)NC(=O)c1cnco1 WXVL_AK2551SC0018 [0,2,0,0,0,0|2,0,0]=4 1780 B14R1.807 CC(CN(C)C)NC(=O)c1ccco1 WXVL_AK0938SC0049 [0,2,0,0,0,0|2,0,0]=4 1781 B14R1.807 CC(CN(C)C)NC(=O)c1ccco1 WXVL_AK0938SC0049 [0,2,0,0,0,0|2,0,0]=4 1782 B14R1.3242 CC(CCO)NC(=O)c1occc1Br WXVL_AK1288SC0241 [0,2,0,0,0,0|2,0,0]=4 1783 B14R1.3242 CC(CCO)NC(=O)c1occc1Br WXVL_AK1288SC0241 [0,2,0,0,0,0|2,0,0]=4 1784 B14R1.3242 CCC[C@H](C)NC(=O)c1[nH]ccc1C WXVL_AK00682SC1315 [0,2,0,0,0,0|2,0,0]=4 1785 B14R1.3242 CCC[C@H](C)NC(=O)c1[nH]ccc1C WXVL_AK00682SC1315 [0,2,0,0,0,0|2,0,0]=4 1786 B14R1.3242 CCC[C@H](C)NC(=O)c1occc1Br WXVL_AK00682SC0241 [0,2,0,0,0,0|1,0,0]=3 1787 B14R1.3242 CCC[C@H](C)NC(=O)c1occc1Br WXVL_AK00682SC0241 [0,2,0,0,0,0|1,0,0]=3 1788 B14R1.3242 CCC[C@H](C)NC(=O)c1occc1C WXVL_AK00682SC0230 [0,2,0,0,0,0|1,0,0]=3 1789 B14R1.3242 CCC[C@H](C)NC(=O)c1occc1C WXVL_AK00682SC0230 [0,2,0,0,0,0|1,0,0]=3 1790 B14R1.3242 CCC[C@H](C)NC(=O)c1ocnc1C WXVL_AK00682SC0103 [0,2,0,0,0,0|2,0,0]=4 1791 B14R1.3242 CCC[C@H](C)NC(=O)c1ocnc1C WXVL_AK00682SC0103 [0,2,0,0,0,0|2,0,0]=4 1792 B14R1.3242 CCC[C@H](C)NC(=O)c1oncc1C WXVL_AK00682SC0912 [0,2,0,0,0,0|2,0,0]=4 1793 B14R1.3242 CCC[C@H](C)NC(=O)c1oncc1C WXVL_AK00682SC0912 [0,2,0,0,0,0|2,0,0]=4 1794 B14R1.3242 CCC[C@H](C)NC(=O)c1sccc1Br WXVL_AK00682SC0364 [0,2,0,0,0,0|1,1,0]=4 1795 B14R1.3242 CCC[C@H](C)NC(=O)c1sccc1Br WXVL_AK00682SC0364 [0,2,0,0,0,0|1,1,0]=4 1796 B14R1.3242 CCC[C@H](C)NC(=O)c1sccc1C WXVL_AK00682SC0052 [0,2,0,0,0,0|1,1,0]=4 1797 B14R1.3242 CCC[C@H](C)NC(=O)c1sccc1C WXVL_AK00682SC0052 [0,2,0,0,0,0|1,1,0]=4 1798 B14R1.3242 CCC[C@H](C)NC(=O)c1sccc1Cl WXVL_AK00682SC0756 [0,2,0,0,0,0|1,1,0]=4 1799 B14R1.3242 CCC[C@H](C)NC(=O)c1sccc1Cl WXVL_AK00682SC0756 [0,2,0,0,0,0|1,1,0]=4 1800 B14R1.3242 CCC[C@H](C)NC(=O)c1sccc1F WXVL_AK00682SC0017 [0,2,0,0,0,0|1,1,0]=4 1801 B14R1.3242 CCC[C@H](C)NC(=O)c1sccc1F WXVL_AK00682SC0017 [0,2,0,0,0,0|1,1,0]=4 1802 B14R1.3242 CCC[C@H](C)NC(=O)c1sccc1I WXVL_AK00682SC1579 [0,2,0,0,0,0|1,1,0]=4 1803 B14R1.3242 CCC[C@H](C)NC(=O)c1sccc1I WXVL_AK00682SC1579 [0,2,0,0,0,0|1,1,0]=4 1804 B14R1.3242 COC[C@@H](C)NC(=O)c1occc1Br WXVL_AK00613SC0241 [0,2,0,0,0,0|2,0,0]=4 1805 B14R1.3242 COC[C@@H](C)NC(=O)c1occc1Br WXVL_AK00613SC0241 [0,2,0,0,0,0|2,0,0]=4 1806 B14R1.3242 COC[C@@H](C)NC(=O)c1occc1C WXVL_AK00613SC0230 [0,2,0,0,0,0|2,0,0]=4 1807 B14R1.3242 COC[C@@H](C)NC(=O)c1occc1C WXVL_AK00613SC0230 [0,2,0,0,0,0|2,0,0]=4 1808 B14R1.3242 COC[C@H](C)NC(=O)c1occc1Br WXVL_AK0137SC0241 [0,2,0,0,0,0|2,0,0]=4 1809 B14R1.3242 COC[C@H](C)NC(=O)c1occc1Br WXVL_AK0137SC0241 [0,2,0,0,0,0|2,0,0]=4 1810 B14R1.3242 COC[C@H](C)NC(=O)c1occc1C WXVL_AK0137SC0230 [0,2,0,0,0,0|2,0,0]=4 1811 B14R1.3242 COC[C@H](C)NC(=O)c1occc1C WXVL_AK0137SC0230 [0,2,0,0,0,0|2,0,0]=4 1812 B14R1.3242 Cc1ccoc1C(=O)NC(C)CCO WXVL_AK1288SC0230 [0,2,0,0,0,0|2,0,0]=4 1813 B14R1.3242 Cc1ccoc1C(=O)NC(C)CCO WXVL_AK1288SC0230 [0,2,0,0,0,0|2,0,0]=4 1814 B14R1.6822 COCC(C)(C)NC(=O)c1ccco1 WXVL_AK1295SC0049 [0,2,0,0,0,0|2,0,0]=4 1815 B14R1.6822 COCC(C)(C)NC(=O)c1ccco1 WXVL_AK1295SC0049 [0,2,0,0,0,0|2,0,0]=4 1816 B14R1.169 C#CCCCCNC(=O)c1ccco1 WXVL_AK00614SC0049 [0,2,0,0,0,0|0,0,1]=3 1817 B14R1.169 C#CCCCCNC(=O)c1ccco1 WXVL_AK00614SC0049 [0,2,0,0,0,0|0,0,1]=3 1818 B14R1.169 C#CCCCCNC(=O)c1cccs1 WXVL_AK00614SC0051 [0,2,0,0,0,0|0,1,1]=4 1819 B14R1.169 C#CCCCCNC(=O)c1cccs1 WXVL_AK00614SC0051 [0,2,0,0,0,0|0,1,1]=4 1820 B14R1.169 C#CCCCCNC(=O)c1ccno1 WXVL_AK00614SC0080 [0,2,0,0,0,0|1,0,1]=4 1821 B14R1.169 C#CCCCCNC(=O)c1ccno1 WXVL_AK00614SC0080 [0,2,0,0,0,0|1,0,1]=4 1822 B14R1.169 C#CCCCCNC(=O)c1cnco1 WXVL_AK00614SC0018 [0,2,0,0,0,0|1,0,1]=4 1823 B14R1.169 C#CCCCCNC(=O)c1cnco1 WXVL_AK00614SC0018 [0,2,0,0,0,0|1,0,1]=4 1824 B14R1.169 C#CCOCCNC(=O)c1ccco1 WXVL_AK00687SC0049 [0,2,0,0,0,0|0,0,2]=4 1825 B14R1.169 C#CCOCCNC(=O)c1ccco1 WXVL_AK00687SC0049 [0,2,0,0,0,0|0,0,2]=4 1826 B14R1.169 C=COCCCNC(=O)c1ccco1 WXVL_AK7221SC0049 [0,2,0,0,0,0|0,0,2]=4 1827 B14R1.169 C=COCCCNC(=O)c1ccco1 WXVL_AK7221SC0049 [0,2,0,0,0,0|0,0,2]=4 1828 B14R1.169 CCCCCCNC(=O)c1c[nH]cn1 WXVL_AK0286SC0074 [0,2,0,0,0,0|2,0,0]=4 1829 B14R1.169 CCCCCCNC(=O)c1c[nH]cn1 WXVL_AK0286SC0074 [0,2,0,0,0,0|2,0,0]=4 1830 B14R1.169 CCCCCCNC(=O)c1cc[nH]c1 WXVL_AK0286SC0013 [0,2,0,0,0,0|2,0,0]=4 1831 B14R1.169 CCCCCCNC(=O)c1cc[nH]c1 WXVL_AK0286SC0013 [0,2,0,0,0,0|2,0,0]=4 1832 B14R1.169 CCCCCCNC(=O)c1cc[nH]n1 WXVL_AK0286SC0003 [0,2,0,0,0,0|2,0,0]=4 1833 B14R1.169 CCCCCCNC(=O)c1cc[nH]n1 WXVL_AK0286SC0003 [0,2,0,0,0,0|2,0,0]=4 1834 B14R1.169 CCCCCCNC(=O)c1ccco1 WXVL_AK0286SC0049 [0,2,0,0,0,0|0,0,0]=2 1835 B14R1.169 CCCCCCNC(=O)c1ccco1 WXVL_AK0286SC0049 [0,2,0,0,0,0|0,0,0]=2 1836 B14R1.169 CCCCCCNC(=O)c1cccs1 WXVL_AK0286SC0051 [0,2,0,0,0,0|0,1,0]=3 1837 B14R1.169 CCCCCCNC(=O)c1cccs1 WXVL_AK0286SC0051 [0,2,0,0,0,0|0,1,0]=3 1838 B14R1.169 CCCCCCNC(=O)c1ccno1 WXVL_AK0286SC0080 [0,2,0,0,0,0|1,0,0]=3 1839 B14R1.169 CCCCCCNC(=O)c1ccno1 WXVL_AK0286SC0080 [0,2,0,0,0,0|1,0,0]=3 1840 B14R1.169 CCCCCCNC(=O)c1ccns1 WXVL_AK0286SC0027 [0,2,0,0,0,0|1,1,0]=4 1841 B14R1.169 CCCCCCNC(=O)c1ccns1 WXVL_AK0286SC0027 [0,2,0,0,0,0|1,1,0]=4 1842 B14R1.169 CCCCCCNC(=O)c1ccoc1 WXVL_AK0286SC0050 [0,2,0,0,0,0|2,0,0]=4 1843 B14R1.169 CCCCCCNC(=O)c1ccoc1 WXVL_AK0286SC0050 [0,2,0,0,0,0|2,0,0]=4 1844 B14R1.169 CCCCCCNC(=O)c1ccon1 WXVL_AK0286SC0116 [0,2,0,0,0,0|2,0,0]=4 1845 B14R1.169 CCCCCCNC(=O)c1ccon1 WXVL_AK0286SC0116 [0,2,0,0,0,0|2,0,0]=4 1846 B14R1.169 CCCCCCNC(=O)c1ccsc1 WXVL_AK0286SC0054 [0,2,0,0,0,0|2,0,0]=4 1847 B14R1.169 CCCCCCNC(=O)c1ccsc1 WXVL_AK0286SC0054 [0,2,0,0,0,0|2,0,0]=4 1848 B14R1.169 CCCCCCNC(=O)c1ccsn1 WXVL_AK0286SC0764 [0,2,0,0,0,0|2,0,0]=4 1849 B14R1.169 CCCCCCNC(=O)c1ccsn1 WXVL_AK0286SC0764 [0,2,0,0,0,0|2,0,0]=4 1850 B14R1.169 CCCCCCNC(=O)c1cnc[nH]1 WXVL_AK0286SC0247 [0,2,0,0,0,0|2,0,0]=4 1851 B14R1.169 CCCCCCNC(=O)c1cnc[nH]1 WXVL_AK0286SC0247 [0,2,0,0,0,0|2,0,0]=4 1852 B14R1.169 CCCCCCNC(=O)c1cnco1 WXVL_AK0286SC0018 [0,2,0,0,0,0|1,0,0]=3 1853 B14R1.169 CCCCCCNC(=O)c1cnco1 WXVL_AK0286SC0018 [0,2,0,0,0,0|1,0,0]=3 1854 B14R1.169 CCCCCCNC(=O)c1cncs1 WXVL_AK0286SC0113 [0,2,0,0,0,0|1,1,0]=4 1855 B14R1.169 CCCCCCNC(=O)c1cncs1 WXVL_AK0286SC0113 [0,2,0,0,0,0|1,1,0]=4 1856 B14R1.169 CCCCCCNC(=O)c1cocn1 WXVL_AK0286SC0118 [0,2,0,0,0,0|2,0,0]=4 1857 B14R1.169 CCCCCCNC(=O)c1cocn1 WXVL_AK0286SC0118 [0,2,0,0,0,0|2,0,0]=4 1858 B14R1.169 CCCCCCNC(=O)c1cscn1 WXVL_AK0286SC0092 [0,2,0,0,0,0|2,0,0]=4 1859 B14R1.169 CCCCCCNC(=O)c1cscn1 WXVL_AK0286SC0092 [0,2,0,0,0,0|2,0,0]=4 1860 B14R1.169 CCCCCCNC(=O)c1nccs1 WXVL_AK0286SC0110 [0,2,0,0,0,0|1,1,0]=4 1861 B14R1.169 CCCCCCNC(=O)c1nccs1 WXVL_AK0286SC0110 [0,2,0,0,0,0|1,1,0]=4 1862 B14R1.169 CCOCCCNC(=O)c1c[nH]cn1 WXVL_AK0072SC0074 [0,2,0,0,0,0|2,0,0]=4 1863 B14R1.169 CCOCCCNC(=O)c1c[nH]cn1 WXVL_AK0072SC0074 [0,2,0,0,0,0|2,0,0]=4 1864 B14R1.169 CCOCCCNC(=O)c1cc[nH]c1 WXVL_AK0072SC0013 [0,2,0,0,0,0|2,0,0]=4 1865 B14R1.169 CCOCCCNC(=O)c1cc[nH]c1 WXVL_AK0072SC0013 [0,2,0,0,0,0|2,0,0]=4 1866 B14R1.169 CCOCCCNC(=O)c1cc[nH]n1 WXVL_AK0072SC0003 [0,2,0,0,0,0|2,0,0]=4 1867 B14R1.169 CCOCCCNC(=O)c1cc[nH]n1 WXVL_AK0072SC0003 [0,2,0,0,0,0|2,0,0]=4 1868 B14R1.169 CCOCCCNC(=O)c1ccco1 WXVL_AK0072SC0049 [0,2,0,0,0,0|0,0,0]=2 1869 B14R1.169 CCOCCCNC(=O)c1ccco1 WXVL_AK0072SC0049 [0,2,0,0,0,0|0,0,0]=2 1870 B14R1.169 CCOCCCNC(=O)c1cccs1 WXVL_AK0072SC0051 [0,2,0,0,0,0|0,1,0]=3 1871 B14R1.169 CCOCCCNC(=O)c1cccs1 WXVL_AK0072SC0051 [0,2,0,0,0,0|0,1,0]=3 1872 B14R1.169 CCOCCCNC(=O)c1ccno1 WXVL_AK0072SC0080 [0,2,0,0,0,0|1,0,0]=3 1873 B14R1.169 CCOCCCNC(=O)c1ccno1 WXVL_AK0072SC0080 [0,2,0,0,0,0|1,0,0]=3 1874 B14R1.169 CCOCCCNC(=O)c1ccns1 WXVL_AK0072SC0027 [0,2,0,0,0,0|1,1,0]=4 1875 B14R1.169 CCOCCCNC(=O)c1ccns1 WXVL_AK0072SC0027 [0,2,0,0,0,0|1,1,0]=4 1876 B14R1.169 CCOCCCNC(=O)c1ccoc1 WXVL_AK0072SC0050 [0,2,0,0,0,0|2,0,0]=4 1877 B14R1.169 CCOCCCNC(=O)c1ccoc1 WXVL_AK0072SC0050 [0,2,0,0,0,0|2,0,0]=4 1878 B14R1.169 CCOCCCNC(=O)c1ccon1 WXVL_AK0072SC0116 [0,2,0,0,0,0|2,0,0]=4 1879 B14R1.169 CCOCCCNC(=O)c1ccon1 WXVL_AK0072SC0116 [0,2,0,0,0,0|2,0,0]=4 1880 B14R1.169 CCOCCCNC(=O)c1ccsc1 WXVL_AK0072SC0054 [0,2,0,0,0,0|2,0,0]=4 1881 B14R1.169 CCOCCCNC(=O)c1ccsc1 WXVL_AK0072SC0054 [0,2,0,0,0,0|2,0,0]=4 1882 B14R1.169 CCOCCCNC(=O)c1ccsn1 WXVL_AK0072SC0764 [0,2,0,0,0,0|2,0,0]=4 1883 B14R1.169 CCOCCCNC(=O)c1ccsn1 WXVL_AK0072SC0764 [0,2,0,0,0,0|2,0,0]=4 1884 B14R1.169 CCOCCCNC(=O)c1cnc[nH]1 WXVL_AK0072SC0247 [0,2,0,0,0,0|2,0,0]=4 1885 B14R1.169 CCOCCCNC(=O)c1cnc[nH]1 WXVL_AK0072SC0247 [0,2,0,0,0,0|2,0,0]=4 1886 B14R1.169 CCOCCCNC(=O)c1cnco1 WXVL_AK0072SC0018 [0,2,0,0,0,0|1,0,0]=3 1887 B14R1.169 CCOCCCNC(=O)c1cnco1 WXVL_AK0072SC0018 [0,2,0,0,0,0|1,0,0]=3 1888 B14R1.169 CCOCCCNC(=O)c1cncs1 WXVL_AK0072SC0113 [0,2,0,0,0,0|1,1,0]=4 1889 B14R1.169 CCOCCCNC(=O)c1cncs1 WXVL_AK0072SC0113 [0,2,0,0,0,0|1,1,0]=4 1890 B14R1.169 CCOCCCNC(=O)c1cocn1 WXVL_AK0072SC0118 [0,2,0,0,0,0|2,0,0]=4 1891 B14R1.169 CCOCCCNC(=O)c1cocn1 WXVL_AK0072SC0118 [0,2,0,0,0,0|2,0,0]=4 1892 B14R1.169 CCOCCCNC(=O)c1cscn1 WXVL_AK0072SC0092 [0,2,0,0,0,0|2,0,0]=4 1893 B14R1.169 CCOCCCNC(=O)c1cscn1 WXVL_AK0072SC0092 [0,2,0,0,0,0|2,0,0]=4 1894 B14R1.169 CCOCCCNC(=O)c1nccs1 WXVL_AK0072SC0110 [0,2,0,0,0,0|1,1,0]=4 1895 B14R1.169 CCOCCCNC(=O)c1nccs1 WXVL_AK0072SC0110 [0,2,0,0,0,0|1,1,0]=4 1896 B14R1.169 O=C(NCCCCCO)c1c[nH]cn1 WXVL_AK0077SC0074 [0,2,0,0,0,0|2,0,0]=4 1897 B14R1.169 O=C(NCCCCCO)c1c[nH]cn1 WXVL_AK0077SC0074 [0,2,0,0,0,0|2,0,0]=4 1898 B14R1.169 O=C(NCCCCCO)c1cc[nH]c1 WXVL_AK0077SC0013 [0,2,0,0,0,0|2,0,0]=4 1899 B14R1.169 O=C(NCCCCCO)c1cc[nH]c1 WXVL_AK0077SC0013 [0,2,0,0,0,0|2,0,0]=4 1900 B14R1.169 O=C(NCCCCCO)c1cc[nH]n1 WXVL_AK0077SC0003 [0,2,0,0,0,0|2,0,0]=4 1901 B14R1.169 O=C(NCCCCCO)c1cc[nH]n1 WXVL_AK0077SC0003 [0,2,0,0,0,0|2,0,0]=4 1902 B14R1.169 O=C(NCCCCCO)c1ccco1 WXVL_AK0077SC0049 [0,2,0,0,0,0|0,0,0]=2 1903 B14R1.169 O=C(NCCCCCO)c1ccco1 WXVL_AK0077SC0049 [0,2,0,0,0,0|0,0,0]=2 1904 B14R1.169 O=C(NCCCCCO)c1cccs1 WXVL_AK0077SC0051 [0,2,0,0,0,0|0,1,0]=3 1905 B14R1.169 O=C(NCCCCCO)c1cccs1 WXVL_AK0077SC0051 [0,2,0,0,0,0|0,1,0]=3 1906 B14R1.169 O=C(NCCCCCO)c1ccno1 WXVL_AK0077SC0080 [0,2,0,0,0,0|1,0,0]=3 1907 B14R1.169 O=C(NCCCCCO)c1ccno1 WXVL_AK0077SC0080 [0,2,0,0,0,0|1,0,0]=3 1908 B14R1.169 O=C(NCCCCCO)c1ccns1 WXVL_AK0077SC0027 [0,2,0,0,0,0|1,1,0]=4 1909 B14R1.169 O=C(NCCCCCO)c1ccns1 WXVL_AK0077SC0027 [0,2,0,0,0,0|1,1,0]=4 1910 B14R1.169 O=C(NCCCCCO)c1ccoc1 WXVL_AK0077SC0050 [0,2,0,0,0,0|2,0,0]=4 1911 B14R1.169 O=C(NCCCCCO)c1ccoc1 WXVL_AK0077SC0050 [0,2,0,0,0,0|2,0,0]=4 1912 B14R1.169 O=C(NCCCCCO)c1ccon1 WXVL_AK0077SC0116 [0,2,0,0,0,0|2,0,0]=4 1913 B14R1.169 O=C(NCCCCCO)c1ccon1 WXVL_AK0077SC0116 [0,2,0,0,0,0|2,0,0]=4 1914 B14R1.169 O=C(NCCCCCO)c1ccsc1 WXVL_AK0077SC0054 [0,2,0,0,0,0|2,0,0]=4 1915 B14R1.169 O=C(NCCCCCO)c1ccsc1 WXVL_AK0077SC0054 [0,2,0,0,0,0|2,0,0]=4 1916 B14R1.169 O=C(NCCCCCO)c1ccsn1 WXVL_AK0077SC0764 [0,2,0,0,0,0|2,0,0]=4 1917 B14R1.169 O=C(NCCCCCO)c1ccsn1 WXVL_AK0077SC0764 [0,2,0,0,0,0|2,0,0]=4 1918 B14R1.169 O=C(NCCCCCO)c1cnc[nH]1 WXVL_AK0077SC0247 [0,2,0,0,0,0|2,0,0]=4 1919 B14R1.169 O=C(NCCCCCO)c1cnc[nH]1 WXVL_AK0077SC0247 [0,2,0,0,0,0|2,0,0]=4 1920 B14R1.169 O=C(NCCCCCO)c1cnco1 WXVL_AK0077SC0018 [0,2,0,0,0,0|1,0,0]=3 1921 B14R1.169 O=C(NCCCCCO)c1cnco1 WXVL_AK0077SC0018 [0,2,0,0,0,0|1,0,0]=3 1922 B14R1.169 O=C(NCCCCCO)c1cncs1 WXVL_AK0077SC0113 [0,2,0,0,0,0|1,1,0]=4 1923 B14R1.169 O=C(NCCCCCO)c1cncs1 WXVL_AK0077SC0113 [0,2,0,0,0,0|1,1,0]=4 1924 B14R1.169 O=C(NCCCCCO)c1cocn1 WXVL_AK0077SC0118 [0,2,0,0,0,0|2,0,0]=4 1925 B14R1.169 O=C(NCCCCCO)c1cocn1 WXVL_AK0077SC0118 [0,2,0,0,0,0|2,0,0]=4 1926 B14R1.169 O=C(NCCCCCO)c1cscn1 WXVL_AK0077SC0092 [0,2,0,0,0,0|2,0,0]=4 1927 B14R1.169 O=C(NCCCCCO)c1cscn1 WXVL_AK0077SC0092 [0,2,0,0,0,0|2,0,0]=4 1928 B14R1.169 O=C(NCCCCCO)c1nccs1 WXVL_AK0077SC0110 [0,2,0,0,0,0|1,1,0]=4 1929 B14R1.169 O=C(NCCCCCO)c1nccs1 WXVL_AK0077SC0110 [0,2,0,0,0,0|1,1,0]=4 1930 B14R1.169 O=C(NCCNCCO)c1ccco1 WXVL_AK0954SC0049 [0,2,0,0,0,0|1,0,0]=3 1931 B14R1.169 O=C(NCCNCCO)c1ccco1 WXVL_AK0954SC0049 [0,2,0,0,0,0|1,0,0]=3 1932 B14R1.169 O=C(NCCNCCO)c1cccs1 WXVL_AK0954SC0051 [0,2,0,0,0,0|1,1,0]=4 1933 B14R1.169 O=C(NCCNCCO)c1cccs1 WXVL_AK0954SC0051 [0,2,0,0,0,0|1,1,0]=4 1934 B14R1.169 O=C(NCCNCCO)c1ccno1 WXVL_AK0954SC0080 [0,2,0,0,0,0|2,0,0]=4 1935 B14R1.169 O=C(NCCNCCO)c1ccno1 WXVL_AK0954SC0080 [0,2,0,0,0,0|2,0,0]=4 1936 B14R1.169 O=C(NCCNCCO)c1cnco1 WXVL_AK0954SC0018 [0,2,0,0,0,0|2,0,0]=4 1937 B14R1.169 O=C(NCCNCCO)c1cnco1 WXVL_AK0954SC0018 [0,2,0,0,0,0|2,0,0]=4 1938 B14R1.418 CC(=O)NCCNC(=O)c1ccco1 WXVL_AK0057SC0049 [0,2,0,0,0,0|1,0,1]=4 1939 B14R1.418 CC(=O)NCCNC(=O)c1ccco1 WXVL_AK0057SC0049 [0,2,0,0,0,0|1,0,1]=4 1940 B14R1.418 CC(C)OCCNC(=O)c1ccco1 WXVL_AK0128SC0049 [0,2,0,0,0,0|1,0,0]=3 1941 B14R1.418 CC(C)OCCNC(=O)c1ccco1 WXVL_AK0128SC0049 [0,2,0,0,0,0|1,0,0]=3 1942 B14R1.418 CC(C)OCCNC(=O)c1cccs1 WXVL_AK0128SC0051 [0,2,0,0,0,0|1,1,0]=4 1943 B14R1.418 CC(C)OCCNC(=O)c1cccs1 WXVL_AK0128SC0051 [0,2,0,0,0,0|1,1,0]=4 1944 B14R1.418 CC(C)OCCNC(=O)c1ccno1 WXVL_AK0128SC0080 [0,2,0,0,0,0|2,0,0]=4 1945 B14R1.418 CC(C)OCCNC(=O)c1ccno1 WXVL_AK0128SC0080 [0,2,0,0,0,0|2,0,0]=4 1946 B14R1.418 CC(C)OCCNC(=O)c1cnco1 WXVL_AK0128SC0018 [0,2,0,0,0,0|2,0,0]=4 1947 B14R1.418 CC(C)OCCNC(=O)c1cnco1 WXVL_AK0128SC0018 [0,2,0,0,0,0|2,0,0]=4 1948 B14R1.442 CCCCCNS(=O)(=O)c1cccs1 WXVL_AK0076HU0005 [0,2,0,0,0,0|1,1,0]=4 1949 B14R1.442 CCCCCNS(=O)(=O)c1cccs1 WXVL_AK0076HU0005 [0,2,0,0,0,0|1,1,0]=4 1950 B14R1.729 CC(CO)CCNC(=O)c1ccco1 WXVL_AK4143SC0049 [0,2,0,0,0,0|1,0,0]=3 1951 B14R1.729 CC(CO)CCNC(=O)c1ccco1 WXVL_AK4143SC0049 [0,2,0,0,0,0|1,0,0]=3 1952 B14R1.729 CC(CO)CCNC(=O)c1cccs1 WXVL_AK4143SC0051 [0,2,0,0,0,0|1,1,0]=4 1953 B14R1.729 CC(CO)CCNC(=O)c1cccs1 WXVL_AK4143SC0051 [0,2,0,0,0,0|1,1,0]=4 1954 B14R1.729 CC(CO)CCNC(=O)c1ccno1 WXVL_AK4143SC0080 [0,2,0,0,0,0|2,0,0]=4 1955 B14R1.729 CC(CO)CCNC(=O)c1ccno1 WXVL_AK4143SC0080 [0,2,0,0,0,0|2,0,0]=4 1956 B14R1.729 CC(CO)CCNC(=O)c1cnco1 WXVL_AK4143SC0018 [0,2,0,0,0,0|2,0,0]=4 1957 B14R1.729 CC(CO)CCNC(=O)c1cnco1 WXVL_AK4143SC0018 [0,2,0,0,0,0|2,0,0]=4 1958 B14R1.3360 C#CCCCNC(=O)c1occc1Br WXVL_AK00218SC0241 [0,2,0,0,0,0|0,0,2]=4 1959 B14R1.3360 C#CCCCNC(=O)c1occc1Br WXVL_AK00218SC0241 [0,2,0,0,0,0|0,0,2]=4 1960 B14R1.3360 C#CCCCNC(=O)c1occc1C WXVL_AK00218SC0230 [0,2,0,0,0,0|0,0,2]=4 1961 B14R1.3360 C#CCCCNC(=O)c1occc1C WXVL_AK00218SC0230 [0,2,0,0,0,0|0,0,2]=4 1962 B14R1.3360 CCCCCNC(=O)c1[nH]ccc1C WXVL_AK0076SC1315 [0,2,0,0,0,0|1,0,0]=3 1963 B14R1.3360 CCCCCNC(=O)c1[nH]ccc1C WXVL_AK0076SC1315 [0,2,0,0,0,0|1,0,0]=3 1964 B14R1.3360 CCCCCNC(=O)c1[nH]cnc1C WXVL_AK0076SC0269 [0,2,0,0,0,0|2,0,0]=4 1965 B14R1.3360 CCCCCNC(=O)c1[nH]cnc1C WXVL_AK0076SC0269 [0,2,0,0,0,0|2,0,0]=4 1966 B14R1.3360 CCCCCNC(=O)c1c[nH]cc1C WXVL_AK0076SC0251 [0,2,0,0,0,0|2,0,0]=4 1967 B14R1.3360 CCCCCNC(=O)c1c[nH]cc1C WXVL_AK0076SC0251 [0,2,0,0,0,0|2,0,0]=4 1968 B14R1.3360 CCCCCNC(=O)c1ccnn1C WXVL_AK0076SC0090 [0,2,0,0,0,0|2,0,0]=4 1969 B14R1.3360 CCCCCNC(=O)c1ccnn1C WXVL_AK0076SC0090 [0,2,0,0,0,0|2,0,0]=4 1970 B14R1.3360 CCCCCNC(=O)c1ccsc1C WXVL_AK0076SC1037 [0,2,0,0,0,0|2,0,0]=4 1971 B14R1.3360 CCCCCNC(=O)c1ccsc1C WXVL_AK0076SC1037 [0,2,0,0,0,0|2,0,0]=4 1972 B14R1.3360 CCCCCNC(=O)c1ccsc1Cl WXVL_AK0076SC0794 [0,2,0,0,0,0|2,0,0]=4 1973 B14R1.3360 CCCCCNC(=O)c1ccsc1Cl WXVL_AK0076SC0794 [0,2,0,0,0,0|2,0,0]=4 1974 B14R1.3360 CCCCCNC(=O)c1cncn1C WXVL_AK0076SC0099 [0,2,0,0,0,0|2,0,0]=4 1975 B14R1.3360 CCCCCNC(=O)c1cncn1C WXVL_AK0076SC0099 [0,2,0,0,0,0|2,0,0]=4 1976 B14R1.3360 CCCCCNC(=O)c1cscc1Br WXVL_AK0076SC1024 [0,2,0,0,0,0|2,0,0]=4 1977 B14R1.3360 CCCCCNC(=O)c1cscc1Br WXVL_AK0076SC1024 [0,2,0,0,0,0|2,0,0]=4 1978 B14R1.3360 CCCCCNC(=O)c1cscc1C WXVL_AK0076SC0257 [0,2,0,0,0,0|2,0,0]=4 1979 B14R1.3360 CCCCCNC(=O)c1cscc1C WXVL_AK0076SC0257 [0,2,0,0,0,0|2,0,0]=4 1980 B14R1.3360 CCCCCNC(=O)c1n[nH]cc1I WXVL_AK0076SC0442 [0,2,0,0,0,0|2,0,0]=4 1981 B14R1.3360 CCCCCNC(=O)c1n[nH]cc1I WXVL_AK0076SC0442 [0,2,0,0,0,0|2,0,0]=4 1982 B14R1.3360 CCCCCNC(=O)c1nccn1C WXVL_AK0076SC0106 [0,2,0,0,0,0|2,0,0]=4 1983 B14R1.3360 CCCCCNC(=O)c1nccn1C WXVL_AK0076SC0106 [0,2,0,0,0,0|2,0,0]=4 1984 B14R1.3360 CCCCCNC(=O)c1ncoc1C WXVL_AK0076SC0732 [0,2,0,0,0,0|2,0,0]=4 1985 B14R1.3360 CCCCCNC(=O)c1ncoc1C WXVL_AK0076SC0732 [0,2,0,0,0,0|2,0,0]=4 1986 B14R1.3360 CCCCCNC(=O)c1ncsc1Br WXVL_AK0076SC0192 [0,2,0,0,0,0|2,0,0]=4 1987 B14R1.3360 CCCCCNC(=O)c1ncsc1Br WXVL_AK0076SC0192 [0,2,0,0,0,0|2,0,0]=4 1988 B14R1.3360 CCCCCNC(=O)c1ncsc1C WXVL_AK0076SC0722 [0,2,0,0,0,0|2,0,0]=4 1989 B14R1.3360 CCCCCNC(=O)c1ncsc1C WXVL_AK0076SC0722 [0,2,0,0,0,0|2,0,0]=4 1990 B14R1.3360 CCCCCNC(=O)c1occc1Br WXVL_AK0076SC0241 [0,2,0,0,0,0|0,0,0]=2 1991 B14R1.3360 CCCCCNC(=O)c1occc1Br WXVL_AK0076SC0241 [0,2,0,0,0,0|0,0,0]=2 1992 B14R1.3360 CCCCCNC(=O)c1occc1C WXVL_AK0076SC0230 [0,2,0,0,0,0|0,0,0]=2 1993 B14R1.3360 CCCCCNC(=O)c1occc1C WXVL_AK0076SC0230 [0,2,0,0,0,0|0,0,0]=2 1994 B14R1.3360 CCCCCNC(=O)c1ocnc1C WXVL_AK0076SC0103 [0,2,0,0,0,0|1,0,0]=3 1995 B14R1.3360 CCCCCNC(=O)c1ocnc1C WXVL_AK0076SC0103 [0,2,0,0,0,0|1,0,0]=3 1996 B14R1.3360 CCCCCNC(=O)c1oncc1C WXVL_AK0076SC0912 [0,2,0,0,0,0|1,0,0]=3 1997 B14R1.3360 CCCCCNC(=O)c1oncc1C WXVL_AK0076SC0912 [0,2,0,0,0,0|1,0,0]=3 1998 B14R1.3360 CCCCCNC(=O)c1sccc1Br WXVL_AK0076SC0364 [0,2,0,0,0,0|0,1,0]=3 1999 B14R1.3360 CCCCCNC(=O)c1sccc1Br WXVL_AK0076SC0364 [0,2,0,0,0,0|0,1,0]=3 2000 B14R1.3360 CCCCCNC(=O)c1sccc1C WXVL_AK0076SC0052 [0,2,0,0,0,0|0,1,0]=3 2001 B14R1.3360 CCCCCNC(=O)c1sccc1C WXVL_AK0076SC0052 [0,2,0,0,0,0|0,1,0]=3 2002 B14R1.3360 CCCCCNC(=O)c1sccc1Cl WXVL_AK0076SC0756 [0,2,0,0,0,0|0,1,0]=3 2003 B14R1.3360 CCCCCNC(=O)c1sccc1Cl WXVL_AK0076SC0756 [0,2,0,0,0,0|0,1,0]=3 2004 B14R1.3360 CCCCCNC(=O)c1sccc1F WXVL_AK0076SC0017 [0,2,0,0,0,0|0,1,0]=3 2005 B14R1.3360 CCCCCNC(=O)c1sccc1F WXVL_AK0076SC0017 [0,2,0,0,0,0|0,1,0]=3 2006 B14R1.3360 CCCCCNC(=O)c1sccc1I WXVL_AK0076SC1579 [0,2,0,0,0,0|0,1,0]=3 2007 B14R1.3360 CCCCCNC(=O)c1sccc1I WXVL_AK0076SC1579 [0,2,0,0,0,0|0,1,0]=3 2008 B14R1.3360 CCCCCNC(=O)c1scnc1C WXVL_AK0076SC0093 [0,2,0,0,0,0|1,1,0]=4 2009 B14R1.3360 CCCCCNC(=O)c1scnc1C WXVL_AK0076SC0093 [0,2,0,0,0,0|1,1,0]=4 2010 B14R1.3360 CCSCCNC(=O)c1[nH]ccc1C WXVL_AK00494SC1315 [0,2,0,0,0,0|2,0,0]=4 2011 B14R1.3360 CCSCCNC(=O)c1[nH]ccc1C WXVL_AK00494SC1315 [0,2,0,0,0,0|2,0,0]=4 2012 B14R1.3360 CCSCCNC(=O)c1occc1Br WXVL_AK00494SC0241 [0,2,0,0,0,0|1,0,0]=3 2013 B14R1.3360 CCSCCNC(=O)c1occc1Br WXVL_AK00494SC0241 [0,2,0,0,0,0|1,0,0]=3 2014 B14R1.3360 CCSCCNC(=O)c1occc1C WXVL_AK00494SC0230 [0,2,0,0,0,0|1,0,0]=3 2015 B14R1.3360 CCSCCNC(=O)c1occc1C WXVL_AK00494SC0230 [0,2,0,0,0,0|1,0,0]=3 2016 B14R1.3360 CCSCCNC(=O)c1ocnc1C WXVL_AK00494SC0103 [0,2,0,0,0,0|2,0,0]=4 2017 B14R1.3360 CCSCCNC(=O)c1ocnc1C WXVL_AK00494SC0103 [0,2,0,0,0,0|2,0,0]=4 2018 B14R1.3360 CCSCCNC(=O)c1oncc1C WXVL_AK00494SC0912 [0,2,0,0,0,0|2,0,0]=4 2019 B14R1.3360 CCSCCNC(=O)c1oncc1C WXVL_AK00494SC0912 [0,2,0,0,0,0|2,0,0]=4 2020 B14R1.3360 CCSCCNC(=O)c1sccc1Br WXVL_AK00494SC0364 [0,2,0,0,0,0|1,1,0]=4 2021 B14R1.3360 CCSCCNC(=O)c1sccc1Br WXVL_AK00494SC0364 [0,2,0,0,0,0|1,1,0]=4 2022 B14R1.3360 CCSCCNC(=O)c1sccc1C WXVL_AK00494SC0052 [0,2,0,0,0,0|1,1,0]=4 2023 B14R1.3360 CCSCCNC(=O)c1sccc1C WXVL_AK00494SC0052 [0,2,0,0,0,0|1,1,0]=4 2024 B14R1.3360 CCSCCNC(=O)c1sccc1Cl WXVL_AK00494SC0756 [0,2,0,0,0,0|1,1,0]=4 2025 B14R1.3360 CCSCCNC(=O)c1sccc1Cl WXVL_AK00494SC0756 [0,2,0,0,0,0|1,1,0]=4 2026 B14R1.3360 CCSCCNC(=O)c1sccc1F WXVL_AK00494SC0017 [0,2,0,0,0,0|1,1,0]=4 2027 B14R1.3360 CCSCCNC(=O)c1sccc1F WXVL_AK00494SC0017 [0,2,0,0,0,0|1,1,0]=4 2028 B14R1.3360 CCSCCNC(=O)c1sccc1I WXVL_AK00494SC1579 [0,2,0,0,0,0|1,1,0]=4 2029 B14R1.3360 CCSCCNC(=O)c1sccc1I WXVL_AK00494SC1579 [0,2,0,0,0,0|1,1,0]=4 2030 B14R1.3360 COCCCNC(=O)c1[nH]ccc1C WXVL_AK00637SC1315 [0,2,0,0,0,0|2,0,0]=4 2031 B14R1.3360 COCCCNC(=O)c1[nH]ccc1C WXVL_AK00637SC1315 [0,2,0,0,0,0|2,0,0]=4 2032 B14R1.3360 COCCCNC(=O)c1occc1Br WXVL_AK00637SC0241 [0,2,0,0,0,0|1,0,0]=3 2033 B14R1.3360 COCCCNC(=O)c1occc1Br WXVL_AK00637SC0241 [0,2,0,0,0,0|1,0,0]=3 2034 B14R1.3360 COCCCNC(=O)c1occc1C WXVL_AK00637SC0230 [0,2,0,0,0,0|1,0,0]=3 2035 B14R1.3360 COCCCNC(=O)c1occc1C WXVL_AK00637SC0230 [0,2,0,0,0,0|1,0,0]=3 2036 B14R1.3360 COCCCNC(=O)c1ocnc1C WXVL_AK00637SC0103 [0,2,0,0,0,0|2,0,0]=4 2037 B14R1.3360 COCCCNC(=O)c1ocnc1C WXVL_AK00637SC0103 [0,2,0,0,0,0|2,0,0]=4 2038 B14R1.3360 COCCCNC(=O)c1oncc1C WXVL_AK00637SC0912 [0,2,0,0,0,0|2,0,0]=4 2039 B14R1.3360 COCCCNC(=O)c1oncc1C WXVL_AK00637SC0912 [0,2,0,0,0,0|2,0,0]=4 2040 B14R1.3360 COCCCNC(=O)c1sccc1Br WXVL_AK00637SC0364 [0,2,0,0,0,0|1,1,0]=4 2041 B14R1.3360 COCCCNC(=O)c1sccc1Br WXVL_AK00637SC0364 [0,2,0,0,0,0|1,1,0]=4 2042 B14R1.3360 COCCCNC(=O)c1sccc1C WXVL_AK00637SC0052 [0,2,0,0,0,0|1,1,0]=4 2043 B14R1.3360 COCCCNC(=O)c1sccc1C WXVL_AK00637SC0052 [0,2,0,0,0,0|1,1,0]=4 2044 B14R1.3360 COCCCNC(=O)c1sccc1Cl WXVL_AK00637SC0756 [0,2,0,0,0,0|1,1,0]=4 2045 B14R1.3360 COCCCNC(=O)c1sccc1Cl WXVL_AK00637SC0756 [0,2,0,0,0,0|1,1,0]=4 2046 B14R1.3360 COCCCNC(=O)c1sccc1F WXVL_AK00637SC0017 [0,2,0,0,0,0|1,1,0]=4 2047 B14R1.3360 COCCCNC(=O)c1sccc1F WXVL_AK00637SC0017 [0,2,0,0,0,0|1,1,0]=4 2048 B14R1.3360 COCCCNC(=O)c1sccc1I WXVL_AK00637SC1579 [0,2,0,0,0,0|1,1,0]=4 2049 B14R1.3360 COCCCNC(=O)c1sccc1I WXVL_AK00637SC1579 [0,2,0,0,0,0|1,1,0]=4 2050 B14R1.3360 CSCCCNC(=O)c1[nH]ccc1C WXVL_AK0965SC1315 [0,2,0,0,0,0|2,0,0]=4 2051 B14R1.3360 CSCCCNC(=O)c1[nH]ccc1C WXVL_AK0965SC1315 [0,2,0,0,0,0|2,0,0]=4 2052 B14R1.3360 CSCCCNC(=O)c1occc1Br WXVL_AK0965SC0241 [0,2,0,0,0,0|1,0,0]=3 2053 B14R1.3360 CSCCCNC(=O)c1occc1Br WXVL_AK0965SC0241 [0,2,0,0,0,0|1,0,0]=3 2054 B14R1.3360 CSCCCNC(=O)c1occc1C WXVL_AK0965SC0230 [0,2,0,0,0,0|1,0,0]=3 2055 B14R1.3360 CSCCCNC(=O)c1occc1C WXVL_AK0965SC0230 [0,2,0,0,0,0|1,0,0]=3 2056 B14R1.3360 CSCCCNC(=O)c1ocnc1C WXVL_AK0965SC0103 [0,2,0,0,0,0|2,0,0]=4 2057 B14R1.3360 CSCCCNC(=O)c1ocnc1C WXVL_AK0965SC0103 [0,2,0,0,0,0|2,0,0]=4 2058 B14R1.3360 CSCCCNC(=O)c1oncc1C WXVL_AK0965SC0912 [0,2,0,0,0,0|2,0,0]=4 2059 B14R1.3360 CSCCCNC(=O)c1oncc1C WXVL_AK0965SC0912 [0,2,0,0,0,0|2,0,0]=4 2060 B14R1.3360 CSCCCNC(=O)c1sccc1Br WXVL_AK0965SC0364 [0,2,0,0,0,0|1,1,0]=4 2061 B14R1.3360 CSCCCNC(=O)c1sccc1Br WXVL_AK0965SC0364 [0,2,0,0,0,0|1,1,0]=4 2062 B14R1.3360 CSCCCNC(=O)c1sccc1C WXVL_AK0965SC0052 [0,2,0,0,0,0|1,1,0]=4 2063 B14R1.3360 CSCCCNC(=O)c1sccc1C WXVL_AK0965SC0052 [0,2,0,0,0,0|1,1,0]=4 2064 B14R1.3360 CSCCCNC(=O)c1sccc1Cl WXVL_AK0965SC0756 [0,2,0,0,0,0|1,1,0]=4 2065 B14R1.3360 CSCCCNC(=O)c1sccc1Cl WXVL_AK0965SC0756 [0,2,0,0,0,0|1,1,0]=4 2066 B14R1.3360 CSCCCNC(=O)c1sccc1F WXVL_AK0965SC0017 [0,2,0,0,0,0|1,1,0]=4 2067 B14R1.3360 CSCCCNC(=O)c1sccc1F WXVL_AK0965SC0017 [0,2,0,0,0,0|1,1,0]=4 2068 B14R1.3360 CSCCCNC(=O)c1sccc1I WXVL_AK0965SC1579 [0,2,0,0,0,0|1,1,0]=4 2069 B14R1.3360 CSCCCNC(=O)c1sccc1I WXVL_AK0965SC1579 [0,2,0,0,0,0|1,1,0]=4 2070 B14R1.3360 Cc1cc[nH]c1C(=O)NCCCCO WXVL_AK0075SC1315 [0,2,0,0,0,0|2,0,0]=4 2071 B14R1.3360 Cc1cc[nH]c1C(=O)NCCCCO WXVL_AK0075SC1315 [0,2,0,0,0,0|2,0,0]=4 2072 B14R1.3360 Cc1ccoc1C(=O)NCCCCO WXVL_AK0075SC0230 [0,2,0,0,0,0|1,0,0]=3 2073 B14R1.3360 Cc1ccoc1C(=O)NCCCCO WXVL_AK0075SC0230 [0,2,0,0,0,0|1,0,0]=3 2074 B14R1.3360 Cc1ccsc1C(=O)NCCCCO WXVL_AK0075SC0052 [0,2,0,0,0,0|1,1,0]=4 2075 B14R1.3360 Cc1ccsc1C(=O)NCCCCO WXVL_AK0075SC0052 [0,2,0,0,0,0|1,1,0]=4 2076 B14R1.3360 Cc1cnoc1C(=O)NCCCCO WXVL_AK0075SC0912 [0,2,0,0,0,0|2,0,0]=4 2077 B14R1.3360 Cc1cnoc1C(=O)NCCCCO WXVL_AK0075SC0912 [0,2,0,0,0,0|2,0,0]=4 2078 B14R1.3360 Cc1ncoc1C(=O)NCCCCO WXVL_AK0075SC0103 [0,2,0,0,0,0|2,0,0]=4 2079 B14R1.3360 Cc1ncoc1C(=O)NCCCCO WXVL_AK0075SC0103 [0,2,0,0,0,0|2,0,0]=4 2080 B14R1.3360 O=C(NCCCCO)c1occc1Br WXVL_AK0075SC0241 [0,2,0,0,0,0|1,0,0]=3 2081 B14R1.3360 O=C(NCCCCO)c1occc1Br WXVL_AK0075SC0241 [0,2,0,0,0,0|1,0,0]=3 2082 B14R1.3360 O=C(NCCCCO)c1sccc1Br WXVL_AK0075SC0364 [0,2,0,0,0,0|1,1,0]=4 2083 B14R1.3360 O=C(NCCCCO)c1sccc1Br WXVL_AK0075SC0364 [0,2,0,0,0,0|1,1,0]=4 2084 B14R1.3360 O=C(NCCCCO)c1sccc1Cl WXVL_AK0075SC0756 [0,2,0,0,0,0|1,1,0]=4 2085 B14R1.3360 O=C(NCCCCO)c1sccc1Cl WXVL_AK0075SC0756 [0,2,0,0,0,0|1,1,0]=4 2086 B14R1.3360 O=C(NCCCCO)c1sccc1F WXVL_AK0075SC0017 [0,2,0,0,0,0|1,1,0]=4 2087 B14R1.3360 O=C(NCCCCO)c1sccc1F WXVL_AK0075SC0017 [0,2,0,0,0,0|1,1,0]=4 2088 B14R1.3360 O=C(NCCCCO)c1sccc1I WXVL_AK0075SC1579 [0,2,0,0,0,0|1,1,0]=4 2089 B14R1.3360 O=C(NCCCCO)c1sccc1I WXVL_AK0075SC1579 [0,2,0,0,0,0|1,1,0]=4 2090 B14R1.301 CC(C)(CO)CNC(=O)c1ccco1 WXVL_AK0104SC0049 [0,2,0,0,0,0|2,0,0]=4 2091 B14R1.301 CC(C)(CO)CNC(=O)c1ccco1 WXVL_AK0104SC0049 [0,2,0,0,0,0|2,0,0]=4 2092 B14R1.721 CC[C@H](C)NC(=O)C(=O)c1ccco1 WXVL_AK00678SA0049 [0,2,0,0,0,0|1,0,1]=4 2093 B14R1.721 CC[C@H](C)NC(=O)C(=O)c1ccco1 WXVL_AK00678SA0049 [0,2,0,0,0,0|1,0,1]=4 2094 B14R1.4461 CO[C@H](C)CNC(=O)c1occc1Br WXVL_AK00704SC0241 [0,2,0,0,0,0|2,0,0]=4 2095 B14R1.4461 CO[C@H](C)CNC(=O)c1occc1Br WXVL_AK00704SC0241 [0,2,0,0,0,0|2,0,0]=4 2096 B14R1.4461 CO[C@H](C)CNC(=O)c1occc1C WXVL_AK00704SC0230 [0,2,0,0,0,0|2,0,0]=4 2097 B14R1.4461 CO[C@H](C)CNC(=O)c1occc1C WXVL_AK00704SC0230 [0,2,0,0,0,0|2,0,0]=4 2098 B14R1.4461 Cc1ccoc1C(=O)NC[C@@H](F)CO WXVL_AK00590SC0230 [0,2,0,0,0,0|2,0,0]=4 2099 B14R1.4461 Cc1ccoc1C(=O)NC[C@@H](F)CO WXVL_AK00590SC0230 [0,2,0,0,0,0|2,0,0]=4 2100 B14R1.4461 Cc1ccoc1C(=O)NC[C@H](O)CO WXVL_AK00483SC0230 [0,2,0,0,0,0|2,0,0]=4 2101 B14R1.4461 Cc1ccoc1C(=O)NC[C@H](O)CO WXVL_AK00483SC0230 [0,2,0,0,0,0|2,0,0]=4 2102 B14R1.4461 O=C(NC[C@@H](F)CO)c1occc1Br WXVL_AK00590SC0241 [0,2,0,0,0,0|2,0,0]=4 2103 B14R1.4461 O=C(NC[C@@H](F)CO)c1occc1Br WXVL_AK00590SC0241 [0,2,0,0,0,0|2,0,0]=4 2104 B14R1.4461 O=C(NC[C@H](O)CO)c1occc1Br WXVL_AK00483SC0241 [0,2,0,0,0,0|2,0,0]=4 2105 B14R1.4461 O=C(NC[C@H](O)CO)c1occc1Br WXVL_AK00483SC0241 [0,2,0,0,0,0|2,0,0]=4 2106 B14R1.808 CC(C)CNC(=O)C(=O)c1ccco1 WXVL_AK00544SA0049 [0,2,0,0,0,0|1,0,1]=4 2107 B14R1.808 CC(C)CNC(=O)C(=O)c1ccco1 WXVL_AK00544SA0049 [0,2,0,0,0,0|1,0,1]=4 2108 B14R1.808 CC(O)CNC(=O)C(=O)c1ccco1 WXVL_AK0052SA0049 [0,2,0,0,0,0|1,0,1]=4 2109 B14R1.808 CC(O)CNC(=O)C(=O)c1ccco1 WXVL_AK0052SA0049 [0,2,0,0,0,0|1,0,1]=4 2110 B14R1.808 CN(C)CCN(C)C(=O)c1ccco1 WXVL_AN0052SC0049 [0,2,0,0,0,0|2,0,0]=4 2111 B14R1.808 CN(C)CCN(C)C(=O)c1ccco1 WXVL_AN0052SC0049 [0,2,0,0,0,0|2,0,0]=4 2112 B14R1.808 C[C@H](O)CNC(=O)C(=O)c1ccco1 WXVL_AK0113SA0049 [0,2,0,0,0,0|1,0,1]=4 2113 B14R1.808 C[C@H](O)CNC(=O)C(=O)c1ccco1 WXVL_AK0113SA0049 [0,2,0,0,0,0|1,0,1]=4 2114 B14R1.4475 COCCN(C)C(=O)c1occc1Br WXVL_AN0085SC0241 [0,2,0,0,0,0|2,0,0]=4 2115 B14R1.4475 COCCN(C)C(=O)c1occc1Br WXVL_AN0085SC0241 [0,2,0,0,0,0|2,0,0]=4 2116 B14R1.4475 COCCN(C)C(=O)c1occc1C WXVL_AN0085SC0230 [0,2,0,0,0,0|2,0,0]=4 2117 B14R1.4475 COCCN(C)C(=O)c1occc1C WXVL_AN0085SC0230 [0,2,0,0,0,0|2,0,0]=4 2118 B14R1.4488 CC(C)CCNC(=O)c1occc1Br WXVL_AK0068SC0241 [0,2,0,0,0,0|1,0,0]=3 2119 B14R1.4488 CC(C)CCNC(=O)c1occc1Br WXVL_AK0068SC0241 [0,2,0,0,0,0|1,0,0]=3 2120 B14R1.4488 CC(C)CCNC(=O)c1sccc1Br WXVL_AK0068SC0364 [0,2,0,0,0,0|1,1,0]=4 2121 B14R1.4488 CC(C)CCNC(=O)c1sccc1Br WXVL_AK0068SC0364 [0,2,0,0,0,0|1,1,0]=4 2122 B14R1.4488 CC(C)CCNC(=O)c1sccc1Cl WXVL_AK0068SC0756 [0,2,0,0,0,0|1,1,0]=4 2123 B14R1.4488 CC(C)CCNC(=O)c1sccc1Cl WXVL_AK0068SC0756 [0,2,0,0,0,0|1,1,0]=4 2124 B14R1.4488 CC(C)CCNC(=O)c1sccc1F WXVL_AK0068SC0017 [0,2,0,0,0,0|1,1,0]=4 2125 B14R1.4488 CC(C)CCNC(=O)c1sccc1F WXVL_AK0068SC0017 [0,2,0,0,0,0|1,1,0]=4 2126 B14R1.4488 CC(C)CCNC(=O)c1sccc1I WXVL_AK0068SC1579 [0,2,0,0,0,0|1,1,0]=4 2127 B14R1.4488 CC(C)CCNC(=O)c1sccc1I WXVL_AK0068SC1579 [0,2,0,0,0,0|1,1,0]=4 2128 B14R1.4488 CN(C)CCNC(=O)c1occc1Br WXVL_AK0058SC0241 [0,2,0,0,0,0|2,0,0]=4 2129 B14R1.4488 CN(C)CCNC(=O)c1occc1Br WXVL_AK0058SC0241 [0,2,0,0,0,0|2,0,0]=4 2130 B14R1.4488 Cc1cc[nH]c1C(=O)NCCC(C)C WXVL_AK0068SC1315 [0,2,0,0,0,0|2,0,0]=4 2131 B14R1.4488 Cc1cc[nH]c1C(=O)NCCC(C)C WXVL_AK0068SC1315 [0,2,0,0,0,0|2,0,0]=4 2132 B14R1.4488 Cc1ccoc1C(=O)NCCC(C)C WXVL_AK0068SC0230 [0,2,0,0,0,0|1,0,0]=3 2133 B14R1.4488 Cc1ccoc1C(=O)NCCC(C)C WXVL_AK0068SC0230 [0,2,0,0,0,0|1,0,0]=3 2134 B14R1.4488 Cc1ccoc1C(=O)NCCN(C)C WXVL_AK0058SC0230 [0,2,0,0,0,0|2,0,0]=4 2135 B14R1.4488 Cc1ccoc1C(=O)NCCN(C)C WXVL_AK0058SC0230 [0,2,0,0,0,0|2,0,0]=4 2136 B14R1.4488 Cc1ccsc1C(=O)NCCC(C)C WXVL_AK0068SC0052 [0,2,0,0,0,0|1,1,0]=4 2137 B14R1.4488 Cc1ccsc1C(=O)NCCC(C)C WXVL_AK0068SC0052 [0,2,0,0,0,0|1,1,0]=4 2138 B14R1.4488 Cc1cnoc1C(=O)NCCC(C)C WXVL_AK0068SC0912 [0,2,0,0,0,0|2,0,0]=4 2139 B14R1.4488 Cc1cnoc1C(=O)NCCC(C)C WXVL_AK0068SC0912 [0,2,0,0,0,0|2,0,0]=4 2140 B14R1.4488 Cc1ncoc1C(=O)NCCC(C)C WXVL_AK0068SC0103 [0,2,0,0,0,0|2,0,0]=4 2141 B14R1.4488 Cc1ncoc1C(=O)NCCC(C)C WXVL_AK0068SC0103 [0,2,0,0,0,0|2,0,0]=4 2142 B14R1.6458 CC(C)(O)CCNC(=O)c1ccco1 WXVL_AK1558SC0049 [0,2,0,0,0,0|1,0,0]=3 2143 B14R1.6458 CC(C)(O)CCNC(=O)c1ccco1 WXVL_AK1558SC0049 [0,2,0,0,0,0|1,0,0]=3 2144 B14R1.6458 CC(C)(O)CCNC(=O)c1cccs1 WXVL_AK1558SC0051 [0,2,0,0,0,0|1,1,0]=4 2145 B14R1.6458 CC(C)(O)CCNC(=O)c1cccs1 WXVL_AK1558SC0051 [0,2,0,0,0,0|1,1,0]=4 2146 B14R1.6458 CC(C)(O)CCNC(=O)c1ccno1 WXVL_AK1558SC0080 [0,2,0,0,0,0|2,0,0]=4 2147 B14R1.6458 CC(C)(O)CCNC(=O)c1ccno1 WXVL_AK1558SC0080 [0,2,0,0,0,0|2,0,0]=4 2148 B14R1.6458 CC(C)(O)CCNC(=O)c1cnco1 WXVL_AK1558SC0018 [0,2,0,0,0,0|2,0,0]=4 2149 B14R1.6458 CC(C)(O)CCNC(=O)c1cnco1 WXVL_AK1558SC0018 [0,2,0,0,0,0|2,0,0]=4 2150 B14R1.6458 CS(=O)(=O)CCNC(=O)c1ccco1 WXVL_AK0333SC0049 [0,2,0,0,0,0|2,0,0]=4 2151 B14R1.6458 CS(=O)(=O)CCNC(=O)c1ccco1 WXVL_AK0333SC0049 [0,2,0,0,0,0|2,0,0]=4 2152 B14R1.6458 O=C(NCCC(F)(F)F)c1ccco1 WXVL_AK0145SC0049 [0,2,0,0,0,0|2,0,0]=4 2153 B14R1.6458 O=C(NCCC(F)(F)F)c1ccco1 WXVL_AK0145SC0049 [0,2,0,0,0,0|2,0,0]=4 2154 B14R1.1045 CCCCNC(=O)c1sccc1OC WXVL_AK00588SC0825 [0,2,0,0,0,0|1,1,0]=4 2155 B14R1.1045 CCCCNC(=O)c1sccc1OC WXVL_AK00588SC0825 [0,2,0,0,0,0|1,1,0]=4 2156 B12R2.2 C1=C(CCCC1)c2cccs2 WXVL_LR0498BT0857 [1,0,0,1,0,0|0,1,1]=4 2157 B12R2.2 C1=C(CCCC1)c2cccs2 WXVL_LR0498BT0936 [1,0,0,1,0,0|0,1,1]=4 2158 B12R2.2074 O=C(NC1CC1)c2ccco2 WXVL_AK0001SC0049 [1,0,0,1,0,0|1,0,0]=3 2159 B12R2.2074 O=C(NC1CC1)c2ccco2 WXVL_AK0001SC0049 [1,0,0,1,0,0|1,0,0]=3 2160 B12R2.2074 O=C(NC1CC1)c2cccs2 WXVL_AK0001SC0051 [1,0,0,1,0,0|1,1,0]=4 2161 B12R2.2074 O=C(NC1CC1)c2cccs2 WXVL_AK0001SC0051 [1,0,0,1,0,0|1,1,0]=4 2162 B12R2.2074 O=C(NC1CC1)c2ccno2 WXVL_AK0001SC0080 [1,0,0,1,0,0|2,0,0]=4 2163 B12R2.2074 O=C(NC1CC1)c2ccno2 WXVL_AK0001SC0080 [1,0,0,1,0,0|2,0,0]=4 2164 B12R2.2074 O=C(NC1CC1)c2cnco2 WXVL_AK0001SC0018 [1,0,0,1,0,0|2,0,0]=4 2165 B12R2.2074 O=C(NC1CC1)c2cnco2 WXVL_AK0001SC0018 [1,0,0,1,0,0|2,0,0]=4 2166 B14R2.114 O=C(c1ccccc1)N2CCCC2 WXVL_AN0008SD0001 [0,0,0,1,0,1|2,0,0]=4 2167 B14R2.114 O=C(c1ccccc1)N2CCCC2 WXVL_AN0008SD0001 [0,0,0,1,0,1|2,0,0]=4 2168 B14R2.114 O=C(c1ccccn1)N2CCCC2 WXVL_AN0008SC0058 [0,0,0,1,0,1|2,0,0]=4 2169 B14R2.114 O=C(c1ccccn1)N2CCCC2 WXVL_AN0008SC0058 [0,0,0,1,0,1|2,0,0]=4 2170 B14R2.114 O=C(c1cccnc1)N2CCCC2 WXVL_AN0008SC0061 [0,0,0,1,0,1|2,0,0]=4 2171 B14R2.114 O=C(c1cccnc1)N2CCCC2 WXVL_AN0008SC0061 [0,0,0,1,0,1|2,0,0]=4 2172 B14R2.114 O=C(c1cccnn1)N2CCCC2 WXVL_AN0008SC0374 [0,0,0,1,0,1|2,0,0]=4 2173 B14R2.114 O=C(c1cccnn1)N2CCCC2 WXVL_AN0008SC0374 [0,0,0,1,0,1|2,0,0]=4 2174 B14R2.114 O=C(c1ccncc1)N2CCCC2 WXVL_AN0008SC0062 [0,0,0,1,0,1|2,0,0]=4 2175 B14R2.114 O=C(c1ccncc1)N2CCCC2 WXVL_AN0008SC0062 [0,0,0,1,0,1|2,0,0]=4 2176 B14R2.114 O=C(c1ccncn1)N2CCCC2 WXVL_AN0008SC0231 [0,0,0,1,0,1|2,0,0]=4 2177 B14R2.114 O=C(c1ccncn1)N2CCCC2 WXVL_AN0008SC0231 [0,0,0,1,0,1|2,0,0]=4 2178 B14R2.114 O=C(c1ncccn1)N2CCCC2 WXVL_AN0008SC0096 [0,0,0,1,0,1|2,0,0]=4 2179 B14R2.114 O=C(c1ncccn1)N2CCCC2 WXVL_AN0008SC0096 [0,0,0,1,0,1|2,0,0]=4 2180 B14R2.793 O=C(Cc1cccs1)N2CCCC2 WXVL_AN0008SA0018 [0,0,0,1,0,1|1,1,0]=4 2181 B14R2.793 O=C(Cc1cccs1)N2CCCC2 WXVL_AN0008SA0018 [0,0,0,1,0,1|1,1,0]=4 2182 B14R2.793 O=C(Nc1cc[nH]n1)C2CCCC2 WXVL_AF2373SB0043 [0,0,0,1,0,1|2,0,0]=4 2183 B14R2.793 O=C(Nc1cc[nH]n1)C2CCCC2 WXVL_AF2373SB0043 [0,0,0,1,0,1|2,0,0]=4 2184 B14R2.793 O=C(Nc1ccn[nH]1)C2CCCC2 WXVL_AF0122SB0043 [0,0,0,1,0,1|2,0,0]=4 2185 B14R2.793 O=C(Nc1ccn[nH]1)C2CCCC2 WXVL_AF0122SB0043 [0,0,0,1,0,1|2,0,0]=4 2186 B14R2.793 O=C(Nc1ccno1)C2CCCC2 WXVL_AF0588SB0043 [0,0,0,1,0,1|1,0,0]=3 2187 B14R2.793 O=C(Nc1ccno1)C2CCCC2 WXVL_AF0588SB0043 [0,0,0,1,0,1|1,0,0]=3 2188 B14R2.793 O=C(Nc1ccno1)C2CCCO2 WXVL_AF0588SB1033 [0,0,0,1,0,1|2,0,0]=4 2189 B14R2.793 O=C(Nc1ccno1)C2CCCO2 WXVL_AF0588SB1033 [0,0,0,1,0,1|2,0,0]=4 2190 B14R2.793 O=C(Nc1ccno1)C2CCCS2 WXVL_AF0588SB0022 [0,0,0,1,0,1|2,0,0]=4 2191 B14R2.793 O=C(Nc1ccno1)C2CCCS2 WXVL_AF0588SB0022 [0,0,0,1,0,1|2,0,0]=4 2192 B14R2.793 O=C(Nc1ccno1)[C@H]2CCCO2 WXVL_AF0588SB00043 [0,0,0,1,0,1|2,0,0]=4 2193 B14R2.793 O=C(Nc1ccno1)[C@H]2CCCO2 WXVL_AF0588SB00043 [0,0,0,1,0,1|2,0,0]=4 2194 B14R2.793 O=C(Nc1ccns1)C2CCCC2 WXVL_AF00325SB0043 [0,0,0,1,0,1|1,1,0]=4 2195 B14R2.793 O=C(Nc1ccns1)C2CCCC2 WXVL_AF00325SB0043 [0,0,0,1,0,1|1,1,0]=4 2196 B14R2.793 O=C(Nc1ccon1)C2CCCC2 WXVL_AF0028SB0043 [0,0,0,1,0,1|2,0,0]=4 2197 B14R2.793 O=C(Nc1ccon1)C2CCCC2 WXVL_AF0028SB0043 [0,0,0,1,0,1|2,0,0]=4 2198 B14R2.793 O=C(Nc1ccsc1)C2CCCC2 WXVL_AF00105SB0043 [0,0,0,1,0,1|2,0,0]=4 2199 B14R2.793 O=C(Nc1ccsc1)C2CCCC2 WXVL_AF00105SB0043 [0,0,0,1,0,1|2,0,0]=4 2200 B14R2.793 O=C(Nc1cnc[nH]1)C2CCCC2 WXVL_AF00103SB0043 [0,0,0,1,0,1|2,0,0]=4 2201 B14R2.793 O=C(Nc1cnc[nH]1)C2CCCC2 WXVL_AF00103SB0043 [0,0,0,1,0,1|2,0,0]=4 2202 B14R2.793 O=C(Nc1cncs1)C2CCCC2 WXVL_AF0724SB0043 [0,0,0,1,0,1|1,1,0]=4 2203 B14R2.793 O=C(Nc1cncs1)C2CCCC2 WXVL_AF0724SB0043 [0,0,0,1,0,1|1,1,0]=4 2204 B14R2.793 O=C(Nc1cscn1)C2CCCC2 WXVL_AF00216SB0043 [0,0,0,1,0,1|2,0,0]=4 2205 B14R2.793 O=C(Nc1cscn1)C2CCCC2 WXVL_AF00216SB0043 [0,0,0,1,0,1|2,0,0]=4 2206 B14R2.793 O=C(Nc1ncc[nH]1)C2CCCC2 WXVL_AF0297SB0043 [0,0,0,1,0,1|2,0,0]=4 2207 B14R2.793 O=C(Nc1ncc[nH]1)C2CCCC2 WXVL_AF0297SB0043 [0,0,0,1,0,1|2,0,0]=4 2208 B14R2.793 O=C(Nc1ncco1)C2CCCC2 WXVL_AF0235SB0043 [0,0,0,1,0,1|1,0,0]=3 2209 B14R2.793 O=C(Nc1ncco1)C2CCCC2 WXVL_AF0235SB0043 [0,0,0,1,0,1|1,0,0]=3 2210 B14R2.793 O=C(Nc1ncco1)C2CCCO2 WXVL_AF0235SB1033 [0,0,0,1,0,1|2,0,0]=4 2211 B14R2.793 O=C(Nc1ncco1)C2CCCO2 WXVL_AF0235SB1033 [0,0,0,1,0,1|2,0,0]=4 2212 B14R2.793 O=C(Nc1ncco1)C2CCCS2 WXVL_AF0235SB0022 [0,0,0,1,0,1|2,0,0]=4 2213 B14R2.793 O=C(Nc1ncco1)C2CCCS2 WXVL_AF0235SB0022 [0,0,0,1,0,1|2,0,0]=4 2214 B14R2.793 O=C(Nc1ncco1)[C@H]2CCCO2 WXVL_AF0235SB00043 [0,0,0,1,0,1|2,0,0]=4 2215 B14R2.793 O=C(Nc1ncco1)[C@H]2CCCO2 WXVL_AF0235SB00043 [0,0,0,1,0,1|2,0,0]=4 2216 B14R2.793 O=C(Nc1nccs1)C2CCCC2 WXVL_AF0003SB0043 [0,0,0,1,0,1|1,1,0]=4 2217 B14R2.793 O=C(Nc1nccs1)C2CCCC2 WXVL_AF0003SB0043 [0,0,0,1,0,1|1,1,0]=4 2218 B14R2.793 O=C(Nc1nnco1)C2CCCC2 WXVL_AF0087SB0043 [0,0,0,1,0,1|2,0,0]=4 2219 B14R2.793 O=C(Nc1nnco1)C2CCCC2 WXVL_AF0087SB0043 [0,0,0,1,0,1|2,0,0]=4 2220 B14R2.9599 O=C(CCC1CC1)Nc2cc[nH]n2 WXVL_AF2373SB5360 [0,0,0,1,0,1|2,0,0]=4 2221 B14R2.9599 O=C(CCC1CC1)Nc2cc[nH]n2 WXVL_AF2373SB5360 [0,0,0,1,0,1|2,0,0]=4 2222 B14R2.9599 O=C(CCC1CC1)Nc2ccn[nH]2 WXVL_AF0122SB5360 [0,0,0,1,0,1|2,0,0]=4 2223 B14R2.9599 O=C(CCC1CC1)Nc2ccn[nH]2 WXVL_AF0122SB5360 [0,0,0,1,0,1|2,0,0]=4 2224 B14R2.9599 O=C(CCC1CC1)Nc2ccno2 WXVL_AF0588SB5360 [0,0,0,1,0,1|1,0,0]=3 2225 B14R2.9599 O=C(CCC1CC1)Nc2ccno2 WXVL_AF0588SB5360 [0,0,0,1,0,1|1,0,0]=3 2226 B14R2.9599 O=C(CCC1CC1)Nc2ccns2 WXVL_AF00325SB5360 [0,0,0,1,0,1|1,1,0]=4 2227 B14R2.9599 O=C(CCC1CC1)Nc2ccns2 WXVL_AF00325SB5360 [0,0,0,1,0,1|1,1,0]=4 2228 B14R2.9599 O=C(CCC1CC1)Nc2ccon2 WXVL_AF0028SB5360 [0,0,0,1,0,1|2,0,0]=4 2229 B14R2.9599 O=C(CCC1CC1)Nc2ccon2 WXVL_AF0028SB5360 [0,0,0,1,0,1|2,0,0]=4 2230 B14R2.9599 O=C(CCC1CC1)Nc2ccsc2 WXVL_AF00105SB5360 [0,0,0,1,0,1|2,0,0]=4 2231 B14R2.9599 O=C(CCC1CC1)Nc2ccsc2 WXVL_AF00105SB5360 [0,0,0,1,0,1|2,0,0]=4 2232 B14R2.9599 O=C(CCC1CC1)Nc2cnc[nH]2 WXVL_AF00103SB5360 [0,0,0,1,0,1|2,0,0]=4 2233 B14R2.9599 O=C(CCC1CC1)Nc2cnc[nH]2 WXVL_AF00103SB5360 [0,0,0,1,0,1|2,0,0]=4 2234 B14R2.9599 O=C(CCC1CC1)Nc2cncs2 WXVL_AF0724SB5360 [0,0,0,1,0,1|1,1,0]=4 2235 B14R2.9599 O=C(CCC1CC1)Nc2cncs2 WXVL_AF0724SB5360 [0,0,0,1,0,1|1,1,0]=4 2236 B14R2.9599 O=C(CCC1CC1)Nc2cscn2 WXVL_AF00216SB5360 [0,0,0,1,0,1|2,0,0]=4 2237 B14R2.9599 O=C(CCC1CC1)Nc2cscn2 WXVL_AF00216SB5360 [0,0,0,1,0,1|2,0,0]=4 2238 B14R2.9599 O=C(CCC1CC1)Nc2ncc[nH]2 WXVL_AF0297SB5360 [0,0,0,1,0,1|2,0,0]=4 2239 B14R2.9599 O=C(CCC1CC1)Nc2ncc[nH]2 WXVL_AF0297SB5360 [0,0,0,1,0,1|2,0,0]=4 2240 B14R2.9599 O=C(CCC1CC1)Nc2ncco2 WXVL_AF0235SB5360 [0,0,0,1,0,1|1,0,0]=3 2241 B14R2.9599 O=C(CCC1CC1)Nc2ncco2 WXVL_AF0235SB5360 [0,0,0,1,0,1|1,0,0]=3 2242 B14R2.9599 O=C(CCC1CC1)Nc2nccs2 WXVL_AF0003SB5360 [0,0,0,1,0,1|1,1,0]=4 2243 B14R2.9599 O=C(CCC1CC1)Nc2nccs2 WXVL_AF0003SB5360 [0,0,0,1,0,1|1,1,0]=4 2244 B14R2.9599 O=C(CCC1CC1)Nc2nnco2 WXVL_AF0087SB5360 [0,0,0,1,0,1|2,0,0]=4 2245 B14R2.9599 O=C(CCC1CC1)Nc2nnco2 WXVL_AF0087SB5360 [0,0,0,1,0,1|2,0,0]=4 2246 B14R2.31918 O=C(CC1CCC1)Nc2cc[nH]n2 WXVL_AF2373SB2207 [0,0,0,1,0,1|2,0,0]=4 2247 B14R2.31918 O=C(CC1CCC1)Nc2cc[nH]n2 WXVL_AF2373SB2207 [0,0,0,1,0,1|2,0,0]=4 2248 B14R2.31918 O=C(CC1CCC1)Nc2ccn[nH]2 WXVL_AF0122SB2207 [0,0,0,1,0,1|2,0,0]=4 2249 B14R2.31918 O=C(CC1CCC1)Nc2ccn[nH]2 WXVL_AF0122SB2207 [0,0,0,1,0,1|2,0,0]=4 2250 B14R2.31918 O=C(CC1CCC1)Nc2ccno2 WXVL_AF0588SB2207 [0,0,0,1,0,1|1,0,0]=3 2251 B14R2.31918 O=C(CC1CCC1)Nc2ccno2 WXVL_AF0588SB2207 [0,0,0,1,0,1|1,0,0]=3 2252 B14R2.31918 O=C(CC1CCC1)Nc2ccns2 WXVL_AF00325SB2207 [0,0,0,1,0,1|1,1,0]=4 2253 B14R2.31918 O=C(CC1CCC1)Nc2ccns2 WXVL_AF00325SB2207 [0,0,0,1,0,1|1,1,0]=4 2254 B14R2.31918 O=C(CC1CCC1)Nc2ccon2 WXVL_AF0028SB2207 [0,0,0,1,0,1|2,0,0]=4 2255 B14R2.31918 O=C(CC1CCC1)Nc2ccon2 WXVL_AF0028SB2207 [0,0,0,1,0,1|2,0,0]=4 2256 B14R2.31918 O=C(CC1CCC1)Nc2ccsc2 WXVL_AF00105SB2207 [0,0,0,1,0,1|2,0,0]=4 2257 B14R2.31918 O=C(CC1CCC1)Nc2ccsc2 WXVL_AF00105SB2207 [0,0,0,1,0,1|2,0,0]=4 2258 B14R2.31918 O=C(CC1CCC1)Nc2cnc[nH]2 WXVL_AF00103SB2207 [0,0,0,1,0,1|2,0,0]=4 2259 B14R2.31918 O=C(CC1CCC1)Nc2cnc[nH]2 WXVL_AF00103SB2207 [0,0,0,1,0,1|2,0,0]=4 2260 B14R2.31918 O=C(CC1CCC1)Nc2cncs2 WXVL_AF0724SB2207 [0,0,0,1,0,1|1,1,0]=4 2261 B14R2.31918 O=C(CC1CCC1)Nc2cncs2 WXVL_AF0724SB2207 [0,0,0,1,0,1|1,1,0]=4 2262 B14R2.31918 O=C(CC1CCC1)Nc2cscn2 WXVL_AF00216SB2207 [0,0,0,1,0,1|2,0,0]=4 2263 B14R2.31918 O=C(CC1CCC1)Nc2cscn2 WXVL_AF00216SB2207 [0,0,0,1,0,1|2,0,0]=4 2264 B14R2.31918 O=C(CC1CCC1)Nc2ncc[nH]2 WXVL_AF0297SB2207 [0,0,0,1,0,1|2,0,0]=4 2265 B14R2.31918 O=C(CC1CCC1)Nc2ncc[nH]2 WXVL_AF0297SB2207 [0,0,0,1,0,1|2,0,0]=4 2266 B14R2.31918 O=C(CC1CCC1)Nc2ncco2 WXVL_AF0235SB2207 [0,0,0,1,0,1|1,0,0]=3 2267 B14R2.31918 O=C(CC1CCC1)Nc2ncco2 WXVL_AF0235SB2207 [0,0,0,1,0,1|1,0,0]=3 2268 B14R2.31918 O=C(CC1CCC1)Nc2nccs2 WXVL_AF0003SB2207 [0,0,0,1,0,1|1,1,0]=4 2269 B14R2.31918 O=C(CC1CCC1)Nc2nccs2 WXVL_AF0003SB2207 [0,0,0,1,0,1|1,1,0]=4 2270 B14R2.31918 O=C(CC1CCC1)Nc2nnco2 WXVL_AF0087SB2207 [0,0,0,1,0,1|2,0,0]=4 2271 B14R2.31918 O=C(CC1CCC1)Nc2nnco2 WXVL_AF0087SB2207 [0,0,0,1,0,1|2,0,0]=4 2272 B14R2.255 CC1CCN(C1)C(=O)c2ccco2 WXVL_AN0556SC0049 [0,1,0,1,0,0|1,0,0]=3 2273 B14R2.255 CC1CCN(C1)C(=O)c2ccco2 WXVL_AN0556SC0049 [0,1,0,1,0,0|1,0,0]=3 2274 B14R2.255 CC1CCN(C1)C(=O)c2cccs2 WXVL_AN0556SC0051 [0,1,0,1,0,0|1,1,0]=4 2275 B14R2.255 CC1CCN(C1)C(=O)c2cccs2 WXVL_AN0556SC0051 [0,1,0,1,0,0|1,1,0]=4 2276 B14R2.255 CC1CCN(C1)C(=O)c2ccno2 WXVL_AN0556SC0080 [0,1,0,1,0,0|2,0,0]=4 2277 B14R2.255 CC1CCN(C1)C(=O)c2ccno2 WXVL_AN0556SC0080 [0,1,0,1,0,0|2,0,0]=4 2278 B14R2.255 CC1CCN(C1)C(=O)c2cnco2 WXVL_AN0556SC0018 [0,1,0,1,0,0|2,0,0]=4 2279 B14R2.255 CC1CCN(C1)C(=O)c2cnco2 WXVL_AN0556SC0018 [0,1,0,1,0,0|2,0,0]=4 2280 B14R2.255 C[C@@H]1CCN(C1)C(=O)c2ccco2 WXVL_AN00488SC0049 [0,1,0,1,0,0|1,0,0]=3 2281 B14R2.255 C[C@@H]1CCN(C1)C(=O)c2ccco2 WXVL_AN00488SC0049 [0,1,0,1,0,0|1,0,0]=3 2282 B14R2.255 C[C@@H]1CCN(C1)C(=O)c2cccs2 WXVL_AN00488SC0051 [0,1,0,1,0,0|1,1,0]=4 2283 B14R2.255 C[C@@H]1CCN(C1)C(=O)c2cccs2 WXVL_AN00488SC0051 [0,1,0,1,0,0|1,1,0]=4 2284 B14R2.255 C[C@@H]1CCN(C1)C(=O)c2ccno2 WXVL_AN00488SC0080 [0,1,0,1,0,0|2,0,0]=4 2285 B14R2.255 C[C@@H]1CCN(C1)C(=O)c2ccno2 WXVL_AN00488SC0080 [0,1,0,1,0,0|2,0,0]=4 2286 B14R2.255 C[C@@H]1CCN(C1)C(=O)c2cnco2 WXVL_AN00488SC0018 [0,1,0,1,0,0|2,0,0]=4 2287 B14R2.255 C[C@@H]1CCN(C1)C(=O)c2cnco2 WXVL_AN00488SC0018 [0,1,0,1,0,0|2,0,0]=4 2288 B14R2.255 C[C@H]1CCN(C1)C(=O)c2ccco2 WXVL_AN00094SC0049 [0,1,0,1,0,0|1,0,0]=3 2289 B14R2.255 C[C@H]1CCN(C1)C(=O)c2ccco2 WXVL_AN00094SC0049 [0,1,0,1,0,0|1,0,0]=3 2290 B14R2.255 C[C@H]1CCN(C1)C(=O)c2cccs2 WXVL_AN00094SC0051 [0,1,0,1,0,0|1,1,0]=4 2291 B14R2.255 C[C@H]1CCN(C1)C(=O)c2cccs2 WXVL_AN00094SC0051 [0,1,0,1,0,0|1,1,0]=4 2292 B14R2.255 C[C@H]1CCN(C1)C(=O)c2ccno2 WXVL_AN00094SC0080 [0,1,0,1,0,0|2,0,0]=4 2293 B14R2.255 C[C@H]1CCN(C1)C(=O)c2ccno2 WXVL_AN00094SC0080 [0,1,0,1,0,0|2,0,0]=4 2294 B14R2.255 C[C@H]1CCN(C1)C(=O)c2cnco2 WXVL_AN00094SC0018 [0,1,0,1,0,0|2,0,0]=4 2295 B14R2.255 C[C@H]1CCN(C1)C(=O)c2cnco2 WXVL_AN00094SC0018 [0,1,0,1,0,0|2,0,0]=4 2296 B14R2.255 Cc1c[nH]c(c1)C(=O)N2CCCC2 WXVL_AN0008SC0830 [0,1,0,1,0,0|2,0,0]=4 2297 B14R2.255 Cc1c[nH]c(c1)C(=O)N2CCCC2 WXVL_AN0008SC0830 [0,1,0,1,0,0|2,0,0]=4 2298 B14R2.255 Cc1cc(on1)C(=O)N2CCCC2 WXVL_AN0008SC0089 [0,1,0,1,0,0|2,0,0]=4 2299 B14R2.255 Cc1cc(on1)C(=O)N2CCCC2 WXVL_AN0008SC0089 [0,1,0,1,0,0|2,0,0]=4 2300 B14R2.255 Cc1ccc(o1)C(=O)N2CCCC2 WXVL_AN0008SC0005 [0,1,0,1,0,0|1,0,0]=3 2301 B14R2.255 Cc1ccc(o1)C(=O)N2CCCC2 WXVL_AN0008SC0005 [0,1,0,1,0,0|1,0,0]=3 2302 B14R2.255 Cc1ccc(s1)C(=O)N2CCCC2 WXVL_AN0008SC0053 [0,1,0,1,0,0|1,1,0]=4 2303 B14R2.255 Cc1ccc(s1)C(=O)N2CCCC2 WXVL_AN0008SC0053 [0,1,0,1,0,0|1,1,0]=4 2304 B14R2.255 Cc1csc(c1)C(=O)N2CCCC2 WXVL_AN0008SC0004 [0,1,0,1,0,0|1,1,0]=4 2305 B14R2.255 Cc1csc(c1)C(=O)N2CCCC2 WXVL_AN0008SC0004 [0,1,0,1,0,0|1,1,0]=4 2306 B14R2.255 O=C(c1cc(c[nH]1)Br)N2CCCC2 WXVL_AN0008SC0644 [0,1,0,1,0,0|2,0,0]=4 2307 B14R2.255 O=C(c1cc(c[nH]1)Br)N2CCCC2 WXVL_AN0008SC0644 [0,1,0,1,0,0|2,0,0]=4 2308 B14R2.255 O=C(c1cc(c[nH]1)F)N2CCCC2 WXVL_AN0008SC0334 [0,1,0,1,0,0|2,0,0]=4 2309 B14R2.255 O=C(c1cc(c[nH]1)F)N2CCCC2 WXVL_AN0008SC0334 [0,1,0,1,0,0|2,0,0]=4 2310 B14R2.255 O=C(c1cc(cs1)Br)N2CCCC2 WXVL_AN0008SC0188 [0,1,0,1,0,0|1,1,0]=4 2311 B14R2.255 O=C(c1cc(cs1)Br)N2CCCC2 WXVL_AN0008SC0188 [0,1,0,1,0,0|1,1,0]=4 2312 B14R2.255 O=C(c1cc(no1)O)N2CCCC2 WXVL_AN0008SC0522 [0,1,0,1,0,0|2,0,0]=4 2313 B14R2.255 O=C(c1cc(no1)O)N2CCCC2 WXVL_AN0008SC0522 [0,1,0,1,0,0|2,0,0]=4 2314 B14R2.255 O=C(c1ccc(o1)Cl)N2CCCC2 WXVL_AN0008SC0926 [0,1,0,1,0,0|1,0,0]=3 2315 B14R2.255 O=C(c1ccc(o1)Cl)N2CCCC2 WXVL_AN0008SC0926 [0,1,0,1,0,0|1,0,0]=3 2316 B14R2.255 O=C(c1ccc(s1)Br)N2CCCC2 WXVL_AN0008SC0359 [0,1,0,1,0,0|1,1,0]=4 2317 B14R2.255 O=C(c1ccc(s1)Br)N2CCCC2 WXVL_AN0008SC0359 [0,1,0,1,0,0|1,1,0]=4 2318 B14R2.255 O=C(c1ccc(s1)Cl)N2CCCC2 WXVL_AN0008SC0067 [0,1,0,1,0,0|1,1,0]=4 2319 B14R2.255 O=C(c1ccc(s1)Cl)N2CCCC2 WXVL_AN0008SC0067 [0,1,0,1,0,0|1,1,0]=4 2320 B14R2.255 O=C(c1ccco1)N2CCC(C2)Br WXVL_AN00715SC0049 [0,1,0,1,0,0|1,0,0]=3 2321 B14R2.255 O=C(c1ccco1)N2CCC(C2)F WXVL_AN00338SC0049 [0,1,0,1,0,0|1,0,0]=3 2322 B14R2.255 O=C(c1ccco1)N2CCC(C2)F WXVL_AN00338SC0049 [0,1,0,1,0,0|1,0,0]=3 2323 B14R2.255 O=C(c1ccco1)N2CCC(C2)O WXVL_AN0158SC0049 [0,1,0,1,0,0|1,0,0]=3 2324 B14R2.255 O=C(c1ccco1)N2CCC(C2)O WXVL_AN0158SC0049 [0,1,0,1,0,0|1,0,0]=3 2325 B14R2.255 O=C(c1ccco1)N2CC[C@@H](C2)O WXVL_AN00391SC0049 [0,1,0,1,0,0|1,0,0]=3 2326 B14R2.255 O=C(c1ccco1)N2CC[C@@H](C2)O WXVL_AN00391SC0049 [0,1,0,1,0,0|1,0,0]=3 2327 B14R2.255 O=C(c1ccco1)N2CC[C@H](C2)F WXVL_AN00035SC0049 [0,1,0,1,0,0|1,0,0]=3 2328 B14R2.255 O=C(c1ccco1)N2CC[C@H](C2)F WXVL_AN00035SC0049 [0,1,0,1,0,0|1,0,0]=3 2329 B14R2.255 O=C(c1ccco1)N2CC[C@H](C2)O WXVL_AN00543SC0049 [0,1,0,1,0,0|1,0,0]=3 2330 B14R2.255 O=C(c1cccs1)N2CCC(C2)Br WXVL_AN00715SC0051 [0,1,0,1,0,0|1,1,0]=4 2331 B14R2.255 O=C(c1cccs1)N2CCC(C2)F WXVL_AN00338SC0051 [0,1,0,1,0,0|1,1,0]=4 2332 B14R2.255 O=C(c1cccs1)N2CCC(C2)F WXVL_AN00338SC0051 [0,1,0,1,0,0|1,1,0]=4 2333 B14R2.255 O=C(c1cccs1)N2CCC(C2)O WXVL_AN0158SC0051 [0,1,0,1,0,0|1,1,0]=4 2334 B14R2.255 O=C(c1cccs1)N2CCC(C2)O WXVL_AN0158SC0051 [0,1,0,1,0,0|1,1,0]=4 2335 B14R2.255 O=C(c1cccs1)N2CC[C@@H](C2)O WXVL_AN00391SC0051 [0,1,0,1,0,0|1,1,0]=4 2336 B14R2.255 O=C(c1cccs1)N2CC[C@@H](C2)O WXVL_AN00391SC0051 [0,1,0,1,0,0|1,1,0]=4 2337 B14R2.255 O=C(c1cccs1)N2CC[C@H](C2)F WXVL_AN00035SC0051 [0,1,0,1,0,0|1,1,0]=4 2338 B14R2.255 O=C(c1cccs1)N2CC[C@H](C2)F WXVL_AN00035SC0051 [0,1,0,1,0,0|1,1,0]=4 2339 B14R2.255 O=C(c1cccs1)N2CC[C@H](C2)O WXVL_AN00543SC0051 [0,1,0,1,0,0|1,1,0]=4 2340 B14R2.255 O=C(c1ccno1)N2CCC(C2)Br WXVL_AN00715SC0080 [0,1,0,1,0,0|2,0,0]=4 2341 B14R2.255 O=C(c1ccno1)N2CCC(C2)F WXVL_AN00338SC0080 [0,1,0,1,0,0|2,0,0]=4 2342 B14R2.255 O=C(c1ccno1)N2CCC(C2)F WXVL_AN00338SC0080 [0,1,0,1,0,0|2,0,0]=4 2343 B14R2.255 O=C(c1ccno1)N2CCC(C2)O WXVL_AN0158SC0080 [0,1,0,1,0,0|2,0,0]=4 2344 B14R2.255 O=C(c1ccno1)N2CCC(C2)O WXVL_AN0158SC0080 [0,1,0,1,0,0|2,0,0]=4 2345 B14R2.255 O=C(c1ccno1)N2CC[C@@H](C2)O WXVL_AN00391SC0080 [0,1,0,1,0,0|2,0,0]=4 2346 B14R2.255 O=C(c1ccno1)N2CC[C@@H](C2)O WXVL_AN00391SC0080 [0,1,0,1,0,0|2,0,0]=4 2347 B14R2.255 O=C(c1ccno1)N2CC[C@H](C2)F WXVL_AN00035SC0080 [0,1,0,1,0,0|2,0,0]=4 2348 B14R2.255 O=C(c1ccno1)N2CC[C@H](C2)F WXVL_AN00035SC0080 [0,1,0,1,0,0|2,0,0]=4 2349 B14R2.255 O=C(c1ccno1)N2CC[C@H](C2)O WXVL_AN00543SC0080 [0,1,0,1,0,0|2,0,0]=4 2350 B14R2.255 O=C(c1cnc(o1)Br)N2CCCC2 WXVL_AN0008SC0815 [0,1,0,1,0,0|2,0,0]=4 2351 B14R2.255 O=C(c1cnc(o1)Br)N2CCCC2 WXVL_AN0008SC0815 [0,1,0,1,0,0|2,0,0]=4 2352 B14R2.255 O=C(c1cnco1)N2CCC(C2)Br WXVL_AN00715SC0018 [0,1,0,1,0,0|2,0,0]=4 2353 B14R2.255 O=C(c1cnco1)N2CCC(C2)F WXVL_AN00338SC0018 [0,1,0,1,0,0|2,0,0]=4 2354 B14R2.255 O=C(c1cnco1)N2CCC(C2)F WXVL_AN00338SC0018 [0,1,0,1,0,0|2,0,0]=4 2355 B14R2.255 O=C(c1cnco1)N2CCC(C2)O WXVL_AN0158SC0018 [0,1,0,1,0,0|2,0,0]=4 2356 B14R2.255 O=C(c1cnco1)N2CCC(C2)O WXVL_AN0158SC0018 [0,1,0,1,0,0|2,0,0]=4 2357 B14R2.255 O=C(c1cnco1)N2CC[C@@H](C2)O WXVL_AN00391SC0018 [0,1,0,1,0,0|2,0,0]=4 2358 B14R2.255 O=C(c1cnco1)N2CC[C@@H](C2)O WXVL_AN00391SC0018 [0,1,0,1,0,0|2,0,0]=4 2359 B14R2.255 O=C(c1cnco1)N2CC[C@H](C2)F WXVL_AN00035SC0018 [0,1,0,1,0,0|2,0,0]=4 2360 B14R2.255 O=C(c1cnco1)N2CC[C@H](C2)F WXVL_AN00035SC0018 [0,1,0,1,0,0|2,0,0]=4 2361 B14R2.255 O=C(c1cnco1)N2CC[C@H](C2)O WXVL_AN00543SC0018 [0,1,0,1,0,0|2,0,0]=4 2362 B14R2.20661 Cc1ccc(o1)C(=O)NC2CNC2 WXVL_AK1291SC0005 [0,1,0,1,0,0|2,0,0]=4 2363 B14R2.20661 Cc1ccc(o1)C(=O)NC2CNC2 WXVL_AK1291SC0005 [0,1,0,1,0,0|2,0,0]=4 2364 B14R2.20661 Cc1ccc(o1)C(=O)NC2CSC2 WXVL_AK2089SC0005 [0,1,0,1,0,0|2,0,0]=4 2365 B14R2.20661 Cc1ccc(o1)C(=O)NC2CSC2 WXVL_AK2089SC0005 [0,1,0,1,0,0|2,0,0]=4 2366 B14R2.20661 O=C(NC1CNC1)c2ccc(o2)Cl WXVL_AK1291SC0926 [0,1,0,1,0,0|2,0,0]=4 2367 B14R2.20661 O=C(NC1CNC1)c2ccc(o2)Cl WXVL_AK1291SC0926 [0,1,0,1,0,0|2,0,0]=4 2368 B14R2.20661 O=C(NC1CSC1)c2ccc(o2)Cl WXVL_AK2089SC0926 [0,1,0,1,0,0|2,0,0]=4 2369 B14R2.20661 O=C(NC1CSC1)c2ccc(o2)Cl WXVL_AK2089SC0926 [0,1,0,1,0,0|2,0,0]=4 2370 B14R2.308 C[C@@H]1CCCN1C(=O)c2c[nH]cn2 WXVL_AN00593SC0074 [0,1,0,1,0,0|2,0,0]=4 2371 B14R2.308 C[C@@H]1CCCN1C(=O)c2cc[nH]c2 WXVL_AN00593SC0013 [0,1,0,1,0,0|2,0,0]=4 2372 B14R2.308 C[C@@H]1CCCN1C(=O)c2cc[nH]n2 WXVL_AN00593SC0003 [0,1,0,1,0,0|2,0,0]=4 2373 B14R2.308 C[C@@H]1CCCN1C(=O)c2ccco2 WXVL_AN00593SC0049 [0,1,0,1,0,0|0,0,0]=2 2374 B14R2.308 C[C@@H]1CCCN1C(=O)c2cccs2 WXVL_AN00593SC0051 [0,1,0,1,0,0|0,1,0]=3 2375 B14R2.308 C[C@@H]1CCCN1C(=O)c2ccno2 WXVL_AN00593SC0080 [0,1,0,1,0,0|1,0,0]=3 2376 B14R2.308 C[C@@H]1CCCN1C(=O)c2ccns2 WXVL_AN00593SC0027 [0,1,0,1,0,0|1,1,0]=4 2377 B14R2.308 C[C@@H]1CCCN1C(=O)c2ccoc2 WXVL_AN00593SC0050 [0,1,0,1,0,0|2,0,0]=4 2378 B14R2.308 C[C@@H]1CCCN1C(=O)c2ccon2 WXVL_AN00593SC0116 [0,1,0,1,0,0|2,0,0]=4 2379 B14R2.308 C[C@@H]1CCCN1C(=O)c2ccsc2 WXVL_AN00593SC0054 [0,1,0,1,0,0|2,0,0]=4 2380 B14R2.308 C[C@@H]1CCCN1C(=O)c2ccsn2 WXVL_AN00593SC0764 [0,1,0,1,0,0|2,0,0]=4 2381 B14R2.308 C[C@@H]1CCCN1C(=O)c2cnc[nH]2 WXVL_AN00593SC0247 [0,1,0,1,0,0|2,0,0]=4 2382 B14R2.308 C[C@@H]1CCCN1C(=O)c2cnco2 WXVL_AN00593SC0018 [0,1,0,1,0,0|1,0,0]=3 2383 B14R2.308 C[C@@H]1CCCN1C(=O)c2cncs2 WXVL_AN00593SC0113 [0,1,0,1,0,0|1,1,0]=4 2384 B14R2.308 C[C@@H]1CCCN1C(=O)c2cocn2 WXVL_AN00593SC0118 [0,1,0,1,0,0|2,0,0]=4 2385 B14R2.308 C[C@@H]1CCCN1C(=O)c2cscn2 WXVL_AN00593SC0092 [0,1,0,1,0,0|2,0,0]=4 2386 B14R2.308 C[C@@H]1CCCN1C(=O)c2nccs2 WXVL_AN00593SC0110 [0,1,0,1,0,0|1,1,0]=4 2387 B14R2.308 Cc1cc[nH]c1C(=O)N2CCCC2 WXVL_AN0008SC1315 [0,1,0,1,0,0|2,0,0]=4 2388 B14R2.308 Cc1cc[nH]c1C(=O)N2CCCC2 WXVL_AN0008SC1315 [0,1,0,1,0,0|2,0,0]=4 2389 B14R2.308 Cc1ccoc1C(=O)N2CCCC2 WXVL_AN0008SC0230 [0,1,0,1,0,0|1,0,0]=3 2390 B14R2.308 Cc1ccoc1C(=O)N2CCCC2 WXVL_AN0008SC0230 [0,1,0,1,0,0|1,0,0]=3 2391 B14R2.308 Cc1ccsc1C(=O)N2CCCC2 WXVL_AN0008SC0052 [0,1,0,1,0,0|1,1,0]=4 2392 B14R2.308 Cc1ccsc1C(=O)N2CCCC2 WXVL_AN0008SC0052 [0,1,0,1,0,0|1,1,0]=4 2393 B14R2.308 Cc1cnoc1C(=O)N2CCCC2 WXVL_AN0008SC0912 [0,1,0,1,0,0|2,0,0]=4 2394 B14R2.308 Cc1cnoc1C(=O)N2CCCC2 WXVL_AN0008SC0912 [0,1,0,1,0,0|2,0,0]=4 2395 B14R2.308 Cc1ncoc1C(=O)N2CCCC2 WXVL_AN0008SC0103 [0,1,0,1,0,0|2,0,0]=4 2396 B14R2.308 Cc1ncoc1C(=O)N2CCCC2 WXVL_AN0008SC0103 [0,1,0,1,0,0|2,0,0]=4 2397 B14R2.308 O=C(c1occc1Br)N2CCCC2 WXVL_AN0008SC0241 [0,1,0,1,0,0|1,0,0]=3 2398 B14R2.308 O=C(c1occc1Br)N2CCCC2 WXVL_AN0008SC0241 [0,1,0,1,0,0|1,0,0]=3 2399 B14R2.308 O=C(c1sccc1Br)N2CCCC2 WXVL_AN0008SC0364 [0,1,0,1,0,0|1,1,0]=4 2400 B14R2.308 O=C(c1sccc1Br)N2CCCC2 WXVL_AN0008SC0364 [0,1,0,1,0,0|1,1,0]=4 2401 B14R2.308 O=C(c1sccc1Cl)N2CCCC2 WXVL_AN0008SC0756 [0,1,0,1,0,0|1,1,0]=4 2402 B14R2.308 O=C(c1sccc1Cl)N2CCCC2 WXVL_AN0008SC0756 [0,1,0,1,0,0|1,1,0]=4 2403 B14R2.308 O=C(c1sccc1F)N2CCCC2 WXVL_AN0008SC0017 [0,1,0,1,0,0|1,1,0]=4 2404 B14R2.308 O=C(c1sccc1F)N2CCCC2 WXVL_AN0008SC0017 [0,1,0,1,0,0|1,1,0]=4 2405 B14R2.308 O=C(c1sccc1I)N2CCCC2 WXVL_AN0008SC1579 [0,1,0,1,0,0|1,1,0]=4 2406 B14R2.308 O=C(c1sccc1I)N2CCCC2 WXVL_AN0008SC1579 [0,1,0,1,0,0|1,1,0]=4 2407 B14R2.437 CC1CC(C1)NC(=O)c2ccco2 WXVL_AK0309SC0049 [0,1,0,1,0,0|1,0,0]=3 2408 B14R2.437 CC1CC(C1)NC(=O)c2ccco2 WXVL_AK0309SC0049 [0,1,0,1,0,0|1,0,0]=3 2409 B14R2.437 CC1CC(C1)NC(=O)c2cccs2 WXVL_AK0309SC0051 [0,1,0,1,0,0|1,1,0]=4 2410 B14R2.437 CC1CC(C1)NC(=O)c2cccs2 WXVL_AK0309SC0051 [0,1,0,1,0,0|1,1,0]=4 2411 B14R2.437 CC1CC(C1)NC(=O)c2ccno2 WXVL_AK0309SC0080 [0,1,0,1,0,0|2,0,0]=4 2412 B14R2.437 CC1CC(C1)NC(=O)c2ccno2 WXVL_AK0309SC0080 [0,1,0,1,0,0|2,0,0]=4 2413 B14R2.437 CC1CC(C1)NC(=O)c2cnco2 WXVL_AK0309SC0018 [0,1,0,1,0,0|2,0,0]=4 2414 B14R2.437 CC1CC(C1)NC(=O)c2cnco2 WXVL_AK0309SC0018 [0,1,0,1,0,0|2,0,0]=4 2415 B14R2.437 CN1CC(C1)NC(=O)c2ccco2 WXVL_AK1377SC0049 [0,1,0,1,0,0|2,0,0]=4 2416 B14R2.437 CN1CC(C1)NC(=O)c2ccco2 WXVL_AK1377SC0049 [0,1,0,1,0,0|2,0,0]=4 2417 B14R2.437 O=C(NC1CC(C1)F)c2ccco2 WXVL_AK0307SC0049 [0,1,0,1,0,0|1,0,0]=3 2418 B14R2.437 O=C(NC1CC(C1)F)c2ccco2 WXVL_AK0307SC0049 [0,1,0,1,0,0|1,0,0]=3 2419 B14R2.437 O=C(NC1CC(C1)F)c2cccs2 WXVL_AK0307SC0051 [0,1,0,1,0,0|1,1,0]=4 2420 B14R2.437 O=C(NC1CC(C1)F)c2cccs2 WXVL_AK0307SC0051 [0,1,0,1,0,0|1,1,0]=4 2421 B14R2.437 O=C(NC1CC(C1)F)c2ccno2 WXVL_AK0307SC0080 [0,1,0,1,0,0|2,0,0]=4 2422 B14R2.437 O=C(NC1CC(C1)F)c2ccno2 WXVL_AK0307SC0080 [0,1,0,1,0,0|2,0,0]=4 2423 B14R2.437 O=C(NC1CC(C1)F)c2cnco2 WXVL_AK0307SC0018 [0,1,0,1,0,0|2,0,0]=4 2424 B14R2.437 O=C(NC1CC(C1)F)c2cnco2 WXVL_AK0307SC0018 [0,1,0,1,0,0|2,0,0]=4 2425 B14R2.437 O=C(NC1CC(C1)O)c2ccco2 WXVL_AK0306SC0049 [0,1,0,1,0,0|1,0,0]=3 2426 B14R2.437 O=C(NC1CC(C1)O)c2ccco2 WXVL_AK0306SC0049 [0,1,0,1,0,0|1,0,0]=3 2427 B14R2.437 O=C(NC1CC(C1)O)c2cccs2 WXVL_AK0306SC0051 [0,1,0,1,0,0|1,1,0]=4 2428 B14R2.437 O=C(NC1CC(C1)O)c2cccs2 WXVL_AK0306SC0051 [0,1,0,1,0,0|1,1,0]=4 2429 B14R2.437 O=C(NC1CC(C1)O)c2ccno2 WXVL_AK0306SC0080 [0,1,0,1,0,0|2,0,0]=4 2430 B14R2.437 O=C(NC1CC(C1)O)c2ccno2 WXVL_AK0306SC0080 [0,1,0,1,0,0|2,0,0]=4 2431 B14R2.437 O=C(NC1CC(C1)O)c2cnco2 WXVL_AK0306SC0018 [0,1,0,1,0,0|2,0,0]=4 2432 B14R2.437 O=C(NC1CC(C1)O)c2cnco2 WXVL_AK0306SC0018 [0,1,0,1,0,0|2,0,0]=4 2433 B14R2.437 O=C(N[C@H]1C[C@H](C1)O)c2ccco2 WXVL_AK1397SC0049 [0,1,0,1,0,0|1,0,0]=3 2434 B14R2.437 O=C(N[C@H]1C[C@H](C1)O)c2ccco2 WXVL_AK1397SC0049 [0,1,0,1,0,0|1,0,0]=3 2435 B14R2.437 O=C(N[C@H]1C[C@H](C1)O)c2cccs2 WXVL_AK1397SC0051 [0,1,0,1,0,0|1,1,0]=4 2436 B14R2.437 O=C(N[C@H]1C[C@H](C1)O)c2cccs2 WXVL_AK1397SC0051 [0,1,0,1,0,0|1,1,0]=4 2437 B14R2.437 O=C(N[C@H]1C[C@H](C1)O)c2ccno2 WXVL_AK1397SC0080 [0,1,0,1,0,0|2,0,0]=4 2438 B14R2.437 O=C(N[C@H]1C[C@H](C1)O)c2ccno2 WXVL_AK1397SC0080 [0,1,0,1,0,0|2,0,0]=4 2439 B14R2.437 O=C(N[C@H]1C[C@H](C1)O)c2cnco2 WXVL_AK1397SC0018 [0,1,0,1,0,0|2,0,0]=4 2440 B14R2.437 O=C(N[C@H]1C[C@H](C1)O)c2cnco2 WXVL_AK1397SC0018 [0,1,0,1,0,0|2,0,0]=4 2441 B14R2.15286 CC(NC(=O)c1ccco1)C2CC2 WXVL_AK00200SC0049 [0,1,0,1,0,0|1,0,0]=3 2442 B14R2.15286 CC(NC(=O)c1ccco1)C2CC2 WXVL_AK00200SC0049 [0,1,0,1,0,0|1,0,0]=3 2443 B14R2.15286 CC(NC(=O)c1cccs1)C2CC2 WXVL_AK00200SC0051 [0,1,0,1,0,0|1,1,0]=4 2444 B14R2.15286 CC(NC(=O)c1cccs1)C2CC2 WXVL_AK00200SC0051 [0,1,0,1,0,0|1,1,0]=4 2445 B14R2.15286 CC(NC(=O)c1ccno1)C2CC2 WXVL_AK00200SC0080 [0,1,0,1,0,0|2,0,0]=4 2446 B14R2.15286 CC(NC(=O)c1ccno1)C2CC2 WXVL_AK00200SC0080 [0,1,0,1,0,0|2,0,0]=4 2447 B14R2.15286 CC(NC(=O)c1cnco1)C2CC2 WXVL_AK00200SC0018 [0,1,0,1,0,0|2,0,0]=4 2448 B14R2.15286 CC(NC(=O)c1cnco1)C2CC2 WXVL_AK00200SC0018 [0,1,0,1,0,0|2,0,0]=4 2449 B14R2.15286 C[C@H](NC(=O)c1ccco1)C2CC2 WXVL_AK0484SC0049 [0,1,0,1,0,0|1,0,0]=3 2450 B14R2.15286 C[C@H](NC(=O)c1ccco1)C2CC2 WXVL_AK0484SC0049 [0,1,0,1,0,0|1,0,0]=3 2451 B14R2.15286 C[C@H](NC(=O)c1cccs1)C2CC2 WXVL_AK0484SC0051 [0,1,0,1,0,0|1,1,0]=4 2452 B14R2.15286 C[C@H](NC(=O)c1cccs1)C2CC2 WXVL_AK0484SC0051 [0,1,0,1,0,0|1,1,0]=4 2453 B14R2.15286 C[C@H](NC(=O)c1ccno1)C2CC2 WXVL_AK0484SC0080 [0,1,0,1,0,0|2,0,0]=4 2454 B14R2.15286 C[C@H](NC(=O)c1ccno1)C2CC2 WXVL_AK0484SC0080 [0,1,0,1,0,0|2,0,0]=4 2455 B14R2.15286 C[C@H](NC(=O)c1cnco1)C2CC2 WXVL_AK0484SC0018 [0,1,0,1,0,0|2,0,0]=4 2456 B14R2.15286 C[C@H](NC(=O)c1cnco1)C2CC2 WXVL_AK0484SC0018 [0,1,0,1,0,0|2,0,0]=4 2457 B14R2.1205 O=C(c1ccco1)N2CC[C@@H]2CO WXVL_AN00694SC0049 [0,1,0,1,0,0|1,0,0]=3 2458 B14R2.1205 O=C(c1ccco1)N2CC[C@H]2CO WXVL_AN3414SC0049 [0,1,0,1,0,0|1,0,0]=3 2459 B14R2.1205 O=C(c1ccco1)N2CC[C@H]2CO WXVL_AN3414SC0049 [0,1,0,1,0,0|1,0,0]=3 2460 B14R2.1205 O=C(c1cccs1)N2CC[C@@H]2CO WXVL_AN00694SC0051 [0,1,0,1,0,0|1,1,0]=4 2461 B14R2.1205 O=C(c1cccs1)N2CC[C@H]2CO WXVL_AN3414SC0051 [0,1,0,1,0,0|1,1,0]=4 2462 B14R2.1205 O=C(c1cccs1)N2CC[C@H]2CO WXVL_AN3414SC0051 [0,1,0,1,0,0|1,1,0]=4 2463 B14R2.1205 O=C(c1ccno1)N2CC[C@@H]2CO WXVL_AN00694SC0080 [0,1,0,1,0,0|2,0,0]=4 2464 B14R2.1205 O=C(c1ccno1)N2CC[C@H]2CO WXVL_AN3414SC0080 [0,1,0,1,0,0|2,0,0]=4 2465 B14R2.1205 O=C(c1ccno1)N2CC[C@H]2CO WXVL_AN3414SC0080 [0,1,0,1,0,0|2,0,0]=4 2466 B14R2.1205 O=C(c1cnco1)N2CC[C@@H]2CO WXVL_AN00694SC0018 [0,1,0,1,0,0|2,0,0]=4 2467 B14R2.1205 O=C(c1cnco1)N2CC[C@H]2CO WXVL_AN3414SC0018 [0,1,0,1,0,0|2,0,0]=4 2468 B14R2.1205 O=C(c1cnco1)N2CC[C@H]2CO WXVL_AN3414SC0018 [0,1,0,1,0,0|2,0,0]=4 2469 B14R2.4253 O=C(NCCC1CC1)c2c[nH]cn2 WXVL_AK00594SC0074 [0,1,0,1,0,0|2,0,0]=4 2470 B14R2.4253 O=C(NCCC1CC1)c2c[nH]cn2 WXVL_AK00594SC0074 [0,1,0,1,0,0|2,0,0]=4 2471 B14R2.4253 O=C(NCCC1CC1)c2cc[nH]c2 WXVL_AK00594SC0013 [0,1,0,1,0,0|2,0,0]=4 2472 B14R2.4253 O=C(NCCC1CC1)c2cc[nH]c2 WXVL_AK00594SC0013 [0,1,0,1,0,0|2,0,0]=4 2473 B14R2.4253 O=C(NCCC1CC1)c2cc[nH]n2 WXVL_AK00594SC0003 [0,1,0,1,0,0|2,0,0]=4 2474 B14R2.4253 O=C(NCCC1CC1)c2cc[nH]n2 WXVL_AK00594SC0003 [0,1,0,1,0,0|2,0,0]=4 2475 B14R2.4253 O=C(NCCC1CC1)c2ccco2 WXVL_AK00594SC0049 [0,1,0,1,0,0|0,0,0]=2 2476 B14R2.4253 O=C(NCCC1CC1)c2ccco2 WXVL_AK00594SC0049 [0,1,0,1,0,0|0,0,0]=2 2477 B14R2.4253 O=C(NCCC1CC1)c2cccs2 WXVL_AK00594SC0051 [0,1,0,1,0,0|0,1,0]=3 2478 B14R2.4253 O=C(NCCC1CC1)c2cccs2 WXVL_AK00594SC0051 [0,1,0,1,0,0|0,1,0]=3 2479 B14R2.4253 O=C(NCCC1CC1)c2ccno2 WXVL_AK00594SC0080 [0,1,0,1,0,0|1,0,0]=3 2480 B14R2.4253 O=C(NCCC1CC1)c2ccno2 WXVL_AK00594SC0080 [0,1,0,1,0,0|1,0,0]=3 2481 B14R2.4253 O=C(NCCC1CC1)c2ccns2 WXVL_AK00594SC0027 [0,1,0,1,0,0|1,1,0]=4 2482 B14R2.4253 O=C(NCCC1CC1)c2ccns2 WXVL_AK00594SC0027 [0,1,0,1,0,0|1,1,0]=4 2483 B14R2.4253 O=C(NCCC1CC1)c2ccoc2 WXVL_AK00594SC0050 [0,1,0,1,0,0|2,0,0]=4 2484 B14R2.4253 O=C(NCCC1CC1)c2ccoc2 WXVL_AK00594SC0050 [0,1,0,1,0,0|2,0,0]=4 2485 B14R2.4253 O=C(NCCC1CC1)c2ccon2 WXVL_AK00594SC0116 [0,1,0,1,0,0|2,0,0]=4 2486 B14R2.4253 O=C(NCCC1CC1)c2ccon2 WXVL_AK00594SC0116 [0,1,0,1,0,0|2,0,0]=4 2487 B14R2.4253 O=C(NCCC1CC1)c2ccsc2 WXVL_AK00594SC0054 [0,1,0,1,0,0|2,0,0]=4 2488 B14R2.4253 O=C(NCCC1CC1)c2ccsc2 WXVL_AK00594SC0054 [0,1,0,1,0,0|2,0,0]=4 2489 B14R2.4253 O=C(NCCC1CC1)c2ccsn2 WXVL_AK00594SC0764 [0,1,0,1,0,0|2,0,0]=4 2490 B14R2.4253 O=C(NCCC1CC1)c2ccsn2 WXVL_AK00594SC0764 [0,1,0,1,0,0|2,0,0]=4 2491 B14R2.4253 O=C(NCCC1CC1)c2cnc[nH]2 WXVL_AK00594SC0247 [0,1,0,1,0,0|2,0,0]=4 2492 B14R2.4253 O=C(NCCC1CC1)c2cnc[nH]2 WXVL_AK00594SC0247 [0,1,0,1,0,0|2,0,0]=4 2493 B14R2.4253 O=C(NCCC1CC1)c2cnco2 WXVL_AK00594SC0018 [0,1,0,1,0,0|1,0,0]=3 2494 B14R2.4253 O=C(NCCC1CC1)c2cnco2 WXVL_AK00594SC0018 [0,1,0,1,0,0|1,0,0]=3 2495 B14R2.4253 O=C(NCCC1CC1)c2cncs2 WXVL_AK00594SC0113 [0,1,0,1,0,0|1,1,0]=4 2496 B14R2.4253 O=C(NCCC1CC1)c2cncs2 WXVL_AK00594SC0113 [0,1,0,1,0,0|1,1,0]=4 2497 B14R2.4253 O=C(NCCC1CC1)c2cocn2 WXVL_AK00594SC0118 [0,1,0,1,0,0|2,0,0]=4 2498 B14R2.4253 O=C(NCCC1CC1)c2cocn2 WXVL_AK00594SC0118 [0,1,0,1,0,0|2,0,0]=4 2499 B14R2.4253 O=C(NCCC1CC1)c2cscn2 WXVL_AK00594SC0092 [0,1,0,1,0,0|2,0,0]=4 2500 B14R2.4253 O=C(NCCC1CC1)c2cscn2 WXVL_AK00594SC0092 [0,1,0,1,0,0|2,0,0]=4 2501 B14R2.4253 O=C(NCCC1CC1)c2nccs2 WXVL_AK00594SC0110 [0,1,0,1,0,0|1,1,0]=4 2502 B14R2.4253 O=C(NCCC1CC1)c2nccs2 WXVL_AK00594SC0110 [0,1,0,1,0,0|1,1,0]=4 2503 B14R2.4254 O=C(NCC1CCC1)c2c[nH]cn2 WXVL_AK00492SC0074 [0,1,0,1,0,0|2,0,0]=4 2504 B14R2.4254 O=C(NCC1CCC1)c2c[nH]cn2 WXVL_AK00492SC0074 [0,1,0,1,0,0|2,0,0]=4 2505 B14R2.4254 O=C(NCC1CCC1)c2cc[nH]c2 WXVL_AK00492SC0013 [0,1,0,1,0,0|2,0,0]=4 2506 B14R2.4254 O=C(NCC1CCC1)c2cc[nH]c2 WXVL_AK00492SC0013 [0,1,0,1,0,0|2,0,0]=4 2507 B14R2.4254 O=C(NCC1CCC1)c2cc[nH]n2 WXVL_AK00492SC0003 [0,1,0,1,0,0|2,0,0]=4 2508 B14R2.4254 O=C(NCC1CCC1)c2cc[nH]n2 WXVL_AK00492SC0003 [0,1,0,1,0,0|2,0,0]=4 2509 B14R2.4254 O=C(NCC1CCC1)c2ccco2 WXVL_AK00492SC0049 [0,1,0,1,0,0|0,0,0]=2 2510 B14R2.4254 O=C(NCC1CCC1)c2ccco2 WXVL_AK00492SC0049 [0,1,0,1,0,0|0,0,0]=2 2511 B14R2.4254 O=C(NCC1CCC1)c2cccs2 WXVL_AK00492SC0051 [0,1,0,1,0,0|0,1,0]=3 2512 B14R2.4254 O=C(NCC1CCC1)c2cccs2 WXVL_AK00492SC0051 [0,1,0,1,0,0|0,1,0]=3 2513 B14R2.4254 O=C(NCC1CCC1)c2ccno2 WXVL_AK00492SC0080 [0,1,0,1,0,0|1,0,0]=3 2514 B14R2.4254 O=C(NCC1CCC1)c2ccno2 WXVL_AK00492SC0080 [0,1,0,1,0,0|1,0,0]=3 2515 B14R2.4254 O=C(NCC1CCC1)c2ccns2 WXVL_AK00492SC0027 [0,1,0,1,0,0|1,1,0]=4 2516 B14R2.4254 O=C(NCC1CCC1)c2ccns2 WXVL_AK00492SC0027 [0,1,0,1,0,0|1,1,0]=4 2517 B14R2.4254 O=C(NCC1CCC1)c2ccoc2 WXVL_AK00492SC0050 [0,1,0,1,0,0|2,0,0]=4 2518 B14R2.4254 O=C(NCC1CCC1)c2ccoc2 WXVL_AK00492SC0050 [0,1,0,1,0,0|2,0,0]=4 2519 B14R2.4254 O=C(NCC1CCC1)c2ccon2 WXVL_AK00492SC0116 [0,1,0,1,0,0|2,0,0]=4 2520 B14R2.4254 O=C(NCC1CCC1)c2ccon2 WXVL_AK00492SC0116 [0,1,0,1,0,0|2,0,0]=4 2521 B14R2.4254 O=C(NCC1CCC1)c2ccsc2 WXVL_AK00492SC0054 [0,1,0,1,0,0|2,0,0]=4 2522 B14R2.4254 O=C(NCC1CCC1)c2ccsc2 WXVL_AK00492SC0054 [0,1,0,1,0,0|2,0,0]=4 2523 B14R2.4254 O=C(NCC1CCC1)c2ccsn2 WXVL_AK00492SC0764 [0,1,0,1,0,0|2,0,0]=4 2524 B14R2.4254 O=C(NCC1CCC1)c2ccsn2 WXVL_AK00492SC0764 [0,1,0,1,0,0|2,0,0]=4 2525 B14R2.4254 O=C(NCC1CCC1)c2cnc[nH]2 WXVL_AK00492SC0247 [0,1,0,1,0,0|2,0,0]=4 2526 B14R2.4254 O=C(NCC1CCC1)c2cnc[nH]2 WXVL_AK00492SC0247 [0,1,0,1,0,0|2,0,0]=4 2527 B14R2.4254 O=C(NCC1CCC1)c2cnco2 WXVL_AK00492SC0018 [0,1,0,1,0,0|1,0,0]=3 2528 B14R2.4254 O=C(NCC1CCC1)c2cnco2 WXVL_AK00492SC0018 [0,1,0,1,0,0|1,0,0]=3 2529 B14R2.4254 O=C(NCC1CCC1)c2cncs2 WXVL_AK00492SC0113 [0,1,0,1,0,0|1,1,0]=4 2530 B14R2.4254 O=C(NCC1CCC1)c2cncs2 WXVL_AK00492SC0113 [0,1,0,1,0,0|1,1,0]=4 2531 B14R2.4254 O=C(NCC1CCC1)c2cocn2 WXVL_AK00492SC0118 [0,1,0,1,0,0|2,0,0]=4 2532 B14R2.4254 O=C(NCC1CCC1)c2cocn2 WXVL_AK00492SC0118 [0,1,0,1,0,0|2,0,0]=4 2533 B14R2.4254 O=C(NCC1CCC1)c2cscn2 WXVL_AK00492SC0092 [0,1,0,1,0,0|2,0,0]=4 2534 B14R2.4254 O=C(NCC1CCC1)c2cscn2 WXVL_AK00492SC0092 [0,1,0,1,0,0|2,0,0]=4 2535 B14R2.4254 O=C(NCC1CCC1)c2nccs2 WXVL_AK00492SC0110 [0,1,0,1,0,0|1,1,0]=4 2536 B14R2.4254 O=C(NCC1CCC1)c2nccs2 WXVL_AK00492SC0110 [0,1,0,1,0,0|1,1,0]=4 2537 B14R2.4254 O=C(NCC1CCO1)c2ccco2 WXVL_AK1433SC0049 [0,1,0,1,0,0|1,0,0]=3 2538 B14R2.4254 O=C(NCC1CCO1)c2ccco2 WXVL_AK1433SC0049 [0,1,0,1,0,0|1,0,0]=3 2539 B14R2.4254 O=C(NCC1CCO1)c2cccs2 WXVL_AK1433SC0051 [0,1,0,1,0,0|1,1,0]=4 2540 B14R2.4254 O=C(NCC1CCO1)c2cccs2 WXVL_AK1433SC0051 [0,1,0,1,0,0|1,1,0]=4 2541 B14R2.4254 O=C(NCC1CCO1)c2ccno2 WXVL_AK1433SC0080 [0,1,0,1,0,0|2,0,0]=4 2542 B14R2.4254 O=C(NCC1CCO1)c2ccno2 WXVL_AK1433SC0080 [0,1,0,1,0,0|2,0,0]=4 2543 B14R2.4254 O=C(NCC1CCO1)c2cnco2 WXVL_AK1433SC0018 [0,1,0,1,0,0|2,0,0]=4 2544 B14R2.4254 O=C(NCC1CCO1)c2cnco2 WXVL_AK1433SC0018 [0,1,0,1,0,0|2,0,0]=4 2545 B14R2.4254 O=C(NCC1COC1)c2ccco2 WXVL_AK0186SC0049 [0,1,0,1,0,0|1,0,0]=3 2546 B14R2.4254 O=C(NCC1COC1)c2ccco2 WXVL_AK0186SC0049 [0,1,0,1,0,0|1,0,0]=3 2547 B14R2.4254 O=C(NCC1COC1)c2cccs2 WXVL_AK0186SC0051 [0,1,0,1,0,0|1,1,0]=4 2548 B14R2.4254 O=C(NCC1COC1)c2cccs2 WXVL_AK0186SC0051 [0,1,0,1,0,0|1,1,0]=4 2549 B14R2.4254 O=C(NCC1COC1)c2ccno2 WXVL_AK0186SC0080 [0,1,0,1,0,0|2,0,0]=4 2550 B14R2.4254 O=C(NCC1COC1)c2ccno2 WXVL_AK0186SC0080 [0,1,0,1,0,0|2,0,0]=4 2551 B14R2.4254 O=C(NCC1COC1)c2cnco2 WXVL_AK0186SC0018 [0,1,0,1,0,0|2,0,0]=4 2552 B14R2.4254 O=C(NCC1COC1)c2cnco2 WXVL_AK0186SC0018 [0,1,0,1,0,0|2,0,0]=4 2553 B14R2.31919 CC1(CC1)CNC(=O)c2ccco2 WXVL_AK00811SC0049 [0,1,0,1,0,0|1,0,0]=3 2554 B14R2.31919 CC1(CC1)CNC(=O)c2ccco2 WXVL_AK00811SC0049 [0,1,0,1,0,0|1,0,0]=3 2555 B14R2.31919 CC1(CC1)CNC(=O)c2cccs2 WXVL_AK00811SC0051 [0,1,0,1,0,0|1,1,0]=4 2556 B14R2.31919 CC1(CC1)CNC(=O)c2cccs2 WXVL_AK00811SC0051 [0,1,0,1,0,0|1,1,0]=4 2557 B14R2.31919 CC1(CC1)CNC(=O)c2ccno2 WXVL_AK00811SC0080 [0,1,0,1,0,0|2,0,0]=4 2558 B14R2.31919 CC1(CC1)CNC(=O)c2ccno2 WXVL_AK00811SC0080 [0,1,0,1,0,0|2,0,0]=4 2559 B14R2.31919 CC1(CC1)CNC(=O)c2cnco2 WXVL_AK00811SC0018 [0,1,0,1,0,0|2,0,0]=4 2560 B14R2.31919 CC1(CC1)CNC(=O)c2cnco2 WXVL_AK00811SC0018 [0,1,0,1,0,0|2,0,0]=4 2561 B14R2.31919 O=C(NCC1(CC1)O)c2ccco2 WXVL_AK0301SC0049 [0,1,0,1,0,0|1,0,0]=3 2562 B14R2.31919 O=C(NCC1(CC1)O)c2ccco2 WXVL_AK0301SC0049 [0,1,0,1,0,0|1,0,0]=3 2563 B14R2.31919 O=C(NCC1(CC1)O)c2cccs2 WXVL_AK0301SC0051 [0,1,0,1,0,0|1,1,0]=4 2564 B14R2.31919 O=C(NCC1(CC1)O)c2cccs2 WXVL_AK0301SC0051 [0,1,0,1,0,0|1,1,0]=4 2565 B14R2.31919 O=C(NCC1(CC1)O)c2ccno2 WXVL_AK0301SC0080 [0,1,0,1,0,0|2,0,0]=4 2566 B14R2.31919 O=C(NCC1(CC1)O)c2ccno2 WXVL_AK0301SC0080 [0,1,0,1,0,0|2,0,0]=4 2567 B14R2.31919 O=C(NCC1(CC1)O)c2cnco2 WXVL_AK0301SC0018 [0,1,0,1,0,0|2,0,0]=4 2568 B14R2.31919 O=C(NCC1(CC1)O)c2cnco2 WXVL_AK0301SC0018 [0,1,0,1,0,0|2,0,0]=4 2569 B14R2.9586 O=C(NC1CC1)C(=O)c2ccco2 WXVL_AK0001SA0049 [0,1,0,1,0,0|1,0,1]=4 2570 B14R2.9586 O=C(NC1CC1)C(=O)c2ccco2 WXVL_AK0001SA0049 [0,1,0,1,0,0|1,0,1]=4 2571 B14R2.9587 O=C(NC1CC1(F)F)c2ccco2 WXVL_AK0397SC0049 [0,1,0,1,0,0|2,0,0]=4 2572 B14R2.9587 O=C(NC1CC1(F)F)c2ccco2 WXVL_AK0397SC0049 [0,1,0,1,0,0|2,0,0]=4 2573 B14R2.21853 Cc1ccoc1C(=O)NC2CNC2 WXVL_AK1291SC0230 [0,1,0,1,0,0|2,0,0]=4 2574 B14R2.21853 Cc1ccoc1C(=O)NC2CNC2 WXVL_AK1291SC0230 [0,1,0,1,0,0|2,0,0]=4 2575 B14R2.21853 Cc1ccoc1C(=O)NC2CSC2 WXVL_AK2089SC0230 [0,1,0,1,0,0|2,0,0]=4 2576 B14R2.21853 Cc1ccoc1C(=O)NC2CSC2 WXVL_AK2089SC0230 [0,1,0,1,0,0|2,0,0]=4 2577 B14R2.21853 O=C(NC1CNC1)c2occc2Br WXVL_AK1291SC0241 [0,1,0,1,0,0|2,0,0]=4 2578 B14R2.21853 O=C(NC1CNC1)c2occc2Br WXVL_AK1291SC0241 [0,1,0,1,0,0|2,0,0]=4 2579 B14R2.21853 O=C(NC1CSC1)c2occc2Br WXVL_AK2089SC0241 [0,1,0,1,0,0|2,0,0]=4 2580 B14R2.21853 O=C(NC1CSC1)c2occc2Br WXVL_AK2089SC0241 [0,1,0,1,0,0|2,0,0]=4 2581 B12R1.8 CCCCCNc1ccncn1 WXVL_AK0076LP3358 [1,0,0,0,0,1|2,0,0]=4 2582 B12R1.8 CCCCCNc1ccncn1 WXVL_AK0076LP3358 [1,0,0,0,0,1|2,0,0]=4 2583 B12R1.8 CCCCCNc1ncccn1 WXVL_AK0076LP0002 [1,0,0,0,0,1|2,0,0]=4 2584 B12R1.8 CCCCCNc1ncccn1 WXVL_AK0076LP0002 [1,0,0,0,0,1|2,0,0]=4 2585 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [1,0,0,0,0,1|2,0,0]=4 2586 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [1,0,0,0,0,1|2,0,0]=4 2587 B12R1.30 CCCNC(=O)c1ccccn1 WXVL_AK00504SC0058 [1,0,0,0,0,1|2,0,0]=4 2588 B12R1.30 CCCNC(=O)c1ccccn1 WXVL_AK00504SC0058 [1,0,0,0,0,1|2,0,0]=4 2589 B12R1.30 CCCNC(=O)c1cccnc1 WXVL_AK00504SC0061 [1,0,0,0,0,1|2,0,0]=4 2590 B12R1.30 CCCNC(=O)c1cccnc1 WXVL_AK00504SC0061 [1,0,0,0,0,1|2,0,0]=4 2591 B12R1.30 CCCNC(=O)c1cccnn1 WXVL_AK00504SC0374 [1,0,0,0,0,1|2,0,0]=4 2592 B12R1.30 CCCNC(=O)c1cccnn1 WXVL_AK00504SC0374 [1,0,0,0,0,1|2,0,0]=4 2593 B12R1.30 CCCNC(=O)c1ccncc1 WXVL_AK00504SC0062 [1,0,0,0,0,1|2,0,0]=4 2594 B12R1.30 CCCNC(=O)c1ccncc1 WXVL_AK00504SC0062 [1,0,0,0,0,1|2,0,0]=4 2595 B12R1.30 CCCNC(=O)c1ccncn1 WXVL_AK00504SC0231 [1,0,0,0,0,1|2,0,0]=4 2596 B12R1.30 CCCNC(=O)c1ccncn1 WXVL_AK00504SC0231 [1,0,0,0,0,1|2,0,0]=4 2597 B12R1.30 CCCNC(=O)c1ncccn1 WXVL_AK00504SC0096 [1,0,0,0,0,1|2,0,0]=4 2598 B12R1.30 CCCNC(=O)c1ncccn1 WXVL_AK00504SC0096 [1,0,0,0,0,1|2,0,0]=4 2599 B14R1.158 CCCCNC(=O)Cc1ccccc1 WXVL_AK00588SB0092 [0,0,0,0,0,2|2,0,0]=4 2600 B14R1.158 CCCCNC(=O)Cc1ccccc1 WXVL_AK00588SB0092 [0,0,0,0,0,2|2,0,0]=4 2601 B14R1.158 CCCCNC(=O)Cc1ccccn1 WXVL_AK00588SA0032 [0,0,0,0,0,2|2,0,0]=4 2602 B14R1.158 CCCCNC(=O)Cc1ccccn1 WXVL_AK00588SA0032 [0,0,0,0,0,2|2,0,0]=4 2603 B14R1.158 CCCCNC(=O)Cc1cccnc1 WXVL_AK00588SA0029 [0,0,0,0,0,2|2,0,0]=4 2604 B14R1.158 CCCCNC(=O)Cc1cccnc1 WXVL_AK00588SA0029 [0,0,0,0,0,2|2,0,0]=4 2605 B14R1.158 CCCCNC(=O)Cc1cccnc1 WXVL_AK00588SB00049 [0,0,0,0,0,2|2,0,0]=4 2606 B14R1.158 CCCCNC(=O)Cc1cccnc1 WXVL_AK00588SB00049 [0,0,0,0,0,2|2,0,0]=4 2607 B14R1.158 CCCCNC(=O)Cc1ccncc1 WXVL_AK00588SA00106 [0,0,0,0,0,2|2,0,0]=4 2608 B14R1.158 CCCCNC(=O)Cc1ccncc1 WXVL_AK00588SA00106 [0,0,0,0,0,2|2,0,0]=4 2609 B14R1.158 CCCCNC(=O)Cc1ncccn1 WXVL_AK00588SA0307 [0,0,0,0,0,2|2,0,0]=4 2610 B14R1.158 CCCCNC(=O)Cc1ncccn1 WXVL_AK00588SA0307 [0,0,0,0,0,2|2,0,0]=4 2611 B14R1.158 CCCCNC(=O)Nc1ccccn1 WXVL_AK00588YV0189 [0,0,0,0,0,2|2,0,0]=4 2612 B14R1.158 CCCCNC(=O)Nc1ccccn1 WXVL_AK00588YV0189 [0,0,0,0,0,2|2,0,0]=4 2613 B14R1.158 O=C(CCCCBr)Nc1ccccc1 WXVL_AG00183SB3153 [0,0,0,0,0,2|2,0,0]=4 2614 B14R1.158 O=C(CCCCBr)Nc1ccccc1 WXVL_AG00183SB3153 [0,0,0,0,0,2|2,0,0]=4 2615 B14R1.158 O=C(CCCCBr)Nc1ccccn1 WXVL_AF00298SB3153 [0,0,0,0,0,2|2,0,0]=4 2616 B14R1.158 O=C(CCCCBr)Nc1ccccn1 WXVL_AF00298SB3153 [0,0,0,0,0,2|2,0,0]=4 2617 B14R1.158 O=C(CCCCBr)Nc1cccnn1 WXVL_AF0151SB3153 [0,0,0,0,0,2|2,0,0]=4 2618 B14R1.158 O=C(CCCCBr)Nc1cccnn1 WXVL_AF0151SB3153 [0,0,0,0,0,2|2,0,0]=4 2619 B14R1.158 O=C(CCCCBr)Nc1ccncn1 WXVL_AF0139SB3153 [0,0,0,0,0,2|2,0,0]=4 2620 B14R1.158 O=C(CCCCBr)Nc1ccncn1 WXVL_AF0139SB3153 [0,0,0,0,0,2|2,0,0]=4 2621 B14R1.158 O=C(CCCCBr)Nc1cnccn1 WXVL_AF0120SB3153 [0,0,0,0,0,2|2,0,0]=4 2622 B14R1.158 O=C(CCCCBr)Nc1cnccn1 WXVL_AF0120SB3153 [0,0,0,0,0,2|2,0,0]=4 2623 B14R1.158 O=C(CCCCCl)Nc1ccccc1 WXVL_AG00183SB0379 [0,0,0,0,0,2|2,0,0]=4 2624 B14R1.158 O=C(CCCCCl)Nc1ccccc1 WXVL_AG00183SB0379 [0,0,0,0,0,2|2,0,0]=4 2625 B14R1.158 O=C(CCCCCl)Nc1ccccn1 WXVL_AF00298SB0379 [0,0,0,0,0,2|2,0,0]=4 2626 B14R1.158 O=C(CCCCCl)Nc1ccccn1 WXVL_AF00298SB0379 [0,0,0,0,0,2|2,0,0]=4 2627 B14R1.158 O=C(CCCCCl)Nc1cccnn1 WXVL_AF0151SB0379 [0,0,0,0,0,2|2,0,0]=4 2628 B14R1.158 O=C(CCCCCl)Nc1cccnn1 WXVL_AF0151SB0379 [0,0,0,0,0,2|2,0,0]=4 2629 B14R1.158 O=C(CCCCCl)Nc1ccncn1 WXVL_AF0139SB0379 [0,0,0,0,0,2|2,0,0]=4 2630 B14R1.158 O=C(CCCCCl)Nc1ccncn1 WXVL_AF0139SB0379 [0,0,0,0,0,2|2,0,0]=4 2631 B14R1.158 O=C(CCCCCl)Nc1cnccn1 WXVL_AF0120SB0379 [0,0,0,0,0,2|2,0,0]=4 2632 B14R1.158 O=C(CCCCCl)Nc1cnccn1 WXVL_AF0120SB0379 [0,0,0,0,0,2|2,0,0]=4 2633 B14R1.86 C#CCCCC(=O)NCc1ccco1 WXVL_AK0010SB2709 [0,0,0,0,0,2|0,0,2]=4 2634 B14R1.86 C#CCCCC(=O)NCc1ccco1 WXVL_AK0010SB2709 [0,0,0,0,0,2|0,0,2]=4 2635 B14R1.86 C=CCCCC(=O)NCc1ccco1 WXVL_AK0010SB2920 [0,0,0,0,0,2|0,0,2]=4 2636 B14R1.86 C=CCCCC(=O)NCc1ccco1 WXVL_AK0010SB2920 [0,0,0,0,0,2|0,0,2]=4 2637 B14R1.86 CC/C=C/CC(=O)NCc1ccco1 WXVL_AK0010SB0349 [0,0,0,0,0,2|0,0,2]=4 2638 B14R1.86 CC/C=C/CC(=O)NCc1ccco1 WXVL_AK0010SB0349 [0,0,0,0,0,2|0,0,2]=4 2639 B14R1.86 CCCCNC(=O)/C=C/c1ccco1 WXVL_AK00588SA0180 [0,0,0,0,0,2|1,0,0]=3 2640 B14R1.86 CCCCNC(=O)/C=C/c1ccco1 WXVL_AK00588SA0180 [0,0,0,0,0,2|1,0,0]=3 2641 B14R1.86 CCCCNC(=O)/C=C/c1cccs1 WXVL_AK00588SA0001 [0,0,0,0,0,2|1,1,0]=4 2642 B14R1.86 CCCCNC(=O)/C=C/c1cccs1 WXVL_AK00588SA0001 [0,0,0,0,0,2|1,1,0]=4 2643 B14R1.86 CCCCNC(=O)CCc1ccc[nH]1 WXVL_AK00588SA0009 [0,0,0,0,0,2|2,0,0]=4 2644 B14R1.86 CCCCNC(=O)CCc1ccc[nH]1 WXVL_AK00588SA0009 [0,0,0,0,0,2|2,0,0]=4 2645 B14R1.86 CCCCNC(=O)CCc1ccco1 WXVL_AK00588SA0167 [0,0,0,0,0,2|1,0,0]=3 2646 B14R1.86 CCCCNC(=O)CCc1ccco1 WXVL_AK00588SA0167 [0,0,0,0,0,2|1,0,0]=3 2647 B14R1.86 CCCCNC(=O)CCc1cccs1 WXVL_AK00588SA0303 [0,0,0,0,0,2|1,1,0]=4 2648 B14R1.86 CCCCNC(=O)CCc1cccs1 WXVL_AK00588SA0303 [0,0,0,0,0,2|1,1,0]=4 2649 B14R1.86 CSCCNC(=O)/C=C/c1ccco1 WXVL_AK00440SA0180 [0,0,0,0,0,2|2,0,0]=4 2650 B14R1.86 CSCCNC(=O)/C=C/c1ccco1 WXVL_AK00440SA0180 [0,0,0,0,0,2|2,0,0]=4 2651 B14R1.86 CSCCNC(=O)CCc1ccco1 WXVL_AK00440SA0167 [0,0,0,0,0,2|2,0,0]=4 2652 B14R1.86 CSCCNC(=O)CCc1ccco1 WXVL_AK00440SA0167 [0,0,0,0,0,2|2,0,0]=4 2653 B14R1.86 O=C(/C=C/c1ccco1)NCCCO WXVL_AK0073SA0180 [0,0,0,0,0,2|2,0,0]=4 2654 B14R1.86 O=C(/C=C/c1ccco1)NCCCO WXVL_AK0073SA0180 [0,0,0,0,0,2|2,0,0]=4 2655 B14R1.86 O=C(CCCCBr)NCc1ccc[nH]1 WXVL_AK00759SB3153 [0,0,0,0,0,2|2,0,0]=4 2656 B14R1.86 O=C(CCCCBr)NCc1ccc[nH]1 WXVL_AK00759SB3153 [0,0,0,0,0,2|2,0,0]=4 2657 B14R1.86 O=C(CCCCBr)NCc1ccco1 WXVL_AK0010SB3153 [0,0,0,0,0,2|1,0,0]=3 2658 B14R1.86 O=C(CCCCBr)NCc1ccco1 WXVL_AK0010SB3153 [0,0,0,0,0,2|1,0,0]=3 2659 B14R1.86 O=C(CCCCBr)NCc1cccs1 WXVL_AK0014SB3153 [0,0,0,0,0,2|1,1,0]=4 2660 B14R1.86 O=C(CCCCBr)NCc1cccs1 WXVL_AK0014SB3153 [0,0,0,0,0,2|1,1,0]=4 2661 B14R1.86 O=C(CCCCBr)NCc1cnco1 WXVL_AK1437SB3153 [0,0,0,0,0,2|2,0,0]=4 2662 B14R1.86 O=C(CCCCBr)NCc1cnco1 WXVL_AK1437SB3153 [0,0,0,0,0,2|2,0,0]=4 2663 B14R1.86 O=C(CCCCCl)NCc1ccc[nH]1 WXVL_AK00759SB0379 [0,0,0,0,0,2|2,0,0]=4 2664 B14R1.86 O=C(CCCCCl)NCc1ccc[nH]1 WXVL_AK00759SB0379 [0,0,0,0,0,2|2,0,0]=4 2665 B14R1.86 O=C(CCCCCl)NCc1ccco1 WXVL_AK0010SB0379 [0,0,0,0,0,2|1,0,0]=3 2666 B14R1.86 O=C(CCCCCl)NCc1ccco1 WXVL_AK0010SB0379 [0,0,0,0,0,2|1,0,0]=3 2667 B14R1.86 O=C(CCCCCl)NCc1cccs1 WXVL_AK0014SB0379 [0,0,0,0,0,2|1,1,0]=4 2668 B14R1.86 O=C(CCCCCl)NCc1cccs1 WXVL_AK0014SB0379 [0,0,0,0,0,2|1,1,0]=4 2669 B14R1.86 O=C(CCCCCl)NCc1cnco1 WXVL_AK1437SB0379 [0,0,0,0,0,2|2,0,0]=4 2670 B14R1.86 O=C(CCCCCl)NCc1cnco1 WXVL_AK1437SB0379 [0,0,0,0,0,2|2,0,0]=4 2671 B14R1.86 O=C(CCc1ccco1)NCCCO WXVL_AK0073SA0167 [0,0,0,0,0,2|2,0,0]=4 2672 B14R1.86 O=C(CCc1ccco1)NCCCO WXVL_AK0073SA0167 [0,0,0,0,0,2|2,0,0]=4 2673 B14R1.86 O=C(NCCCCl)NCc1ccco1 WXVL_AK0010YV0130 [0,0,0,0,0,2|2,0,0]=4 2674 B14R1.86 O=C(NCCCCl)NCc1ccco1 WXVL_AK0010YV0130 [0,0,0,0,0,2|2,0,0]=4