0 B11R1.29 C=CCNC(=O)c1ccco1 WXVL_AK00561SC0049 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.29 C=CCNC(=O)c1ccco1 WXVL_AK00561SC0049 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.29 C=CCNC(=O)c1cccs1 WXVL_AK00561SC0051 [0,0,0,0,0,0|1,1,2]=4 3 B11R1.29 C=CCNC(=O)c1cccs1 WXVL_AK00561SC0051 [0,0,0,0,0,0|1,1,2]=4 4 B11R1.29 C=CCNC(=O)c1ccno1 WXVL_AK00561SC0080 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.29 C=CCNC(=O)c1ccno1 WXVL_AK00561SC0080 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.29 C=CCNC(=O)c1cnco1 WXVL_AK00561SC0018 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.29 C=CCNC(=O)c1cnco1 WXVL_AK00561SC0018 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.29 CCCNC(=O)c1c[nH]cn1 WXVL_AK00504SC0074 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.29 CCCNC(=O)c1c[nH]cn1 WXVL_AK00504SC0074 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.29 CCCNC(=O)c1cc[nH]c1 WXVL_AK00504SC0013 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.29 CCCNC(=O)c1cc[nH]c1 WXVL_AK00504SC0013 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.29 CCCNC(=O)c1cc[nH]n1 WXVL_AK00504SC0003 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.29 CCCNC(=O)c1cc[nH]n1 WXVL_AK00504SC0003 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.29 CCCNC(=O)c1ccco1 WXVL_AK00504SC0049 [0,0,0,0,0,0|1,0,0]=1 15 B11R1.29 CCCNC(=O)c1ccco1 WXVL_AK00504SC0049 [0,0,0,0,0,0|1,0,0]=1 16 B11R1.29 CCCNC(=O)c1cccs1 WXVL_AK00504SC0051 [0,0,0,0,0,0|1,1,0]=2 17 B11R1.29 CCCNC(=O)c1cccs1 WXVL_AK00504SC0051 [0,0,0,0,0,0|1,1,0]=2 18 B11R1.29 CCCNC(=O)c1ccno1 WXVL_AK00504SC0080 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.29 CCCNC(=O)c1ccno1 WXVL_AK00504SC0080 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.29 CCCNC(=O)c1ccns1 WXVL_AK00504SC0027 [0,0,0,0,0,0|2,1,0]=3 21 B11R1.29 CCCNC(=O)c1ccns1 WXVL_AK00504SC0027 [0,0,0,0,0,0|2,1,0]=3 22 B11R1.29 CCCNC(=O)c1ccoc1 WXVL_AK00504SC0050 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.29 CCCNC(=O)c1ccoc1 WXVL_AK00504SC0050 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.29 CCCNC(=O)c1ccon1 WXVL_AK00504SC0116 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.29 CCCNC(=O)c1ccon1 WXVL_AK00504SC0116 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.29 CCCNC(=O)c1ccsc1 WXVL_AK00504SC0054 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.29 CCCNC(=O)c1ccsc1 WXVL_AK00504SC0054 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.29 CCCNC(=O)c1ccsn1 WXVL_AK00504SC0764 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.29 CCCNC(=O)c1ccsn1 WXVL_AK00504SC0764 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.29 CCCNC(=O)c1cn[nH]c1 WXVL_AK00504SC0254 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.29 CCCNC(=O)c1cn[nH]c1 WXVL_AK00504SC0254 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.29 CCCNC(=O)c1cnc[nH]1 WXVL_AK00504SC0247 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.29 CCCNC(=O)c1cnc[nH]1 WXVL_AK00504SC0247 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.29 CCCNC(=O)c1cnco1 WXVL_AK00504SC0018 [0,0,0,0,0,0|2,0,0]=2 35 B11R1.29 CCCNC(=O)c1cnco1 WXVL_AK00504SC0018 [0,0,0,0,0,0|2,0,0]=2 36 B11R1.29 CCCNC(=O)c1cncs1 WXVL_AK00504SC0113 [0,0,0,0,0,0|2,1,0]=3 37 B11R1.29 CCCNC(=O)c1cncs1 WXVL_AK00504SC0113 [0,0,0,0,0,0|2,1,0]=3 38 B11R1.29 CCCNC(=O)c1cnon1 WXVL_AK00504SC0777 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.29 CCCNC(=O)c1cnon1 WXVL_AK00504SC0777 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.29 CCCNC(=O)c1cnsn1 WXVL_AK00504SC1291 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.29 CCCNC(=O)c1cnsn1 WXVL_AK00504SC1291 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.29 CCCNC(=O)c1cocn1 WXVL_AK00504SC0118 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.29 CCCNC(=O)c1cocn1 WXVL_AK00504SC0118 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.29 CCCNC(=O)c1cscn1 WXVL_AK00504SC0092 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.29 CCCNC(=O)c1cscn1 WXVL_AK00504SC0092 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.29 CCCNC(=O)c1csnn1 WXVL_AK00504SC0002 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.29 CCCNC(=O)c1csnn1 WXVL_AK00504SC0002 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.29 CCCNC(=O)c1nc[nH]n1 WXVL_AK00504SC0376 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.29 CCCNC(=O)c1nc[nH]n1 WXVL_AK00504SC0376 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.29 CCCNC(=O)c1nccs1 WXVL_AK00504SC0110 [0,0,0,0,0,0|2,1,0]=3 51 B11R1.29 CCCNC(=O)c1nccs1 WXVL_AK00504SC0110 [0,0,0,0,0,0|2,1,0]=3 52 B11R1.29 CCCNC(=O)c1nnc[nH]1 WXVL_AK00504SC00053 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.29 CCCNC(=O)c1nnc[nH]1 WXVL_AK00504SC00053 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.29 N#CCNC(=O)c1ccco1 WXVL_AK0683SC0049 [0,0,0,0,0,0|2,0,1]=3 55 B11R1.29 N#CCNC(=O)c1ccco1 WXVL_AK0683SC0049 [0,0,0,0,0,0|2,0,1]=3 56 B11R1.29 N#CCNC(=O)c1cccs1 WXVL_AK0683SC0051 [0,0,0,0,0,0|2,1,1]=4 57 B11R1.29 N#CCNC(=O)c1cccs1 WXVL_AK0683SC0051 [0,0,0,0,0,0|2,1,1]=4 58 B11R1.29 N#CCNC(=O)c1ccno1 WXVL_AK0683SC0080 [0,0,0,0,0,0|3,0,1]=4 59 B11R1.29 N#CCNC(=O)c1ccno1 WXVL_AK0683SC0080 [0,0,0,0,0,0|3,0,1]=4 60 B11R1.29 N#CCNC(=O)c1cnco1 WXVL_AK0683SC0018 [0,0,0,0,0,0|3,0,1]=4 61 B11R1.29 N#CCNC(=O)c1cnco1 WXVL_AK0683SC0018 [0,0,0,0,0,0|3,0,1]=4 62 B11R1.29 O=C(NCCF)c1c[nH]cn1 WXVL_AK00466SC0074 [0,0,0,0,0,0|4,0,0]=4 63 B11R1.29 O=C(NCCF)c1c[nH]cn1 WXVL_AK00466SC0074 [0,0,0,0,0,0|4,0,0]=4 64 B11R1.29 O=C(NCCF)c1cc[nH]c1 WXVL_AK00466SC0013 [0,0,0,0,0,0|4,0,0]=4 65 B11R1.29 O=C(NCCF)c1cc[nH]c1 WXVL_AK00466SC0013 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.29 O=C(NCCF)c1cc[nH]n1 WXVL_AK00466SC0003 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.29 O=C(NCCF)c1cc[nH]n1 WXVL_AK00466SC0003 [0,0,0,0,0,0|4,0,0]=4 68 B11R1.29 O=C(NCCF)c1ccco1 WXVL_AK00466SC0049 [0,0,0,0,0,0|2,0,0]=2 69 B11R1.29 O=C(NCCF)c1ccco1 WXVL_AK00466SC0049 [0,0,0,0,0,0|2,0,0]=2 70 B11R1.29 O=C(NCCF)c1cccs1 WXVL_AK00466SC0051 [0,0,0,0,0,0|2,1,0]=3 71 B11R1.29 O=C(NCCF)c1cccs1 WXVL_AK00466SC0051 [0,0,0,0,0,0|2,1,0]=3 72 B11R1.29 O=C(NCCF)c1ccno1 WXVL_AK00466SC0080 [0,0,0,0,0,0|3,0,0]=3 73 B11R1.29 O=C(NCCF)c1ccno1 WXVL_AK00466SC0080 [0,0,0,0,0,0|3,0,0]=3 74 B11R1.29 O=C(NCCF)c1ccns1 WXVL_AK00466SC0027 [0,0,0,0,0,0|3,1,0]=4 75 B11R1.29 O=C(NCCF)c1ccns1 WXVL_AK00466SC0027 [0,0,0,0,0,0|3,1,0]=4 76 B11R1.29 O=C(NCCF)c1ccoc1 WXVL_AK00466SC0050 [0,0,0,0,0,0|4,0,0]=4 77 B11R1.29 O=C(NCCF)c1ccoc1 WXVL_AK00466SC0050 [0,0,0,0,0,0|4,0,0]=4 78 B11R1.29 O=C(NCCF)c1ccon1 WXVL_AK00466SC0116 [0,0,0,0,0,0|4,0,0]=4 79 B11R1.29 O=C(NCCF)c1ccon1 WXVL_AK00466SC0116 [0,0,0,0,0,0|4,0,0]=4 80 B11R1.29 O=C(NCCF)c1ccsc1 WXVL_AK00466SC0054 [0,0,0,0,0,0|4,0,0]=4 81 B11R1.29 O=C(NCCF)c1ccsc1 WXVL_AK00466SC0054 [0,0,0,0,0,0|4,0,0]=4 82 B11R1.29 O=C(NCCF)c1ccsn1 WXVL_AK00466SC0764 [0,0,0,0,0,0|4,0,0]=4 83 B11R1.29 O=C(NCCF)c1ccsn1 WXVL_AK00466SC0764 [0,0,0,0,0,0|4,0,0]=4 84 B11R1.29 O=C(NCCF)c1cnc[nH]1 WXVL_AK00466SC0247 [0,0,0,0,0,0|4,0,0]=4 85 B11R1.29 O=C(NCCF)c1cnc[nH]1 WXVL_AK00466SC0247 [0,0,0,0,0,0|4,0,0]=4 86 B11R1.29 O=C(NCCF)c1cnco1 WXVL_AK00466SC0018 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.29 O=C(NCCF)c1cnco1 WXVL_AK00466SC0018 [0,0,0,0,0,0|3,0,0]=3 88 B11R1.29 O=C(NCCF)c1cncs1 WXVL_AK00466SC0113 [0,0,0,0,0,0|3,1,0]=4 89 B11R1.29 O=C(NCCF)c1cncs1 WXVL_AK00466SC0113 [0,0,0,0,0,0|3,1,0]=4 90 B11R1.29 O=C(NCCF)c1cocn1 WXVL_AK00466SC0118 [0,0,0,0,0,0|4,0,0]=4 91 B11R1.29 O=C(NCCF)c1cocn1 WXVL_AK00466SC0118 [0,0,0,0,0,0|4,0,0]=4 92 B11R1.29 O=C(NCCF)c1cscn1 WXVL_AK00466SC0092 [0,0,0,0,0,0|4,0,0]=4 93 B11R1.29 O=C(NCCF)c1cscn1 WXVL_AK00466SC0092 [0,0,0,0,0,0|4,0,0]=4 94 B11R1.29 O=C(NCCF)c1nccs1 WXVL_AK00466SC0110 [0,0,0,0,0,0|3,1,0]=4 95 B11R1.29 O=C(NCCF)c1nccs1 WXVL_AK00466SC0110 [0,0,0,0,0,0|3,1,0]=4 96 B10R1.11 CCNC(=O)c1c[nH]cn1 WXVL_AK00476SC0074 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.11 CCNC(=O)c1c[nH]cn1 WXVL_AK00476SC0074 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.11 CCNC(=O)c1cc[nH]c1 WXVL_AK00476SC0013 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.11 CCNC(=O)c1cc[nH]c1 WXVL_AK00476SC0013 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.11 CCNC(=O)c1cc[nH]n1 WXVL_AK00476SC0003 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.11 CCNC(=O)c1cc[nH]n1 WXVL_AK00476SC0003 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [1,0,0,0,0,0|1,0,0]=2 103 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [1,0,0,0,0,0|1,0,0]=2 104 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [1,0,0,0,0,0|1,1,0]=3 105 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [1,0,0,0,0,0|1,1,0]=3 106 B10R1.11 CCNC(=O)c1ccno1 WXVL_AK00476SC0080 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.11 CCNC(=O)c1ccno1 WXVL_AK00476SC0080 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.11 CCNC(=O)c1ccns1 WXVL_AK00476SC0027 [1,0,0,0,0,0|2,1,0]=4 109 B10R1.11 CCNC(=O)c1ccns1 WXVL_AK00476SC0027 [1,0,0,0,0,0|2,1,0]=4 110 B10R1.11 CCNC(=O)c1ccoc1 WXVL_AK00476SC0050 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.11 CCNC(=O)c1ccoc1 WXVL_AK00476SC0050 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.11 CCNC(=O)c1ccon1 WXVL_AK00476SC0116 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.11 CCNC(=O)c1ccon1 WXVL_AK00476SC0116 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.11 CCNC(=O)c1ccsc1 WXVL_AK00476SC0054 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.11 CCNC(=O)c1ccsc1 WXVL_AK00476SC0054 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.11 CCNC(=O)c1ccsn1 WXVL_AK00476SC0764 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.11 CCNC(=O)c1ccsn1 WXVL_AK00476SC0764 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.11 CCNC(=O)c1cnc[nH]1 WXVL_AK00476SC0247 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.11 CCNC(=O)c1cnc[nH]1 WXVL_AK00476SC0247 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.11 CCNC(=O)c1cnco1 WXVL_AK00476SC0018 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.11 CCNC(=O)c1cnco1 WXVL_AK00476SC0018 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.11 CCNC(=O)c1cncs1 WXVL_AK00476SC0113 [1,0,0,0,0,0|2,1,0]=4 123 B10R1.11 CCNC(=O)c1cncs1 WXVL_AK00476SC0113 [1,0,0,0,0,0|2,1,0]=4 124 B10R1.11 CCNC(=O)c1cocn1 WXVL_AK00476SC0118 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.11 CCNC(=O)c1cocn1 WXVL_AK00476SC0118 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.11 CCNC(=O)c1cscn1 WXVL_AK00476SC0092 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.11 CCNC(=O)c1cscn1 WXVL_AK00476SC0092 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.11 CCNC(=O)c1nccs1 WXVL_AK00476SC0110 [1,0,0,0,0,0|2,1,0]=4 129 B10R1.11 CCNC(=O)c1nccs1 WXVL_AK00476SC0110 [1,0,0,0,0,0|2,1,0]=4 130 B12R1.15 C#C[C@@H](C)NC(=O)c1ccco1 WXVL_AK00735SC0049 [0,1,0,0,0,0|1,0,2]=4 131 B12R1.15 C#C[C@@H](C)NC(=O)c1ccco1 WXVL_AK00735SC0049 [0,1,0,0,0,0|1,0,2]=4 132 B12R1.15 C=CC(C)NC(=O)c1ccco1 WXVL_AK00769SC0049 [0,1,0,0,0,0|1,0,2]=4 133 B12R1.15 C=CC(C)NC(=O)c1ccco1 WXVL_AK00769SC0049 [0,1,0,0,0,0|1,0,2]=4 134 B12R1.15 CC(C#N)NC(=O)c1ccco1 WXVL_AK00810SC0049 [0,1,0,0,0,0|2,0,1]=4 135 B12R1.15 CC(C#N)NC(=O)c1ccco1 WXVL_AK00810SC0049 [0,1,0,0,0,0|2,0,1]=4 136 B12R1.15 CC[C@H](C)NC(=O)c1c[nH]cn1 WXVL_AK00678SC0074 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.15 CC[C@H](C)NC(=O)c1c[nH]cn1 WXVL_AK00678SC0074 [0,1,0,0,0,0|3,0,0]=4 138 B12R1.15 CC[C@H](C)NC(=O)c1cc[nH]c1 WXVL_AK00678SC0013 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.15 CC[C@H](C)NC(=O)c1cc[nH]c1 WXVL_AK00678SC0013 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.15 CC[C@H](C)NC(=O)c1cc[nH]n1 WXVL_AK00678SC0003 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.15 CC[C@H](C)NC(=O)c1cc[nH]n1 WXVL_AK00678SC0003 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.15 CC[C@H](C)NC(=O)c1ccco1 WXVL_AK00678SC0049 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.15 CC[C@H](C)NC(=O)c1ccco1 WXVL_AK00678SC0049 [0,1,0,0,0,0|1,0,0]=2 144 B12R1.15 CC[C@H](C)NC(=O)c1cccs1 WXVL_AK00678SC0051 [0,1,0,0,0,0|1,1,0]=3 145 B12R1.15 CC[C@H](C)NC(=O)c1cccs1 WXVL_AK00678SC0051 [0,1,0,0,0,0|1,1,0]=3 146 B12R1.15 CC[C@H](C)NC(=O)c1ccno1 WXVL_AK00678SC0080 [0,1,0,0,0,0|2,0,0]=3 147 B12R1.15 CC[C@H](C)NC(=O)c1ccno1 WXVL_AK00678SC0080 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.15 CC[C@H](C)NC(=O)c1ccns1 WXVL_AK00678SC0027 [0,1,0,0,0,0|2,1,0]=4 149 B12R1.15 CC[C@H](C)NC(=O)c1ccns1 WXVL_AK00678SC0027 [0,1,0,0,0,0|2,1,0]=4 150 B12R1.15 CC[C@H](C)NC(=O)c1ccoc1 WXVL_AK00678SC0050 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.15 CC[C@H](C)NC(=O)c1ccoc1 WXVL_AK00678SC0050 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.15 CC[C@H](C)NC(=O)c1ccon1 WXVL_AK00678SC0116 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.15 CC[C@H](C)NC(=O)c1ccon1 WXVL_AK00678SC0116 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.15 CC[C@H](C)NC(=O)c1ccsc1 WXVL_AK00678SC0054 [0,1,0,0,0,0|3,0,0]=4 155 B12R1.15 CC[C@H](C)NC(=O)c1ccsc1 WXVL_AK00678SC0054 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.15 CC[C@H](C)NC(=O)c1ccsn1 WXVL_AK00678SC0764 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.15 CC[C@H](C)NC(=O)c1ccsn1 WXVL_AK00678SC0764 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.15 CC[C@H](C)NC(=O)c1cnc[nH]1 WXVL_AK00678SC0247 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.15 CC[C@H](C)NC(=O)c1cnc[nH]1 WXVL_AK00678SC0247 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.15 CC[C@H](C)NC(=O)c1cnco1 WXVL_AK00678SC0018 [0,1,0,0,0,0|2,0,0]=3 161 B12R1.15 CC[C@H](C)NC(=O)c1cnco1 WXVL_AK00678SC0018 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.15 CC[C@H](C)NC(=O)c1cncs1 WXVL_AK00678SC0113 [0,1,0,0,0,0|2,1,0]=4 163 B12R1.15 CC[C@H](C)NC(=O)c1cncs1 WXVL_AK00678SC0113 [0,1,0,0,0,0|2,1,0]=4 164 B12R1.15 CC[C@H](C)NC(=O)c1cocn1 WXVL_AK00678SC0118 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.15 CC[C@H](C)NC(=O)c1cocn1 WXVL_AK00678SC0118 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.15 CC[C@H](C)NC(=O)c1cscn1 WXVL_AK00678SC0092 [0,1,0,0,0,0|3,0,0]=4 167 B12R1.15 CC[C@H](C)NC(=O)c1cscn1 WXVL_AK00678SC0092 [0,1,0,0,0,0|3,0,0]=4 168 B12R1.15 CC[C@H](C)NC(=O)c1nccs1 WXVL_AK00678SC0110 [0,1,0,0,0,0|2,1,0]=4 169 B12R1.15 CC[C@H](C)NC(=O)c1nccs1 WXVL_AK00678SC0110 [0,1,0,0,0,0|2,1,0]=4 170 B12R1.15 C[C@@H](CF)NC(=O)c1ccco1 WXVL_AK00558SC0049 [0,1,0,0,0,0|2,0,0]=3 171 B12R1.15 C[C@@H](CF)NC(=O)c1ccco1 WXVL_AK00558SC0049 [0,1,0,0,0,0|2,0,0]=3 172 B12R1.15 C[C@@H](CF)NC(=O)c1cccs1 WXVL_AK00558SC0051 [0,1,0,0,0,0|2,1,0]=4 173 B12R1.15 C[C@@H](CF)NC(=O)c1cccs1 WXVL_AK00558SC0051 [0,1,0,0,0,0|2,1,0]=4 174 B12R1.15 C[C@@H](CF)NC(=O)c1ccno1 WXVL_AK00558SC0080 [0,1,0,0,0,0|3,0,0]=4 175 B12R1.15 C[C@@H](CF)NC(=O)c1ccno1 WXVL_AK00558SC0080 [0,1,0,0,0,0|3,0,0]=4 176 B12R1.15 C[C@@H](CF)NC(=O)c1cnco1 WXVL_AK00558SC0018 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.15 C[C@@H](CF)NC(=O)c1cnco1 WXVL_AK00558SC0018 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.15 C[C@@H](CO)NC(=O)c1ccco1 WXVL_AK0109SC0049 [0,1,0,0,0,0|2,0,0]=3 179 B12R1.15 C[C@@H](CO)NC(=O)c1ccco1 WXVL_AK0109SC0049 [0,1,0,0,0,0|2,0,0]=3 180 B12R1.15 C[C@@H](CO)NC(=O)c1cccs1 WXVL_AK0109SC0051 [0,1,0,0,0,0|2,1,0]=4 181 B12R1.15 C[C@@H](CO)NC(=O)c1cccs1 WXVL_AK0109SC0051 [0,1,0,0,0,0|2,1,0]=4 182 B12R1.15 C[C@@H](CO)NC(=O)c1ccno1 WXVL_AK0109SC0080 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.15 C[C@@H](CO)NC(=O)c1ccno1 WXVL_AK0109SC0080 [0,1,0,0,0,0|3,0,0]=4 184 B12R1.15 C[C@@H](CO)NC(=O)c1cnco1 WXVL_AK0109SC0018 [0,1,0,0,0,0|3,0,0]=4 185 B12R1.15 C[C@@H](CO)NC(=O)c1cnco1 WXVL_AK0109SC0018 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.29 C=CCNC(=O)c1ccc(o1)C WXVL_AK00561SC0005 [0,1,0,0,0,0|1,0,2]=4 187 B12R1.29 C=CCNC(=O)c1ccc(o1)C WXVL_AK00561SC0005 [0,1,0,0,0,0|1,0,2]=4 188 B12R1.29 C=CCNC(=O)c1ccc(o1)Cl WXVL_AK00561SC0926 [0,1,0,0,0,0|1,0,2]=4 189 B12R1.29 C=CCNC(=O)c1ccc(o1)Cl WXVL_AK00561SC0926 [0,1,0,0,0,0|1,0,2]=4 190 B12R1.29 CCCNC(=O)c1c[nH]c(c1)C WXVL_AK00504SC0298 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.29 CCCNC(=O)c1c[nH]c(c1)C WXVL_AK00504SC0298 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.29 CCCNC(=O)c1c[nH]c(n1)C WXVL_AK00504SC0009 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.29 CCCNC(=O)c1c[nH]c(n1)C WXVL_AK00504SC0009 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.29 CCCNC(=O)c1cc([nH]n1)C WXVL_AK00504SC0267 [0,1,0,0,0,0|3,0,0]=4 195 B12R1.29 CCCNC(=O)c1cc([nH]n1)C WXVL_AK00504SC0267 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.29 CCCNC(=O)c1cc(c[nH]1)Br WXVL_AK00504SC0644 [0,1,0,0,0,0|2,0,0]=3 197 B12R1.29 CCCNC(=O)c1cc(c[nH]1)Br WXVL_AK00504SC0644 [0,1,0,0,0,0|2,0,0]=3 198 B12R1.29 CCCNC(=O)c1cc(c[nH]1)C WXVL_AK00504SC0830 [0,1,0,0,0,0|2,0,0]=3 199 B12R1.29 CCCNC(=O)c1cc(c[nH]1)C WXVL_AK00504SC0830 [0,1,0,0,0,0|2,0,0]=3 200 B12R1.29 CCCNC(=O)c1cc(c[nH]1)F WXVL_AK00504SC0334 [0,1,0,0,0,0|2,0,0]=3 201 B12R1.29 CCCNC(=O)c1cc(c[nH]1)F WXVL_AK00504SC0334 [0,1,0,0,0,0|2,0,0]=3 202 B12R1.29 CCCNC(=O)c1cc(cs1)Br WXVL_AK00504SC0188 [0,1,0,0,0,0|1,1,0]=3 203 B12R1.29 CCCNC(=O)c1cc(cs1)Br WXVL_AK00504SC0188 [0,1,0,0,0,0|1,1,0]=3 204 B12R1.29 CCCNC(=O)c1cc(cs1)C WXVL_AK00504SC0004 [0,1,0,0,0,0|1,1,0]=3 205 B12R1.29 CCCNC(=O)c1cc(cs1)C WXVL_AK00504SC0004 [0,1,0,0,0,0|1,1,0]=3 206 B12R1.29 CCCNC(=O)c1cc(n[nH]1)C WXVL_AK00504SC2215 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.29 CCCNC(=O)c1cc(n[nH]1)C WXVL_AK00504SC2215 [0,1,0,0,0,0|3,0,0]=4 208 B12R1.29 CCCNC(=O)c1cc(no1)C WXVL_AK00504SC0089 [0,1,0,0,0,0|2,0,0]=3 209 B12R1.29 CCCNC(=O)c1cc(no1)C WXVL_AK00504SC0089 [0,1,0,0,0,0|2,0,0]=3 210 B12R1.29 CCCNC(=O)c1cc(no1)O WXVL_AK00504SC0522 [0,1,0,0,0,0|2,0,0]=3 211 B12R1.29 CCCNC(=O)c1cc(no1)O WXVL_AK00504SC0522 [0,1,0,0,0,0|2,0,0]=3 212 B12R1.29 CCCNC(=O)c1cc(on1)C WXVL_AK00504SC0101 [0,1,0,0,0,0|3,0,0]=4 213 B12R1.29 CCCNC(=O)c1cc(on1)C WXVL_AK00504SC0101 [0,1,0,0,0,0|3,0,0]=4 214 B12R1.29 CCCNC(=O)c1ccc(o1)C WXVL_AK00504SC0005 [0,1,0,0,0,0|1,0,0]=2 215 B12R1.29 CCCNC(=O)c1ccc(o1)C WXVL_AK00504SC0005 [0,1,0,0,0,0|1,0,0]=2 216 B12R1.29 CCCNC(=O)c1ccc(o1)Cl WXVL_AK00504SC0926 [0,1,0,0,0,0|1,0,0]=2 217 B12R1.29 CCCNC(=O)c1ccc(o1)Cl WXVL_AK00504SC0926 [0,1,0,0,0,0|1,0,0]=2 218 B12R1.29 CCCNC(=O)c1ccc(s1)Br WXVL_AK00504SC0359 [0,1,0,0,0,0|1,1,0]=3 219 B12R1.29 CCCNC(=O)c1ccc(s1)Br WXVL_AK00504SC0359 [0,1,0,0,0,0|1,1,0]=3 220 B12R1.29 CCCNC(=O)c1ccc(s1)C WXVL_AK00504SC0053 [0,1,0,0,0,0|1,1,0]=3 221 B12R1.29 CCCNC(=O)c1ccc(s1)C WXVL_AK00504SC0053 [0,1,0,0,0,0|1,1,0]=3 222 B12R1.29 CCCNC(=O)c1ccc(s1)Cl WXVL_AK00504SC0067 [0,1,0,0,0,0|1,1,0]=3 223 B12R1.29 CCCNC(=O)c1ccc(s1)Cl WXVL_AK00504SC0067 [0,1,0,0,0,0|1,1,0]=3 224 B12R1.29 CCCNC(=O)c1ccn(c1)C WXVL_AK00504SC0038 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.29 CCCNC(=O)c1ccn(c1)C WXVL_AK00504SC0038 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.29 CCCNC(=O)c1ccn(n1)C WXVL_AK00504SC0091 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.29 CCCNC(=O)c1ccn(n1)C WXVL_AK00504SC0091 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.29 CCCNC(=O)c1cn(cn1)C WXVL_AK00504SC0111 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.29 CCCNC(=O)c1cn(cn1)C WXVL_AK00504SC0111 [0,1,0,0,0,0|3,0,0]=4 230 B12R1.29 CCCNC(=O)c1cnc([nH]1)O WXVL_AK00504SC0498 [0,1,0,0,0,0|3,0,0]=4 231 B12R1.29 CCCNC(=O)c1cnc([nH]1)O WXVL_AK00504SC0498 [0,1,0,0,0,0|3,0,0]=4 232 B12R1.29 CCCNC(=O)c1cnc(o1)Br WXVL_AK00504SC0815 [0,1,0,0,0,0|2,0,0]=3 233 B12R1.29 CCCNC(=O)c1cnc(o1)Br WXVL_AK00504SC0815 [0,1,0,0,0,0|2,0,0]=3 234 B12R1.29 CCCNC(=O)c1cnc(s1)Br WXVL_AK00504SC0723 [0,1,0,0,0,0|2,1,0]=4 235 B12R1.29 CCCNC(=O)c1cnc(s1)Br WXVL_AK00504SC0723 [0,1,0,0,0,0|2,1,0]=4 236 B12R1.29 CCCNC(=O)c1cnc(s1)C WXVL_AK00504SC0326 [0,1,0,0,0,0|2,1,0]=4 237 B12R1.29 CCCNC(=O)c1cnc(s1)C WXVL_AK00504SC0326 [0,1,0,0,0,0|2,1,0]=4 238 B12R1.29 CCCNC(=O)c1cnc(s1)Cl WXVL_AK00504SC0638 [0,1,0,0,0,0|2,1,0]=4 239 B12R1.29 CCCNC(=O)c1cnc(s1)Cl WXVL_AK00504SC0638 [0,1,0,0,0,0|2,1,0]=4 240 B12R1.29 CCCNC(=O)c1coc(n1)C WXVL_AK00504SC0086 [0,1,0,0,0,0|3,0,0]=4 241 B12R1.29 CCCNC(=O)c1coc(n1)C WXVL_AK00504SC0086 [0,1,0,0,0,0|3,0,0]=4 242 B12R1.29 CCCNC(=O)c1coc(n1)Cl WXVL_AK00504SC1341 [0,1,0,0,0,0|3,0,0]=4 243 B12R1.29 CCCNC(=O)c1coc(n1)Cl WXVL_AK00504SC1341 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.29 CCCNC(=O)c1csc(c1)Br WXVL_AK00504SC0189 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.29 CCCNC(=O)c1csc(c1)Br WXVL_AK00504SC0189 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.29 CCCNC(=O)c1csc(n1)C WXVL_AK00504SC0112 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.29 CCCNC(=O)c1csc(n1)C WXVL_AK00504SC0112 [0,1,0,0,0,0|3,0,0]=4 248 B12R1.29 CCCNC(=O)c1csc(n1)Cl WXVL_AK00504SC0688 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.29 CCCNC(=O)c1csc(n1)Cl WXVL_AK00504SC0688 [0,1,0,0,0,0|3,0,0]=4 250 B12R1.29 CCCNC(=O)c1nc(cs1)Br WXVL_AK00504SC0687 [0,1,0,0,0,0|2,1,0]=4 251 B12R1.29 CCCNC(=O)c1nc(cs1)Br WXVL_AK00504SC0687 [0,1,0,0,0,0|2,1,0]=4 252 B12R1.29 CCCNC(=O)c1nc(cs1)C WXVL_AK00504SC0538 [0,1,0,0,0,0|2,1,0]=4 253 B12R1.29 CCCNC(=O)c1nc(cs1)C WXVL_AK00504SC0538 [0,1,0,0,0,0|2,1,0]=4 254 B12R1.29 CCCNC(=O)c1ncc(s1)C WXVL_AK00504SC0031 [0,1,0,0,0,0|2,1,0]=4 255 B12R1.29 CCCNC(=O)c1ncc(s1)C WXVL_AK00504SC0031 [0,1,0,0,0,0|2,1,0]=4 256 B12R1.29 Cc1c[nH]c(c1)C(=O)NCCF WXVL_AK00466SC0830 [0,1,0,0,0,0|3,0,0]=4 257 B12R1.29 Cc1c[nH]c(c1)C(=O)NCCF WXVL_AK00466SC0830 [0,1,0,0,0,0|3,0,0]=4 258 B12R1.29 Cc1cc(on1)C(=O)NCCF WXVL_AK00466SC0089 [0,1,0,0,0,0|3,0,0]=4 259 B12R1.29 Cc1cc(on1)C(=O)NCCF WXVL_AK00466SC0089 [0,1,0,0,0,0|3,0,0]=4 260 B12R1.29 Cc1ccc(o1)C(=O)NCC#N WXVL_AK0683SC0005 [0,1,0,0,0,0|2,0,1]=4 261 B12R1.29 Cc1ccc(o1)C(=O)NCC#N WXVL_AK0683SC0005 [0,1,0,0,0,0|2,0,1]=4 262 B12R1.29 Cc1ccc(o1)C(=O)NCCF WXVL_AK00466SC0005 [0,1,0,0,0,0|2,0,0]=3 263 B12R1.29 Cc1ccc(o1)C(=O)NCCF WXVL_AK00466SC0005 [0,1,0,0,0,0|2,0,0]=3 264 B12R1.29 Cc1ccc(s1)C(=O)NCCF WXVL_AK00466SC0053 [0,1,0,0,0,0|2,1,0]=4 265 B12R1.29 Cc1ccc(s1)C(=O)NCCF WXVL_AK00466SC0053 [0,1,0,0,0,0|2,1,0]=4 266 B12R1.29 Cc1csc(c1)C(=O)NCCF WXVL_AK00466SC0004 [0,1,0,0,0,0|2,1,0]=4 267 B12R1.29 Cc1csc(c1)C(=O)NCCF WXVL_AK00466SC0004 [0,1,0,0,0,0|2,1,0]=4 268 B12R1.29 N#CCNC(=O)c1ccc(o1)Cl WXVL_AK0683SC0926 [0,1,0,0,0,0|2,0,1]=4 269 B12R1.29 N#CCNC(=O)c1ccc(o1)Cl WXVL_AK0683SC0926 [0,1,0,0,0,0|2,0,1]=4 270 B12R1.29 O=C(NCCF)c1cc(c[nH]1)Br WXVL_AK00466SC0644 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.29 O=C(NCCF)c1cc(c[nH]1)Br WXVL_AK00466SC0644 [0,1,0,0,0,0|3,0,0]=4 272 B12R1.29 O=C(NCCF)c1cc(c[nH]1)F WXVL_AK00466SC0334 [0,1,0,0,0,0|3,0,0]=4 273 B12R1.29 O=C(NCCF)c1cc(c[nH]1)F WXVL_AK00466SC0334 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.29 O=C(NCCF)c1cc(cs1)Br WXVL_AK00466SC0188 [0,1,0,0,0,0|2,1,0]=4 275 B12R1.29 O=C(NCCF)c1cc(cs1)Br WXVL_AK00466SC0188 [0,1,0,0,0,0|2,1,0]=4 276 B12R1.29 O=C(NCCF)c1cc(no1)O WXVL_AK00466SC0522 [0,1,0,0,0,0|3,0,0]=4 277 B12R1.29 O=C(NCCF)c1cc(no1)O WXVL_AK00466SC0522 [0,1,0,0,0,0|3,0,0]=4 278 B12R1.29 O=C(NCCF)c1ccc(o1)Cl WXVL_AK00466SC0926 [0,1,0,0,0,0|2,0,0]=3 279 B12R1.29 O=C(NCCF)c1ccc(o1)Cl WXVL_AK00466SC0926 [0,1,0,0,0,0|2,0,0]=3 280 B12R1.29 O=C(NCCF)c1ccc(s1)Br WXVL_AK00466SC0359 [0,1,0,0,0,0|2,1,0]=4 281 B12R1.29 O=C(NCCF)c1ccc(s1)Br WXVL_AK00466SC0359 [0,1,0,0,0,0|2,1,0]=4 282 B12R1.29 O=C(NCCF)c1ccc(s1)Cl WXVL_AK00466SC0067 [0,1,0,0,0,0|2,1,0]=4 283 B12R1.29 O=C(NCCF)c1ccc(s1)Cl WXVL_AK00466SC0067 [0,1,0,0,0,0|2,1,0]=4 284 B12R1.29 O=C(NCCF)c1cnc(o1)Br WXVL_AK00466SC0815 [0,1,0,0,0,0|3,0,0]=4 285 B12R1.29 O=C(NCCF)c1cnc(o1)Br WXVL_AK00466SC0815 [0,1,0,0,0,0|3,0,0]=4 286 B12R1.35 C#CCCNC(=O)c1ccco1 WXVL_AK3109SC0049 [0,1,0,0,0,0|0,0,2]=3 287 B12R1.35 C#CCCNC(=O)c1ccco1 WXVL_AK3109SC0049 [0,1,0,0,0,0|0,0,2]=3 288 B12R1.35 C#CCCNC(=O)c1cccs1 WXVL_AK3109SC0051 [0,1,0,0,0,0|0,1,2]=4 289 B12R1.35 C#CCCNC(=O)c1cccs1 WXVL_AK3109SC0051 [0,1,0,0,0,0|0,1,2]=4 290 B12R1.35 C#CCCNC(=O)c1ccno1 WXVL_AK3109SC0080 [0,1,0,0,0,0|1,0,2]=4 291 B12R1.35 C#CCCNC(=O)c1ccno1 WXVL_AK3109SC0080 [0,1,0,0,0,0|1,0,2]=4 292 B12R1.35 C#CCCNC(=O)c1cnco1 WXVL_AK3109SC0018 [0,1,0,0,0,0|1,0,2]=4 293 B12R1.35 C#CCCNC(=O)c1cnco1 WXVL_AK3109SC0018 [0,1,0,0,0,0|1,0,2]=4 294 B12R1.35 C=CCCNC(=O)c1ccco1 WXVL_AK00138SC0049 [0,1,0,0,0,0|0,0,2]=3 295 B12R1.35 C=CCCNC(=O)c1ccco1 WXVL_AK00138SC0049 [0,1,0,0,0,0|0,0,2]=3 296 B12R1.35 C=CCCNC(=O)c1cccs1 WXVL_AK00138SC0051 [0,1,0,0,0,0|0,1,2]=4 297 B12R1.35 C=CCCNC(=O)c1cccs1 WXVL_AK00138SC0051 [0,1,0,0,0,0|0,1,2]=4 298 B12R1.35 C=CCCNC(=O)c1ccno1 WXVL_AK00138SC0080 [0,1,0,0,0,0|1,0,2]=4 299 B12R1.35 C=CCCNC(=O)c1ccno1 WXVL_AK00138SC0080 [0,1,0,0,0,0|1,0,2]=4 300 B12R1.35 C=CCCNC(=O)c1cnco1 WXVL_AK00138SC0018 [0,1,0,0,0,0|1,0,2]=4 301 B12R1.35 C=CCCNC(=O)c1cnco1 WXVL_AK00138SC0018 [0,1,0,0,0,0|1,0,2]=4 302 B12R1.35 CCCCNC(=O)c1c[nH]cn1 WXVL_AK00588SC0074 [0,1,0,0,0,0|2,0,0]=3 303 B12R1.35 CCCCNC(=O)c1c[nH]cn1 WXVL_AK00588SC0074 [0,1,0,0,0,0|2,0,0]=3 304 B12R1.35 CCCCNC(=O)c1cc[nH]c1 WXVL_AK00588SC0013 [0,1,0,0,0,0|2,0,0]=3 305 B12R1.35 CCCCNC(=O)c1cc[nH]c1 WXVL_AK00588SC0013 [0,1,0,0,0,0|2,0,0]=3 306 B12R1.35 CCCCNC(=O)c1cc[nH]n1 WXVL_AK00588SC0003 [0,1,0,0,0,0|2,0,0]=3 307 B12R1.35 CCCCNC(=O)c1cc[nH]n1 WXVL_AK00588SC0003 [0,1,0,0,0,0|2,0,0]=3 308 B12R1.35 CCCCNC(=O)c1ccco1 WXVL_AK00588SC0049 [0,1,0,0,0,0|0,0,0]=1 309 B12R1.35 CCCCNC(=O)c1ccco1 WXVL_AK00588SC0049 [0,1,0,0,0,0|0,0,0]=1 310 B12R1.35 CCCCNC(=O)c1cccs1 WXVL_AK00588SC0051 [0,1,0,0,0,0|0,1,0]=2 311 B12R1.35 CCCCNC(=O)c1cccs1 WXVL_AK00588SC0051 [0,1,0,0,0,0|0,1,0]=2 312 B12R1.35 CCCCNC(=O)c1ccno1 WXVL_AK00588SC0080 [0,1,0,0,0,0|1,0,0]=2 313 B12R1.35 CCCCNC(=O)c1ccno1 WXVL_AK00588SC0080 [0,1,0,0,0,0|1,0,0]=2 314 B12R1.35 CCCCNC(=O)c1ccns1 WXVL_AK00588SC0027 [0,1,0,0,0,0|1,1,0]=3 315 B12R1.35 CCCCNC(=O)c1ccns1 WXVL_AK00588SC0027 [0,1,0,0,0,0|1,1,0]=3 316 B12R1.35 CCCCNC(=O)c1ccoc1 WXVL_AK00588SC0050 [0,1,0,0,0,0|2,0,0]=3 317 B12R1.35 CCCCNC(=O)c1ccoc1 WXVL_AK00588SC0050 [0,1,0,0,0,0|2,0,0]=3 318 B12R1.35 CCCCNC(=O)c1ccon1 WXVL_AK00588SC0116 [0,1,0,0,0,0|2,0,0]=3 319 B12R1.35 CCCCNC(=O)c1ccon1 WXVL_AK00588SC0116 [0,1,0,0,0,0|2,0,0]=3 320 B12R1.35 CCCCNC(=O)c1ccsc1 WXVL_AK00588SC0054 [0,1,0,0,0,0|2,0,0]=3 321 B12R1.35 CCCCNC(=O)c1ccsc1 WXVL_AK00588SC0054 [0,1,0,0,0,0|2,0,0]=3 322 B12R1.35 CCCCNC(=O)c1ccsn1 WXVL_AK00588SC0764 [0,1,0,0,0,0|2,0,0]=3 323 B12R1.35 CCCCNC(=O)c1ccsn1 WXVL_AK00588SC0764 [0,1,0,0,0,0|2,0,0]=3 324 B12R1.35 CCCCNC(=O)c1cn[nH]c1 WXVL_AK00588SC0254 [0,1,0,0,0,0|3,0,0]=4 325 B12R1.35 CCCCNC(=O)c1cn[nH]c1 WXVL_AK00588SC0254 [0,1,0,0,0,0|3,0,0]=4 326 B12R1.35 CCCCNC(=O)c1cnc[nH]1 WXVL_AK00588SC0247 [0,1,0,0,0,0|2,0,0]=3 327 B12R1.35 CCCCNC(=O)c1cnc[nH]1 WXVL_AK00588SC0247 [0,1,0,0,0,0|2,0,0]=3 328 B12R1.35 CCCCNC(=O)c1cnco1 WXVL_AK00588SC0018 [0,1,0,0,0,0|1,0,0]=2 329 B12R1.35 CCCCNC(=O)c1cnco1 WXVL_AK00588SC0018 [0,1,0,0,0,0|1,0,0]=2 330 B12R1.35 CCCCNC(=O)c1cncs1 WXVL_AK00588SC0113 [0,1,0,0,0,0|1,1,0]=3 331 B12R1.35 CCCCNC(=O)c1cncs1 WXVL_AK00588SC0113 [0,1,0,0,0,0|1,1,0]=3 332 B12R1.35 CCCCNC(=O)c1cnon1 WXVL_AK00588SC0777 [0,1,0,0,0,0|3,0,0]=4 333 B12R1.35 CCCCNC(=O)c1cnon1 WXVL_AK00588SC0777 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.35 CCCCNC(=O)c1cnsn1 WXVL_AK00588SC1291 [0,1,0,0,0,0|3,0,0]=4 335 B12R1.35 CCCCNC(=O)c1cnsn1 WXVL_AK00588SC1291 [0,1,0,0,0,0|3,0,0]=4 336 B12R1.35 CCCCNC(=O)c1cocn1 WXVL_AK00588SC0118 [0,1,0,0,0,0|2,0,0]=3 337 B12R1.35 CCCCNC(=O)c1cocn1 WXVL_AK00588SC0118 [0,1,0,0,0,0|2,0,0]=3 338 B12R1.35 CCCCNC(=O)c1cscn1 WXVL_AK00588SC0092 [0,1,0,0,0,0|2,0,0]=3 339 B12R1.35 CCCCNC(=O)c1cscn1 WXVL_AK00588SC0092 [0,1,0,0,0,0|2,0,0]=3 340 B12R1.35 CCCCNC(=O)c1csnn1 WXVL_AK00588SC0002 [0,1,0,0,0,0|3,0,0]=4 341 B12R1.35 CCCCNC(=O)c1csnn1 WXVL_AK00588SC0002 [0,1,0,0,0,0|3,0,0]=4 342 B12R1.35 CCCCNC(=O)c1nc[nH]n1 WXVL_AK00588SC0376 [0,1,0,0,0,0|3,0,0]=4 343 B12R1.35 CCCCNC(=O)c1nc[nH]n1 WXVL_AK00588SC0376 [0,1,0,0,0,0|3,0,0]=4 344 B12R1.35 CCCCNC(=O)c1nccs1 WXVL_AK00588SC0110 [0,1,0,0,0,0|1,1,0]=3 345 B12R1.35 CCCCNC(=O)c1nccs1 WXVL_AK00588SC0110 [0,1,0,0,0,0|1,1,0]=3 346 B12R1.35 CCCCNC(=O)c1nnc[nH]1 WXVL_AK00588SC00053 [0,1,0,0,0,0|3,0,0]=4 347 B12R1.35 CCCCNC(=O)c1nnc[nH]1 WXVL_AK00588SC00053 [0,1,0,0,0,0|3,0,0]=4 348 B12R1.35 CSCCNC(=O)c1c[nH]cn1 WXVL_AK00440SC0074 [0,1,0,0,0,0|3,0,0]=4 349 B12R1.35 CSCCNC(=O)c1c[nH]cn1 WXVL_AK00440SC0074 [0,1,0,0,0,0|3,0,0]=4 350 B12R1.35 CSCCNC(=O)c1cc[nH]c1 WXVL_AK00440SC0013 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.35 CSCCNC(=O)c1cc[nH]c1 WXVL_AK00440SC0013 [0,1,0,0,0,0|3,0,0]=4 352 B12R1.35 CSCCNC(=O)c1cc[nH]n1 WXVL_AK00440SC0003 [0,1,0,0,0,0|3,0,0]=4 353 B12R1.35 CSCCNC(=O)c1cc[nH]n1 WXVL_AK00440SC0003 [0,1,0,0,0,0|3,0,0]=4 354 B12R1.35 CSCCNC(=O)c1ccco1 WXVL_AK00440SC0049 [0,1,0,0,0,0|1,0,0]=2 355 B12R1.35 CSCCNC(=O)c1ccco1 WXVL_AK00440SC0049 [0,1,0,0,0,0|1,0,0]=2 356 B12R1.35 CSCCNC(=O)c1cccs1 WXVL_AK00440SC0051 [0,1,0,0,0,0|1,1,0]=3 357 B12R1.35 CSCCNC(=O)c1cccs1 WXVL_AK00440SC0051 [0,1,0,0,0,0|1,1,0]=3 358 B12R1.35 CSCCNC(=O)c1ccno1 WXVL_AK00440SC0080 [0,1,0,0,0,0|2,0,0]=3 359 B12R1.35 CSCCNC(=O)c1ccno1 WXVL_AK00440SC0080 [0,1,0,0,0,0|2,0,0]=3 360 B12R1.35 CSCCNC(=O)c1ccns1 WXVL_AK00440SC0027 [0,1,0,0,0,0|2,1,0]=4 361 B12R1.35 CSCCNC(=O)c1ccns1 WXVL_AK00440SC0027 [0,1,0,0,0,0|2,1,0]=4 362 B12R1.35 CSCCNC(=O)c1ccoc1 WXVL_AK00440SC0050 [0,1,0,0,0,0|3,0,0]=4 363 B12R1.35 CSCCNC(=O)c1ccoc1 WXVL_AK00440SC0050 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.35 CSCCNC(=O)c1ccon1 WXVL_AK00440SC0116 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.35 CSCCNC(=O)c1ccon1 WXVL_AK00440SC0116 [0,1,0,0,0,0|3,0,0]=4 366 B12R1.35 CSCCNC(=O)c1ccsc1 WXVL_AK00440SC0054 [0,1,0,0,0,0|3,0,0]=4 367 B12R1.35 CSCCNC(=O)c1ccsc1 WXVL_AK00440SC0054 [0,1,0,0,0,0|3,0,0]=4 368 B12R1.35 CSCCNC(=O)c1ccsn1 WXVL_AK00440SC0764 [0,1,0,0,0,0|3,0,0]=4 369 B12R1.35 CSCCNC(=O)c1ccsn1 WXVL_AK00440SC0764 [0,1,0,0,0,0|3,0,0]=4 370 B12R1.35 CSCCNC(=O)c1cnc[nH]1 WXVL_AK00440SC0247 [0,1,0,0,0,0|3,0,0]=4 371 B12R1.35 CSCCNC(=O)c1cnc[nH]1 WXVL_AK00440SC0247 [0,1,0,0,0,0|3,0,0]=4 372 B12R1.35 CSCCNC(=O)c1cnco1 WXVL_AK00440SC0018 [0,1,0,0,0,0|2,0,0]=3 373 B12R1.35 CSCCNC(=O)c1cnco1 WXVL_AK00440SC0018 [0,1,0,0,0,0|2,0,0]=3 374 B12R1.35 CSCCNC(=O)c1cncs1 WXVL_AK00440SC0113 [0,1,0,0,0,0|2,1,0]=4 375 B12R1.35 CSCCNC(=O)c1cncs1 WXVL_AK00440SC0113 [0,1,0,0,0,0|2,1,0]=4 376 B12R1.35 CSCCNC(=O)c1cocn1 WXVL_AK00440SC0118 [0,1,0,0,0,0|3,0,0]=4 377 B12R1.35 CSCCNC(=O)c1cocn1 WXVL_AK00440SC0118 [0,1,0,0,0,0|3,0,0]=4 378 B12R1.35 CSCCNC(=O)c1cscn1 WXVL_AK00440SC0092 [0,1,0,0,0,0|3,0,0]=4 379 B12R1.35 CSCCNC(=O)c1cscn1 WXVL_AK00440SC0092 [0,1,0,0,0,0|3,0,0]=4 380 B12R1.35 CSCCNC(=O)c1nccs1 WXVL_AK00440SC0110 [0,1,0,0,0,0|2,1,0]=4 381 B12R1.35 CSCCNC(=O)c1nccs1 WXVL_AK00440SC0110 [0,1,0,0,0,0|2,1,0]=4 382 B12R1.35 N#CCCNC(=O)c1ccco1 WXVL_AK0087SC0049 [0,1,0,0,0,0|1,0,1]=3 383 B12R1.35 N#CCCNC(=O)c1ccco1 WXVL_AK0087SC0049 [0,1,0,0,0,0|1,0,1]=3 384 B12R1.35 N#CCCNC(=O)c1cccs1 WXVL_AK0087SC0051 [0,1,0,0,0,0|1,1,1]=4 385 B12R1.35 N#CCCNC(=O)c1cccs1 WXVL_AK0087SC0051 [0,1,0,0,0,0|1,1,1]=4 386 B12R1.35 N#CCCNC(=O)c1ccno1 WXVL_AK0087SC0080 [0,1,0,0,0,0|2,0,1]=4 387 B12R1.35 N#CCCNC(=O)c1ccno1 WXVL_AK0087SC0080 [0,1,0,0,0,0|2,0,1]=4 388 B12R1.35 N#CCCNC(=O)c1cnco1 WXVL_AK0087SC0018 [0,1,0,0,0,0|2,0,1]=4 389 B12R1.35 N#CCCNC(=O)c1cnco1 WXVL_AK0087SC0018 [0,1,0,0,0,0|2,0,1]=4 390 B12R1.35 O=C(NCCCO)c1c[nH]cn1 WXVL_AK0073SC0074 [0,1,0,0,0,0|3,0,0]=4 391 B12R1.35 O=C(NCCCO)c1c[nH]cn1 WXVL_AK0073SC0074 [0,1,0,0,0,0|3,0,0]=4 392 B12R1.35 O=C(NCCCO)c1cc[nH]c1 WXVL_AK0073SC0013 [0,1,0,0,0,0|3,0,0]=4 393 B12R1.35 O=C(NCCCO)c1cc[nH]c1 WXVL_AK0073SC0013 [0,1,0,0,0,0|3,0,0]=4 394 B12R1.35 O=C(NCCCO)c1cc[nH]n1 WXVL_AK0073SC0003 [0,1,0,0,0,0|3,0,0]=4 395 B12R1.35 O=C(NCCCO)c1cc[nH]n1 WXVL_AK0073SC0003 [0,1,0,0,0,0|3,0,0]=4 396 B12R1.35 O=C(NCCCO)c1ccco1 WXVL_AK0073SC0049 [0,1,0,0,0,0|1,0,0]=2 397 B12R1.35 O=C(NCCCO)c1ccco1 WXVL_AK0073SC0049 [0,1,0,0,0,0|1,0,0]=2 398 B12R1.35 O=C(NCCCO)c1cccs1 WXVL_AK0073SC0051 [0,1,0,0,0,0|1,1,0]=3 399 B12R1.35 O=C(NCCCO)c1cccs1 WXVL_AK0073SC0051 [0,1,0,0,0,0|1,1,0]=3 400 B12R1.35 O=C(NCCCO)c1ccno1 WXVL_AK0073SC0080 [0,1,0,0,0,0|2,0,0]=3 401 B12R1.35 O=C(NCCCO)c1ccno1 WXVL_AK0073SC0080 [0,1,0,0,0,0|2,0,0]=3 402 B12R1.35 O=C(NCCCO)c1ccns1 WXVL_AK0073SC0027 [0,1,0,0,0,0|2,1,0]=4 403 B12R1.35 O=C(NCCCO)c1ccns1 WXVL_AK0073SC0027 [0,1,0,0,0,0|2,1,0]=4 404 B12R1.35 O=C(NCCCO)c1ccoc1 WXVL_AK0073SC0050 [0,1,0,0,0,0|3,0,0]=4 405 B12R1.35 O=C(NCCCO)c1ccoc1 WXVL_AK0073SC0050 [0,1,0,0,0,0|3,0,0]=4 406 B12R1.35 O=C(NCCCO)c1ccon1 WXVL_AK0073SC0116 [0,1,0,0,0,0|3,0,0]=4 407 B12R1.35 O=C(NCCCO)c1ccon1 WXVL_AK0073SC0116 [0,1,0,0,0,0|3,0,0]=4 408 B12R1.35 O=C(NCCCO)c1ccsc1 WXVL_AK0073SC0054 [0,1,0,0,0,0|3,0,0]=4 409 B12R1.35 O=C(NCCCO)c1ccsc1 WXVL_AK0073SC0054 [0,1,0,0,0,0|3,0,0]=4 410 B12R1.35 O=C(NCCCO)c1ccsn1 WXVL_AK0073SC0764 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.35 O=C(NCCCO)c1ccsn1 WXVL_AK0073SC0764 [0,1,0,0,0,0|3,0,0]=4 412 B12R1.35 O=C(NCCCO)c1cnc[nH]1 WXVL_AK0073SC0247 [0,1,0,0,0,0|3,0,0]=4 413 B12R1.35 O=C(NCCCO)c1cnc[nH]1 WXVL_AK0073SC0247 [0,1,0,0,0,0|3,0,0]=4 414 B12R1.35 O=C(NCCCO)c1cnco1 WXVL_AK0073SC0018 [0,1,0,0,0,0|2,0,0]=3 415 B12R1.35 O=C(NCCCO)c1cnco1 WXVL_AK0073SC0018 [0,1,0,0,0,0|2,0,0]=3 416 B12R1.35 O=C(NCCCO)c1cncs1 WXVL_AK0073SC0113 [0,1,0,0,0,0|2,1,0]=4 417 B12R1.35 O=C(NCCCO)c1cncs1 WXVL_AK0073SC0113 [0,1,0,0,0,0|2,1,0]=4 418 B12R1.35 O=C(NCCCO)c1cocn1 WXVL_AK0073SC0118 [0,1,0,0,0,0|3,0,0]=4 419 B12R1.35 O=C(NCCCO)c1cocn1 WXVL_AK0073SC0118 [0,1,0,0,0,0|3,0,0]=4 420 B12R1.35 O=C(NCCCO)c1cscn1 WXVL_AK0073SC0092 [0,1,0,0,0,0|3,0,0]=4 421 B12R1.35 O=C(NCCCO)c1cscn1 WXVL_AK0073SC0092 [0,1,0,0,0,0|3,0,0]=4 422 B12R1.35 O=C(NCCCO)c1nccs1 WXVL_AK0073SC0110 [0,1,0,0,0,0|2,1,0]=4 423 B12R1.35 O=C(NCCCO)c1nccs1 WXVL_AK0073SC0110 [0,1,0,0,0,0|2,1,0]=4 424 B12R1.54 C=C(C)CNC(=O)c1ccco1 WXVL_AK0761SC0049 [0,1,0,0,0,0|1,0,1]=3 425 B12R1.54 C=C(C)CNC(=O)c1ccco1 WXVL_AK0761SC0049 [0,1,0,0,0,0|1,0,1]=3 426 B12R1.54 C=C(C)CNC(=O)c1cccs1 WXVL_AK0761SC0051 [0,1,0,0,0,0|1,1,1]=4 427 B12R1.54 C=C(C)CNC(=O)c1cccs1 WXVL_AK0761SC0051 [0,1,0,0,0,0|1,1,1]=4 428 B12R1.54 C=C(C)CNC(=O)c1ccno1 WXVL_AK0761SC0080 [0,1,0,0,0,0|2,0,1]=4 429 B12R1.54 C=C(C)CNC(=O)c1ccno1 WXVL_AK0761SC0080 [0,1,0,0,0,0|2,0,1]=4 430 B12R1.54 C=C(C)CNC(=O)c1cnco1 WXVL_AK0761SC0018 [0,1,0,0,0,0|2,0,1]=4 431 B12R1.54 C=C(C)CNC(=O)c1cnco1 WXVL_AK0761SC0018 [0,1,0,0,0,0|2,0,1]=4 432 B12R1.54 CC(C)CNC(=O)c1c[nH]cn1 WXVL_AK00544SC0074 [0,1,0,0,0,0|3,0,0]=4 433 B12R1.54 CC(C)CNC(=O)c1c[nH]cn1 WXVL_AK00544SC0074 [0,1,0,0,0,0|3,0,0]=4 434 B12R1.54 CC(C)CNC(=O)c1cc[nH]c1 WXVL_AK00544SC0013 [0,1,0,0,0,0|3,0,0]=4 435 B12R1.54 CC(C)CNC(=O)c1cc[nH]c1 WXVL_AK00544SC0013 [0,1,0,0,0,0|3,0,0]=4 436 B12R1.54 CC(C)CNC(=O)c1cc[nH]n1 WXVL_AK00544SC0003 [0,1,0,0,0,0|3,0,0]=4 437 B12R1.54 CC(C)CNC(=O)c1cc[nH]n1 WXVL_AK00544SC0003 [0,1,0,0,0,0|3,0,0]=4 438 B12R1.54 CC(C)CNC(=O)c1ccco1 WXVL_AK00544SC0049 [0,1,0,0,0,0|1,0,0]=2 439 B12R1.54 CC(C)CNC(=O)c1ccco1 WXVL_AK00544SC0049 [0,1,0,0,0,0|1,0,0]=2 440 B12R1.54 CC(C)CNC(=O)c1cccs1 WXVL_AK00544SC0051 [0,1,0,0,0,0|1,1,0]=3 441 B12R1.54 CC(C)CNC(=O)c1cccs1 WXVL_AK00544SC0051 [0,1,0,0,0,0|1,1,0]=3 442 B12R1.54 CC(C)CNC(=O)c1ccno1 WXVL_AK00544SC0080 [0,1,0,0,0,0|2,0,0]=3 443 B12R1.54 CC(C)CNC(=O)c1ccno1 WXVL_AK00544SC0080 [0,1,0,0,0,0|2,0,0]=3 444 B12R1.54 CC(C)CNC(=O)c1ccns1 WXVL_AK00544SC0027 [0,1,0,0,0,0|2,1,0]=4 445 B12R1.54 CC(C)CNC(=O)c1ccns1 WXVL_AK00544SC0027 [0,1,0,0,0,0|2,1,0]=4 446 B12R1.54 CC(C)CNC(=O)c1ccoc1 WXVL_AK00544SC0050 [0,1,0,0,0,0|3,0,0]=4 447 B12R1.54 CC(C)CNC(=O)c1ccoc1 WXVL_AK00544SC0050 [0,1,0,0,0,0|3,0,0]=4 448 B12R1.54 CC(C)CNC(=O)c1ccon1 WXVL_AK00544SC0116 [0,1,0,0,0,0|3,0,0]=4 449 B12R1.54 CC(C)CNC(=O)c1ccon1 WXVL_AK00544SC0116 [0,1,0,0,0,0|3,0,0]=4 450 B12R1.54 CC(C)CNC(=O)c1ccsc1 WXVL_AK00544SC0054 [0,1,0,0,0,0|3,0,0]=4 451 B12R1.54 CC(C)CNC(=O)c1ccsc1 WXVL_AK00544SC0054 [0,1,0,0,0,0|3,0,0]=4 452 B12R1.54 CC(C)CNC(=O)c1ccsn1 WXVL_AK00544SC0764 [0,1,0,0,0,0|3,0,0]=4 453 B12R1.54 CC(C)CNC(=O)c1ccsn1 WXVL_AK00544SC0764 [0,1,0,0,0,0|3,0,0]=4 454 B12R1.54 CC(C)CNC(=O)c1cnc[nH]1 WXVL_AK00544SC0247 [0,1,0,0,0,0|3,0,0]=4 455 B12R1.54 CC(C)CNC(=O)c1cnc[nH]1 WXVL_AK00544SC0247 [0,1,0,0,0,0|3,0,0]=4 456 B12R1.54 CC(C)CNC(=O)c1cnco1 WXVL_AK00544SC0018 [0,1,0,0,0,0|2,0,0]=3 457 B12R1.54 CC(C)CNC(=O)c1cnco1 WXVL_AK00544SC0018 [0,1,0,0,0,0|2,0,0]=3 458 B12R1.54 CC(C)CNC(=O)c1cncs1 WXVL_AK00544SC0113 [0,1,0,0,0,0|2,1,0]=4 459 B12R1.54 CC(C)CNC(=O)c1cncs1 WXVL_AK00544SC0113 [0,1,0,0,0,0|2,1,0]=4 460 B12R1.54 CC(C)CNC(=O)c1cocn1 WXVL_AK00544SC0118 [0,1,0,0,0,0|3,0,0]=4 461 B12R1.54 CC(C)CNC(=O)c1cocn1 WXVL_AK00544SC0118 [0,1,0,0,0,0|3,0,0]=4 462 B12R1.54 CC(C)CNC(=O)c1cscn1 WXVL_AK00544SC0092 [0,1,0,0,0,0|3,0,0]=4 463 B12R1.54 CC(C)CNC(=O)c1cscn1 WXVL_AK00544SC0092 [0,1,0,0,0,0|3,0,0]=4 464 B12R1.54 CC(C)CNC(=O)c1nccs1 WXVL_AK00544SC0110 [0,1,0,0,0,0|2,1,0]=4 465 B12R1.54 CC(C)CNC(=O)c1nccs1 WXVL_AK00544SC0110 [0,1,0,0,0,0|2,1,0]=4 466 B12R1.54 CC(O)CNC(=O)c1c[nH]cn1 WXVL_AK0052SC0074 [0,1,0,0,0,0|3,0,0]=4 467 B12R1.54 CC(O)CNC(=O)c1c[nH]cn1 WXVL_AK0052SC0074 [0,1,0,0,0,0|3,0,0]=4 468 B12R1.54 CC(O)CNC(=O)c1cc[nH]c1 WXVL_AK0052SC0013 [0,1,0,0,0,0|3,0,0]=4 469 B12R1.54 CC(O)CNC(=O)c1cc[nH]c1 WXVL_AK0052SC0013 [0,1,0,0,0,0|3,0,0]=4 470 B12R1.54 CC(O)CNC(=O)c1cc[nH]n1 WXVL_AK0052SC0003 [0,1,0,0,0,0|3,0,0]=4 471 B12R1.54 CC(O)CNC(=O)c1cc[nH]n1 WXVL_AK0052SC0003 [0,1,0,0,0,0|3,0,0]=4 472 B12R1.54 CC(O)CNC(=O)c1ccco1 WXVL_AK0052SC0049 [0,1,0,0,0,0|1,0,0]=2 473 B12R1.54 CC(O)CNC(=O)c1ccco1 WXVL_AK0052SC0049 [0,1,0,0,0,0|1,0,0]=2 474 B12R1.54 CC(O)CNC(=O)c1cccs1 WXVL_AK0052SC0051 [0,1,0,0,0,0|1,1,0]=3 475 B12R1.54 CC(O)CNC(=O)c1cccs1 WXVL_AK0052SC0051 [0,1,0,0,0,0|1,1,0]=3 476 B12R1.54 CC(O)CNC(=O)c1ccno1 WXVL_AK0052SC0080 [0,1,0,0,0,0|2,0,0]=3 477 B12R1.54 CC(O)CNC(=O)c1ccno1 WXVL_AK0052SC0080 [0,1,0,0,0,0|2,0,0]=3 478 B12R1.54 CC(O)CNC(=O)c1ccns1 WXVL_AK0052SC0027 [0,1,0,0,0,0|2,1,0]=4 479 B12R1.54 CC(O)CNC(=O)c1ccns1 WXVL_AK0052SC0027 [0,1,0,0,0,0|2,1,0]=4 480 B12R1.54 CC(O)CNC(=O)c1ccoc1 WXVL_AK0052SC0050 [0,1,0,0,0,0|3,0,0]=4 481 B12R1.54 CC(O)CNC(=O)c1ccoc1 WXVL_AK0052SC0050 [0,1,0,0,0,0|3,0,0]=4 482 B12R1.54 CC(O)CNC(=O)c1ccon1 WXVL_AK0052SC0116 [0,1,0,0,0,0|3,0,0]=4 483 B12R1.54 CC(O)CNC(=O)c1ccon1 WXVL_AK0052SC0116 [0,1,0,0,0,0|3,0,0]=4 484 B12R1.54 CC(O)CNC(=O)c1ccsc1 WXVL_AK0052SC0054 [0,1,0,0,0,0|3,0,0]=4 485 B12R1.54 CC(O)CNC(=O)c1ccsc1 WXVL_AK0052SC0054 [0,1,0,0,0,0|3,0,0]=4 486 B12R1.54 CC(O)CNC(=O)c1ccsn1 WXVL_AK0052SC0764 [0,1,0,0,0,0|3,0,0]=4 487 B12R1.54 CC(O)CNC(=O)c1ccsn1 WXVL_AK0052SC0764 [0,1,0,0,0,0|3,0,0]=4 488 B12R1.54 CC(O)CNC(=O)c1cnc[nH]1 WXVL_AK0052SC0247 [0,1,0,0,0,0|3,0,0]=4 489 B12R1.54 CC(O)CNC(=O)c1cnc[nH]1 WXVL_AK0052SC0247 [0,1,0,0,0,0|3,0,0]=4 490 B12R1.54 CC(O)CNC(=O)c1cnco1 WXVL_AK0052SC0018 [0,1,0,0,0,0|2,0,0]=3 491 B12R1.54 CC(O)CNC(=O)c1cnco1 WXVL_AK0052SC0018 [0,1,0,0,0,0|2,0,0]=3 492 B12R1.54 CC(O)CNC(=O)c1cncs1 WXVL_AK0052SC0113 [0,1,0,0,0,0|2,1,0]=4 493 B12R1.54 CC(O)CNC(=O)c1cncs1 WXVL_AK0052SC0113 [0,1,0,0,0,0|2,1,0]=4 494 B12R1.54 CC(O)CNC(=O)c1cocn1 WXVL_AK0052SC0118 [0,1,0,0,0,0|3,0,0]=4 495 B12R1.54 CC(O)CNC(=O)c1cocn1 WXVL_AK0052SC0118 [0,1,0,0,0,0|3,0,0]=4 496 B12R1.54 CC(O)CNC(=O)c1cscn1 WXVL_AK0052SC0092 [0,1,0,0,0,0|3,0,0]=4 497 B12R1.54 CC(O)CNC(=O)c1cscn1 WXVL_AK0052SC0092 [0,1,0,0,0,0|3,0,0]=4 498 B12R1.54 CC(O)CNC(=O)c1nccs1 WXVL_AK0052SC0110 [0,1,0,0,0,0|2,1,0]=4 499 B12R1.54 CC(O)CNC(=O)c1nccs1 WXVL_AK0052SC0110 [0,1,0,0,0,0|2,1,0]=4 500 B12R1.54 C[C@H](O)CNC(=O)c1c[nH]cn1 WXVL_AK0113SC0074 [0,1,0,0,0,0|3,0,0]=4 501 B12R1.54 C[C@H](O)CNC(=O)c1c[nH]cn1 WXVL_AK0113SC0074 [0,1,0,0,0,0|3,0,0]=4 502 B12R1.54 C[C@H](O)CNC(=O)c1cc[nH]c1 WXVL_AK0113SC0013 [0,1,0,0,0,0|3,0,0]=4 503 B12R1.54 C[C@H](O)CNC(=O)c1cc[nH]c1 WXVL_AK0113SC0013 [0,1,0,0,0,0|3,0,0]=4 504 B12R1.54 C[C@H](O)CNC(=O)c1cc[nH]n1 WXVL_AK0113SC0003 [0,1,0,0,0,0|3,0,0]=4 505 B12R1.54 C[C@H](O)CNC(=O)c1cc[nH]n1 WXVL_AK0113SC0003 [0,1,0,0,0,0|3,0,0]=4 506 B12R1.54 C[C@H](O)CNC(=O)c1ccco1 WXVL_AK0113SC0049 [0,1,0,0,0,0|1,0,0]=2 507 B12R1.54 C[C@H](O)CNC(=O)c1ccco1 WXVL_AK0113SC0049 [0,1,0,0,0,0|1,0,0]=2 508 B12R1.54 C[C@H](O)CNC(=O)c1cccs1 WXVL_AK0113SC0051 [0,1,0,0,0,0|1,1,0]=3 509 B12R1.54 C[C@H](O)CNC(=O)c1cccs1 WXVL_AK0113SC0051 [0,1,0,0,0,0|1,1,0]=3 510 B12R1.54 C[C@H](O)CNC(=O)c1ccno1 WXVL_AK0113SC0080 [0,1,0,0,0,0|2,0,0]=3 511 B12R1.54 C[C@H](O)CNC(=O)c1ccno1 WXVL_AK0113SC0080 [0,1,0,0,0,0|2,0,0]=3 512 B12R1.54 C[C@H](O)CNC(=O)c1ccns1 WXVL_AK0113SC0027 [0,1,0,0,0,0|2,1,0]=4 513 B12R1.54 C[C@H](O)CNC(=O)c1ccns1 WXVL_AK0113SC0027 [0,1,0,0,0,0|2,1,0]=4 514 B12R1.54 C[C@H](O)CNC(=O)c1ccoc1 WXVL_AK0113SC0050 [0,1,0,0,0,0|3,0,0]=4 515 B12R1.54 C[C@H](O)CNC(=O)c1ccoc1 WXVL_AK0113SC0050 [0,1,0,0,0,0|3,0,0]=4 516 B12R1.54 C[C@H](O)CNC(=O)c1ccon1 WXVL_AK0113SC0116 [0,1,0,0,0,0|3,0,0]=4 517 B12R1.54 C[C@H](O)CNC(=O)c1ccon1 WXVL_AK0113SC0116 [0,1,0,0,0,0|3,0,0]=4 518 B12R1.54 C[C@H](O)CNC(=O)c1ccsc1 WXVL_AK0113SC0054 [0,1,0,0,0,0|3,0,0]=4 519 B12R1.54 C[C@H](O)CNC(=O)c1ccsc1 WXVL_AK0113SC0054 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.54 C[C@H](O)CNC(=O)c1ccsn1 WXVL_AK0113SC0764 [0,1,0,0,0,0|3,0,0]=4 521 B12R1.54 C[C@H](O)CNC(=O)c1ccsn1 WXVL_AK0113SC0764 [0,1,0,0,0,0|3,0,0]=4 522 B12R1.54 C[C@H](O)CNC(=O)c1cnc[nH]1 WXVL_AK0113SC0247 [0,1,0,0,0,0|3,0,0]=4 523 B12R1.54 C[C@H](O)CNC(=O)c1cnc[nH]1 WXVL_AK0113SC0247 [0,1,0,0,0,0|3,0,0]=4 524 B12R1.54 C[C@H](O)CNC(=O)c1cnco1 WXVL_AK0113SC0018 [0,1,0,0,0,0|2,0,0]=3 525 B12R1.54 C[C@H](O)CNC(=O)c1cnco1 WXVL_AK0113SC0018 [0,1,0,0,0,0|2,0,0]=3 526 B12R1.54 C[C@H](O)CNC(=O)c1cncs1 WXVL_AK0113SC0113 [0,1,0,0,0,0|2,1,0]=4 527 B12R1.54 C[C@H](O)CNC(=O)c1cncs1 WXVL_AK0113SC0113 [0,1,0,0,0,0|2,1,0]=4 528 B12R1.54 C[C@H](O)CNC(=O)c1cocn1 WXVL_AK0113SC0118 [0,1,0,0,0,0|3,0,0]=4 529 B12R1.54 C[C@H](O)CNC(=O)c1cocn1 WXVL_AK0113SC0118 [0,1,0,0,0,0|3,0,0]=4 530 B12R1.54 C[C@H](O)CNC(=O)c1cscn1 WXVL_AK0113SC0092 [0,1,0,0,0,0|3,0,0]=4 531 B12R1.54 C[C@H](O)CNC(=O)c1cscn1 WXVL_AK0113SC0092 [0,1,0,0,0,0|3,0,0]=4 532 B12R1.54 C[C@H](O)CNC(=O)c1nccs1 WXVL_AK0113SC0110 [0,1,0,0,0,0|2,1,0]=4 533 B12R1.54 C[C@H](O)CNC(=O)c1nccs1 WXVL_AK0113SC0110 [0,1,0,0,0,0|2,1,0]=4 534 B12R1.54 NC(=O)CNC(=O)c1ccco1 WXVL_AK0147SC0049 [0,1,0,0,0,0|2,0,1]=4 535 B12R1.54 NC(=O)CNC(=O)c1ccco1 WXVL_AK0147SC0049 [0,1,0,0,0,0|2,0,1]=4 536 B12R1.54 O=C(NCC(F)F)c1ccco1 WXVL_AK0136SC0049 [0,1,0,0,0,0|2,0,0]=3 537 B12R1.54 O=C(NCC(F)F)c1ccco1 WXVL_AK0136SC0049 [0,1,0,0,0,0|2,0,0]=3 538 B12R1.54 O=C(NCC(F)F)c1cccs1 WXVL_AK0136SC0051 [0,1,0,0,0,0|2,1,0]=4 539 B12R1.54 O=C(NCC(F)F)c1cccs1 WXVL_AK0136SC0051 [0,1,0,0,0,0|2,1,0]=4 540 B12R1.54 O=C(NCC(F)F)c1ccno1 WXVL_AK0136SC0080 [0,1,0,0,0,0|3,0,0]=4 541 B12R1.54 O=C(NCC(F)F)c1ccno1 WXVL_AK0136SC0080 [0,1,0,0,0,0|3,0,0]=4 542 B12R1.54 O=C(NCC(F)F)c1cnco1 WXVL_AK0136SC0018 [0,1,0,0,0,0|3,0,0]=4 543 B12R1.54 O=C(NCC(F)F)c1cnco1 WXVL_AK0136SC0018 [0,1,0,0,0,0|3,0,0]=4 544 B12R1.55 CCNC(=O)C(=O)c1ccco1 WXVL_AK00476SA0049 [0,1,0,0,0,0|1,0,1]=3 545 B12R1.55 CCNC(=O)C(=O)c1ccco1 WXVL_AK00476SA0049 [0,1,0,0,0,0|1,0,1]=3 546 B12R1.55 CN(CC#N)C(=O)c1ccco1 WXVL_AN2942SC0049 [0,1,0,0,0,0|2,0,1]=4 547 B12R1.55 CN(CC#N)C(=O)c1ccco1 WXVL_AN2942SC0049 [0,1,0,0,0,0|2,0,1]=4 548 B12R1.55 CN(CCO)C(=O)c1ccco1 WXVL_AN2670SC0049 [0,1,0,0,0,0|2,0,0]=3 549 B12R1.55 CN(CCO)C(=O)c1ccco1 WXVL_AN2670SC0049 [0,1,0,0,0,0|2,0,0]=3 550 B12R1.55 CN(CCO)C(=O)c1cccs1 WXVL_AN2670SC0051 [0,1,0,0,0,0|2,1,0]=4 551 B12R1.55 CN(CCO)C(=O)c1cccs1 WXVL_AN2670SC0051 [0,1,0,0,0,0|2,1,0]=4 552 B12R1.55 CN(CCO)C(=O)c1ccno1 WXVL_AN2670SC0080 [0,1,0,0,0,0|3,0,0]=4 553 B12R1.55 CN(CCO)C(=O)c1ccno1 WXVL_AN2670SC0080 [0,1,0,0,0,0|3,0,0]=4 554 B12R1.55 CN(CCO)C(=O)c1cnco1 WXVL_AN2670SC0018 [0,1,0,0,0,0|3,0,0]=4 555 B12R1.55 CN(CCO)C(=O)c1cnco1 WXVL_AN2670SC0018 [0,1,0,0,0,0|3,0,0]=4 556 B12R1.99 CCCNS(=O)(=O)c1cccs1 WXVL_AK00504HU0005 [0,1,0,0,0,0|2,1,0]=4 557 B12R1.99 CCCNS(=O)(=O)c1cccs1 WXVL_AK00504HU0005 [0,1,0,0,0,0|2,1,0]=4 558 B12R1.460 C=CCNC(=O)c1occc1Br WXVL_AK00561SC0241 [0,1,0,0,0,0|1,0,2]=4 559 B12R1.460 C=CCNC(=O)c1occc1Br WXVL_AK00561SC0241 [0,1,0,0,0,0|1,0,2]=4 560 B12R1.460 C=CCNC(=O)c1occc1C WXVL_AK00561SC0230 [0,1,0,0,0,0|1,0,2]=4 561 B12R1.460 C=CCNC(=O)c1occc1C WXVL_AK00561SC0230 [0,1,0,0,0,0|1,0,2]=4 562 B12R1.460 CCCNC(=O)c1[nH]ccc1C WXVL_AK00504SC1315 [0,1,0,0,0,0|2,0,0]=3 563 B12R1.460 CCCNC(=O)c1[nH]ccc1C WXVL_AK00504SC1315 [0,1,0,0,0,0|2,0,0]=3 564 B12R1.460 CCCNC(=O)c1[nH]cnc1C WXVL_AK00504SC0269 [0,1,0,0,0,0|3,0,0]=4 565 B12R1.460 CCCNC(=O)c1[nH]cnc1C WXVL_AK00504SC0269 [0,1,0,0,0,0|3,0,0]=4 566 B12R1.460 CCCNC(=O)c1c[nH]cc1C WXVL_AK00504SC0251 [0,1,0,0,0,0|3,0,0]=4 567 B12R1.460 CCCNC(=O)c1c[nH]cc1C WXVL_AK00504SC0251 [0,1,0,0,0,0|3,0,0]=4 568 B12R1.460 CCCNC(=O)c1ccnn1C WXVL_AK00504SC0090 [0,1,0,0,0,0|3,0,0]=4 569 B12R1.460 CCCNC(=O)c1ccnn1C WXVL_AK00504SC0090 [0,1,0,0,0,0|3,0,0]=4 570 B12R1.460 CCCNC(=O)c1ccsc1C WXVL_AK00504SC1037 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.460 CCCNC(=O)c1ccsc1C WXVL_AK00504SC1037 [0,1,0,0,0,0|3,0,0]=4 572 B12R1.460 CCCNC(=O)c1ccsc1Cl WXVL_AK00504SC0794 [0,1,0,0,0,0|3,0,0]=4 573 B12R1.460 CCCNC(=O)c1ccsc1Cl WXVL_AK00504SC0794 [0,1,0,0,0,0|3,0,0]=4 574 B12R1.460 CCCNC(=O)c1cncn1C WXVL_AK00504SC0099 [0,1,0,0,0,0|3,0,0]=4 575 B12R1.460 CCCNC(=O)c1cncn1C WXVL_AK00504SC0099 [0,1,0,0,0,0|3,0,0]=4 576 B12R1.460 CCCNC(=O)c1cscc1Br WXVL_AK00504SC1024 [0,1,0,0,0,0|3,0,0]=4 577 B12R1.460 CCCNC(=O)c1cscc1Br WXVL_AK00504SC1024 [0,1,0,0,0,0|3,0,0]=4 578 B12R1.460 CCCNC(=O)c1cscc1C WXVL_AK00504SC0257 [0,1,0,0,0,0|3,0,0]=4 579 B12R1.460 CCCNC(=O)c1cscc1C WXVL_AK00504SC0257 [0,1,0,0,0,0|3,0,0]=4 580 B12R1.460 CCCNC(=O)c1n[nH]cc1I WXVL_AK00504SC0442 [0,1,0,0,0,0|3,0,0]=4 581 B12R1.460 CCCNC(=O)c1n[nH]cc1I WXVL_AK00504SC0442 [0,1,0,0,0,0|3,0,0]=4 582 B12R1.460 CCCNC(=O)c1nccn1C WXVL_AK00504SC0106 [0,1,0,0,0,0|3,0,0]=4 583 B12R1.460 CCCNC(=O)c1nccn1C WXVL_AK00504SC0106 [0,1,0,0,0,0|3,0,0]=4 584 B12R1.460 CCCNC(=O)c1ncoc1C WXVL_AK00504SC0732 [0,1,0,0,0,0|3,0,0]=4 585 B12R1.460 CCCNC(=O)c1ncoc1C WXVL_AK00504SC0732 [0,1,0,0,0,0|3,0,0]=4 586 B12R1.460 CCCNC(=O)c1ncsc1Br WXVL_AK00504SC0192 [0,1,0,0,0,0|3,0,0]=4 587 B12R1.460 CCCNC(=O)c1ncsc1Br WXVL_AK00504SC0192 [0,1,0,0,0,0|3,0,0]=4 588 B12R1.460 CCCNC(=O)c1ncsc1C WXVL_AK00504SC0722 [0,1,0,0,0,0|3,0,0]=4 589 B12R1.460 CCCNC(=O)c1ncsc1C WXVL_AK00504SC0722 [0,1,0,0,0,0|3,0,0]=4 590 B12R1.460 CCCNC(=O)c1occc1Br WXVL_AK00504SC0241 [0,1,0,0,0,0|1,0,0]=2 591 B12R1.460 CCCNC(=O)c1occc1Br WXVL_AK00504SC0241 [0,1,0,0,0,0|1,0,0]=2 592 B12R1.460 CCCNC(=O)c1occc1C WXVL_AK00504SC0230 [0,1,0,0,0,0|1,0,0]=2 593 B12R1.460 CCCNC(=O)c1occc1C WXVL_AK00504SC0230 [0,1,0,0,0,0|1,0,0]=2 594 B12R1.460 CCCNC(=O)c1ocnc1C WXVL_AK00504SC0103 [0,1,0,0,0,0|2,0,0]=3 595 B12R1.460 CCCNC(=O)c1ocnc1C WXVL_AK00504SC0103 [0,1,0,0,0,0|2,0,0]=3 596 B12R1.460 CCCNC(=O)c1oncc1C WXVL_AK00504SC0912 [0,1,0,0,0,0|2,0,0]=3 597 B12R1.460 CCCNC(=O)c1oncc1C WXVL_AK00504SC0912 [0,1,0,0,0,0|2,0,0]=3 598 B12R1.460 CCCNC(=O)c1sccc1Br WXVL_AK00504SC0364 [0,1,0,0,0,0|1,1,0]=3 599 B12R1.460 CCCNC(=O)c1sccc1Br WXVL_AK00504SC0364 [0,1,0,0,0,0|1,1,0]=3 600 B12R1.460 CCCNC(=O)c1sccc1C WXVL_AK00504SC0052 [0,1,0,0,0,0|1,1,0]=3 601 B12R1.460 CCCNC(=O)c1sccc1C WXVL_AK00504SC0052 [0,1,0,0,0,0|1,1,0]=3 602 B12R1.460 CCCNC(=O)c1sccc1Cl WXVL_AK00504SC0756 [0,1,0,0,0,0|1,1,0]=3 603 B12R1.460 CCCNC(=O)c1sccc1Cl WXVL_AK00504SC0756 [0,1,0,0,0,0|1,1,0]=3 604 B12R1.460 CCCNC(=O)c1sccc1F WXVL_AK00504SC0017 [0,1,0,0,0,0|1,1,0]=3 605 B12R1.460 CCCNC(=O)c1sccc1F WXVL_AK00504SC0017 [0,1,0,0,0,0|1,1,0]=3 606 B12R1.460 CCCNC(=O)c1sccc1I WXVL_AK00504SC1579 [0,1,0,0,0,0|1,1,0]=3 607 B12R1.460 CCCNC(=O)c1sccc1I WXVL_AK00504SC1579 [0,1,0,0,0,0|1,1,0]=3 608 B12R1.460 CCCNC(=O)c1scnc1C WXVL_AK00504SC0093 [0,1,0,0,0,0|2,1,0]=4 609 B12R1.460 CCCNC(=O)c1scnc1C WXVL_AK00504SC0093 [0,1,0,0,0,0|2,1,0]=4 610 B12R1.460 Cc1cc[nH]c1C(=O)NCCF WXVL_AK00466SC1315 [0,1,0,0,0,0|3,0,0]=4 611 B12R1.460 Cc1cc[nH]c1C(=O)NCCF WXVL_AK00466SC1315 [0,1,0,0,0,0|3,0,0]=4 612 B12R1.460 Cc1ccoc1C(=O)NCC#N WXVL_AK0683SC0230 [0,1,0,0,0,0|2,0,1]=4 613 B12R1.460 Cc1ccoc1C(=O)NCC#N WXVL_AK0683SC0230 [0,1,0,0,0,0|2,0,1]=4 614 B12R1.460 Cc1ccoc1C(=O)NCCF WXVL_AK00466SC0230 [0,1,0,0,0,0|2,0,0]=3 615 B12R1.460 Cc1ccoc1C(=O)NCCF WXVL_AK00466SC0230 [0,1,0,0,0,0|2,0,0]=3 616 B12R1.460 Cc1ccsc1C(=O)NCCF WXVL_AK00466SC0052 [0,1,0,0,0,0|2,1,0]=4 617 B12R1.460 Cc1ccsc1C(=O)NCCF WXVL_AK00466SC0052 [0,1,0,0,0,0|2,1,0]=4 618 B12R1.460 Cc1cnoc1C(=O)NCCF WXVL_AK00466SC0912 [0,1,0,0,0,0|3,0,0]=4 619 B12R1.460 Cc1cnoc1C(=O)NCCF WXVL_AK00466SC0912 [0,1,0,0,0,0|3,0,0]=4 620 B12R1.460 Cc1ncoc1C(=O)NCCF WXVL_AK00466SC0103 [0,1,0,0,0,0|3,0,0]=4 621 B12R1.460 Cc1ncoc1C(=O)NCCF WXVL_AK00466SC0103 [0,1,0,0,0,0|3,0,0]=4 622 B12R1.460 N#CCNC(=O)c1occc1Br WXVL_AK0683SC0241 [0,1,0,0,0,0|2,0,1]=4 623 B12R1.460 N#CCNC(=O)c1occc1Br WXVL_AK0683SC0241 [0,1,0,0,0,0|2,0,1]=4 624 B12R1.460 O=C(NCCF)c1occc1Br WXVL_AK00466SC0241 [0,1,0,0,0,0|2,0,0]=3 625 B12R1.460 O=C(NCCF)c1occc1Br WXVL_AK00466SC0241 [0,1,0,0,0,0|2,0,0]=3 626 B12R1.460 O=C(NCCF)c1sccc1Br WXVL_AK00466SC0364 [0,1,0,0,0,0|2,1,0]=4 627 B12R1.460 O=C(NCCF)c1sccc1Br WXVL_AK00466SC0364 [0,1,0,0,0,0|2,1,0]=4 628 B12R1.460 O=C(NCCF)c1sccc1Cl WXVL_AK00466SC0756 [0,1,0,0,0,0|2,1,0]=4 629 B12R1.460 O=C(NCCF)c1sccc1Cl WXVL_AK00466SC0756 [0,1,0,0,0,0|2,1,0]=4 630 B12R1.460 O=C(NCCF)c1sccc1F WXVL_AK00466SC0017 [0,1,0,0,0,0|2,1,0]=4 631 B12R1.460 O=C(NCCF)c1sccc1F WXVL_AK00466SC0017 [0,1,0,0,0,0|2,1,0]=4 632 B12R1.460 O=C(NCCF)c1sccc1I WXVL_AK00466SC1579 [0,1,0,0,0,0|2,1,0]=4 633 B12R1.460 O=C(NCCF)c1sccc1I WXVL_AK00466SC1579 [0,1,0,0,0,0|2,1,0]=4 634 B10R0.91 C/C=C/C=C/C(=O)NCCC WXVL_AK00504SB0348 [0,0,1,0,0,0|2,0,0]=3 635 B10R0.91 C/C=C/C=C/C(=O)NCCC WXVL_AK00504SB0348 [0,0,1,0,0,0|2,0,0]=3 636 B10R0.91 C/C=C/C=C/C(=O)NCCF WXVL_AK00466SB0348 [0,0,1,0,0,0|3,0,0]=4 637 B10R0.91 C/C=C/C=C/C(=O)NCCF WXVL_AK00466SB0348 [0,0,1,0,0,0|3,0,0]=4 638 B12R2.2 C1=C(CCCC1)c2cccs2 WXVL_LR0498BT0857 [0,0,0,1,0,0|1,1,0]=3 639 B12R2.2 C1=C(CCCC1)c2cccs2 WXVL_LR0498BT0936 [0,0,0,1,0,0|1,1,0]=3 640 B12R2.2 C1=C(CCCC1)c2ccon2 WXVL_LR0685BT0857 [0,0,0,1,0,0|3,0,0]=4 641 B12R2.2 C1=C(CCCC1)c2ccon2 WXVL_LR0685BT0936 [0,0,0,1,0,0|3,0,0]=4 642 B12R2.2 C1=C(CCCC1)c2cnc[nH]2 WXVL_LR0418BT0857 [0,0,0,1,0,0|3,0,0]=4 643 B12R2.2 C1=C(CCCC1)c2cnc[nH]2 WXVL_LR0418BT0936 [0,0,0,1,0,0|3,0,0]=4 644 B12R2.2 C1=C(CCCO1)c2cccs2 WXVL_LR0498BT5734 [0,0,0,1,0,0|2,1,0]=4 645 B12R2.2 C1=C(CCNC1)c2cccs2 WXVL_LR0498BT1900 [0,0,0,1,0,0|2,1,0]=4 646 B12R2.2 C1=C(CCOC1)c2cccs2 WXVL_LR0498BT1028 [0,0,0,1,0,0|2,1,0]=4 647 B12R2.2 C1=C(CCOC1)c2cccs2 WXVL_LR0498BT1362 [0,0,0,1,0,0|2,1,0]=4 648 B12R2.2 C1=C(CCSC1)c2cccs2 WXVL_LR0498BT1320 [0,0,0,1,0,0|2,1,0]=4 649 B12R2.2 C1=C(OCCC1)c2cccs2 WXVL_LR0498BT4259 [0,0,0,1,0,0|0,1,2]=4 650 B12R2.2074 O=C(NC1CC1)c2c[nH]cn2 WXVL_AK0001SC0074 [0,0,0,1,0,0|3,0,0]=4 651 B12R2.2074 O=C(NC1CC1)c2c[nH]cn2 WXVL_AK0001SC0074 [0,0,0,1,0,0|3,0,0]=4 652 B12R2.2074 O=C(NC1CC1)c2cc[nH]c2 WXVL_AK0001SC0013 [0,0,0,1,0,0|3,0,0]=4 653 B12R2.2074 O=C(NC1CC1)c2cc[nH]c2 WXVL_AK0001SC0013 [0,0,0,1,0,0|3,0,0]=4 654 B12R2.2074 O=C(NC1CC1)c2cc[nH]n2 WXVL_AK0001SC0003 [0,0,0,1,0,0|3,0,0]=4 655 B12R2.2074 O=C(NC1CC1)c2cc[nH]n2 WXVL_AK0001SC0003 [0,0,0,1,0,0|3,0,0]=4 656 B12R2.2074 O=C(NC1CC1)c2ccco2 WXVL_AK0001SC0049 [0,0,0,1,0,0|1,0,0]=2 657 B12R2.2074 O=C(NC1CC1)c2ccco2 WXVL_AK0001SC0049 [0,0,0,1,0,0|1,0,0]=2 658 B12R2.2074 O=C(NC1CC1)c2cccs2 WXVL_AK0001SC0051 [0,0,0,1,0,0|1,1,0]=3 659 B12R2.2074 O=C(NC1CC1)c2cccs2 WXVL_AK0001SC0051 [0,0,0,1,0,0|1,1,0]=3 660 B12R2.2074 O=C(NC1CC1)c2ccno2 WXVL_AK0001SC0080 [0,0,0,1,0,0|2,0,0]=3 661 B12R2.2074 O=C(NC1CC1)c2ccno2 WXVL_AK0001SC0080 [0,0,0,1,0,0|2,0,0]=3 662 B12R2.2074 O=C(NC1CC1)c2ccns2 WXVL_AK0001SC0027 [0,0,0,1,0,0|2,1,0]=4 663 B12R2.2074 O=C(NC1CC1)c2ccns2 WXVL_AK0001SC0027 [0,0,0,1,0,0|2,1,0]=4 664 B12R2.2074 O=C(NC1CC1)c2ccoc2 WXVL_AK0001SC0050 [0,0,0,1,0,0|3,0,0]=4 665 B12R2.2074 O=C(NC1CC1)c2ccoc2 WXVL_AK0001SC0050 [0,0,0,1,0,0|3,0,0]=4 666 B12R2.2074 O=C(NC1CC1)c2ccon2 WXVL_AK0001SC0116 [0,0,0,1,0,0|3,0,0]=4 667 B12R2.2074 O=C(NC1CC1)c2ccon2 WXVL_AK0001SC0116 [0,0,0,1,0,0|3,0,0]=4 668 B12R2.2074 O=C(NC1CC1)c2ccsc2 WXVL_AK0001SC0054 [0,0,0,1,0,0|3,0,0]=4 669 B12R2.2074 O=C(NC1CC1)c2ccsc2 WXVL_AK0001SC0054 [0,0,0,1,0,0|3,0,0]=4 670 B12R2.2074 O=C(NC1CC1)c2ccsn2 WXVL_AK0001SC0764 [0,0,0,1,0,0|3,0,0]=4 671 B12R2.2074 O=C(NC1CC1)c2ccsn2 WXVL_AK0001SC0764 [0,0,0,1,0,0|3,0,0]=4 672 B12R2.2074 O=C(NC1CC1)c2cnc[nH]2 WXVL_AK0001SC0247 [0,0,0,1,0,0|3,0,0]=4 673 B12R2.2074 O=C(NC1CC1)c2cnc[nH]2 WXVL_AK0001SC0247 [0,0,0,1,0,0|3,0,0]=4 674 B12R2.2074 O=C(NC1CC1)c2cnco2 WXVL_AK0001SC0018 [0,0,0,1,0,0|2,0,0]=3 675 B12R2.2074 O=C(NC1CC1)c2cnco2 WXVL_AK0001SC0018 [0,0,0,1,0,0|2,0,0]=3 676 B12R2.2074 O=C(NC1CC1)c2cncs2 WXVL_AK0001SC0113 [0,0,0,1,0,0|2,1,0]=4 677 B12R2.2074 O=C(NC1CC1)c2cncs2 WXVL_AK0001SC0113 [0,0,0,1,0,0|2,1,0]=4 678 B12R2.2074 O=C(NC1CC1)c2cocn2 WXVL_AK0001SC0118 [0,0,0,1,0,0|3,0,0]=4 679 B12R2.2074 O=C(NC1CC1)c2cocn2 WXVL_AK0001SC0118 [0,0,0,1,0,0|3,0,0]=4 680 B12R2.2074 O=C(NC1CC1)c2cscn2 WXVL_AK0001SC0092 [0,0,0,1,0,0|3,0,0]=4 681 B12R2.2074 O=C(NC1CC1)c2cscn2 WXVL_AK0001SC0092 [0,0,0,1,0,0|3,0,0]=4 682 B12R2.2074 O=C(NC1CC1)c2nccs2 WXVL_AK0001SC0110 [0,0,0,1,0,0|2,1,0]=4 683 B12R2.2074 O=C(NC1CC1)c2nccs2 WXVL_AK0001SC0110 [0,0,0,1,0,0|2,1,0]=4 684 B12R1.30 CCCNC(=O)C1=CCCCO1 WXVL_AK00504SB4858 [0,0,0,0,0,1|1,0,2]=4 685 B12R1.30 CCCNC(=O)C1=CCCCO1 WXVL_AK00504SB4858 [0,0,0,0,0,1|1,0,2]=4 686 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [0,0,0,0,0,1|2,0,0]=3 687 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [0,0,0,0,0,1|2,0,0]=3 688 B12R1.30 CCCNC(=O)c1ccccn1 WXVL_AK00504SC0058 [0,0,0,0,0,1|2,0,0]=3 689 B12R1.30 CCCNC(=O)c1ccccn1 WXVL_AK00504SC0058 [0,0,0,0,0,1|2,0,0]=3 690 B12R1.30 CCCNC(=O)c1cccnc1 WXVL_AK00504SC0061 [0,0,0,0,0,1|2,0,0]=3 691 B12R1.30 CCCNC(=O)c1cccnc1 WXVL_AK00504SC0061 [0,0,0,0,0,1|2,0,0]=3 692 B12R1.30 CCCNC(=O)c1cccnn1 WXVL_AK00504SC0374 [0,0,0,0,0,1|2,0,0]=3 693 B12R1.30 CCCNC(=O)c1cccnn1 WXVL_AK00504SC0374 [0,0,0,0,0,1|2,0,0]=3 694 B12R1.30 CCCNC(=O)c1ccncc1 WXVL_AK00504SC0062 [0,0,0,0,0,1|2,0,0]=3 695 B12R1.30 CCCNC(=O)c1ccncc1 WXVL_AK00504SC0062 [0,0,0,0,0,1|2,0,0]=3 696 B12R1.30 CCCNC(=O)c1ccncn1 WXVL_AK00504SC0231 [0,0,0,0,0,1|2,0,0]=3 697 B12R1.30 CCCNC(=O)c1ccncn1 WXVL_AK00504SC0231 [0,0,0,0,0,1|2,0,0]=3 698 B12R1.30 CCCNC(=O)c1ccnnc1 WXVL_AK00504SC0064 [0,0,0,0,0,1|3,0,0]=4 699 B12R1.30 CCCNC(=O)c1ccnnc1 WXVL_AK00504SC0064 [0,0,0,0,0,1|3,0,0]=4 700 B12R1.30 CCCNC(=O)c1cncnc1 WXVL_AK00504SC0097 [0,0,0,0,0,1|3,0,0]=4 701 B12R1.30 CCCNC(=O)c1cncnc1 WXVL_AK00504SC0097 [0,0,0,0,0,1|3,0,0]=4 702 B12R1.30 CCCNC(=O)c1ncccn1 WXVL_AK00504SC0096 [0,0,0,0,0,1|2,0,0]=3 703 B12R1.30 CCCNC(=O)c1ncccn1 WXVL_AK00504SC0096 [0,0,0,0,0,1|2,0,0]=3 704 B12R1.30 O=C(NCCF)c1ccccc1 WXVL_AK00466SD0001 [0,0,0,0,0,1|3,0,0]=4 705 B12R1.30 O=C(NCCF)c1ccccc1 WXVL_AK00466SD0001 [0,0,0,0,0,1|3,0,0]=4 706 B12R1.30 O=C(NCCF)c1ccccn1 WXVL_AK00466SC0058 [0,0,0,0,0,1|3,0,0]=4 707 B12R1.30 O=C(NCCF)c1ccccn1 WXVL_AK00466SC0058 [0,0,0,0,0,1|3,0,0]=4 708 B12R1.30 O=C(NCCF)c1cccnc1 WXVL_AK00466SC0061 [0,0,0,0,0,1|3,0,0]=4 709 B12R1.30 O=C(NCCF)c1cccnc1 WXVL_AK00466SC0061 [0,0,0,0,0,1|3,0,0]=4 710 B12R1.30 O=C(NCCF)c1cccnn1 WXVL_AK00466SC0374 [0,0,0,0,0,1|3,0,0]=4 711 B12R1.30 O=C(NCCF)c1cccnn1 WXVL_AK00466SC0374 [0,0,0,0,0,1|3,0,0]=4 712 B12R1.30 O=C(NCCF)c1ccncc1 WXVL_AK00466SC0062 [0,0,0,0,0,1|3,0,0]=4 713 B12R1.30 O=C(NCCF)c1ccncc1 WXVL_AK00466SC0062 [0,0,0,0,0,1|3,0,0]=4 714 B12R1.30 O=C(NCCF)c1ccncn1 WXVL_AK00466SC0231 [0,0,0,0,0,1|3,0,0]=4 715 B12R1.30 O=C(NCCF)c1ccncn1 WXVL_AK00466SC0231 [0,0,0,0,0,1|3,0,0]=4 716 B12R1.30 O=C(NCCF)c1ncccn1 WXVL_AK00466SC0096 [0,0,0,0,0,1|3,0,0]=4 717 B12R1.30 O=C(NCCF)c1ncccn1 WXVL_AK00466SC0096 [0,0,0,0,0,1|3,0,0]=4 718 B12R1.53 C#CCCC(=O)Nc1ccno1 WXVL_AF0588SB2189 [0,0,0,0,0,1|1,0,2]=4 719 B12R1.53 C#CCCC(=O)Nc1ccno1 WXVL_AF0588SB2189 [0,0,0,0,0,1|1,0,2]=4 720 B12R1.53 C#CCCC(=O)Nc1ncco1 WXVL_AF0235SB2189 [0,0,0,0,0,1|1,0,2]=4 721 B12R1.53 C#CCCC(=O)Nc1ncco1 WXVL_AF0235SB2189 [0,0,0,0,0,1|1,0,2]=4 722 B12R1.53 C=CCCC(=O)Nc1ccno1 WXVL_AF0588SB1035 [0,0,0,0,0,1|1,0,2]=4 723 B12R1.53 C=CCCC(=O)Nc1ccno1 WXVL_AF0588SB1035 [0,0,0,0,0,1|1,0,2]=4 724 B12R1.53 C=CCCC(=O)Nc1ncco1 WXVL_AF0235SB1035 [0,0,0,0,0,1|1,0,2]=4 725 B12R1.53 C=CCCC(=O)Nc1ncco1 WXVL_AF0235SB1035 [0,0,0,0,0,1|1,0,2]=4 726 B12R1.53 CCCNC(=O)Cc1cccs1 WXVL_AK00504SA0018 [0,0,0,0,0,1|1,1,0]=3 727 B12R1.53 CCCNC(=O)Cc1cccs1 WXVL_AK00504SA0018 [0,0,0,0,0,1|1,1,0]=3 728 B12R1.53 CCCNC(=O)Cc1ccn[nH]1 WXVL_AK00504SA00008 [0,0,0,0,0,1|3,0,0]=4 729 B12R1.53 CCCNC(=O)Cc1ccn[nH]1 WXVL_AK00504SA00008 [0,0,0,0,0,1|3,0,0]=4 730 B12R1.53 CCCNC(=O)Cc1ccsc1 WXVL_AK00504SA0020 [0,0,0,0,0,1|3,0,0]=4 731 B12R1.53 CCCNC(=O)Cc1ccsc1 WXVL_AK00504SA0020 [0,0,0,0,0,1|3,0,0]=4 732 B12R1.53 CCCNC(=O)Cc1cscn1 WXVL_AK00504SA0012 [0,0,0,0,0,1|3,0,0]=4 733 B12R1.53 CCCNC(=O)Cc1cscn1 WXVL_AK00504SA0012 [0,0,0,0,0,1|3,0,0]=4 734 B12R1.53 CCCNC(=O)Cn1cccn1 WXVL_AK00504SA0030 [0,0,0,0,0,1|3,0,0]=4 735 B12R1.53 CCCNC(=O)Cn1cccn1 WXVL_AK00504SA0030 [0,0,0,0,0,1|3,0,0]=4 736 B12R1.53 CCOCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0091 [0,0,0,0,0,1|3,0,0]=4 737 B12R1.53 CCOCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0091 [0,0,0,0,0,1|3,0,0]=4 738 B12R1.53 CCOCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0091 [0,0,0,0,0,1|3,0,0]=4 739 B12R1.53 CCOCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0091 [0,0,0,0,0,1|3,0,0]=4 740 B12R1.53 CCOCC(=O)Nc1ccno1 WXVL_AF0588SB0091 [0,0,0,0,0,1|2,0,0]=3 741 B12R1.53 CCOCC(=O)Nc1ccno1 WXVL_AF0588SB0091 [0,0,0,0,0,1|2,0,0]=3 742 B12R1.53 CCOCC(=O)Nc1ccns1 WXVL_AF00325SB0091 [0,0,0,0,0,1|2,1,0]=4 743 B12R1.53 CCOCC(=O)Nc1ccns1 WXVL_AF00325SB0091 [0,0,0,0,0,1|2,1,0]=4 744 B12R1.53 CCOCC(=O)Nc1ccon1 WXVL_AF0028SB0091 [0,0,0,0,0,1|3,0,0]=4 745 B12R1.53 CCOCC(=O)Nc1ccon1 WXVL_AF0028SB0091 [0,0,0,0,0,1|3,0,0]=4 746 B12R1.53 CCOCC(=O)Nc1ccsc1 WXVL_AF00105SB0091 [0,0,0,0,0,1|3,0,0]=4 747 B12R1.53 CCOCC(=O)Nc1ccsc1 WXVL_AF00105SB0091 [0,0,0,0,0,1|3,0,0]=4 748 B12R1.53 CCOCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0091 [0,0,0,0,0,1|3,0,0]=4 749 B12R1.53 CCOCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0091 [0,0,0,0,0,1|3,0,0]=4 750 B12R1.53 CCOCC(=O)Nc1cncs1 WXVL_AF0724SB0091 [0,0,0,0,0,1|2,1,0]=4 751 B12R1.53 CCOCC(=O)Nc1cncs1 WXVL_AF0724SB0091 [0,0,0,0,0,1|2,1,0]=4 752 B12R1.53 CCOCC(=O)Nc1cscn1 WXVL_AF00216SB0091 [0,0,0,0,0,1|3,0,0]=4 753 B12R1.53 CCOCC(=O)Nc1cscn1 WXVL_AF00216SB0091 [0,0,0,0,0,1|3,0,0]=4 754 B12R1.53 CCOCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0091 [0,0,0,0,0,1|3,0,0]=4 755 B12R1.53 CCOCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0091 [0,0,0,0,0,1|3,0,0]=4 756 B12R1.53 CCOCC(=O)Nc1ncco1 WXVL_AF0235SB0091 [0,0,0,0,0,1|2,0,0]=3 757 B12R1.53 CCOCC(=O)Nc1ncco1 WXVL_AF0235SB0091 [0,0,0,0,0,1|2,0,0]=3 758 B12R1.53 CCOCC(=O)Nc1nccs1 WXVL_AF0003SB0091 [0,0,0,0,0,1|2,1,0]=4 759 B12R1.53 CCOCC(=O)Nc1nccs1 WXVL_AF0003SB0091 [0,0,0,0,0,1|2,1,0]=4 760 B12R1.53 CCOCC(=O)Nc1nnco1 WXVL_AF0087SB0091 [0,0,0,0,0,1|3,0,0]=4 761 B12R1.53 CCOCC(=O)Nc1nnco1 WXVL_AF0087SB0091 [0,0,0,0,0,1|3,0,0]=4 762 B12R1.53 CCSCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0002 [0,0,0,0,0,1|3,0,0]=4 763 B12R1.53 CCSCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0002 [0,0,0,0,0,1|3,0,0]=4 764 B12R1.53 CCSCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0002 [0,0,0,0,0,1|3,0,0]=4 765 B12R1.53 CCSCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0002 [0,0,0,0,0,1|3,0,0]=4 766 B12R1.53 CCSCC(=O)Nc1ccno1 WXVL_AF0588SB0002 [0,0,0,0,0,1|2,0,0]=3 767 B12R1.53 CCSCC(=O)Nc1ccno1 WXVL_AF0588SB0002 [0,0,0,0,0,1|2,0,0]=3 768 B12R1.53 CCSCC(=O)Nc1ccns1 WXVL_AF00325SB0002 [0,0,0,0,0,1|2,1,0]=4 769 B12R1.53 CCSCC(=O)Nc1ccns1 WXVL_AF00325SB0002 [0,0,0,0,0,1|2,1,0]=4 770 B12R1.53 CCSCC(=O)Nc1ccon1 WXVL_AF0028SB0002 [0,0,0,0,0,1|3,0,0]=4 771 B12R1.53 CCSCC(=O)Nc1ccon1 WXVL_AF0028SB0002 [0,0,0,0,0,1|3,0,0]=4 772 B12R1.53 CCSCC(=O)Nc1ccsc1 WXVL_AF00105SB0002 [0,0,0,0,0,1|3,0,0]=4 773 B12R1.53 CCSCC(=O)Nc1ccsc1 WXVL_AF00105SB0002 [0,0,0,0,0,1|3,0,0]=4 774 B12R1.53 CCSCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0002 [0,0,0,0,0,1|3,0,0]=4 775 B12R1.53 CCSCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0002 [0,0,0,0,0,1|3,0,0]=4 776 B12R1.53 CCSCC(=O)Nc1cncs1 WXVL_AF0724SB0002 [0,0,0,0,0,1|2,1,0]=4 777 B12R1.53 CCSCC(=O)Nc1cncs1 WXVL_AF0724SB0002 [0,0,0,0,0,1|2,1,0]=4 778 B12R1.53 CCSCC(=O)Nc1cscn1 WXVL_AF00216SB0002 [0,0,0,0,0,1|3,0,0]=4 779 B12R1.53 CCSCC(=O)Nc1cscn1 WXVL_AF00216SB0002 [0,0,0,0,0,1|3,0,0]=4 780 B12R1.53 CCSCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0002 [0,0,0,0,0,1|3,0,0]=4 781 B12R1.53 CCSCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0002 [0,0,0,0,0,1|3,0,0]=4 782 B12R1.53 CCSCC(=O)Nc1ncco1 WXVL_AF0235SB0002 [0,0,0,0,0,1|2,0,0]=3 783 B12R1.53 CCSCC(=O)Nc1ncco1 WXVL_AF0235SB0002 [0,0,0,0,0,1|2,0,0]=3 784 B12R1.53 CCSCC(=O)Nc1nccs1 WXVL_AF0003SB0002 [0,0,0,0,0,1|2,1,0]=4 785 B12R1.53 CCSCC(=O)Nc1nccs1 WXVL_AF0003SB0002 [0,0,0,0,0,1|2,1,0]=4 786 B12R1.53 CCSCC(=O)Nc1nnco1 WXVL_AF0087SB0002 [0,0,0,0,0,1|3,0,0]=4 787 B12R1.53 CCSCC(=O)Nc1nnco1 WXVL_AF0087SB0002 [0,0,0,0,0,1|3,0,0]=4 788 B12R1.53 COCCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0156 [0,0,0,0,0,1|3,0,0]=4 789 B12R1.53 COCCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0156 [0,0,0,0,0,1|3,0,0]=4 790 B12R1.53 COCCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0156 [0,0,0,0,0,1|3,0,0]=4 791 B12R1.53 COCCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0156 [0,0,0,0,0,1|3,0,0]=4 792 B12R1.53 COCCC(=O)Nc1ccno1 WXVL_AF0588SB0156 [0,0,0,0,0,1|2,0,0]=3 793 B12R1.53 COCCC(=O)Nc1ccno1 WXVL_AF0588SB0156 [0,0,0,0,0,1|2,0,0]=3 794 B12R1.53 COCCC(=O)Nc1ccns1 WXVL_AF00325SB0156 [0,0,0,0,0,1|2,1,0]=4 795 B12R1.53 COCCC(=O)Nc1ccns1 WXVL_AF00325SB0156 [0,0,0,0,0,1|2,1,0]=4 796 B12R1.53 COCCC(=O)Nc1ccon1 WXVL_AF0028SB0156 [0,0,0,0,0,1|3,0,0]=4 797 B12R1.53 COCCC(=O)Nc1ccon1 WXVL_AF0028SB0156 [0,0,0,0,0,1|3,0,0]=4 798 B12R1.53 COCCC(=O)Nc1ccsc1 WXVL_AF00105SB0156 [0,0,0,0,0,1|3,0,0]=4 799 B12R1.53 COCCC(=O)Nc1ccsc1 WXVL_AF00105SB0156 [0,0,0,0,0,1|3,0,0]=4 800 B12R1.53 COCCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0156 [0,0,0,0,0,1|3,0,0]=4 801 B12R1.53 COCCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0156 [0,0,0,0,0,1|3,0,0]=4 802 B12R1.53 COCCC(=O)Nc1cncs1 WXVL_AF0724SB0156 [0,0,0,0,0,1|2,1,0]=4 803 B12R1.53 COCCC(=O)Nc1cncs1 WXVL_AF0724SB0156 [0,0,0,0,0,1|2,1,0]=4 804 B12R1.53 COCCC(=O)Nc1cscn1 WXVL_AF00216SB0156 [0,0,0,0,0,1|3,0,0]=4 805 B12R1.53 COCCC(=O)Nc1cscn1 WXVL_AF00216SB0156 [0,0,0,0,0,1|3,0,0]=4 806 B12R1.53 COCCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0156 [0,0,0,0,0,1|3,0,0]=4 807 B12R1.53 COCCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0156 [0,0,0,0,0,1|3,0,0]=4 808 B12R1.53 COCCC(=O)Nc1ncco1 WXVL_AF0235SB0156 [0,0,0,0,0,1|2,0,0]=3 809 B12R1.53 COCCC(=O)Nc1ncco1 WXVL_AF0235SB0156 [0,0,0,0,0,1|2,0,0]=3 810 B12R1.53 COCCC(=O)Nc1nccs1 WXVL_AF0003SB0156 [0,0,0,0,0,1|2,1,0]=4 811 B12R1.53 COCCC(=O)Nc1nccs1 WXVL_AF0003SB0156 [0,0,0,0,0,1|2,1,0]=4 812 B12R1.53 COCCC(=O)Nc1nnco1 WXVL_AF0087SB0156 [0,0,0,0,0,1|3,0,0]=4 813 B12R1.53 COCCC(=O)Nc1nnco1 WXVL_AF0087SB0156 [0,0,0,0,0,1|3,0,0]=4 814 B12R1.53 CSCCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0361 [0,0,0,0,0,1|3,0,0]=4 815 B12R1.53 CSCCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0361 [0,0,0,0,0,1|3,0,0]=4 816 B12R1.53 CSCCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0361 [0,0,0,0,0,1|3,0,0]=4 817 B12R1.53 CSCCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0361 [0,0,0,0,0,1|3,0,0]=4 818 B12R1.53 CSCCC(=O)Nc1ccno1 WXVL_AF0588SB0361 [0,0,0,0,0,1|2,0,0]=3 819 B12R1.53 CSCCC(=O)Nc1ccno1 WXVL_AF0588SB0361 [0,0,0,0,0,1|2,0,0]=3 820 B12R1.53 CSCCC(=O)Nc1ccns1 WXVL_AF00325SB0361 [0,0,0,0,0,1|2,1,0]=4 821 B12R1.53 CSCCC(=O)Nc1ccns1 WXVL_AF00325SB0361 [0,0,0,0,0,1|2,1,0]=4 822 B12R1.53 CSCCC(=O)Nc1ccon1 WXVL_AF0028SB0361 [0,0,0,0,0,1|3,0,0]=4 823 B12R1.53 CSCCC(=O)Nc1ccon1 WXVL_AF0028SB0361 [0,0,0,0,0,1|3,0,0]=4 824 B12R1.53 CSCCC(=O)Nc1ccsc1 WXVL_AF00105SB0361 [0,0,0,0,0,1|3,0,0]=4 825 B12R1.53 CSCCC(=O)Nc1ccsc1 WXVL_AF00105SB0361 [0,0,0,0,0,1|3,0,0]=4 826 B12R1.53 CSCCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0361 [0,0,0,0,0,1|3,0,0]=4 827 B12R1.53 CSCCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0361 [0,0,0,0,0,1|3,0,0]=4 828 B12R1.53 CSCCC(=O)Nc1cncs1 WXVL_AF0724SB0361 [0,0,0,0,0,1|2,1,0]=4 829 B12R1.53 CSCCC(=O)Nc1cncs1 WXVL_AF0724SB0361 [0,0,0,0,0,1|2,1,0]=4 830 B12R1.53 CSCCC(=O)Nc1cscn1 WXVL_AF00216SB0361 [0,0,0,0,0,1|3,0,0]=4 831 B12R1.53 CSCCC(=O)Nc1cscn1 WXVL_AF00216SB0361 [0,0,0,0,0,1|3,0,0]=4 832 B12R1.53 CSCCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0361 [0,0,0,0,0,1|3,0,0]=4 833 B12R1.53 CSCCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0361 [0,0,0,0,0,1|3,0,0]=4 834 B12R1.53 CSCCC(=O)Nc1ncco1 WXVL_AF0235SB0361 [0,0,0,0,0,1|2,0,0]=3 835 B12R1.53 CSCCC(=O)Nc1ncco1 WXVL_AF0235SB0361 [0,0,0,0,0,1|2,0,0]=3 836 B12R1.53 CSCCC(=O)Nc1nccs1 WXVL_AF0003SB0361 [0,0,0,0,0,1|2,1,0]=4 837 B12R1.53 CSCCC(=O)Nc1nccs1 WXVL_AF0003SB0361 [0,0,0,0,0,1|2,1,0]=4 838 B12R1.53 CSCCC(=O)Nc1nnco1 WXVL_AF0087SB0361 [0,0,0,0,0,1|3,0,0]=4 839 B12R1.53 CSCCC(=O)Nc1nnco1 WXVL_AF0087SB0361 [0,0,0,0,0,1|3,0,0]=4 840 B12R1.53 O=C(Cc1cccs1)NCCF WXVL_AK00466SA0018 [0,0,0,0,0,1|2,1,0]=4 841 B12R1.53 O=C(Cc1cccs1)NCCF WXVL_AK00466SA0018 [0,0,0,0,0,1|2,1,0]=4 842 B12R1.53 O=C(NCCCl)Nc1ccno1 WXVL_AF0588YV0092 [0,0,0,0,0,1|3,0,0]=4 843 B12R1.53 O=C(NCCCl)Nc1ccno1 WXVL_AF0588YV0092 [0,0,0,0,0,1|3,0,0]=4 844 B12R1.53 O=C(NCCCl)Nc1ncco1 WXVL_AF0235YV0092 [0,0,0,0,0,1|3,0,0]=4 845 B12R1.53 O=C(NCCCl)Nc1ncco1 WXVL_AF0235YV0092 [0,0,0,0,0,1|3,0,0]=4 846 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [1,0,1,0,0,0|2,0,0]=4 847 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [1,0,1,0,0,0|2,0,0]=4 848 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [2,0,0,0,0,0|1,0,0]=3 849 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [2,0,0,0,0,0|1,0,0]=3 850 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [2,0,0,0,0,0|1,1,0]=4 851 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [2,0,0,0,0,0|1,1,0]=4 852 B9R1.11 CNC(=O)c1ccno1 WXVL_AK00442SC0080 [2,0,0,0,0,0|2,0,0]=4 853 B9R1.11 CNC(=O)c1ccno1 WXVL_AK00442SC0080 [2,0,0,0,0,0|2,0,0]=4 854 B9R1.11 CNC(=O)c1cnco1 WXVL_AK00442SC0018 [2,0,0,0,0,0|2,0,0]=4 855 B9R1.11 CNC(=O)c1cnco1 WXVL_AK00442SC0018 [2,0,0,0,0,0|2,0,0]=4 856 B11R0.46 C/C=C/C=C/C(=O)NCC(C)C WXVL_AK00544SB0348 [0,1,1,0,0,0|2,0,0]=4 857 B11R0.46 C/C=C/C=C/C(=O)NCC(C)C WXVL_AK00544SB0348 [0,1,1,0,0,0|2,0,0]=4 858 B11R0.46 C/C=C/C=C/C(=O)NCC(C)O WXVL_AK0052SB0348 [0,1,1,0,0,0|2,0,0]=4 859 B11R0.46 C/C=C/C=C/C(=O)NCC(C)O WXVL_AK0052SB0348 [0,1,1,0,0,0|2,0,0]=4 860 B11R0.46 C/C=C/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB0348 [0,1,1,0,0,0|2,0,0]=4 861 B11R0.46 C/C=C/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB0348 [0,1,1,0,0,0|2,0,0]=4 862 B11R0.140 C/C=C/C=C/C(=O)NCCCC WXVL_AK00588SB0348 [0,1,1,0,0,0|1,0,0]=3 863 B11R0.140 C/C=C/C=C/C(=O)NCCCC WXVL_AK00588SB0348 [0,1,1,0,0,0|1,0,0]=3 864 B11R0.140 C/C=C/C=C/C(=O)NCCCO WXVL_AK0073SB0348 [0,1,1,0,0,0|2,0,0]=4 865 B11R0.140 C/C=C/C=C/C(=O)NCCCO WXVL_AK0073SB0348 [0,1,1,0,0,0|2,0,0]=4 866 B11R0.140 C/C=C/C=C/C(=O)NCCSC WXVL_AK00440SB0348 [0,1,1,0,0,0|2,0,0]=4 867 B11R0.140 C/C=C/C=C/C(=O)NCCSC WXVL_AK00440SB0348 [0,1,1,0,0,0|2,0,0]=4 868 B11R0.154 C/C=C/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB0348 [0,1,1,0,0,0|2,0,0]=4 869 B11R0.154 C/C=C/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB0348 [0,1,1,0,0,0|2,0,0]=4 870 B11R1.15 CCNC(=O)c1cc(c[nH]1)Br WXVL_AK00476SC0644 [1,1,0,0,0,0|2,0,0]=4 871 B11R1.15 CCNC(=O)c1cc(c[nH]1)Br WXVL_AK00476SC0644 [1,1,0,0,0,0|2,0,0]=4 872 B11R1.15 CCNC(=O)c1cc(c[nH]1)C WXVL_AK00476SC0830 [1,1,0,0,0,0|2,0,0]=4 873 B11R1.15 CCNC(=O)c1cc(c[nH]1)C WXVL_AK00476SC0830 [1,1,0,0,0,0|2,0,0]=4 874 B11R1.15 CCNC(=O)c1cc(c[nH]1)F WXVL_AK00476SC0334 [1,1,0,0,0,0|2,0,0]=4 875 B11R1.15 CCNC(=O)c1cc(c[nH]1)F WXVL_AK00476SC0334 [1,1,0,0,0,0|2,0,0]=4 876 B11R1.15 CCNC(=O)c1cc(cs1)Br WXVL_AK00476SC0188 [1,1,0,0,0,0|1,1,0]=4 877 B11R1.15 CCNC(=O)c1cc(cs1)Br WXVL_AK00476SC0188 [1,1,0,0,0,0|1,1,0]=4 878 B11R1.15 CCNC(=O)c1cc(cs1)C WXVL_AK00476SC0004 [1,1,0,0,0,0|1,1,0]=4 879 B11R1.15 CCNC(=O)c1cc(cs1)C WXVL_AK00476SC0004 [1,1,0,0,0,0|1,1,0]=4 880 B11R1.15 CCNC(=O)c1cc(no1)C WXVL_AK00476SC0089 [1,1,0,0,0,0|2,0,0]=4 881 B11R1.15 CCNC(=O)c1cc(no1)C WXVL_AK00476SC0089 [1,1,0,0,0,0|2,0,0]=4 882 B11R1.15 CCNC(=O)c1cc(no1)O WXVL_AK00476SC0522 [1,1,0,0,0,0|2,0,0]=4 883 B11R1.15 CCNC(=O)c1cc(no1)O WXVL_AK00476SC0522 [1,1,0,0,0,0|2,0,0]=4 884 B11R1.15 CCNC(=O)c1ccc(o1)C WXVL_AK00476SC0005 [1,1,0,0,0,0|1,0,0]=3 885 B11R1.15 CCNC(=O)c1ccc(o1)C WXVL_AK00476SC0005 [1,1,0,0,0,0|1,0,0]=3 886 B11R1.15 CCNC(=O)c1ccc(o1)Cl WXVL_AK00476SC0926 [1,1,0,0,0,0|1,0,0]=3 887 B11R1.15 CCNC(=O)c1ccc(o1)Cl WXVL_AK00476SC0926 [1,1,0,0,0,0|1,0,0]=3 888 B11R1.15 CCNC(=O)c1ccc(s1)Br WXVL_AK00476SC0359 [1,1,0,0,0,0|1,1,0]=4 889 B11R1.15 CCNC(=O)c1ccc(s1)Br WXVL_AK00476SC0359 [1,1,0,0,0,0|1,1,0]=4 890 B11R1.15 CCNC(=O)c1ccc(s1)C WXVL_AK00476SC0053 [1,1,0,0,0,0|1,1,0]=4 891 B11R1.15 CCNC(=O)c1ccc(s1)C WXVL_AK00476SC0053 [1,1,0,0,0,0|1,1,0]=4 892 B11R1.15 CCNC(=O)c1ccc(s1)Cl WXVL_AK00476SC0067 [1,1,0,0,0,0|1,1,0]=4 893 B11R1.15 CCNC(=O)c1ccc(s1)Cl WXVL_AK00476SC0067 [1,1,0,0,0,0|1,1,0]=4 894 B11R1.15 CCNC(=O)c1cnc(o1)Br WXVL_AK00476SC0815 [1,1,0,0,0,0|2,0,0]=4 895 B11R1.15 CCNC(=O)c1cnc(o1)Br WXVL_AK00476SC0815 [1,1,0,0,0,0|2,0,0]=4 896 B11R1.31 CNC(=O)C(=O)c1ccco1 WXVL_AK00442SA0049 [1,1,0,0,0,0|1,0,1]=4 897 B11R1.31 CNC(=O)C(=O)c1ccco1 WXVL_AK00442SA0049 [1,1,0,0,0,0|1,0,1]=4 898 B11R1.77 CC(C)NC(=O)c1ccco1 WXVL_AK0030SC0049 [1,1,0,0,0,0|1,0,0]=3 899 B11R1.77 CC(C)NC(=O)c1ccco1 WXVL_AK0030SC0049 [1,1,0,0,0,0|1,0,0]=3 900 B11R1.77 CC(C)NC(=O)c1cccs1 WXVL_AK0030SC0051 [1,1,0,0,0,0|1,1,0]=4 901 B11R1.77 CC(C)NC(=O)c1cccs1 WXVL_AK0030SC0051 [1,1,0,0,0,0|1,1,0]=4 902 B11R1.77 CC(C)NC(=O)c1ccno1 WXVL_AK0030SC0080 [1,1,0,0,0,0|2,0,0]=4 903 B11R1.77 CC(C)NC(=O)c1ccno1 WXVL_AK0030SC0080 [1,1,0,0,0,0|2,0,0]=4 904 B11R1.77 CC(C)NC(=O)c1cnco1 WXVL_AK0030SC0018 [1,1,0,0,0,0|2,0,0]=4 905 B11R1.77 CC(C)NC(=O)c1cnco1 WXVL_AK0030SC0018 [1,1,0,0,0,0|2,0,0]=4 906 B11R1.199 CCNC(=O)c1[nH]ccc1C WXVL_AK00476SC1315 [1,1,0,0,0,0|2,0,0]=4 907 B11R1.199 CCNC(=O)c1[nH]ccc1C WXVL_AK00476SC1315 [1,1,0,0,0,0|2,0,0]=4 908 B11R1.199 CCNC(=O)c1occc1Br WXVL_AK00476SC0241 [1,1,0,0,0,0|1,0,0]=3 909 B11R1.199 CCNC(=O)c1occc1Br WXVL_AK00476SC0241 [1,1,0,0,0,0|1,0,0]=3 910 B11R1.199 CCNC(=O)c1occc1C WXVL_AK00476SC0230 [1,1,0,0,0,0|1,0,0]=3 911 B11R1.199 CCNC(=O)c1occc1C WXVL_AK00476SC0230 [1,1,0,0,0,0|1,0,0]=3 912 B11R1.199 CCNC(=O)c1ocnc1C WXVL_AK00476SC0103 [1,1,0,0,0,0|2,0,0]=4 913 B11R1.199 CCNC(=O)c1ocnc1C WXVL_AK00476SC0103 [1,1,0,0,0,0|2,0,0]=4 914 B11R1.199 CCNC(=O)c1oncc1C WXVL_AK00476SC0912 [1,1,0,0,0,0|2,0,0]=4 915 B11R1.199 CCNC(=O)c1oncc1C WXVL_AK00476SC0912 [1,1,0,0,0,0|2,0,0]=4 916 B11R1.199 CCNC(=O)c1sccc1Br WXVL_AK00476SC0364 [1,1,0,0,0,0|1,1,0]=4 917 B11R1.199 CCNC(=O)c1sccc1Br WXVL_AK00476SC0364 [1,1,0,0,0,0|1,1,0]=4 918 B11R1.199 CCNC(=O)c1sccc1C WXVL_AK00476SC0052 [1,1,0,0,0,0|1,1,0]=4 919 B11R1.199 CCNC(=O)c1sccc1C WXVL_AK00476SC0052 [1,1,0,0,0,0|1,1,0]=4 920 B11R1.199 CCNC(=O)c1sccc1Cl WXVL_AK00476SC0756 [1,1,0,0,0,0|1,1,0]=4 921 B11R1.199 CCNC(=O)c1sccc1Cl WXVL_AK00476SC0756 [1,1,0,0,0,0|1,1,0]=4 922 B11R1.199 CCNC(=O)c1sccc1F WXVL_AK00476SC0017 [1,1,0,0,0,0|1,1,0]=4 923 B11R1.199 CCNC(=O)c1sccc1F WXVL_AK00476SC0017 [1,1,0,0,0,0|1,1,0]=4 924 B11R1.199 CCNC(=O)c1sccc1I WXVL_AK00476SC1579 [1,1,0,0,0,0|1,1,0]=4 925 B11R1.199 CCNC(=O)c1sccc1I WXVL_AK00476SC1579 [1,1,0,0,0,0|1,1,0]=4 926 B13R1.11 CC[C@H](C)NC(=O)c1ccccc1 WXVL_AK00678SD0001 [0,1,0,0,0,1|2,0,0]=4 927 B13R1.11 CC[C@H](C)NC(=O)c1ccccc1 WXVL_AK00678SD0001 [0,1,0,0,0,1|2,0,0]=4 928 B13R1.11 CC[C@H](C)NC(=O)c1ccccn1 WXVL_AK00678SC0058 [0,1,0,0,0,1|2,0,0]=4 929 B13R1.11 CC[C@H](C)NC(=O)c1ccccn1 WXVL_AK00678SC0058 [0,1,0,0,0,1|2,0,0]=4 930 B13R1.11 CC[C@H](C)NC(=O)c1cccnc1 WXVL_AK00678SC0061 [0,1,0,0,0,1|2,0,0]=4 931 B13R1.11 CC[C@H](C)NC(=O)c1cccnc1 WXVL_AK00678SC0061 [0,1,0,0,0,1|2,0,0]=4 932 B13R1.11 CC[C@H](C)NC(=O)c1cccnn1 WXVL_AK00678SC0374 [0,1,0,0,0,1|2,0,0]=4 933 B13R1.11 CC[C@H](C)NC(=O)c1cccnn1 WXVL_AK00678SC0374 [0,1,0,0,0,1|2,0,0]=4 934 B13R1.11 CC[C@H](C)NC(=O)c1ccncc1 WXVL_AK00678SC0062 [0,1,0,0,0,1|2,0,0]=4 935 B13R1.11 CC[C@H](C)NC(=O)c1ccncc1 WXVL_AK00678SC0062 [0,1,0,0,0,1|2,0,0]=4 936 B13R1.11 CC[C@H](C)NC(=O)c1ccncn1 WXVL_AK00678SC0231 [0,1,0,0,0,1|2,0,0]=4 937 B13R1.11 CC[C@H](C)NC(=O)c1ccncn1 WXVL_AK00678SC0231 [0,1,0,0,0,1|2,0,0]=4 938 B13R1.11 CC[C@H](C)NC(=O)c1ncccn1 WXVL_AK00678SC0096 [0,1,0,0,0,1|2,0,0]=4 939 B13R1.11 CC[C@H](C)NC(=O)c1ncccn1 WXVL_AK00678SC0096 [0,1,0,0,0,1|2,0,0]=4 940 B13R1.17 CCCNC(=O)c1cc[n+](cc1)[O-] WXVL_AK00504SC0858 [0,1,0,0,0,1|2,0,0]=4 941 B13R1.17 CCCNC(=O)c1cc[n+](cc1)[O-] WXVL_AK00504SC0858 [0,1,0,0,0,1|2,0,0]=4 942 B13R1.17 CCCNC(=O)c1ccc(=O)[nH]c1 WXVL_AK00504SC2212 [0,1,0,0,0,1|2,0,0]=4 943 B13R1.17 CCCNC(=O)c1ccc(=O)[nH]c1 WXVL_AK00504SC2212 [0,1,0,0,0,1|2,0,0]=4 944 B13R1.17 CCCNC(=O)c1ccc(=O)oc1 WXVL_AK00504SC0132 [0,1,0,0,0,1|1,0,0]=3 945 B13R1.17 CCCNC(=O)c1ccc(=O)oc1 WXVL_AK00504SC0132 [0,1,0,0,0,1|1,0,0]=3 946 B13R1.17 CCCNC(=O)c1ccc(cc1)Br WXVL_AK00504SD0060 [0,1,0,0,0,1|2,0,0]=4 947 B13R1.17 CCCNC(=O)c1ccc(cc1)Br WXVL_AK00504SD0060 [0,1,0,0,0,1|2,0,0]=4 948 B13R1.17 CCCNC(=O)c1ccc(cc1)C WXVL_AK00504SD0078 [0,1,0,0,0,1|2,0,0]=4 949 B13R1.17 CCCNC(=O)c1ccc(cc1)C WXVL_AK00504SD0078 [0,1,0,0,0,1|2,0,0]=4 950 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl WXVL_AK00504SD0062 [0,1,0,0,0,1|2,0,0]=4 951 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl WXVL_AK00504SD0062 [0,1,0,0,0,1|2,0,0]=4 952 B13R1.17 CCCNC(=O)c1ccc(cc1)F WXVL_AK00504SD0061 [0,1,0,0,0,1|2,0,0]=4 953 B13R1.17 CCCNC(=O)c1ccc(cc1)F WXVL_AK00504SD0061 [0,1,0,0,0,1|2,0,0]=4 954 B13R1.17 CCCNC(=O)c1ccc(cc1)I WXVL_AK00504SD0421 [0,1,0,0,0,1|2,0,0]=4 955 B13R1.17 CCCNC(=O)c1ccc(cc1)I WXVL_AK00504SD0421 [0,1,0,0,0,1|2,0,0]=4 956 B13R1.17 CCCNC(=O)c1ccc(cc1)O WXVL_AK00504SD0069 [0,1,0,0,0,1|2,0,0]=4 957 B13R1.17 CCCNC(=O)c1ccc(cc1)O WXVL_AK00504SD0069 [0,1,0,0,0,1|2,0,0]=4 958 B13R1.17 CCCNC(=O)c1ccc(cc1)S WXVL_AK00504SD0154 [0,1,0,0,0,1|2,0,0]=4 959 B13R1.17 CCCNC(=O)c1ccc(cc1)S WXVL_AK00504SD0154 [0,1,0,0,0,1|2,0,0]=4 960 B13R1.17 CCCNC(=O)c1ccc(cn1)Br WXVL_AK00504SC0363 [0,1,0,0,0,1|2,0,0]=4 961 B13R1.17 CCCNC(=O)c1ccc(cn1)Br WXVL_AK00504SC0363 [0,1,0,0,0,1|2,0,0]=4 962 B13R1.17 CCCNC(=O)c1ccc(cn1)C WXVL_AK00504SC0104 [0,1,0,0,0,1|2,0,0]=4 963 B13R1.17 CCCNC(=O)c1ccc(cn1)C WXVL_AK00504SC0104 [0,1,0,0,0,1|2,0,0]=4 964 B13R1.17 CCCNC(=O)c1ccc(cn1)Cl WXVL_AK00504SC0381 [0,1,0,0,0,1|2,0,0]=4 965 B13R1.17 CCCNC(=O)c1ccc(cn1)Cl WXVL_AK00504SC0381 [0,1,0,0,0,1|2,0,0]=4 966 B13R1.17 CCCNC(=O)c1ccc(cn1)F WXVL_AK00504SC0114 [0,1,0,0,0,1|2,0,0]=4 967 B13R1.17 CCCNC(=O)c1ccc(cn1)F WXVL_AK00504SC0114 [0,1,0,0,0,1|2,0,0]=4 968 B13R1.17 CCCNC(=O)c1ccc(cn1)O WXVL_AK00504SC0130 [0,1,0,0,0,1|2,0,0]=4 969 B13R1.17 CCCNC(=O)c1ccc(cn1)O WXVL_AK00504SC0130 [0,1,0,0,0,1|2,0,0]=4 970 B13R1.17 CCCNC(=O)c1ccc(nc1)Br WXVL_AK00504SC0352 [0,1,0,0,0,1|2,0,0]=4 971 B13R1.17 CCCNC(=O)c1ccc(nc1)Br WXVL_AK00504SC0352 [0,1,0,0,0,1|2,0,0]=4 972 B13R1.17 CCCNC(=O)c1ccc(nc1)C WXVL_AK00504SC0060 [0,1,0,0,0,1|2,0,0]=4 973 B13R1.17 CCCNC(=O)c1ccc(nc1)C WXVL_AK00504SC0060 [0,1,0,0,0,1|2,0,0]=4 974 B13R1.17 CCCNC(=O)c1ccc(nc1)Cl WXVL_AK00504SC0147 [0,1,0,0,0,1|2,0,0]=4 975 B13R1.17 CCCNC(=O)c1ccc(nc1)Cl WXVL_AK00504SC0147 [0,1,0,0,0,1|2,0,0]=4 976 B13R1.17 CCCNC(=O)c1ccc(nc1)F WXVL_AK00504SC0370 [0,1,0,0,0,1|2,0,0]=4 977 B13R1.17 CCCNC(=O)c1ccc(nc1)F WXVL_AK00504SC0370 [0,1,0,0,0,1|2,0,0]=4 978 B13R1.17 CCCNC(=O)c1ccc(nc1)O WXVL_AK00504SC0057 [0,1,0,0,0,1|2,0,0]=4 979 B13R1.17 CCCNC(=O)c1ccc(nc1)O WXVL_AK00504SC0057 [0,1,0,0,0,1|2,0,0]=4 980 B13R1.17 CCCNC(=O)c1cnc(cn1)C WXVL_AK00504SC0072 [0,1,0,0,0,1|2,0,0]=4 981 B13R1.17 CCCNC(=O)c1cnc(cn1)C WXVL_AK00504SC0072 [0,1,0,0,0,1|2,0,0]=4 982 B13R1.17 CCCNC(=O)c1cnc(cn1)Cl WXVL_AK00504SC0383 [0,1,0,0,0,1|2,0,0]=4 983 B13R1.17 CCCNC(=O)c1cnc(cn1)Cl WXVL_AK00504SC0383 [0,1,0,0,0,1|2,0,0]=4 984 B13R1.17 CCCNC(=O)c1ncc(cn1)Cl WXVL_AK00504SC0029 [0,1,0,0,0,1|2,0,0]=4 985 B13R1.17 CCCNC(=O)c1ncc(cn1)Cl WXVL_AK00504SC0029 [0,1,0,0,0,1|2,0,0]=4 986 B13R1.17 O=C(NCCF)c1ccc(=O)oc1 WXVL_AK00466SC0132 [0,1,0,0,0,1|2,0,0]=4 987 B13R1.17 O=C(NCCF)c1ccc(=O)oc1 WXVL_AK00466SC0132 [0,1,0,0,0,1|2,0,0]=4 988 B13R1.18 CCCNC(=O)C1=CC=NC(=O)C1 WXVL_AK00504SC0016 [0,1,0,0,0,1|2,0,0]=4 989 B13R1.18 CCCNC(=O)C1=CC=NC(=O)C1 WXVL_AK00504SC0016 [0,1,0,0,0,1|2,0,0]=4 990 B13R1.18 CCCNC(=O)c1cc(=O)cco1 WXVL_AK00504SC0133 [0,1,0,0,0,1|1,0,0]=3 991 B13R1.18 CCCNC(=O)c1cc(=O)cco1 WXVL_AK00504SC0133 [0,1,0,0,0,1|1,0,0]=3 992 B13R1.18 CCCNC(=O)c1cc(ccn1)Br WXVL_AK00504SC0243 [0,1,0,0,0,1|2,0,0]=4 993 B13R1.18 CCCNC(=O)c1cc(ccn1)Br WXVL_AK00504SC0243 [0,1,0,0,0,1|2,0,0]=4 994 B13R1.18 CCCNC(=O)c1cc(ccn1)C WXVL_AK00504SC0235 [0,1,0,0,0,1|2,0,0]=4 995 B13R1.18 CCCNC(=O)c1cc(ccn1)C WXVL_AK00504SC0235 [0,1,0,0,0,1|2,0,0]=4 996 B13R1.18 CCCNC(=O)c1cc(ccn1)Cl WXVL_AK00504SC0373 [0,1,0,0,0,1|2,0,0]=4 997 B13R1.18 CCCNC(=O)c1cc(ccn1)Cl WXVL_AK00504SC0373 [0,1,0,0,0,1|2,0,0]=4 998 B13R1.18 CCCNC(=O)c1cc(ncn1)Cl WXVL_AK00504SC0775 [0,1,0,0,0,1|2,0,0]=4 999 B13R1.18 CCCNC(=O)c1cc(ncn1)Cl WXVL_AK00504SC0775 [0,1,0,0,0,1|2,0,0]=4 1000 B13R1.18 CCCNC(=O)c1cc(ncn1)O WXVL_AK00504SC0001 [0,1,0,0,0,1|2,0,0]=4 1001 B13R1.18 CCCNC(=O)c1cc(ncn1)O WXVL_AK00504SC0001 [0,1,0,0,0,1|2,0,0]=4 1002 B13R1.18 CCCNC(=O)c1ccc[n+](c1)[O-] WXVL_AK00504SC1039 [0,1,0,0,0,1|2,0,0]=4 1003 B13R1.18 CCCNC(=O)c1ccc[n+](c1)[O-] WXVL_AK00504SC1039 [0,1,0,0,0,1|2,0,0]=4 1004 B13R1.18 CCCNC(=O)c1cccc(c1)Br WXVL_AK00504SD0041 [0,1,0,0,0,1|2,0,0]=4 1005 B13R1.18 CCCNC(=O)c1cccc(c1)Br WXVL_AK00504SD0041 [0,1,0,0,0,1|2,0,0]=4 1006 B13R1.18 CCCNC(=O)c1cccc(c1)C WXVL_AK00504SD0056 [0,1,0,0,0,1|2,0,0]=4 1007 B13R1.18 CCCNC(=O)c1cccc(c1)C WXVL_AK00504SD0056 [0,1,0,0,0,1|2,0,0]=4 1008 B13R1.18 CCCNC(=O)c1cccc(c1)Cl WXVL_AK00504SD0045 [0,1,0,0,0,1|2,0,0]=4 1009 B13R1.18 CCCNC(=O)c1cccc(c1)Cl WXVL_AK00504SD0045 [0,1,0,0,0,1|2,0,0]=4 1010 B13R1.18 CCCNC(=O)c1cccc(c1)F WXVL_AK00504SD0043 [0,1,0,0,0,1|2,0,0]=4 1011 B13R1.18 CCCNC(=O)c1cccc(c1)F WXVL_AK00504SD0043 [0,1,0,0,0,1|2,0,0]=4 1012 B13R1.18 CCCNC(=O)c1cccc(c1)I WXVL_AK00504SD0405 [0,1,0,0,0,1|2,0,0]=4 1013 B13R1.18 CCCNC(=O)c1cccc(c1)I WXVL_AK00504SD0405 [0,1,0,0,0,1|2,0,0]=4 1014 B13R1.18 CCCNC(=O)c1cccc(c1)O WXVL_AK00504SD1724 [0,1,0,0,0,1|2,0,0]=4 1015 B13R1.18 CCCNC(=O)c1cccc(c1)O WXVL_AK00504SD1724 [0,1,0,0,0,1|2,0,0]=4 1016 B13R1.18 CCCNC(=O)c1cccc(n1)Br WXVL_AK00504SC0366 [0,1,0,0,0,1|2,0,0]=4 1017 B13R1.18 CCCNC(=O)c1cccc(n1)Br WXVL_AK00504SC0366 [0,1,0,0,0,1|2,0,0]=4 1018 B13R1.18 CCCNC(=O)c1cccc(n1)F WXVL_AK00504SC0386 [0,1,0,0,0,1|2,0,0]=4 1019 B13R1.18 CCCNC(=O)c1cccc(n1)F WXVL_AK00504SC0386 [0,1,0,0,0,1|2,0,0]=4 1020 B13R1.18 CCCNC(=O)c1cccc(n1)O WXVL_AK00504SC0084 [0,1,0,0,0,1|2,0,0]=4 1021 B13R1.18 CCCNC(=O)c1cccc(n1)O WXVL_AK00504SC0084 [0,1,0,0,0,1|2,0,0]=4 1022 B13R1.18 CCCNC(=O)c1ccnc(c1)Br WXVL_AK00504SC0349 [0,1,0,0,0,1|2,0,0]=4 1023 B13R1.18 CCCNC(=O)c1ccnc(c1)Br WXVL_AK00504SC0349 [0,1,0,0,0,1|2,0,0]=4 1024 B13R1.18 CCCNC(=O)c1ccnc(c1)C WXVL_AK00504SC0400 [0,1,0,0,0,1|2,0,0]=4 1025 B13R1.18 CCCNC(=O)c1ccnc(c1)C WXVL_AK00504SC0400 [0,1,0,0,0,1|2,0,0]=4 1026 B13R1.18 CCCNC(=O)c1ccnc(c1)Cl WXVL_AK00504SC0083 [0,1,0,0,0,1|2,0,0]=4 1027 B13R1.18 CCCNC(=O)c1ccnc(c1)Cl WXVL_AK00504SC0083 [0,1,0,0,0,1|2,0,0]=4 1028 B13R1.18 CCCNC(=O)c1ccnc(c1)F WXVL_AK00504SC0015 [0,1,0,0,0,1|2,0,0]=4 1029 B13R1.18 CCCNC(=O)c1ccnc(c1)F WXVL_AK00504SC0015 [0,1,0,0,0,1|2,0,0]=4 1030 B13R1.18 CCCNC(=O)c1ccnc(c1)O WXVL_AK00504SC0131 [0,1,0,0,0,1|2,0,0]=4 1031 B13R1.18 CCCNC(=O)c1ccnc(c1)O WXVL_AK00504SC0131 [0,1,0,0,0,1|2,0,0]=4 1032 B13R1.18 CCCNC(=O)c1ccnc(n1)C WXVL_AK00504SC0296 [0,1,0,0,0,1|2,0,0]=4 1033 B13R1.18 CCCNC(=O)c1ccnc(n1)C WXVL_AK00504SC0296 [0,1,0,0,0,1|2,0,0]=4 1034 B13R1.18 CCCNC(=O)c1ccnc(n1)Cl WXVL_AK00504SC0392 [0,1,0,0,0,1|2,0,0]=4 1035 B13R1.18 CCCNC(=O)c1ccnc(n1)Cl WXVL_AK00504SC0392 [0,1,0,0,0,1|2,0,0]=4 1036 B13R1.18 CCCNC(=O)c1cncc(c1)Br WXVL_AK00504SC0369 [0,1,0,0,0,1|2,0,0]=4 1037 B13R1.18 CCCNC(=O)c1cncc(c1)Br WXVL_AK00504SC0369 [0,1,0,0,0,1|2,0,0]=4 1038 B13R1.18 CCCNC(=O)c1cncc(c1)C WXVL_AK00504SC0095 [0,1,0,0,0,1|2,0,0]=4 1039 B13R1.18 CCCNC(=O)c1cncc(c1)C WXVL_AK00504SC0095 [0,1,0,0,0,1|2,0,0]=4 1040 B13R1.18 CCCNC(=O)c1cncc(c1)Cl WXVL_AK00504SC0291 [0,1,0,0,0,1|2,0,0]=4 1041 B13R1.18 CCCNC(=O)c1cncc(c1)Cl WXVL_AK00504SC0291 [0,1,0,0,0,1|2,0,0]=4 1042 B13R1.18 CCCNC(=O)c1cncc(c1)F WXVL_AK00504SC0102 [0,1,0,0,0,1|2,0,0]=4 1043 B13R1.18 CCCNC(=O)c1cncc(c1)F WXVL_AK00504SC0102 [0,1,0,0,0,1|2,0,0]=4 1044 B13R1.18 CCCNC(=O)c1cncc(c1)O WXVL_AK00504SC0333 [0,1,0,0,0,1|2,0,0]=4 1045 B13R1.18 CCCNC(=O)c1cncc(c1)O WXVL_AK00504SC0333 [0,1,0,0,0,1|2,0,0]=4 1046 B13R1.18 CCCNC(=O)c1cncc(n1)C WXVL_AK00504SC0391 [0,1,0,0,0,1|2,0,0]=4 1047 B13R1.18 CCCNC(=O)c1cncc(n1)C WXVL_AK00504SC0391 [0,1,0,0,0,1|2,0,0]=4 1048 B13R1.18 O=C(NCCF)c1cc(=O)cco1 WXVL_AK00466SC0133 [0,1,0,0,0,1|2,0,0]=4 1049 B13R1.18 O=C(NCCF)c1cc(=O)cco1 WXVL_AK00466SC0133 [0,1,0,0,0,1|2,0,0]=4 1050 B13R1.24 CCCCNC(=O)C1=CCCCO1 WXVL_AK00588SB4858 [0,1,0,0,0,1|0,0,2]=4 1051 B13R1.24 CCCCNC(=O)C1=CCCCO1 WXVL_AK00588SB4858 [0,1,0,0,0,1|0,0,2]=4 1052 B13R1.24 CCCCNC(=O)c1ccccc1 WXVL_AK00588SD0001 [0,1,0,0,0,1|1,0,0]=3 1053 B13R1.24 CCCCNC(=O)c1ccccc1 WXVL_AK00588SD0001 [0,1,0,0,0,1|1,0,0]=3 1054 B13R1.24 CCCCNC(=O)c1ccccn1 WXVL_AK00588SC0058 [0,1,0,0,0,1|1,0,0]=3 1055 B13R1.24 CCCCNC(=O)c1ccccn1 WXVL_AK00588SC0058 [0,1,0,0,0,1|1,0,0]=3 1056 B13R1.24 CCCCNC(=O)c1cccnc1 WXVL_AK00588SC0061 [0,1,0,0,0,1|1,0,0]=3 1057 B13R1.24 CCCCNC(=O)c1cccnc1 WXVL_AK00588SC0061 [0,1,0,0,0,1|1,0,0]=3 1058 B13R1.24 CCCCNC(=O)c1cccnn1 WXVL_AK00588SC0374 [0,1,0,0,0,1|1,0,0]=3 1059 B13R1.24 CCCCNC(=O)c1cccnn1 WXVL_AK00588SC0374 [0,1,0,0,0,1|1,0,0]=3 1060 B13R1.24 CCCCNC(=O)c1ccncc1 WXVL_AK00588SC0062 [0,1,0,0,0,1|1,0,0]=3 1061 B13R1.24 CCCCNC(=O)c1ccncc1 WXVL_AK00588SC0062 [0,1,0,0,0,1|1,0,0]=3 1062 B13R1.24 CCCCNC(=O)c1ccncn1 WXVL_AK00588SC0231 [0,1,0,0,0,1|1,0,0]=3 1063 B13R1.24 CCCCNC(=O)c1ccncn1 WXVL_AK00588SC0231 [0,1,0,0,0,1|1,0,0]=3 1064 B13R1.24 CCCCNC(=O)c1ccnnc1 WXVL_AK00588SC0064 [0,1,0,0,0,1|2,0,0]=4 1065 B13R1.24 CCCCNC(=O)c1ccnnc1 WXVL_AK00588SC0064 [0,1,0,0,0,1|2,0,0]=4 1066 B13R1.24 CCCCNC(=O)c1cncnc1 WXVL_AK00588SC0097 [0,1,0,0,0,1|2,0,0]=4 1067 B13R1.24 CCCCNC(=O)c1cncnc1 WXVL_AK00588SC0097 [0,1,0,0,0,1|2,0,0]=4 1068 B13R1.24 CCCCNC(=O)c1ncccn1 WXVL_AK00588SC0096 [0,1,0,0,0,1|1,0,0]=3 1069 B13R1.24 CCCCNC(=O)c1ncccn1 WXVL_AK00588SC0096 [0,1,0,0,0,1|1,0,0]=3 1070 B13R1.24 CSCCNC(=O)c1ccccc1 WXVL_AK00440SD0001 [0,1,0,0,0,1|2,0,0]=4 1071 B13R1.24 CSCCNC(=O)c1ccccc1 WXVL_AK00440SD0001 [0,1,0,0,0,1|2,0,0]=4 1072 B13R1.24 CSCCNC(=O)c1ccccn1 WXVL_AK00440SC0058 [0,1,0,0,0,1|2,0,0]=4 1073 B13R1.24 CSCCNC(=O)c1ccccn1 WXVL_AK00440SC0058 [0,1,0,0,0,1|2,0,0]=4 1074 B13R1.24 CSCCNC(=O)c1cccnc1 WXVL_AK00440SC0061 [0,1,0,0,0,1|2,0,0]=4 1075 B13R1.24 CSCCNC(=O)c1cccnc1 WXVL_AK00440SC0061 [0,1,0,0,0,1|2,0,0]=4 1076 B13R1.24 CSCCNC(=O)c1cccnn1 WXVL_AK00440SC0374 [0,1,0,0,0,1|2,0,0]=4 1077 B13R1.24 CSCCNC(=O)c1cccnn1 WXVL_AK00440SC0374 [0,1,0,0,0,1|2,0,0]=4 1078 B13R1.24 CSCCNC(=O)c1ccncc1 WXVL_AK00440SC0062 [0,1,0,0,0,1|2,0,0]=4 1079 B13R1.24 CSCCNC(=O)c1ccncc1 WXVL_AK00440SC0062 [0,1,0,0,0,1|2,0,0]=4 1080 B13R1.24 CSCCNC(=O)c1ccncn1 WXVL_AK00440SC0231 [0,1,0,0,0,1|2,0,0]=4 1081 B13R1.24 CSCCNC(=O)c1ccncn1 WXVL_AK00440SC0231 [0,1,0,0,0,1|2,0,0]=4 1082 B13R1.24 CSCCNC(=O)c1ncccn1 WXVL_AK00440SC0096 [0,1,0,0,0,1|2,0,0]=4 1083 B13R1.24 CSCCNC(=O)c1ncccn1 WXVL_AK00440SC0096 [0,1,0,0,0,1|2,0,0]=4 1084 B13R1.24 O=C(NCCCO)c1ccccc1 WXVL_AK0073SD0001 [0,1,0,0,0,1|2,0,0]=4 1085 B13R1.24 O=C(NCCCO)c1ccccc1 WXVL_AK0073SD0001 [0,1,0,0,0,1|2,0,0]=4 1086 B13R1.24 O=C(NCCCO)c1ccccn1 WXVL_AK0073SC0058 [0,1,0,0,0,1|2,0,0]=4 1087 B13R1.24 O=C(NCCCO)c1ccccn1 WXVL_AK0073SC0058 [0,1,0,0,0,1|2,0,0]=4 1088 B13R1.24 O=C(NCCCO)c1cccnc1 WXVL_AK0073SC0061 [0,1,0,0,0,1|2,0,0]=4 1089 B13R1.24 O=C(NCCCO)c1cccnc1 WXVL_AK0073SC0061 [0,1,0,0,0,1|2,0,0]=4 1090 B13R1.24 O=C(NCCCO)c1cccnn1 WXVL_AK0073SC0374 [0,1,0,0,0,1|2,0,0]=4 1091 B13R1.24 O=C(NCCCO)c1cccnn1 WXVL_AK0073SC0374 [0,1,0,0,0,1|2,0,0]=4 1092 B13R1.24 O=C(NCCCO)c1ccncc1 WXVL_AK0073SC0062 [0,1,0,0,0,1|2,0,0]=4 1093 B13R1.24 O=C(NCCCO)c1ccncc1 WXVL_AK0073SC0062 [0,1,0,0,0,1|2,0,0]=4 1094 B13R1.24 O=C(NCCCO)c1ccncn1 WXVL_AK0073SC0231 [0,1,0,0,0,1|2,0,0]=4 1095 B13R1.24 O=C(NCCCO)c1ccncn1 WXVL_AK0073SC0231 [0,1,0,0,0,1|2,0,0]=4 1096 B13R1.24 O=C(NCCCO)c1ncccn1 WXVL_AK0073SC0096 [0,1,0,0,0,1|2,0,0]=4 1097 B13R1.24 O=C(NCCCO)c1ncccn1 WXVL_AK0073SC0096 [0,1,0,0,0,1|2,0,0]=4 1098 B13R1.45 CC(C)CNC(=O)c1ccccc1 WXVL_AK00544SD0001 [0,1,0,0,0,1|2,0,0]=4 1099 B13R1.45 CC(C)CNC(=O)c1ccccc1 WXVL_AK00544SD0001 [0,1,0,0,0,1|2,0,0]=4 1100 B13R1.45 CC(C)CNC(=O)c1ccccn1 WXVL_AK00544SC0058 [0,1,0,0,0,1|2,0,0]=4 1101 B13R1.45 CC(C)CNC(=O)c1ccccn1 WXVL_AK00544SC0058 [0,1,0,0,0,1|2,0,0]=4 1102 B13R1.45 CC(C)CNC(=O)c1cccnc1 WXVL_AK00544SC0061 [0,1,0,0,0,1|2,0,0]=4 1103 B13R1.45 CC(C)CNC(=O)c1cccnc1 WXVL_AK00544SC0061 [0,1,0,0,0,1|2,0,0]=4 1104 B13R1.45 CC(C)CNC(=O)c1cccnn1 WXVL_AK00544SC0374 [0,1,0,0,0,1|2,0,0]=4 1105 B13R1.45 CC(C)CNC(=O)c1cccnn1 WXVL_AK00544SC0374 [0,1,0,0,0,1|2,0,0]=4 1106 B13R1.45 CC(C)CNC(=O)c1ccncc1 WXVL_AK00544SC0062 [0,1,0,0,0,1|2,0,0]=4 1107 B13R1.45 CC(C)CNC(=O)c1ccncc1 WXVL_AK00544SC0062 [0,1,0,0,0,1|2,0,0]=4 1108 B13R1.45 CC(C)CNC(=O)c1ccncn1 WXVL_AK00544SC0231 [0,1,0,0,0,1|2,0,0]=4 1109 B13R1.45 CC(C)CNC(=O)c1ccncn1 WXVL_AK00544SC0231 [0,1,0,0,0,1|2,0,0]=4 1110 B13R1.45 CC(C)CNC(=O)c1ncccn1 WXVL_AK00544SC0096 [0,1,0,0,0,1|2,0,0]=4 1111 B13R1.45 CC(C)CNC(=O)c1ncccn1 WXVL_AK00544SC0096 [0,1,0,0,0,1|2,0,0]=4 1112 B13R1.45 CC(O)CNC(=O)c1ccccc1 WXVL_AK0052SD0001 [0,1,0,0,0,1|2,0,0]=4 1113 B13R1.45 CC(O)CNC(=O)c1ccccc1 WXVL_AK0052SD0001 [0,1,0,0,0,1|2,0,0]=4 1114 B13R1.45 CC(O)CNC(=O)c1ccccn1 WXVL_AK0052SC0058 [0,1,0,0,0,1|2,0,0]=4 1115 B13R1.45 CC(O)CNC(=O)c1ccccn1 WXVL_AK0052SC0058 [0,1,0,0,0,1|2,0,0]=4 1116 B13R1.45 CC(O)CNC(=O)c1cccnc1 WXVL_AK0052SC0061 [0,1,0,0,0,1|2,0,0]=4 1117 B13R1.45 CC(O)CNC(=O)c1cccnc1 WXVL_AK0052SC0061 [0,1,0,0,0,1|2,0,0]=4 1118 B13R1.45 CC(O)CNC(=O)c1cccnn1 WXVL_AK0052SC0374 [0,1,0,0,0,1|2,0,0]=4 1119 B13R1.45 CC(O)CNC(=O)c1cccnn1 WXVL_AK0052SC0374 [0,1,0,0,0,1|2,0,0]=4 1120 B13R1.45 CC(O)CNC(=O)c1ccncc1 WXVL_AK0052SC0062 [0,1,0,0,0,1|2,0,0]=4 1121 B13R1.45 CC(O)CNC(=O)c1ccncc1 WXVL_AK0052SC0062 [0,1,0,0,0,1|2,0,0]=4 1122 B13R1.45 CC(O)CNC(=O)c1ccncn1 WXVL_AK0052SC0231 [0,1,0,0,0,1|2,0,0]=4 1123 B13R1.45 CC(O)CNC(=O)c1ccncn1 WXVL_AK0052SC0231 [0,1,0,0,0,1|2,0,0]=4 1124 B13R1.45 CC(O)CNC(=O)c1ncccn1 WXVL_AK0052SC0096 [0,1,0,0,0,1|2,0,0]=4 1125 B13R1.45 CC(O)CNC(=O)c1ncccn1 WXVL_AK0052SC0096 [0,1,0,0,0,1|2,0,0]=4 1126 B13R1.45 C[C@H](O)CNC(=O)c1ccccc1 WXVL_AK0113SD0001 [0,1,0,0,0,1|2,0,0]=4 1127 B13R1.45 C[C@H](O)CNC(=O)c1ccccc1 WXVL_AK0113SD0001 [0,1,0,0,0,1|2,0,0]=4 1128 B13R1.45 C[C@H](O)CNC(=O)c1ccccn1 WXVL_AK0113SC0058 [0,1,0,0,0,1|2,0,0]=4 1129 B13R1.45 C[C@H](O)CNC(=O)c1ccccn1 WXVL_AK0113SC0058 [0,1,0,0,0,1|2,0,0]=4 1130 B13R1.45 C[C@H](O)CNC(=O)c1cccnc1 WXVL_AK0113SC0061 [0,1,0,0,0,1|2,0,0]=4 1131 B13R1.45 C[C@H](O)CNC(=O)c1cccnc1 WXVL_AK0113SC0061 [0,1,0,0,0,1|2,0,0]=4 1132 B13R1.45 C[C@H](O)CNC(=O)c1cccnn1 WXVL_AK0113SC0374 [0,1,0,0,0,1|2,0,0]=4 1133 B13R1.45 C[C@H](O)CNC(=O)c1cccnn1 WXVL_AK0113SC0374 [0,1,0,0,0,1|2,0,0]=4 1134 B13R1.45 C[C@H](O)CNC(=O)c1ccncc1 WXVL_AK0113SC0062 [0,1,0,0,0,1|2,0,0]=4 1135 B13R1.45 C[C@H](O)CNC(=O)c1ccncc1 WXVL_AK0113SC0062 [0,1,0,0,0,1|2,0,0]=4 1136 B13R1.45 C[C@H](O)CNC(=O)c1ccncn1 WXVL_AK0113SC0231 [0,1,0,0,0,1|2,0,0]=4 1137 B13R1.45 C[C@H](O)CNC(=O)c1ccncn1 WXVL_AK0113SC0231 [0,1,0,0,0,1|2,0,0]=4 1138 B13R1.45 C[C@H](O)CNC(=O)c1ncccn1 WXVL_AK0113SC0096 [0,1,0,0,0,1|2,0,0]=4 1139 B13R1.45 C[C@H](O)CNC(=O)c1ncccn1 WXVL_AK0113SC0096 [0,1,0,0,0,1|2,0,0]=4 1140 B13R1.674 CCCNC(=O)c1ccccc1Br WXVL_AK00504SD0002 [0,1,0,0,0,1|2,0,0]=4 1141 B13R1.674 CCCNC(=O)c1ccccc1Br WXVL_AK00504SD0002 [0,1,0,0,0,1|2,0,0]=4 1142 B13R1.674 CCCNC(=O)c1ccccc1C WXVL_AK00504SD0037 [0,1,0,0,0,1|2,0,0]=4 1143 B13R1.674 CCCNC(=O)c1ccccc1C WXVL_AK00504SD0037 [0,1,0,0,0,1|2,0,0]=4 1144 B13R1.674 CCCNC(=O)c1ccccc1Cl WXVL_AK00504SD0006 [0,1,0,0,0,1|2,0,0]=4 1145 B13R1.674 CCCNC(=O)c1ccccc1Cl WXVL_AK00504SD0006 [0,1,0,0,0,1|2,0,0]=4 1146 B13R1.674 CCCNC(=O)c1ccccc1F WXVL_AK00504SD0003 [0,1,0,0,0,1|2,0,0]=4 1147 B13R1.674 CCCNC(=O)c1ccccc1F WXVL_AK00504SD0003 [0,1,0,0,0,1|2,0,0]=4 1148 B13R1.674 CCCNC(=O)c1ccccc1I WXVL_AK00504SD0303 [0,1,0,0,0,1|2,0,0]=4 1149 B13R1.674 CCCNC(=O)c1ccccc1I WXVL_AK00504SD0303 [0,1,0,0,0,1|2,0,0]=4 1150 B13R1.674 CCCNC(=O)c1ccccc1O WXVL_AK00504SD00056 [0,1,0,0,0,1|2,0,0]=4 1151 B13R1.674 CCCNC(=O)c1ccccc1O WXVL_AK00504SD00056 [0,1,0,0,0,1|2,0,0]=4 1152 B13R1.674 CCCNC(=O)c1ccccc1S WXVL_AK00504SD0153 [0,1,0,0,0,1|2,0,0]=4 1153 B13R1.674 CCCNC(=O)c1ccccc1S WXVL_AK00504SD0153 [0,1,0,0,0,1|2,0,0]=4 1154 B13R1.674 CCCNC(=O)c1cccnc1Br WXVL_AK00504SC0367 [0,1,0,0,0,1|2,0,0]=4 1155 B13R1.674 CCCNC(=O)c1cccnc1Br WXVL_AK00504SC0367 [0,1,0,0,0,1|2,0,0]=4 1156 B13R1.674 CCCNC(=O)c1cccnc1C WXVL_AK00504SC0065 [0,1,0,0,0,1|2,0,0]=4 1157 B13R1.674 CCCNC(=O)c1cccnc1C WXVL_AK00504SC0065 [0,1,0,0,0,1|2,0,0]=4 1158 B13R1.674 CCCNC(=O)c1cccnc1Cl WXVL_AK00504SC0146 [0,1,0,0,0,1|2,0,0]=4 1159 B13R1.674 CCCNC(=O)c1cccnc1Cl WXVL_AK00504SC0146 [0,1,0,0,0,1|2,0,0]=4 1160 B13R1.674 CCCNC(=O)c1cccnc1F WXVL_AK00504SC0350 [0,1,0,0,0,1|2,0,0]=4 1161 B13R1.674 CCCNC(=O)c1cccnc1F WXVL_AK00504SC0350 [0,1,0,0,0,1|2,0,0]=4 1162 B13R1.674 CCCNC(=O)c1cccnc1O WXVL_AK00504SC0063 [0,1,0,0,0,1|2,0,0]=4 1163 B13R1.674 CCCNC(=O)c1cccnc1O WXVL_AK00504SC0063 [0,1,0,0,0,1|2,0,0]=4 1164 B13R1.674 CCCNC(=O)c1ccncc1Br WXVL_AK00504SC0365 [0,1,0,0,0,1|2,0,0]=4 1165 B13R1.674 CCCNC(=O)c1ccncc1Br WXVL_AK00504SC0365 [0,1,0,0,0,1|2,0,0]=4 1166 B13R1.674 CCCNC(=O)c1ccncc1Cl WXVL_AK00504SC0375 [0,1,0,0,0,1|2,0,0]=4 1167 B13R1.674 CCCNC(=O)c1ccncc1Cl WXVL_AK00504SC0375 [0,1,0,0,0,1|2,0,0]=4 1168 B13R1.674 CCCNC(=O)c1ccncc1F WXVL_AK00504SC0320 [0,1,0,0,0,1|2,0,0]=4 1169 B13R1.674 CCCNC(=O)c1ccncc1F WXVL_AK00504SC0320 [0,1,0,0,0,1|2,0,0]=4 1170 B13R1.674 CCCNC(=O)c1ccncc1O WXVL_AK00504SC0354 [0,1,0,0,0,1|2,0,0]=4 1171 B13R1.674 CCCNC(=O)c1ccncc1O WXVL_AK00504SC0354 [0,1,0,0,0,1|2,0,0]=4 1172 B13R1.674 CCCNC(=O)c1cnccc1Br WXVL_AK00504SC0500 [0,1,0,0,0,1|2,0,0]=4 1173 B13R1.674 CCCNC(=O)c1cnccc1Br WXVL_AK00504SC0500 [0,1,0,0,0,1|2,0,0]=4 1174 B13R1.674 CCCNC(=O)c1cnccc1C WXVL_AK00504SC0301 [0,1,0,0,0,1|2,0,0]=4 1175 B13R1.674 CCCNC(=O)c1cnccc1C WXVL_AK00504SC0301 [0,1,0,0,0,1|2,0,0]=4 1176 B13R1.674 CCCNC(=O)c1cnccc1Cl WXVL_AK00504SC0340 [0,1,0,0,0,1|2,0,0]=4 1177 B13R1.674 CCCNC(=O)c1cnccc1Cl WXVL_AK00504SC0340 [0,1,0,0,0,1|2,0,0]=4 1178 B13R1.674 CCCNC(=O)c1ncccc1Br WXVL_AK00504SC0501 [0,1,0,0,0,1|2,0,0]=4 1179 B13R1.674 CCCNC(=O)c1ncccc1Br WXVL_AK00504SC0501 [0,1,0,0,0,1|2,0,0]=4 1180 B13R1.674 CCCNC(=O)c1ncccc1C WXVL_AK00504SC0008 [0,1,0,0,0,1|2,0,0]=4 1181 B13R1.674 CCCNC(=O)c1ncccc1C WXVL_AK00504SC0008 [0,1,0,0,0,1|2,0,0]=4 1182 B13R1.674 CCCNC(=O)c1ncccc1Cl WXVL_AK00504SC0609 [0,1,0,0,0,1|2,0,0]=4 1183 B13R1.674 CCCNC(=O)c1ncccc1Cl WXVL_AK00504SC0609 [0,1,0,0,0,1|2,0,0]=4 1184 B13R1.674 CCCNC(=O)c1ncccc1F WXVL_AK00504SC0773 [0,1,0,0,0,1|2,0,0]=4 1185 B13R1.674 CCCNC(=O)c1ncccc1F WXVL_AK00504SC0773 [0,1,0,0,0,1|2,0,0]=4 1186 B13R1.674 CCCNC(=O)c1nccnc1Br WXVL_AK00504SC0785 [0,1,0,0,0,1|2,0,0]=4 1187 B13R1.674 CCCNC(=O)c1nccnc1Br WXVL_AK00504SC0785 [0,1,0,0,0,1|2,0,0]=4 1188 B13R1.674 CCCNC(=O)c1nccnc1Cl WXVL_AK00504SC0361 [0,1,0,0,0,1|2,0,0]=4 1189 B13R1.674 CCCNC(=O)c1nccnc1Cl WXVL_AK00504SC0361 [0,1,0,0,0,1|2,0,0]=4 1190 B13R1.43 CCCNC(=O)Cc1cc(cs1)Br WXVL_AK00504SA0181 [0,1,0,0,0,1|1,1,0]=4 1191 B13R1.43 CCCNC(=O)Cc1cc(cs1)Br WXVL_AK00504SA0181 [0,1,0,0,0,1|1,1,0]=4 1192 B13R1.43 CCCNC(=O)Cc1cc(no1)C WXVL_AK00504SA0039 [0,1,0,0,0,1|2,0,0]=4 1193 B13R1.43 CCCNC(=O)Cc1cc(no1)C WXVL_AK00504SA0039 [0,1,0,0,0,1|2,0,0]=4 1194 B13R1.43 CCCNC(=O)Cc1ccc(s1)Cl WXVL_AK00504SA0043 [0,1,0,0,0,1|1,1,0]=4 1195 B13R1.43 CCCNC(=O)Cc1ccc(s1)Cl WXVL_AK00504SA0043 [0,1,0,0,0,1|1,1,0]=4 1196 B13R1.43 CCOCC(=O)Nc1cc(no1)C WXVL_AF0001SB0091 [0,1,0,0,0,1|2,0,0]=4 1197 B13R1.43 CCOCC(=O)Nc1cc(no1)C WXVL_AF0001SB0091 [0,1,0,0,0,1|2,0,0]=4 1198 B13R1.43 CCOCC(=O)Nc1nc(co1)C WXVL_AF0249SB0091 [0,1,0,0,0,1|2,0,0]=4 1199 B13R1.43 CCOCC(=O)Nc1nc(co1)C WXVL_AF0249SB0091 [0,1,0,0,0,1|2,0,0]=4 1200 B13R1.43 CCSCC(=O)Nc1cc(no1)C WXVL_AF0001SB0002 [0,1,0,0,0,1|2,0,0]=4 1201 B13R1.43 CCSCC(=O)Nc1cc(no1)C WXVL_AF0001SB0002 [0,1,0,0,0,1|2,0,0]=4 1202 B13R1.43 CCSCC(=O)Nc1nc(co1)C WXVL_AF0249SB0002 [0,1,0,0,0,1|2,0,0]=4 1203 B13R1.43 CCSCC(=O)Nc1nc(co1)C WXVL_AF0249SB0002 [0,1,0,0,0,1|2,0,0]=4 1204 B13R1.43 COCCC(=O)Nc1cc(no1)C WXVL_AF0001SB0156 [0,1,0,0,0,1|2,0,0]=4 1205 B13R1.43 COCCC(=O)Nc1cc(no1)C WXVL_AF0001SB0156 [0,1,0,0,0,1|2,0,0]=4 1206 B13R1.43 COCCC(=O)Nc1nc(co1)C WXVL_AF0249SB0156 [0,1,0,0,0,1|2,0,0]=4 1207 B13R1.43 COCCC(=O)Nc1nc(co1)C WXVL_AF0249SB0156 [0,1,0,0,0,1|2,0,0]=4 1208 B13R1.43 CSCCC(=O)Nc1cc(no1)C WXVL_AF0001SB0361 [0,1,0,0,0,1|2,0,0]=4 1209 B13R1.43 CSCCC(=O)Nc1cc(no1)C WXVL_AF0001SB0361 [0,1,0,0,0,1|2,0,0]=4 1210 B13R1.43 CSCCC(=O)Nc1nc(co1)C WXVL_AF0249SB0361 [0,1,0,0,0,1|2,0,0]=4 1211 B13R1.43 CSCCC(=O)Nc1nc(co1)C WXVL_AF0249SB0361 [0,1,0,0,0,1|2,0,0]=4 1212 B13R1.66 CCCC(C)C(=O)Nc1cc[nH]n1 WXVL_AF2373SB0352 [0,1,0,0,0,1|2,0,0]=4 1213 B13R1.66 CCCC(C)C(=O)Nc1cc[nH]n1 WXVL_AF2373SB0352 [0,1,0,0,0,1|2,0,0]=4 1214 B13R1.66 CCCC(C)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB0352 [0,1,0,0,0,1|2,0,0]=4 1215 B13R1.66 CCCC(C)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB0352 [0,1,0,0,0,1|2,0,0]=4 1216 B13R1.66 CCCC(C)C(=O)Nc1ccno1 WXVL_AF0588SB0352 [0,1,0,0,0,1|1,0,0]=3 1217 B13R1.66 CCCC(C)C(=O)Nc1ccno1 WXVL_AF0588SB0352 [0,1,0,0,0,1|1,0,0]=3 1218 B13R1.66 CCCC(C)C(=O)Nc1ccns1 WXVL_AF00325SB0352 [0,1,0,0,0,1|1,1,0]=4 1219 B13R1.66 CCCC(C)C(=O)Nc1ccns1 WXVL_AF00325SB0352 [0,1,0,0,0,1|1,1,0]=4 1220 B13R1.66 CCCC(C)C(=O)Nc1ccon1 WXVL_AF0028SB0352 [0,1,0,0,0,1|2,0,0]=4 1221 B13R1.66 CCCC(C)C(=O)Nc1ccon1 WXVL_AF0028SB0352 [0,1,0,0,0,1|2,0,0]=4 1222 B13R1.66 CCCC(C)C(=O)Nc1ccsc1 WXVL_AF00105SB0352 [0,1,0,0,0,1|2,0,0]=4 1223 B13R1.66 CCCC(C)C(=O)Nc1ccsc1 WXVL_AF00105SB0352 [0,1,0,0,0,1|2,0,0]=4 1224 B13R1.66 CCCC(C)C(=O)Nc1cnc[nH]1 WXVL_AF00103SB0352 [0,1,0,0,0,1|2,0,0]=4 1225 B13R1.66 CCCC(C)C(=O)Nc1cnc[nH]1 WXVL_AF00103SB0352 [0,1,0,0,0,1|2,0,0]=4 1226 B13R1.66 CCCC(C)C(=O)Nc1cncs1 WXVL_AF0724SB0352 [0,1,0,0,0,1|1,1,0]=4 1227 B13R1.66 CCCC(C)C(=O)Nc1cncs1 WXVL_AF0724SB0352 [0,1,0,0,0,1|1,1,0]=4 1228 B13R1.66 CCCC(C)C(=O)Nc1cscn1 WXVL_AF00216SB0352 [0,1,0,0,0,1|2,0,0]=4 1229 B13R1.66 CCCC(C)C(=O)Nc1cscn1 WXVL_AF00216SB0352 [0,1,0,0,0,1|2,0,0]=4 1230 B13R1.66 CCCC(C)C(=O)Nc1ncc[nH]1 WXVL_AF0297SB0352 [0,1,0,0,0,1|2,0,0]=4 1231 B13R1.66 CCCC(C)C(=O)Nc1ncc[nH]1 WXVL_AF0297SB0352 [0,1,0,0,0,1|2,0,0]=4 1232 B13R1.66 CCCC(C)C(=O)Nc1ncco1 WXVL_AF0235SB0352 [0,1,0,0,0,1|1,0,0]=3 1233 B13R1.66 CCCC(C)C(=O)Nc1ncco1 WXVL_AF0235SB0352 [0,1,0,0,0,1|1,0,0]=3 1234 B13R1.66 CCCC(C)C(=O)Nc1nccs1 WXVL_AF0003SB0352 [0,1,0,0,0,1|1,1,0]=4 1235 B13R1.66 CCCC(C)C(=O)Nc1nccs1 WXVL_AF0003SB0352 [0,1,0,0,0,1|1,1,0]=4 1236 B13R1.66 CCCC(C)C(=O)Nc1nnco1 WXVL_AF0087SB0352 [0,1,0,0,0,1|2,0,0]=4 1237 B13R1.66 CCCC(C)C(=O)Nc1nnco1 WXVL_AF0087SB0352 [0,1,0,0,0,1|2,0,0]=4 1238 B13R1.66 CCC[C@H](O)C(=O)Nc1cc[nH]n1 WXVL_AF2373SB3627 [0,1,0,0,0,1|2,0,0]=4 1239 B13R1.66 CCC[C@H](O)C(=O)Nc1cc[nH]n1 WXVL_AF2373SB3627 [0,1,0,0,0,1|2,0,0]=4 1240 B13R1.66 CCC[C@H](O)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB3627 [0,1,0,0,0,1|2,0,0]=4 1241 B13R1.66 CCC[C@H](O)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB3627 [0,1,0,0,0,1|2,0,0]=4 1242 B13R1.66 CCC[C@H](O)C(=O)Nc1ccno1 WXVL_AF0588SB3627 [0,1,0,0,0,1|1,0,0]=3 1243 B13R1.66 CCC[C@H](O)C(=O)Nc1ccno1 WXVL_AF0588SB3627 [0,1,0,0,0,1|1,0,0]=3 1244 B13R1.66 CCC[C@H](O)C(=O)Nc1ccns1 WXVL_AF00325SB3627 [0,1,0,0,0,1|1,1,0]=4 1245 B13R1.66 CCC[C@H](O)C(=O)Nc1ccns1 WXVL_AF00325SB3627 [0,1,0,0,0,1|1,1,0]=4 1246 B13R1.66 CCC[C@H](O)C(=O)Nc1ccon1 WXVL_AF0028SB3627 [0,1,0,0,0,1|2,0,0]=4 1247 B13R1.66 CCC[C@H](O)C(=O)Nc1ccon1 WXVL_AF0028SB3627 [0,1,0,0,0,1|2,0,0]=4 1248 B13R1.66 CCC[C@H](O)C(=O)Nc1ccsc1 WXVL_AF00105SB3627 [0,1,0,0,0,1|2,0,0]=4 1249 B13R1.66 CCC[C@H](O)C(=O)Nc1ccsc1 WXVL_AF00105SB3627 [0,1,0,0,0,1|2,0,0]=4 1250 B13R1.66 CCC[C@H](O)C(=O)Nc1cnc[nH]1 WXVL_AF00103SB3627 [0,1,0,0,0,1|2,0,0]=4 1251 B13R1.66 CCC[C@H](O)C(=O)Nc1cnc[nH]1 WXVL_AF00103SB3627 [0,1,0,0,0,1|2,0,0]=4 1252 B13R1.66 CCC[C@H](O)C(=O)Nc1cncs1 WXVL_AF0724SB3627 [0,1,0,0,0,1|1,1,0]=4 1253 B13R1.66 CCC[C@H](O)C(=O)Nc1cncs1 WXVL_AF0724SB3627 [0,1,0,0,0,1|1,1,0]=4 1254 B13R1.66 CCC[C@H](O)C(=O)Nc1cscn1 WXVL_AF00216SB3627 [0,1,0,0,0,1|2,0,0]=4 1255 B13R1.66 CCC[C@H](O)C(=O)Nc1cscn1 WXVL_AF00216SB3627 [0,1,0,0,0,1|2,0,0]=4 1256 B13R1.66 CCC[C@H](O)C(=O)Nc1ncc[nH]1 WXVL_AF0297SB3627 [0,1,0,0,0,1|2,0,0]=4 1257 B13R1.66 CCC[C@H](O)C(=O)Nc1ncc[nH]1 WXVL_AF0297SB3627 [0,1,0,0,0,1|2,0,0]=4 1258 B13R1.66 CCC[C@H](O)C(=O)Nc1ncco1 WXVL_AF0235SB3627 [0,1,0,0,0,1|1,0,0]=3 1259 B13R1.66 CCC[C@H](O)C(=O)Nc1ncco1 WXVL_AF0235SB3627 [0,1,0,0,0,1|1,0,0]=3 1260 B13R1.66 CCC[C@H](O)C(=O)Nc1nccs1 WXVL_AF0003SB3627 [0,1,0,0,0,1|1,1,0]=4 1261 B13R1.66 CCC[C@H](O)C(=O)Nc1nccs1 WXVL_AF0003SB3627 [0,1,0,0,0,1|1,1,0]=4 1262 B13R1.66 CCC[C@H](O)C(=O)Nc1nnco1 WXVL_AF0087SB3627 [0,1,0,0,0,1|2,0,0]=4 1263 B13R1.66 CCC[C@H](O)C(=O)Nc1nnco1 WXVL_AF0087SB3627 [0,1,0,0,0,1|2,0,0]=4 1264 B13R1.156 C#CCCCC(=O)Nc1ccno1 WXVL_AF0588SB2709 [0,1,0,0,0,1|1,0,1]=4 1265 B13R1.156 C#CCCCC(=O)Nc1ccno1 WXVL_AF0588SB2709 [0,1,0,0,0,1|1,0,1]=4 1266 B13R1.156 C#CCCCC(=O)Nc1ncco1 WXVL_AF0235SB2709 [0,1,0,0,0,1|1,0,1]=4 1267 B13R1.156 C#CCCCC(=O)Nc1ncco1 WXVL_AF0235SB2709 [0,1,0,0,0,1|1,0,1]=4 1268 B13R1.156 C=CCCCC(=O)Nc1ccno1 WXVL_AF0588SB2920 [0,1,0,0,0,1|1,0,1]=4 1269 B13R1.156 C=CCCCC(=O)Nc1ccno1 WXVL_AF0588SB2920 [0,1,0,0,0,1|1,0,1]=4 1270 B13R1.156 C=CCCCC(=O)Nc1ncco1 WXVL_AF0235SB2920 [0,1,0,0,0,1|1,0,1]=4 1271 B13R1.156 C=CCCCC(=O)Nc1ncco1 WXVL_AF0235SB2920 [0,1,0,0,0,1|1,0,1]=4 1272 B13R1.156 CC/C=C/CC(=O)Nc1ccno1 WXVL_AF0588SB0349 [0,1,0,0,0,1|1,0,1]=4 1273 B13R1.156 CC/C=C/CC(=O)Nc1ccno1 WXVL_AF0588SB0349 [0,1,0,0,0,1|1,0,1]=4 1274 B13R1.156 CC/C=C/CC(=O)Nc1ncco1 WXVL_AF0235SB0349 [0,1,0,0,0,1|1,0,1]=4 1275 B13R1.156 CC/C=C/CC(=O)Nc1ncco1 WXVL_AF0235SB0349 [0,1,0,0,0,1|1,0,1]=4 1276 B13R1.156 CCCCNC(=O)Cc1cccs1 WXVL_AK00588SA0018 [0,1,0,0,0,1|0,1,0]=3 1277 B13R1.156 CCCCNC(=O)Cc1cccs1 WXVL_AK00588SA0018 [0,1,0,0,0,1|0,1,0]=3 1278 B13R1.156 CCCCNC(=O)Cc1ccn[nH]1 WXVL_AK00588SA00008 [0,1,0,0,0,1|2,0,0]=4 1279 B13R1.156 CCCCNC(=O)Cc1ccn[nH]1 WXVL_AK00588SA00008 [0,1,0,0,0,1|2,0,0]=4 1280 B13R1.156 CCCCNC(=O)Cc1ccsc1 WXVL_AK00588SA0020 [0,1,0,0,0,1|2,0,0]=4 1281 B13R1.156 CCCCNC(=O)Cc1ccsc1 WXVL_AK00588SA0020 [0,1,0,0,0,1|2,0,0]=4 1282 B13R1.156 CCCCNC(=O)Cc1cscn1 WXVL_AK00588SA0012 [0,1,0,0,0,1|2,0,0]=4 1283 B13R1.156 CCCCNC(=O)Cc1cscn1 WXVL_AK00588SA0012 [0,1,0,0,0,1|2,0,0]=4 1284 B13R1.156 CCCCNC(=O)Cn1cccn1 WXVL_AK00588SA0030 [0,1,0,0,0,1|2,0,0]=4 1285 B13R1.156 CCCCNC(=O)Cn1cccn1 WXVL_AK00588SA0030 [0,1,0,0,0,1|2,0,0]=4 1286 B13R1.156 CSCCNC(=O)Cc1cccs1 WXVL_AK00440SA0018 [0,1,0,0,0,1|1,1,0]=4 1287 B13R1.156 CSCCNC(=O)Cc1cccs1 WXVL_AK00440SA0018 [0,1,0,0,0,1|1,1,0]=4 1288 B13R1.156 O=C(CCCCBr)Nc1cc[nH]n1 WXVL_AF2373SB3153 [0,1,0,0,0,1|2,0,0]=4 1289 B13R1.156 O=C(CCCCBr)Nc1cc[nH]n1 WXVL_AF2373SB3153 [0,1,0,0,0,1|2,0,0]=4 1290 B13R1.156 O=C(CCCCBr)Nc1ccn[nH]1 WXVL_AF0122SB3153 [0,1,0,0,0,1|2,0,0]=4 1291 B13R1.156 O=C(CCCCBr)Nc1ccn[nH]1 WXVL_AF0122SB3153 [0,1,0,0,0,1|2,0,0]=4 1292 B13R1.156 O=C(CCCCBr)Nc1ccno1 WXVL_AF0588SB3153 [0,1,0,0,0,1|1,0,0]=3 1293 B13R1.156 O=C(CCCCBr)Nc1ccno1 WXVL_AF0588SB3153 [0,1,0,0,0,1|1,0,0]=3 1294 B13R1.156 O=C(CCCCBr)Nc1ccns1 WXVL_AF00325SB3153 [0,1,0,0,0,1|1,1,0]=4 1295 B13R1.156 O=C(CCCCBr)Nc1ccns1 WXVL_AF00325SB3153 [0,1,0,0,0,1|1,1,0]=4 1296 B13R1.156 O=C(CCCCBr)Nc1ccon1 WXVL_AF0028SB3153 [0,1,0,0,0,1|2,0,0]=4 1297 B13R1.156 O=C(CCCCBr)Nc1ccon1 WXVL_AF0028SB3153 [0,1,0,0,0,1|2,0,0]=4 1298 B13R1.156 O=C(CCCCBr)Nc1ccsc1 WXVL_AF00105SB3153 [0,1,0,0,0,1|2,0,0]=4 1299 B13R1.156 O=C(CCCCBr)Nc1ccsc1 WXVL_AF00105SB3153 [0,1,0,0,0,1|2,0,0]=4 1300 B13R1.156 O=C(CCCCBr)Nc1cnc[nH]1 WXVL_AF00103SB3153 [0,1,0,0,0,1|2,0,0]=4 1301 B13R1.156 O=C(CCCCBr)Nc1cnc[nH]1 WXVL_AF00103SB3153 [0,1,0,0,0,1|2,0,0]=4 1302 B13R1.156 O=C(CCCCBr)Nc1cncs1 WXVL_AF0724SB3153 [0,1,0,0,0,1|1,1,0]=4 1303 B13R1.156 O=C(CCCCBr)Nc1cncs1 WXVL_AF0724SB3153 [0,1,0,0,0,1|1,1,0]=4 1304 B13R1.156 O=C(CCCCBr)Nc1cscn1 WXVL_AF00216SB3153 [0,1,0,0,0,1|2,0,0]=4 1305 B13R1.156 O=C(CCCCBr)Nc1cscn1 WXVL_AF00216SB3153 [0,1,0,0,0,1|2,0,0]=4 1306 B13R1.156 O=C(CCCCBr)Nc1ncc[nH]1 WXVL_AF0297SB3153 [0,1,0,0,0,1|2,0,0]=4 1307 B13R1.156 O=C(CCCCBr)Nc1ncc[nH]1 WXVL_AF0297SB3153 [0,1,0,0,0,1|2,0,0]=4 1308 B13R1.156 O=C(CCCCBr)Nc1ncco1 WXVL_AF0235SB3153 [0,1,0,0,0,1|1,0,0]=3 1309 B13R1.156 O=C(CCCCBr)Nc1ncco1 WXVL_AF0235SB3153 [0,1,0,0,0,1|1,0,0]=3 1310 B13R1.156 O=C(CCCCBr)Nc1nccs1 WXVL_AF0003SB3153 [0,1,0,0,0,1|1,1,0]=4 1311 B13R1.156 O=C(CCCCBr)Nc1nccs1 WXVL_AF0003SB3153 [0,1,0,0,0,1|1,1,0]=4 1312 B13R1.156 O=C(CCCCBr)Nc1nnco1 WXVL_AF0087SB3153 [0,1,0,0,0,1|2,0,0]=4 1313 B13R1.156 O=C(CCCCBr)Nc1nnco1 WXVL_AF0087SB3153 [0,1,0,0,0,1|2,0,0]=4 1314 B13R1.156 O=C(CCCCCl)Nc1cc[nH]n1 WXVL_AF2373SB0379 [0,1,0,0,0,1|2,0,0]=4 1315 B13R1.156 O=C(CCCCCl)Nc1cc[nH]n1 WXVL_AF2373SB0379 [0,1,0,0,0,1|2,0,0]=4 1316 B13R1.156 O=C(CCCCCl)Nc1ccn[nH]1 WXVL_AF0122SB0379 [0,1,0,0,0,1|2,0,0]=4 1317 B13R1.156 O=C(CCCCCl)Nc1ccn[nH]1 WXVL_AF0122SB0379 [0,1,0,0,0,1|2,0,0]=4 1318 B13R1.156 O=C(CCCCCl)Nc1ccno1 WXVL_AF0588SB0379 [0,1,0,0,0,1|1,0,0]=3 1319 B13R1.156 O=C(CCCCCl)Nc1ccno1 WXVL_AF0588SB0379 [0,1,0,0,0,1|1,0,0]=3 1320 B13R1.156 O=C(CCCCCl)Nc1ccns1 WXVL_AF00325SB0379 [0,1,0,0,0,1|1,1,0]=4 1321 B13R1.156 O=C(CCCCCl)Nc1ccns1 WXVL_AF00325SB0379 [0,1,0,0,0,1|1,1,0]=4 1322 B13R1.156 O=C(CCCCCl)Nc1ccon1 WXVL_AF0028SB0379 [0,1,0,0,0,1|2,0,0]=4 1323 B13R1.156 O=C(CCCCCl)Nc1ccon1 WXVL_AF0028SB0379 [0,1,0,0,0,1|2,0,0]=4 1324 B13R1.156 O=C(CCCCCl)Nc1ccsc1 WXVL_AF00105SB0379 [0,1,0,0,0,1|2,0,0]=4 1325 B13R1.156 O=C(CCCCCl)Nc1ccsc1 WXVL_AF00105SB0379 [0,1,0,0,0,1|2,0,0]=4 1326 B13R1.156 O=C(CCCCCl)Nc1cnc[nH]1 WXVL_AF00103SB0379 [0,1,0,0,0,1|2,0,0]=4 1327 B13R1.156 O=C(CCCCCl)Nc1cnc[nH]1 WXVL_AF00103SB0379 [0,1,0,0,0,1|2,0,0]=4 1328 B13R1.156 O=C(CCCCCl)Nc1cncs1 WXVL_AF0724SB0379 [0,1,0,0,0,1|1,1,0]=4 1329 B13R1.156 O=C(CCCCCl)Nc1cncs1 WXVL_AF0724SB0379 [0,1,0,0,0,1|1,1,0]=4 1330 B13R1.156 O=C(CCCCCl)Nc1cscn1 WXVL_AF00216SB0379 [0,1,0,0,0,1|2,0,0]=4 1331 B13R1.156 O=C(CCCCCl)Nc1cscn1 WXVL_AF00216SB0379 [0,1,0,0,0,1|2,0,0]=4 1332 B13R1.156 O=C(CCCCCl)Nc1ncc[nH]1 WXVL_AF0297SB0379 [0,1,0,0,0,1|2,0,0]=4 1333 B13R1.156 O=C(CCCCCl)Nc1ncc[nH]1 WXVL_AF0297SB0379 [0,1,0,0,0,1|2,0,0]=4 1334 B13R1.156 O=C(CCCCCl)Nc1ncco1 WXVL_AF0235SB0379 [0,1,0,0,0,1|1,0,0]=3 1335 B13R1.156 O=C(CCCCCl)Nc1ncco1 WXVL_AF0235SB0379 [0,1,0,0,0,1|1,0,0]=3 1336 B13R1.156 O=C(CCCCCl)Nc1nccs1 WXVL_AF0003SB0379 [0,1,0,0,0,1|1,1,0]=4 1337 B13R1.156 O=C(CCCCCl)Nc1nccs1 WXVL_AF0003SB0379 [0,1,0,0,0,1|1,1,0]=4 1338 B13R1.156 O=C(CCCCCl)Nc1nnco1 WXVL_AF0087SB0379 [0,1,0,0,0,1|2,0,0]=4 1339 B13R1.156 O=C(CCCCCl)Nc1nnco1 WXVL_AF0087SB0379 [0,1,0,0,0,1|2,0,0]=4 1340 B13R1.156 O=C(Cc1cccs1)NCCCO WXVL_AK0073SA0018 [0,1,0,0,0,1|1,1,0]=4 1341 B13R1.156 O=C(Cc1cccs1)NCCCO WXVL_AK0073SA0018 [0,1,0,0,0,1|1,1,0]=4 1342 B13R1.156 O=C(NCCCCl)Nc1ccno1 WXVL_AF0588YV0130 [0,1,0,0,0,1|2,0,0]=4 1343 B13R1.156 O=C(NCCCCl)Nc1ccno1 WXVL_AF0588YV0130 [0,1,0,0,0,1|2,0,0]=4 1344 B13R1.156 O=C(NCCCCl)Nc1ncco1 WXVL_AF0235YV0130 [0,1,0,0,0,1|2,0,0]=4 1345 B13R1.156 O=C(NCCCCl)Nc1ncco1 WXVL_AF0235YV0130 [0,1,0,0,0,1|2,0,0]=4 1346 B13R1.166 CCCNC(=O)C(=O)c1ccco1 WXVL_AK00504SA0049 [0,1,0,0,0,1|1,0,0]=3 1347 B13R1.166 CCCNC(=O)C(=O)c1ccco1 WXVL_AK00504SA0049 [0,1,0,0,0,1|1,0,0]=3 1348 B13R1.166 CCCNC(=O)C(C)c1cccs1 WXVL_AK00504SA1203 [0,1,0,0,0,1|1,1,0]=4 1349 B13R1.166 CCCNC(=O)C(C)c1cccs1 WXVL_AK00504SA1203 [0,1,0,0,0,1|1,1,0]=4 1350 B13R1.166 O=C(NCCF)C(=O)c1ccco1 WXVL_AK00466SA0049 [0,1,0,0,0,1|2,0,0]=4 1351 B13R1.166 O=C(NCCF)C(=O)c1ccco1 WXVL_AK00466SA0049 [0,1,0,0,0,1|2,0,0]=4 1352 B13R1.344 CC(=O)CCC(=O)Nc1ccno1 WXVL_AF0588SB0072 [0,1,0,0,0,1|1,0,1]=4 1353 B13R1.344 CC(=O)CCC(=O)Nc1ccno1 WXVL_AF0588SB0072 [0,1,0,0,0,1|1,0,1]=4 1354 B13R1.344 CC(=O)CCC(=O)Nc1ncco1 WXVL_AF0235SB0072 [0,1,0,0,0,1|1,0,1]=4 1355 B13R1.344 CC(=O)CCC(=O)Nc1ncco1 WXVL_AF0235SB0072 [0,1,0,0,0,1|1,0,1]=4 1356 B13R1.344 CC(C)CCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0354 [0,1,0,0,0,1|2,0,0]=4 1357 B13R1.344 CC(C)CCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0354 [0,1,0,0,0,1|2,0,0]=4 1358 B13R1.344 CC(C)CCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0354 [0,1,0,0,0,1|2,0,0]=4 1359 B13R1.344 CC(C)CCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0354 [0,1,0,0,0,1|2,0,0]=4 1360 B13R1.344 CC(C)CCC(=O)Nc1ccno1 WXVL_AF0588SB0354 [0,1,0,0,0,1|1,0,0]=3 1361 B13R1.344 CC(C)CCC(=O)Nc1ccno1 WXVL_AF0588SB0354 [0,1,0,0,0,1|1,0,0]=3 1362 B13R1.344 CC(C)CCC(=O)Nc1ccns1 WXVL_AF00325SB0354 [0,1,0,0,0,1|1,1,0]=4 1363 B13R1.344 CC(C)CCC(=O)Nc1ccns1 WXVL_AF00325SB0354 [0,1,0,0,0,1|1,1,0]=4 1364 B13R1.344 CC(C)CCC(=O)Nc1ccon1 WXVL_AF0028SB0354 [0,1,0,0,0,1|2,0,0]=4 1365 B13R1.344 CC(C)CCC(=O)Nc1ccon1 WXVL_AF0028SB0354 [0,1,0,0,0,1|2,0,0]=4 1366 B13R1.344 CC(C)CCC(=O)Nc1ccsc1 WXVL_AF00105SB0354 [0,1,0,0,0,1|2,0,0]=4 1367 B13R1.344 CC(C)CCC(=O)Nc1ccsc1 WXVL_AF00105SB0354 [0,1,0,0,0,1|2,0,0]=4 1368 B13R1.344 CC(C)CCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0354 [0,1,0,0,0,1|2,0,0]=4 1369 B13R1.344 CC(C)CCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0354 [0,1,0,0,0,1|2,0,0]=4 1370 B13R1.344 CC(C)CCC(=O)Nc1cncs1 WXVL_AF0724SB0354 [0,1,0,0,0,1|1,1,0]=4 1371 B13R1.344 CC(C)CCC(=O)Nc1cncs1 WXVL_AF0724SB0354 [0,1,0,0,0,1|1,1,0]=4 1372 B13R1.344 CC(C)CCC(=O)Nc1cscn1 WXVL_AF00216SB0354 [0,1,0,0,0,1|2,0,0]=4 1373 B13R1.344 CC(C)CCC(=O)Nc1cscn1 WXVL_AF00216SB0354 [0,1,0,0,0,1|2,0,0]=4 1374 B13R1.344 CC(C)CCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0354 [0,1,0,0,0,1|2,0,0]=4 1375 B13R1.344 CC(C)CCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0354 [0,1,0,0,0,1|2,0,0]=4 1376 B13R1.344 CC(C)CCC(=O)Nc1ncco1 WXVL_AF0235SB0354 [0,1,0,0,0,1|1,0,0]=3 1377 B13R1.344 CC(C)CCC(=O)Nc1ncco1 WXVL_AF0235SB0354 [0,1,0,0,0,1|1,0,0]=3 1378 B13R1.344 CC(C)CCC(=O)Nc1nccs1 WXVL_AF0003SB0354 [0,1,0,0,0,1|1,1,0]=4 1379 B13R1.344 CC(C)CCC(=O)Nc1nccs1 WXVL_AF0003SB0354 [0,1,0,0,0,1|1,1,0]=4 1380 B13R1.344 CC(C)CCC(=O)Nc1nnco1 WXVL_AF0087SB0354 [0,1,0,0,0,1|2,0,0]=4 1381 B13R1.344 CC(C)CCC(=O)Nc1nnco1 WXVL_AF0087SB0354 [0,1,0,0,0,1|2,0,0]=4 1382 B13R1.344 CC(C)CNC(=O)Cc1cccs1 WXVL_AK00544SA0018 [0,1,0,0,0,1|1,1,0]=4 1383 B13R1.344 CC(C)CNC(=O)Cc1cccs1 WXVL_AK00544SA0018 [0,1,0,0,0,1|1,1,0]=4 1384 B13R1.344 CC(C)OCC(=O)Nc1ccno1 WXVL_AF0588SB0213 [0,1,0,0,0,1|2,0,0]=4 1385 B13R1.344 CC(C)OCC(=O)Nc1ccno1 WXVL_AF0588SB0213 [0,1,0,0,0,1|2,0,0]=4 1386 B13R1.344 CC(C)OCC(=O)Nc1ncco1 WXVL_AF0235SB0213 [0,1,0,0,0,1|2,0,0]=4 1387 B13R1.344 CC(C)OCC(=O)Nc1ncco1 WXVL_AF0235SB0213 [0,1,0,0,0,1|2,0,0]=4 1388 B13R1.344 CC(O)CNC(=O)Cc1cccs1 WXVL_AK0052SA0018 [0,1,0,0,0,1|1,1,0]=4 1389 B13R1.344 CC(O)CNC(=O)Cc1cccs1 WXVL_AK0052SA0018 [0,1,0,0,0,1|1,1,0]=4 1390 B13R1.344 CN(C)CCC(=O)Nc1ccno1 WXVL_AF0588SB00052 [0,1,0,0,0,1|2,0,0]=4 1391 B13R1.344 CN(C)CCC(=O)Nc1ccno1 WXVL_AF0588SB00052 [0,1,0,0,0,1|2,0,0]=4 1392 B13R1.344 CN(C)CCC(=O)Nc1ncco1 WXVL_AF0235SB00052 [0,1,0,0,0,1|2,0,0]=4 1393 B13R1.344 CN(C)CCC(=O)Nc1ncco1 WXVL_AF0235SB00052 [0,1,0,0,0,1|2,0,0]=4 1394 B13R1.344 C[C@H](O)CNC(=O)Cc1cccs1 WXVL_AK0113SA0018 [0,1,0,0,0,1|1,1,0]=4 1395 B13R1.344 C[C@H](O)CNC(=O)Cc1cccs1 WXVL_AK0113SA0018 [0,1,0,0,0,1|1,1,0]=4 1396 B13R1.545 CCC(C)CC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0353 [0,1,0,0,0,1|2,0,0]=4 1397 B13R1.545 CCC(C)CC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0353 [0,1,0,0,0,1|2,0,0]=4 1398 B13R1.545 CCC(C)CC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0353 [0,1,0,0,0,1|2,0,0]=4 1399 B13R1.545 CCC(C)CC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0353 [0,1,0,0,0,1|2,0,0]=4 1400 B13R1.545 CCC(C)CC(=O)Nc1ccno1 WXVL_AF0588SB0353 [0,1,0,0,0,1|1,0,0]=3 1401 B13R1.545 CCC(C)CC(=O)Nc1ccno1 WXVL_AF0588SB0353 [0,1,0,0,0,1|1,0,0]=3 1402 B13R1.545 CCC(C)CC(=O)Nc1ccns1 WXVL_AF00325SB0353 [0,1,0,0,0,1|1,1,0]=4 1403 B13R1.545 CCC(C)CC(=O)Nc1ccns1 WXVL_AF00325SB0353 [0,1,0,0,0,1|1,1,0]=4 1404 B13R1.545 CCC(C)CC(=O)Nc1ccon1 WXVL_AF0028SB0353 [0,1,0,0,0,1|2,0,0]=4 1405 B13R1.545 CCC(C)CC(=O)Nc1ccon1 WXVL_AF0028SB0353 [0,1,0,0,0,1|2,0,0]=4 1406 B13R1.545 CCC(C)CC(=O)Nc1ccsc1 WXVL_AF00105SB0353 [0,1,0,0,0,1|2,0,0]=4 1407 B13R1.545 CCC(C)CC(=O)Nc1ccsc1 WXVL_AF00105SB0353 [0,1,0,0,0,1|2,0,0]=4 1408 B13R1.545 CCC(C)CC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0353 [0,1,0,0,0,1|2,0,0]=4 1409 B13R1.545 CCC(C)CC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0353 [0,1,0,0,0,1|2,0,0]=4 1410 B13R1.545 CCC(C)CC(=O)Nc1cncs1 WXVL_AF0724SB0353 [0,1,0,0,0,1|1,1,0]=4 1411 B13R1.545 CCC(C)CC(=O)Nc1cncs1 WXVL_AF0724SB0353 [0,1,0,0,0,1|1,1,0]=4 1412 B13R1.545 CCC(C)CC(=O)Nc1cscn1 WXVL_AF00216SB0353 [0,1,0,0,0,1|2,0,0]=4 1413 B13R1.545 CCC(C)CC(=O)Nc1cscn1 WXVL_AF00216SB0353 [0,1,0,0,0,1|2,0,0]=4 1414 B13R1.545 CCC(C)CC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0353 [0,1,0,0,0,1|2,0,0]=4 1415 B13R1.545 CCC(C)CC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0353 [0,1,0,0,0,1|2,0,0]=4 1416 B13R1.545 CCC(C)CC(=O)Nc1ncco1 WXVL_AF0235SB0353 [0,1,0,0,0,1|1,0,0]=3 1417 B13R1.545 CCC(C)CC(=O)Nc1ncco1 WXVL_AF0235SB0353 [0,1,0,0,0,1|1,0,0]=3 1418 B13R1.545 CCC(C)CC(=O)Nc1nccs1 WXVL_AF0003SB0353 [0,1,0,0,0,1|1,1,0]=4 1419 B13R1.545 CCC(C)CC(=O)Nc1nccs1 WXVL_AF0003SB0353 [0,1,0,0,0,1|1,1,0]=4 1420 B13R1.545 CCC(C)CC(=O)Nc1nnco1 WXVL_AF0087SB0353 [0,1,0,0,0,1|2,0,0]=4 1421 B13R1.545 CCC(C)CC(=O)Nc1nnco1 WXVL_AF0087SB0353 [0,1,0,0,0,1|2,0,0]=4 1422 B13R1.545 CCC(O)CC(=O)Nc1cc[nH]n1 WXVL_AF2373SB4092 [0,1,0,0,0,1|2,0,0]=4 1423 B13R1.545 CCC(O)CC(=O)Nc1cc[nH]n1 WXVL_AF2373SB4092 [0,1,0,0,0,1|2,0,0]=4 1424 B13R1.545 CCC(O)CC(=O)Nc1ccn[nH]1 WXVL_AF0122SB4092 [0,1,0,0,0,1|2,0,0]=4 1425 B13R1.545 CCC(O)CC(=O)Nc1ccn[nH]1 WXVL_AF0122SB4092 [0,1,0,0,0,1|2,0,0]=4 1426 B13R1.545 CCC(O)CC(=O)Nc1ccno1 WXVL_AF0588SB4092 [0,1,0,0,0,1|1,0,0]=3 1427 B13R1.545 CCC(O)CC(=O)Nc1ccno1 WXVL_AF0588SB4092 [0,1,0,0,0,1|1,0,0]=3 1428 B13R1.545 CCC(O)CC(=O)Nc1ccns1 WXVL_AF00325SB4092 [0,1,0,0,0,1|1,1,0]=4 1429 B13R1.545 CCC(O)CC(=O)Nc1ccns1 WXVL_AF00325SB4092 [0,1,0,0,0,1|1,1,0]=4 1430 B13R1.545 CCC(O)CC(=O)Nc1ccon1 WXVL_AF0028SB4092 [0,1,0,0,0,1|2,0,0]=4 1431 B13R1.545 CCC(O)CC(=O)Nc1ccon1 WXVL_AF0028SB4092 [0,1,0,0,0,1|2,0,0]=4 1432 B13R1.545 CCC(O)CC(=O)Nc1ccsc1 WXVL_AF00105SB4092 [0,1,0,0,0,1|2,0,0]=4 1433 B13R1.545 CCC(O)CC(=O)Nc1ccsc1 WXVL_AF00105SB4092 [0,1,0,0,0,1|2,0,0]=4 1434 B13R1.545 CCC(O)CC(=O)Nc1cnc[nH]1 WXVL_AF00103SB4092 [0,1,0,0,0,1|2,0,0]=4 1435 B13R1.545 CCC(O)CC(=O)Nc1cnc[nH]1 WXVL_AF00103SB4092 [0,1,0,0,0,1|2,0,0]=4 1436 B13R1.545 CCC(O)CC(=O)Nc1cncs1 WXVL_AF0724SB4092 [0,1,0,0,0,1|1,1,0]=4 1437 B13R1.545 CCC(O)CC(=O)Nc1cncs1 WXVL_AF0724SB4092 [0,1,0,0,0,1|1,1,0]=4 1438 B13R1.545 CCC(O)CC(=O)Nc1cscn1 WXVL_AF00216SB4092 [0,1,0,0,0,1|2,0,0]=4 1439 B13R1.545 CCC(O)CC(=O)Nc1cscn1 WXVL_AF00216SB4092 [0,1,0,0,0,1|2,0,0]=4 1440 B13R1.545 CCC(O)CC(=O)Nc1ncc[nH]1 WXVL_AF0297SB4092 [0,1,0,0,0,1|2,0,0]=4 1441 B13R1.545 CCC(O)CC(=O)Nc1ncc[nH]1 WXVL_AF0297SB4092 [0,1,0,0,0,1|2,0,0]=4 1442 B13R1.545 CCC(O)CC(=O)Nc1ncco1 WXVL_AF0235SB4092 [0,1,0,0,0,1|1,0,0]=3 1443 B13R1.545 CCC(O)CC(=O)Nc1ncco1 WXVL_AF0235SB4092 [0,1,0,0,0,1|1,0,0]=3 1444 B13R1.545 CCC(O)CC(=O)Nc1nccs1 WXVL_AF0003SB4092 [0,1,0,0,0,1|1,1,0]=4 1445 B13R1.545 CCC(O)CC(=O)Nc1nccs1 WXVL_AF0003SB4092 [0,1,0,0,0,1|1,1,0]=4 1446 B13R1.545 CCC(O)CC(=O)Nc1nnco1 WXVL_AF0087SB4092 [0,1,0,0,0,1|2,0,0]=4 1447 B13R1.545 CCC(O)CC(=O)Nc1nnco1 WXVL_AF0087SB4092 [0,1,0,0,0,1|2,0,0]=4 1448 B13R1.545 CC[C@@H](C)CC(=O)Nc1cc[nH]n1 WXVL_AF2373SB8650 [0,1,0,0,0,1|2,0,0]=4 1449 B13R1.545 CC[C@@H](C)CC(=O)Nc1cc[nH]n1 WXVL_AF2373SB8650 [0,1,0,0,0,1|2,0,0]=4 1450 B13R1.545 CC[C@@H](C)CC(=O)Nc1ccn[nH]1 WXVL_AF0122SB8650 [0,1,0,0,0,1|2,0,0]=4 1451 B13R1.545 CC[C@@H](C)CC(=O)Nc1ccn[nH]1 WXVL_AF0122SB8650 [0,1,0,0,0,1|2,0,0]=4 1452 B13R1.545 CC[C@@H](C)CC(=O)Nc1ccno1 WXVL_AF0588SB8650 [0,1,0,0,0,1|1,0,0]=3 1453 B13R1.545 CC[C@@H](C)CC(=O)Nc1ccno1 WXVL_AF0588SB8650 [0,1,0,0,0,1|1,0,0]=3 1454 B13R1.545 CC[C@@H](C)CC(=O)Nc1ccns1 WXVL_AF00325SB8650 [0,1,0,0,0,1|1,1,0]=4 1455 B13R1.545 CC[C@@H](C)CC(=O)Nc1ccns1 WXVL_AF00325SB8650 [0,1,0,0,0,1|1,1,0]=4 1456 B13R1.545 CC[C@@H](C)CC(=O)Nc1ccon1 WXVL_AF0028SB8650 [0,1,0,0,0,1|2,0,0]=4 1457 B13R1.545 CC[C@@H](C)CC(=O)Nc1ccon1 WXVL_AF0028SB8650 [0,1,0,0,0,1|2,0,0]=4 1458 B13R1.545 CC[C@@H](C)CC(=O)Nc1ccsc1 WXVL_AF00105SB8650 [0,1,0,0,0,1|2,0,0]=4 1459 B13R1.545 CC[C@@H](C)CC(=O)Nc1ccsc1 WXVL_AF00105SB8650 [0,1,0,0,0,1|2,0,0]=4 1460 B13R1.545 CC[C@@H](C)CC(=O)Nc1cnc[nH]1 WXVL_AF00103SB8650 [0,1,0,0,0,1|2,0,0]=4 1461 B13R1.545 CC[C@@H](C)CC(=O)Nc1cnc[nH]1 WXVL_AF00103SB8650 [0,1,0,0,0,1|2,0,0]=4 1462 B13R1.545 CC[C@@H](C)CC(=O)Nc1cncs1 WXVL_AF0724SB8650 [0,1,0,0,0,1|1,1,0]=4 1463 B13R1.545 CC[C@@H](C)CC(=O)Nc1cncs1 WXVL_AF0724SB8650 [0,1,0,0,0,1|1,1,0]=4 1464 B13R1.545 CC[C@@H](C)CC(=O)Nc1cscn1 WXVL_AF00216SB8650 [0,1,0,0,0,1|2,0,0]=4 1465 B13R1.545 CC[C@@H](C)CC(=O)Nc1cscn1 WXVL_AF00216SB8650 [0,1,0,0,0,1|2,0,0]=4 1466 B13R1.545 CC[C@@H](C)CC(=O)Nc1ncc[nH]1 WXVL_AF0297SB8650 [0,1,0,0,0,1|2,0,0]=4 1467 B13R1.545 CC[C@@H](C)CC(=O)Nc1ncc[nH]1 WXVL_AF0297SB8650 [0,1,0,0,0,1|2,0,0]=4 1468 B13R1.545 CC[C@@H](C)CC(=O)Nc1ncco1 WXVL_AF0235SB8650 [0,1,0,0,0,1|1,0,0]=3 1469 B13R1.545 CC[C@@H](C)CC(=O)Nc1ncco1 WXVL_AF0235SB8650 [0,1,0,0,0,1|1,0,0]=3 1470 B13R1.545 CC[C@@H](C)CC(=O)Nc1nccs1 WXVL_AF0003SB8650 [0,1,0,0,0,1|1,1,0]=4 1471 B13R1.545 CC[C@@H](C)CC(=O)Nc1nccs1 WXVL_AF0003SB8650 [0,1,0,0,0,1|1,1,0]=4 1472 B13R1.545 CC[C@@H](C)CC(=O)Nc1nnco1 WXVL_AF0087SB8650 [0,1,0,0,0,1|2,0,0]=4 1473 B13R1.545 CC[C@@H](C)CC(=O)Nc1nnco1 WXVL_AF0087SB8650 [0,1,0,0,0,1|2,0,0]=4 1474 B13R1.545 CC[C@H](C)NC(=O)Cc1cccs1 WXVL_AK00678SA0018 [0,1,0,0,0,1|1,1,0]=4 1475 B13R1.545 CC[C@H](C)NC(=O)Cc1cccs1 WXVL_AK00678SA0018 [0,1,0,0,0,1|1,1,0]=4 1476 B13R1.3578 CCCCS(=O)(=O)Nc1ccno1 WXVL_AF0588HU0031 [0,1,0,0,0,1|2,0,0]=4 1477 B13R1.3578 CCCCS(=O)(=O)Nc1ccno1 WXVL_AF0588HU0031 [0,1,0,0,0,1|2,0,0]=4 1478 B13R1.3578 CCCCS(=O)(=O)Nc1ncco1 WXVL_AF0235HU0031 [0,1,0,0,0,1|2,0,0]=4 1479 B13R1.3578 CCCCS(=O)(=O)Nc1ncco1 WXVL_AF0235HU0031 [0,1,0,0,0,1|2,0,0]=4 1480 B13R1.10 CC[C@H](C)NC(=O)c1cc(c[nH]1)Br WXVL_AK00678SC0644 [0,2,0,0,0,0|2,0,0]=4 1481 B13R1.10 CC[C@H](C)NC(=O)c1cc(c[nH]1)Br WXVL_AK00678SC0644 [0,2,0,0,0,0|2,0,0]=4 1482 B13R1.10 CC[C@H](C)NC(=O)c1cc(c[nH]1)C WXVL_AK00678SC0830 [0,2,0,0,0,0|2,0,0]=4 1483 B13R1.10 CC[C@H](C)NC(=O)c1cc(c[nH]1)C WXVL_AK00678SC0830 [0,2,0,0,0,0|2,0,0]=4 1484 B13R1.10 CC[C@H](C)NC(=O)c1cc(c[nH]1)F WXVL_AK00678SC0334 [0,2,0,0,0,0|2,0,0]=4 1485 B13R1.10 CC[C@H](C)NC(=O)c1cc(c[nH]1)F WXVL_AK00678SC0334 [0,2,0,0,0,0|2,0,0]=4 1486 B13R1.10 CC[C@H](C)NC(=O)c1cc(cs1)Br WXVL_AK00678SC0188 [0,2,0,0,0,0|1,1,0]=4 1487 B13R1.10 CC[C@H](C)NC(=O)c1cc(cs1)Br WXVL_AK00678SC0188 [0,2,0,0,0,0|1,1,0]=4 1488 B13R1.10 CC[C@H](C)NC(=O)c1cc(cs1)C WXVL_AK00678SC0004 [0,2,0,0,0,0|1,1,0]=4 1489 B13R1.10 CC[C@H](C)NC(=O)c1cc(cs1)C WXVL_AK00678SC0004 [0,2,0,0,0,0|1,1,0]=4 1490 B13R1.10 CC[C@H](C)NC(=O)c1cc(no1)C WXVL_AK00678SC0089 [0,2,0,0,0,0|2,0,0]=4 1491 B13R1.10 CC[C@H](C)NC(=O)c1cc(no1)C WXVL_AK00678SC0089 [0,2,0,0,0,0|2,0,0]=4 1492 B13R1.10 CC[C@H](C)NC(=O)c1cc(no1)O WXVL_AK00678SC0522 [0,2,0,0,0,0|2,0,0]=4 1493 B13R1.10 CC[C@H](C)NC(=O)c1cc(no1)O WXVL_AK00678SC0522 [0,2,0,0,0,0|2,0,0]=4 1494 B13R1.10 CC[C@H](C)NC(=O)c1ccc(o1)C WXVL_AK00678SC0005 [0,2,0,0,0,0|1,0,0]=3 1495 B13R1.10 CC[C@H](C)NC(=O)c1ccc(o1)C WXVL_AK00678SC0005 [0,2,0,0,0,0|1,0,0]=3 1496 B13R1.10 CC[C@H](C)NC(=O)c1ccc(o1)Cl WXVL_AK00678SC0926 [0,2,0,0,0,0|1,0,0]=3 1497 B13R1.10 CC[C@H](C)NC(=O)c1ccc(o1)Cl WXVL_AK00678SC0926 [0,2,0,0,0,0|1,0,0]=3 1498 B13R1.10 CC[C@H](C)NC(=O)c1ccc(s1)Br WXVL_AK00678SC0359 [0,2,0,0,0,0|1,1,0]=4 1499 B13R1.10 CC[C@H](C)NC(=O)c1ccc(s1)Br WXVL_AK00678SC0359 [0,2,0,0,0,0|1,1,0]=4 1500 B13R1.10 CC[C@H](C)NC(=O)c1ccc(s1)C WXVL_AK00678SC0053 [0,2,0,0,0,0|1,1,0]=4 1501 B13R1.10 CC[C@H](C)NC(=O)c1ccc(s1)C WXVL_AK00678SC0053 [0,2,0,0,0,0|1,1,0]=4 1502 B13R1.10 CC[C@H](C)NC(=O)c1ccc(s1)Cl WXVL_AK00678SC0067 [0,2,0,0,0,0|1,1,0]=4 1503 B13R1.10 CC[C@H](C)NC(=O)c1ccc(s1)Cl WXVL_AK00678SC0067 [0,2,0,0,0,0|1,1,0]=4 1504 B13R1.10 CC[C@H](C)NC(=O)c1cnc(o1)Br WXVL_AK00678SC0815 [0,2,0,0,0,0|2,0,0]=4 1505 B13R1.10 CC[C@H](C)NC(=O)c1cnc(o1)Br WXVL_AK00678SC0815 [0,2,0,0,0,0|2,0,0]=4 1506 B13R1.10 C[C@@H](CF)NC(=O)c1ccc(o1)Cl WXVL_AK00558SC0926 [0,2,0,0,0,0|2,0,0]=4 1507 B13R1.10 C[C@@H](CF)NC(=O)c1ccc(o1)Cl WXVL_AK00558SC0926 [0,2,0,0,0,0|2,0,0]=4 1508 B13R1.10 C[C@@H](CO)NC(=O)c1ccc(o1)Cl WXVL_AK0109SC0926 [0,2,0,0,0,0|2,0,0]=4 1509 B13R1.10 C[C@@H](CO)NC(=O)c1ccc(o1)Cl WXVL_AK0109SC0926 [0,2,0,0,0,0|2,0,0]=4 1510 B13R1.10 Cc1ccc(o1)C(=O)N[C@@H](C)CF WXVL_AK00558SC0005 [0,2,0,0,0,0|2,0,0]=4 1511 B13R1.10 Cc1ccc(o1)C(=O)N[C@@H](C)CF WXVL_AK00558SC0005 [0,2,0,0,0,0|2,0,0]=4 1512 B13R1.10 Cc1ccc(o1)C(=O)N[C@@H](C)CO WXVL_AK0109SC0005 [0,2,0,0,0,0|2,0,0]=4 1513 B13R1.10 Cc1ccc(o1)C(=O)N[C@@H](C)CO WXVL_AK0109SC0005 [0,2,0,0,0,0|2,0,0]=4 1514 B13R1.33 CC(CCO)NC(=O)c1ccco1 WXVL_AK1288SC0049 [0,2,0,0,0,0|1,0,0]=3 1515 B13R1.33 CC(CCO)NC(=O)c1ccco1 WXVL_AK1288SC0049 [0,2,0,0,0,0|1,0,0]=3 1516 B13R1.33 CC(CCO)NC(=O)c1cccs1 WXVL_AK1288SC0051 [0,2,0,0,0,0|1,1,0]=4 1517 B13R1.33 CC(CCO)NC(=O)c1cccs1 WXVL_AK1288SC0051 [0,2,0,0,0,0|1,1,0]=4 1518 B13R1.33 CC(CCO)NC(=O)c1ccno1 WXVL_AK1288SC0080 [0,2,0,0,0,0|2,0,0]=4 1519 B13R1.33 CC(CCO)NC(=O)c1ccno1 WXVL_AK1288SC0080 [0,2,0,0,0,0|2,0,0]=4 1520 B13R1.33 CC(CCO)NC(=O)c1cnco1 WXVL_AK1288SC0018 [0,2,0,0,0,0|2,0,0]=4 1521 B13R1.33 CC(CCO)NC(=O)c1cnco1 WXVL_AK1288SC0018 [0,2,0,0,0,0|2,0,0]=4 1522 B13R1.33 CCC[C@H](C)NC(=O)c1c[nH]cn1 WXVL_AK00682SC0074 [0,2,0,0,0,0|2,0,0]=4 1523 B13R1.33 CCC[C@H](C)NC(=O)c1c[nH]cn1 WXVL_AK00682SC0074 [0,2,0,0,0,0|2,0,0]=4 1524 B13R1.33 CCC[C@H](C)NC(=O)c1cc[nH]c1 WXVL_AK00682SC0013 [0,2,0,0,0,0|2,0,0]=4 1525 B13R1.33 CCC[C@H](C)NC(=O)c1cc[nH]c1 WXVL_AK00682SC0013 [0,2,0,0,0,0|2,0,0]=4 1526 B13R1.33 CCC[C@H](C)NC(=O)c1cc[nH]n1 WXVL_AK00682SC0003 [0,2,0,0,0,0|2,0,0]=4 1527 B13R1.33 CCC[C@H](C)NC(=O)c1cc[nH]n1 WXVL_AK00682SC0003 [0,2,0,0,0,0|2,0,0]=4 1528 B13R1.33 CCC[C@H](C)NC(=O)c1ccco1 WXVL_AK00682SC0049 [0,2,0,0,0,0|0,0,0]=2 1529 B13R1.33 CCC[C@H](C)NC(=O)c1ccco1 WXVL_AK00682SC0049 [0,2,0,0,0,0|0,0,0]=2 1530 B13R1.33 CCC[C@H](C)NC(=O)c1cccs1 WXVL_AK00682SC0051 [0,2,0,0,0,0|0,1,0]=3 1531 B13R1.33 CCC[C@H](C)NC(=O)c1cccs1 WXVL_AK00682SC0051 [0,2,0,0,0,0|0,1,0]=3 1532 B13R1.33 CCC[C@H](C)NC(=O)c1ccno1 WXVL_AK00682SC0080 [0,2,0,0,0,0|1,0,0]=3 1533 B13R1.33 CCC[C@H](C)NC(=O)c1ccno1 WXVL_AK00682SC0080 [0,2,0,0,0,0|1,0,0]=3 1534 B13R1.33 CCC[C@H](C)NC(=O)c1ccns1 WXVL_AK00682SC0027 [0,2,0,0,0,0|1,1,0]=4 1535 B13R1.33 CCC[C@H](C)NC(=O)c1ccns1 WXVL_AK00682SC0027 [0,2,0,0,0,0|1,1,0]=4 1536 B13R1.33 CCC[C@H](C)NC(=O)c1ccoc1 WXVL_AK00682SC0050 [0,2,0,0,0,0|2,0,0]=4 1537 B13R1.33 CCC[C@H](C)NC(=O)c1ccoc1 WXVL_AK00682SC0050 [0,2,0,0,0,0|2,0,0]=4 1538 B13R1.33 CCC[C@H](C)NC(=O)c1ccon1 WXVL_AK00682SC0116 [0,2,0,0,0,0|2,0,0]=4 1539 B13R1.33 CCC[C@H](C)NC(=O)c1ccon1 WXVL_AK00682SC0116 [0,2,0,0,0,0|2,0,0]=4 1540 B13R1.33 CCC[C@H](C)NC(=O)c1ccsc1 WXVL_AK00682SC0054 [0,2,0,0,0,0|2,0,0]=4 1541 B13R1.33 CCC[C@H](C)NC(=O)c1ccsc1 WXVL_AK00682SC0054 [0,2,0,0,0,0|2,0,0]=4 1542 B13R1.33 CCC[C@H](C)NC(=O)c1ccsn1 WXVL_AK00682SC0764 [0,2,0,0,0,0|2,0,0]=4 1543 B13R1.33 CCC[C@H](C)NC(=O)c1ccsn1 WXVL_AK00682SC0764 [0,2,0,0,0,0|2,0,0]=4 1544 B13R1.33 CCC[C@H](C)NC(=O)c1cnc[nH]1 WXVL_AK00682SC0247 [0,2,0,0,0,0|2,0,0]=4 1545 B13R1.33 CCC[C@H](C)NC(=O)c1cnc[nH]1 WXVL_AK00682SC0247 [0,2,0,0,0,0|2,0,0]=4 1546 B13R1.33 CCC[C@H](C)NC(=O)c1cnco1 WXVL_AK00682SC0018 [0,2,0,0,0,0|1,0,0]=3 1547 B13R1.33 CCC[C@H](C)NC(=O)c1cnco1 WXVL_AK00682SC0018 [0,2,0,0,0,0|1,0,0]=3 1548 B13R1.33 CCC[C@H](C)NC(=O)c1cncs1 WXVL_AK00682SC0113 [0,2,0,0,0,0|1,1,0]=4 1549 B13R1.33 CCC[C@H](C)NC(=O)c1cncs1 WXVL_AK00682SC0113 [0,2,0,0,0,0|1,1,0]=4 1550 B13R1.33 CCC[C@H](C)NC(=O)c1cocn1 WXVL_AK00682SC0118 [0,2,0,0,0,0|2,0,0]=4 1551 B13R1.33 CCC[C@H](C)NC(=O)c1cocn1 WXVL_AK00682SC0118 [0,2,0,0,0,0|2,0,0]=4 1552 B13R1.33 CCC[C@H](C)NC(=O)c1cscn1 WXVL_AK00682SC0092 [0,2,0,0,0,0|2,0,0]=4 1553 B13R1.33 CCC[C@H](C)NC(=O)c1cscn1 WXVL_AK00682SC0092 [0,2,0,0,0,0|2,0,0]=4 1554 B13R1.33 CCC[C@H](C)NC(=O)c1nccs1 WXVL_AK00682SC0110 [0,2,0,0,0,0|1,1,0]=4 1555 B13R1.33 CCC[C@H](C)NC(=O)c1nccs1 WXVL_AK00682SC0110 [0,2,0,0,0,0|1,1,0]=4 1556 B13R1.33 COC[C@@H](C)NC(=O)c1ccco1 WXVL_AK00613SC0049 [0,2,0,0,0,0|1,0,0]=3 1557 B13R1.33 COC[C@@H](C)NC(=O)c1ccco1 WXVL_AK00613SC0049 [0,2,0,0,0,0|1,0,0]=3 1558 B13R1.33 COC[C@@H](C)NC(=O)c1cccs1 WXVL_AK00613SC0051 [0,2,0,0,0,0|1,1,0]=4 1559 B13R1.33 COC[C@@H](C)NC(=O)c1cccs1 WXVL_AK00613SC0051 [0,2,0,0,0,0|1,1,0]=4 1560 B13R1.33 COC[C@@H](C)NC(=O)c1ccno1 WXVL_AK00613SC0080 [0,2,0,0,0,0|2,0,0]=4 1561 B13R1.33 COC[C@@H](C)NC(=O)c1ccno1 WXVL_AK00613SC0080 [0,2,0,0,0,0|2,0,0]=4 1562 B13R1.33 COC[C@@H](C)NC(=O)c1cnco1 WXVL_AK00613SC0018 [0,2,0,0,0,0|2,0,0]=4 1563 B13R1.33 COC[C@@H](C)NC(=O)c1cnco1 WXVL_AK00613SC0018 [0,2,0,0,0,0|2,0,0]=4 1564 B13R1.33 COC[C@H](C)NC(=O)c1ccco1 WXVL_AK0137SC0049 [0,2,0,0,0,0|1,0,0]=3 1565 B13R1.33 COC[C@H](C)NC(=O)c1ccco1 WXVL_AK0137SC0049 [0,2,0,0,0,0|1,0,0]=3 1566 B13R1.33 COC[C@H](C)NC(=O)c1cccs1 WXVL_AK0137SC0051 [0,2,0,0,0,0|1,1,0]=4 1567 B13R1.33 COC[C@H](C)NC(=O)c1cccs1 WXVL_AK0137SC0051 [0,2,0,0,0,0|1,1,0]=4 1568 B13R1.33 COC[C@H](C)NC(=O)c1ccno1 WXVL_AK0137SC0080 [0,2,0,0,0,0|2,0,0]=4 1569 B13R1.33 COC[C@H](C)NC(=O)c1ccno1 WXVL_AK0137SC0080 [0,2,0,0,0,0|2,0,0]=4 1570 B13R1.33 COC[C@H](C)NC(=O)c1cnco1 WXVL_AK0137SC0018 [0,2,0,0,0,0|2,0,0]=4 1571 B13R1.33 COC[C@H](C)NC(=O)c1cnco1 WXVL_AK0137SC0018 [0,2,0,0,0,0|2,0,0]=4 1572 B13R1.33 C[C@@H](CC#N)NC(=O)c1ccco1 WXVL_AK00595SC0049 [0,2,0,0,0,0|1,0,1]=4 1573 B13R1.33 C[C@@H](CC#N)NC(=O)c1ccco1 WXVL_AK00595SC0049 [0,2,0,0,0,0|1,0,1]=4 1574 B13R1.65 C=C[C@@H](CO)NC(=O)c1ccco1 WXVL_AK00581SC0049 [0,2,0,0,0,0|2,0,0]=4 1575 B13R1.65 C=C[C@@H](CO)NC(=O)c1ccco1 WXVL_AK00581SC0049 [0,2,0,0,0,0|2,0,0]=4 1576 B13R1.65 CC[C@H](CO)NC(=O)c1ccco1 WXVL_AK0111SC0049 [0,2,0,0,0,0|1,0,0]=3 1577 B13R1.65 CC[C@H](CO)NC(=O)c1ccco1 WXVL_AK0111SC0049 [0,2,0,0,0,0|1,0,0]=3 1578 B13R1.65 CC[C@H](CO)NC(=O)c1cccs1 WXVL_AK0111SC0051 [0,2,0,0,0,0|1,1,0]=4 1579 B13R1.65 CC[C@H](CO)NC(=O)c1cccs1 WXVL_AK0111SC0051 [0,2,0,0,0,0|1,1,0]=4 1580 B13R1.65 CC[C@H](CO)NC(=O)c1ccno1 WXVL_AK0111SC0080 [0,2,0,0,0,0|2,0,0]=4 1581 B13R1.65 CC[C@H](CO)NC(=O)c1ccno1 WXVL_AK0111SC0080 [0,2,0,0,0,0|2,0,0]=4 1582 B13R1.65 CC[C@H](CO)NC(=O)c1cnco1 WXVL_AK0111SC0018 [0,2,0,0,0,0|2,0,0]=4 1583 B13R1.65 CC[C@H](CO)NC(=O)c1cnco1 WXVL_AK0111SC0018 [0,2,0,0,0,0|2,0,0]=4 1584 B13R1.65 O=C(NC(CO)CO)c1ccco1 WXVL_AK0741SC0049 [0,2,0,0,0,0|2,0,0]=4 1585 B13R1.65 O=C(NC(CO)CO)c1ccco1 WXVL_AK0741SC0049 [0,2,0,0,0,0|2,0,0]=4 1586 B13R1.251 CC(C)(CO)NC(=O)c1ccco1 WXVL_AK0025SC0049 [0,2,0,0,0,0|2,0,0]=4 1587 B13R1.251 CC(C)(CO)NC(=O)c1ccco1 WXVL_AK0025SC0049 [0,2,0,0,0,0|2,0,0]=4 1588 B13R1.439 CC[C@H](C)NC(=O)c1[nH]ccc1C WXVL_AK00678SC1315 [0,2,0,0,0,0|2,0,0]=4 1589 B13R1.439 CC[C@H](C)NC(=O)c1[nH]ccc1C WXVL_AK00678SC1315 [0,2,0,0,0,0|2,0,0]=4 1590 B13R1.439 CC[C@H](C)NC(=O)c1occc1Br WXVL_AK00678SC0241 [0,2,0,0,0,0|1,0,0]=3 1591 B13R1.439 CC[C@H](C)NC(=O)c1occc1Br WXVL_AK00678SC0241 [0,2,0,0,0,0|1,0,0]=3 1592 B13R1.439 CC[C@H](C)NC(=O)c1occc1C WXVL_AK00678SC0230 [0,2,0,0,0,0|1,0,0]=3 1593 B13R1.439 CC[C@H](C)NC(=O)c1occc1C WXVL_AK00678SC0230 [0,2,0,0,0,0|1,0,0]=3 1594 B13R1.439 CC[C@H](C)NC(=O)c1ocnc1C WXVL_AK00678SC0103 [0,2,0,0,0,0|2,0,0]=4 1595 B13R1.439 CC[C@H](C)NC(=O)c1ocnc1C WXVL_AK00678SC0103 [0,2,0,0,0,0|2,0,0]=4 1596 B13R1.439 CC[C@H](C)NC(=O)c1oncc1C WXVL_AK00678SC0912 [0,2,0,0,0,0|2,0,0]=4 1597 B13R1.439 CC[C@H](C)NC(=O)c1oncc1C WXVL_AK00678SC0912 [0,2,0,0,0,0|2,0,0]=4 1598 B13R1.439 CC[C@H](C)NC(=O)c1sccc1Br WXVL_AK00678SC0364 [0,2,0,0,0,0|1,1,0]=4 1599 B13R1.439 CC[C@H](C)NC(=O)c1sccc1Br WXVL_AK00678SC0364 [0,2,0,0,0,0|1,1,0]=4 1600 B13R1.439 CC[C@H](C)NC(=O)c1sccc1C WXVL_AK00678SC0052 [0,2,0,0,0,0|1,1,0]=4 1601 B13R1.439 CC[C@H](C)NC(=O)c1sccc1C WXVL_AK00678SC0052 [0,2,0,0,0,0|1,1,0]=4 1602 B13R1.439 CC[C@H](C)NC(=O)c1sccc1Cl WXVL_AK00678SC0756 [0,2,0,0,0,0|1,1,0]=4 1603 B13R1.439 CC[C@H](C)NC(=O)c1sccc1Cl WXVL_AK00678SC0756 [0,2,0,0,0,0|1,1,0]=4 1604 B13R1.439 CC[C@H](C)NC(=O)c1sccc1F WXVL_AK00678SC0017 [0,2,0,0,0,0|1,1,0]=4 1605 B13R1.439 CC[C@H](C)NC(=O)c1sccc1F WXVL_AK00678SC0017 [0,2,0,0,0,0|1,1,0]=4 1606 B13R1.439 CC[C@H](C)NC(=O)c1sccc1I WXVL_AK00678SC1579 [0,2,0,0,0,0|1,1,0]=4 1607 B13R1.439 CC[C@H](C)NC(=O)c1sccc1I WXVL_AK00678SC1579 [0,2,0,0,0,0|1,1,0]=4 1608 B13R1.439 C[C@@H](CF)NC(=O)c1occc1Br WXVL_AK00558SC0241 [0,2,0,0,0,0|2,0,0]=4 1609 B13R1.439 C[C@@H](CF)NC(=O)c1occc1Br WXVL_AK00558SC0241 [0,2,0,0,0,0|2,0,0]=4 1610 B13R1.439 C[C@@H](CO)NC(=O)c1occc1Br WXVL_AK0109SC0241 [0,2,0,0,0,0|2,0,0]=4 1611 B13R1.439 C[C@@H](CO)NC(=O)c1occc1Br WXVL_AK0109SC0241 [0,2,0,0,0,0|2,0,0]=4 1612 B13R1.439 Cc1ccoc1C(=O)N[C@@H](C)CF WXVL_AK00558SC0230 [0,2,0,0,0,0|2,0,0]=4 1613 B13R1.439 Cc1ccoc1C(=O)N[C@@H](C)CF WXVL_AK00558SC0230 [0,2,0,0,0,0|2,0,0]=4 1614 B13R1.439 Cc1ccoc1C(=O)N[C@@H](C)CO WXVL_AK0109SC0230 [0,2,0,0,0,0|2,0,0]=4 1615 B13R1.439 Cc1ccoc1C(=O)N[C@@H](C)CO WXVL_AK0109SC0230 [0,2,0,0,0,0|2,0,0]=4 1616 B13R1.23 C#CCCNC(=O)c1ccc(o1)C WXVL_AK3109SC0005 [0,2,0,0,0,0|0,0,2]=4 1617 B13R1.23 C#CCCNC(=O)c1ccc(o1)C WXVL_AK3109SC0005 [0,2,0,0,0,0|0,0,2]=4 1618 B13R1.23 C#CCCNC(=O)c1ccc(o1)Cl WXVL_AK3109SC0926 [0,2,0,0,0,0|0,0,2]=4 1619 B13R1.23 C#CCCNC(=O)c1ccc(o1)Cl WXVL_AK3109SC0926 [0,2,0,0,0,0|0,0,2]=4 1620 B13R1.23 C=CCCNC(=O)c1ccc(o1)C WXVL_AK00138SC0005 [0,2,0,0,0,0|0,0,2]=4 1621 B13R1.23 C=CCCNC(=O)c1ccc(o1)C WXVL_AK00138SC0005 [0,2,0,0,0,0|0,0,2]=4 1622 B13R1.23 C=CCCNC(=O)c1ccc(o1)Cl WXVL_AK00138SC0926 [0,2,0,0,0,0|0,0,2]=4 1623 B13R1.23 C=CCCNC(=O)c1ccc(o1)Cl WXVL_AK00138SC0926 [0,2,0,0,0,0|0,0,2]=4 1624 B13R1.23 CCCCNC(=O)c1c[nH]c(c1)C WXVL_AK00588SC0298 [0,2,0,0,0,0|2,0,0]=4 1625 B13R1.23 CCCCNC(=O)c1c[nH]c(c1)C WXVL_AK00588SC0298 [0,2,0,0,0,0|2,0,0]=4 1626 B13R1.23 CCCCNC(=O)c1c[nH]c(n1)C WXVL_AK00588SC0009 [0,2,0,0,0,0|2,0,0]=4 1627 B13R1.23 CCCCNC(=O)c1c[nH]c(n1)C WXVL_AK00588SC0009 [0,2,0,0,0,0|2,0,0]=4 1628 B13R1.23 CCCCNC(=O)c1cc([nH]n1)C WXVL_AK00588SC0267 [0,2,0,0,0,0|2,0,0]=4 1629 B13R1.23 CCCCNC(=O)c1cc([nH]n1)C WXVL_AK00588SC0267 [0,2,0,0,0,0|2,0,0]=4 1630 B13R1.23 CCCCNC(=O)c1cc(c[nH]1)Br WXVL_AK00588SC0644 [0,2,0,0,0,0|1,0,0]=3 1631 B13R1.23 CCCCNC(=O)c1cc(c[nH]1)Br WXVL_AK00588SC0644 [0,2,0,0,0,0|1,0,0]=3 1632 B13R1.23 CCCCNC(=O)c1cc(c[nH]1)C WXVL_AK00588SC0830 [0,2,0,0,0,0|1,0,0]=3 1633 B13R1.23 CCCCNC(=O)c1cc(c[nH]1)C WXVL_AK00588SC0830 [0,2,0,0,0,0|1,0,0]=3 1634 B13R1.23 CCCCNC(=O)c1cc(c[nH]1)F WXVL_AK00588SC0334 [0,2,0,0,0,0|1,0,0]=3 1635 B13R1.23 CCCCNC(=O)c1cc(c[nH]1)F WXVL_AK00588SC0334 [0,2,0,0,0,0|1,0,0]=3 1636 B13R1.23 CCCCNC(=O)c1cc(cs1)Br WXVL_AK00588SC0188 [0,2,0,0,0,0|0,1,0]=3 1637 B13R1.23 CCCCNC(=O)c1cc(cs1)Br WXVL_AK00588SC0188 [0,2,0,0,0,0|0,1,0]=3 1638 B13R1.23 CCCCNC(=O)c1cc(cs1)C WXVL_AK00588SC0004 [0,2,0,0,0,0|0,1,0]=3 1639 B13R1.23 CCCCNC(=O)c1cc(cs1)C WXVL_AK00588SC0004 [0,2,0,0,0,0|0,1,0]=3 1640 B13R1.23 CCCCNC(=O)c1cc(n[nH]1)C WXVL_AK00588SC2215 [0,2,0,0,0,0|2,0,0]=4 1641 B13R1.23 CCCCNC(=O)c1cc(n[nH]1)C WXVL_AK00588SC2215 [0,2,0,0,0,0|2,0,0]=4 1642 B13R1.23 CCCCNC(=O)c1cc(no1)C WXVL_AK00588SC0089 [0,2,0,0,0,0|1,0,0]=3 1643 B13R1.23 CCCCNC(=O)c1cc(no1)C WXVL_AK00588SC0089 [0,2,0,0,0,0|1,0,0]=3 1644 B13R1.23 CCCCNC(=O)c1cc(no1)O WXVL_AK00588SC0522 [0,2,0,0,0,0|1,0,0]=3 1645 B13R1.23 CCCCNC(=O)c1cc(no1)O WXVL_AK00588SC0522 [0,2,0,0,0,0|1,0,0]=3 1646 B13R1.23 CCCCNC(=O)c1cc(on1)C WXVL_AK00588SC0101 [0,2,0,0,0,0|2,0,0]=4 1647 B13R1.23 CCCCNC(=O)c1cc(on1)C WXVL_AK00588SC0101 [0,2,0,0,0,0|2,0,0]=4 1648 B13R1.23 CCCCNC(=O)c1ccc(o1)C WXVL_AK00588SC0005 [0,2,0,0,0,0|0,0,0]=2 1649 B13R1.23 CCCCNC(=O)c1ccc(o1)C WXVL_AK00588SC0005 [0,2,0,0,0,0|0,0,0]=2 1650 B13R1.23 CCCCNC(=O)c1ccc(o1)Cl WXVL_AK00588SC0926 [0,2,0,0,0,0|0,0,0]=2 1651 B13R1.23 CCCCNC(=O)c1ccc(o1)Cl WXVL_AK00588SC0926 [0,2,0,0,0,0|0,0,0]=2 1652 B13R1.23 CCCCNC(=O)c1ccc(s1)Br WXVL_AK00588SC0359 [0,2,0,0,0,0|0,1,0]=3 1653 B13R1.23 CCCCNC(=O)c1ccc(s1)Br WXVL_AK00588SC0359 [0,2,0,0,0,0|0,1,0]=3 1654 B13R1.23 CCCCNC(=O)c1ccc(s1)C WXVL_AK00588SC0053 [0,2,0,0,0,0|0,1,0]=3 1655 B13R1.23 CCCCNC(=O)c1ccc(s1)C WXVL_AK00588SC0053 [0,2,0,0,0,0|0,1,0]=3 1656 B13R1.23 CCCCNC(=O)c1ccc(s1)Cl WXVL_AK00588SC0067 [0,2,0,0,0,0|0,1,0]=3 1657 B13R1.23 CCCCNC(=O)c1ccc(s1)Cl WXVL_AK00588SC0067 [0,2,0,0,0,0|0,1,0]=3 1658 B13R1.23 CCCCNC(=O)c1ccn(c1)C WXVL_AK00588SC0038 [0,2,0,0,0,0|2,0,0]=4 1659 B13R1.23 CCCCNC(=O)c1ccn(c1)C WXVL_AK00588SC0038 [0,2,0,0,0,0|2,0,0]=4 1660 B13R1.23 CCCCNC(=O)c1ccn(n1)C WXVL_AK00588SC0091 [0,2,0,0,0,0|2,0,0]=4 1661 B13R1.23 CCCCNC(=O)c1ccn(n1)C WXVL_AK00588SC0091 [0,2,0,0,0,0|2,0,0]=4 1662 B13R1.23 CCCCNC(=O)c1cn(cn1)C WXVL_AK00588SC0111 [0,2,0,0,0,0|2,0,0]=4 1663 B13R1.23 CCCCNC(=O)c1cn(cn1)C WXVL_AK00588SC0111 [0,2,0,0,0,0|2,0,0]=4 1664 B13R1.23 CCCCNC(=O)c1cnc([nH]1)O WXVL_AK00588SC0498 [0,2,0,0,0,0|2,0,0]=4 1665 B13R1.23 CCCCNC(=O)c1cnc([nH]1)O WXVL_AK00588SC0498 [0,2,0,0,0,0|2,0,0]=4 1666 B13R1.23 CCCCNC(=O)c1cnc(o1)Br WXVL_AK00588SC0815 [0,2,0,0,0,0|1,0,0]=3 1667 B13R1.23 CCCCNC(=O)c1cnc(o1)Br WXVL_AK00588SC0815 [0,2,0,0,0,0|1,0,0]=3 1668 B13R1.23 CCCCNC(=O)c1cnc(s1)Br WXVL_AK00588SC0723 [0,2,0,0,0,0|1,1,0]=4 1669 B13R1.23 CCCCNC(=O)c1cnc(s1)Br WXVL_AK00588SC0723 [0,2,0,0,0,0|1,1,0]=4 1670 B13R1.23 CCCCNC(=O)c1cnc(s1)C WXVL_AK00588SC0326 [0,2,0,0,0,0|1,1,0]=4 1671 B13R1.23 CCCCNC(=O)c1cnc(s1)C WXVL_AK00588SC0326 [0,2,0,0,0,0|1,1,0]=4 1672 B13R1.23 CCCCNC(=O)c1cnc(s1)Cl WXVL_AK00588SC0638 [0,2,0,0,0,0|1,1,0]=4 1673 B13R1.23 CCCCNC(=O)c1cnc(s1)Cl WXVL_AK00588SC0638 [0,2,0,0,0,0|1,1,0]=4 1674 B13R1.23 CCCCNC(=O)c1coc(n1)C WXVL_AK00588SC0086 [0,2,0,0,0,0|2,0,0]=4 1675 B13R1.23 CCCCNC(=O)c1coc(n1)C WXVL_AK00588SC0086 [0,2,0,0,0,0|2,0,0]=4 1676 B13R1.23 CCCCNC(=O)c1coc(n1)Cl WXVL_AK00588SC1341 [0,2,0,0,0,0|2,0,0]=4 1677 B13R1.23 CCCCNC(=O)c1coc(n1)Cl WXVL_AK00588SC1341 [0,2,0,0,0,0|2,0,0]=4 1678 B13R1.23 CCCCNC(=O)c1csc(c1)Br WXVL_AK00588SC0189 [0,2,0,0,0,0|2,0,0]=4 1679 B13R1.23 CCCCNC(=O)c1csc(c1)Br WXVL_AK00588SC0189 [0,2,0,0,0,0|2,0,0]=4 1680 B13R1.23 CCCCNC(=O)c1csc(n1)C WXVL_AK00588SC0112 [0,2,0,0,0,0|2,0,0]=4 1681 B13R1.23 CCCCNC(=O)c1csc(n1)C WXVL_AK00588SC0112 [0,2,0,0,0,0|2,0,0]=4 1682 B13R1.23 CCCCNC(=O)c1csc(n1)Cl WXVL_AK00588SC0688 [0,2,0,0,0,0|2,0,0]=4 1683 B13R1.23 CCCCNC(=O)c1csc(n1)Cl WXVL_AK00588SC0688 [0,2,0,0,0,0|2,0,0]=4 1684 B13R1.23 CCCCNC(=O)c1nc(cs1)Br WXVL_AK00588SC0687 [0,2,0,0,0,0|1,1,0]=4 1685 B13R1.23 CCCCNC(=O)c1nc(cs1)Br WXVL_AK00588SC0687 [0,2,0,0,0,0|1,1,0]=4 1686 B13R1.23 CCCCNC(=O)c1nc(cs1)C WXVL_AK00588SC0538 [0,2,0,0,0,0|1,1,0]=4 1687 B13R1.23 CCCCNC(=O)c1nc(cs1)C WXVL_AK00588SC0538 [0,2,0,0,0,0|1,1,0]=4 1688 B13R1.23 CCCCNC(=O)c1ncc(s1)C WXVL_AK00588SC0031 [0,2,0,0,0,0|1,1,0]=4 1689 B13R1.23 CCCCNC(=O)c1ncc(s1)C WXVL_AK00588SC0031 [0,2,0,0,0,0|1,1,0]=4 1690 B13R1.23 CSCCNC(=O)c1cc(c[nH]1)Br WXVL_AK00440SC0644 [0,2,0,0,0,0|2,0,0]=4 1691 B13R1.23 CSCCNC(=O)c1cc(c[nH]1)Br WXVL_AK00440SC0644 [0,2,0,0,0,0|2,0,0]=4 1692 B13R1.23 CSCCNC(=O)c1cc(c[nH]1)C WXVL_AK00440SC0830 [0,2,0,0,0,0|2,0,0]=4 1693 B13R1.23 CSCCNC(=O)c1cc(c[nH]1)C WXVL_AK00440SC0830 [0,2,0,0,0,0|2,0,0]=4 1694 B13R1.23 CSCCNC(=O)c1cc(c[nH]1)F WXVL_AK00440SC0334 [0,2,0,0,0,0|2,0,0]=4 1695 B13R1.23 CSCCNC(=O)c1cc(c[nH]1)F WXVL_AK00440SC0334 [0,2,0,0,0,0|2,0,0]=4 1696 B13R1.23 CSCCNC(=O)c1cc(cs1)Br WXVL_AK00440SC0188 [0,2,0,0,0,0|1,1,0]=4 1697 B13R1.23 CSCCNC(=O)c1cc(cs1)Br WXVL_AK00440SC0188 [0,2,0,0,0,0|1,1,0]=4 1698 B13R1.23 CSCCNC(=O)c1cc(cs1)C WXVL_AK00440SC0004 [0,2,0,0,0,0|1,1,0]=4 1699 B13R1.23 CSCCNC(=O)c1cc(cs1)C WXVL_AK00440SC0004 [0,2,0,0,0,0|1,1,0]=4 1700 B13R1.23 CSCCNC(=O)c1cc(no1)C WXVL_AK00440SC0089 [0,2,0,0,0,0|2,0,0]=4 1701 B13R1.23 CSCCNC(=O)c1cc(no1)C WXVL_AK00440SC0089 [0,2,0,0,0,0|2,0,0]=4 1702 B13R1.23 CSCCNC(=O)c1cc(no1)O WXVL_AK00440SC0522 [0,2,0,0,0,0|2,0,0]=4 1703 B13R1.23 CSCCNC(=O)c1cc(no1)O WXVL_AK00440SC0522 [0,2,0,0,0,0|2,0,0]=4 1704 B13R1.23 CSCCNC(=O)c1ccc(o1)C WXVL_AK00440SC0005 [0,2,0,0,0,0|1,0,0]=3 1705 B13R1.23 CSCCNC(=O)c1ccc(o1)C WXVL_AK00440SC0005 [0,2,0,0,0,0|1,0,0]=3 1706 B13R1.23 CSCCNC(=O)c1ccc(o1)Cl WXVL_AK00440SC0926 [0,2,0,0,0,0|1,0,0]=3 1707 B13R1.23 CSCCNC(=O)c1ccc(o1)Cl WXVL_AK00440SC0926 [0,2,0,0,0,0|1,0,0]=3 1708 B13R1.23 CSCCNC(=O)c1ccc(s1)Br WXVL_AK00440SC0359 [0,2,0,0,0,0|1,1,0]=4 1709 B13R1.23 CSCCNC(=O)c1ccc(s1)Br WXVL_AK00440SC0359 [0,2,0,0,0,0|1,1,0]=4 1710 B13R1.23 CSCCNC(=O)c1ccc(s1)C WXVL_AK00440SC0053 [0,2,0,0,0,0|1,1,0]=4 1711 B13R1.23 CSCCNC(=O)c1ccc(s1)C WXVL_AK00440SC0053 [0,2,0,0,0,0|1,1,0]=4 1712 B13R1.23 CSCCNC(=O)c1ccc(s1)Cl WXVL_AK00440SC0067 [0,2,0,0,0,0|1,1,0]=4 1713 B13R1.23 CSCCNC(=O)c1ccc(s1)Cl WXVL_AK00440SC0067 [0,2,0,0,0,0|1,1,0]=4 1714 B13R1.23 CSCCNC(=O)c1cnc(o1)Br WXVL_AK00440SC0815 [0,2,0,0,0,0|2,0,0]=4 1715 B13R1.23 CSCCNC(=O)c1cnc(o1)Br WXVL_AK00440SC0815 [0,2,0,0,0,0|2,0,0]=4 1716 B13R1.23 Cc1c[nH]c(c1)C(=O)NCCCO WXVL_AK0073SC0830 [0,2,0,0,0,0|2,0,0]=4 1717 B13R1.23 Cc1c[nH]c(c1)C(=O)NCCCO WXVL_AK0073SC0830 [0,2,0,0,0,0|2,0,0]=4 1718 B13R1.23 Cc1cc(on1)C(=O)NCCCO WXVL_AK0073SC0089 [0,2,0,0,0,0|2,0,0]=4 1719 B13R1.23 Cc1cc(on1)C(=O)NCCCO WXVL_AK0073SC0089 [0,2,0,0,0,0|2,0,0]=4 1720 B13R1.23 Cc1ccc(o1)C(=O)NCCC#N WXVL_AK0087SC0005 [0,2,0,0,0,0|1,0,1]=4 1721 B13R1.23 Cc1ccc(o1)C(=O)NCCC#N WXVL_AK0087SC0005 [0,2,0,0,0,0|1,0,1]=4 1722 B13R1.23 Cc1ccc(o1)C(=O)NCCCO WXVL_AK0073SC0005 [0,2,0,0,0,0|1,0,0]=3 1723 B13R1.23 Cc1ccc(o1)C(=O)NCCCO WXVL_AK0073SC0005 [0,2,0,0,0,0|1,0,0]=3 1724 B13R1.23 Cc1ccc(s1)C(=O)NCCCO WXVL_AK0073SC0053 [0,2,0,0,0,0|1,1,0]=4 1725 B13R1.23 Cc1ccc(s1)C(=O)NCCCO WXVL_AK0073SC0053 [0,2,0,0,0,0|1,1,0]=4 1726 B13R1.23 Cc1csc(c1)C(=O)NCCCO WXVL_AK0073SC0004 [0,2,0,0,0,0|1,1,0]=4 1727 B13R1.23 Cc1csc(c1)C(=O)NCCCO WXVL_AK0073SC0004 [0,2,0,0,0,0|1,1,0]=4 1728 B13R1.23 N#CCCNC(=O)c1ccc(o1)Cl WXVL_AK0087SC0926 [0,2,0,0,0,0|1,0,1]=4 1729 B13R1.23 N#CCCNC(=O)c1ccc(o1)Cl WXVL_AK0087SC0926 [0,2,0,0,0,0|1,0,1]=4 1730 B13R1.23 O=C(NCCCO)c1cc(c[nH]1)Br WXVL_AK0073SC0644 [0,2,0,0,0,0|2,0,0]=4 1731 B13R1.23 O=C(NCCCO)c1cc(c[nH]1)Br WXVL_AK0073SC0644 [0,2,0,0,0,0|2,0,0]=4 1732 B13R1.23 O=C(NCCCO)c1cc(c[nH]1)F WXVL_AK0073SC0334 [0,2,0,0,0,0|2,0,0]=4 1733 B13R1.23 O=C(NCCCO)c1cc(c[nH]1)F WXVL_AK0073SC0334 [0,2,0,0,0,0|2,0,0]=4 1734 B13R1.23 O=C(NCCCO)c1cc(cs1)Br WXVL_AK0073SC0188 [0,2,0,0,0,0|1,1,0]=4 1735 B13R1.23 O=C(NCCCO)c1cc(cs1)Br WXVL_AK0073SC0188 [0,2,0,0,0,0|1,1,0]=4 1736 B13R1.23 O=C(NCCCO)c1cc(no1)O WXVL_AK0073SC0522 [0,2,0,0,0,0|2,0,0]=4 1737 B13R1.23 O=C(NCCCO)c1cc(no1)O WXVL_AK0073SC0522 [0,2,0,0,0,0|2,0,0]=4 1738 B13R1.23 O=C(NCCCO)c1ccc(o1)Cl WXVL_AK0073SC0926 [0,2,0,0,0,0|1,0,0]=3 1739 B13R1.23 O=C(NCCCO)c1ccc(o1)Cl WXVL_AK0073SC0926 [0,2,0,0,0,0|1,0,0]=3 1740 B13R1.23 O=C(NCCCO)c1ccc(s1)Br WXVL_AK0073SC0359 [0,2,0,0,0,0|1,1,0]=4 1741 B13R1.23 O=C(NCCCO)c1ccc(s1)Br WXVL_AK0073SC0359 [0,2,0,0,0,0|1,1,0]=4 1742 B13R1.23 O=C(NCCCO)c1ccc(s1)Cl WXVL_AK0073SC0067 [0,2,0,0,0,0|1,1,0]=4 1743 B13R1.23 O=C(NCCCO)c1ccc(s1)Cl WXVL_AK0073SC0067 [0,2,0,0,0,0|1,1,0]=4 1744 B13R1.23 O=C(NCCCO)c1cnc(o1)Br WXVL_AK0073SC0815 [0,2,0,0,0,0|2,0,0]=4 1745 B13R1.23 O=C(NCCCO)c1cnc(o1)Br WXVL_AK0073SC0815 [0,2,0,0,0,0|2,0,0]=4 1746 B13R1.46 CN(CCO)C(=O)c1ccc(o1)Cl WXVL_AN2670SC0926 [0,2,0,0,0,0|2,0,0]=4 1747 B13R1.46 CN(CCO)C(=O)c1ccc(o1)Cl WXVL_AN2670SC0926 [0,2,0,0,0,0|2,0,0]=4 1748 B13R1.46 Cc1ccc(o1)C(=O)N(C)CCO WXVL_AN2670SC0005 [0,2,0,0,0,0|2,0,0]=4 1749 B13R1.46 Cc1ccc(o1)C(=O)N(C)CCO WXVL_AN2670SC0005 [0,2,0,0,0,0|2,0,0]=4 1750 B13R1.129 C=C(C)CNC(=O)c1ccc(o1)C WXVL_AK0761SC0005 [0,2,0,0,0,0|1,0,1]=4 1751 B13R1.129 C=C(C)CNC(=O)c1ccc(o1)C WXVL_AK0761SC0005 [0,2,0,0,0,0|1,0,1]=4 1752 B13R1.129 C=C(C)CNC(=O)c1ccc(o1)Cl WXVL_AK0761SC0926 [0,2,0,0,0,0|1,0,1]=4 1753 B13R1.129 C=C(C)CNC(=O)c1ccc(o1)Cl WXVL_AK0761SC0926 [0,2,0,0,0,0|1,0,1]=4 1754 B13R1.129 CC(C)CNC(=O)c1cc(c[nH]1)Br WXVL_AK00544SC0644 [0,2,0,0,0,0|2,0,0]=4 1755 B13R1.129 CC(C)CNC(=O)c1cc(c[nH]1)Br WXVL_AK00544SC0644 [0,2,0,0,0,0|2,0,0]=4 1756 B13R1.129 CC(C)CNC(=O)c1cc(c[nH]1)F WXVL_AK00544SC0334 [0,2,0,0,0,0|2,0,0]=4 1757 B13R1.129 CC(C)CNC(=O)c1cc(c[nH]1)F WXVL_AK00544SC0334 [0,2,0,0,0,0|2,0,0]=4 1758 B13R1.129 CC(C)CNC(=O)c1cc(cs1)Br WXVL_AK00544SC0188 [0,2,0,0,0,0|1,1,0]=4 1759 B13R1.129 CC(C)CNC(=O)c1cc(cs1)Br WXVL_AK00544SC0188 [0,2,0,0,0,0|1,1,0]=4 1760 B13R1.129 CC(C)CNC(=O)c1cc(no1)O WXVL_AK00544SC0522 [0,2,0,0,0,0|2,0,0]=4 1761 B13R1.129 CC(C)CNC(=O)c1cc(no1)O WXVL_AK00544SC0522 [0,2,0,0,0,0|2,0,0]=4 1762 B13R1.129 CC(C)CNC(=O)c1ccc(o1)Cl WXVL_AK00544SC0926 [0,2,0,0,0,0|1,0,0]=3 1763 B13R1.129 CC(C)CNC(=O)c1ccc(o1)Cl WXVL_AK00544SC0926 [0,2,0,0,0,0|1,0,0]=3 1764 B13R1.129 CC(C)CNC(=O)c1ccc(s1)Br WXVL_AK00544SC0359 [0,2,0,0,0,0|1,1,0]=4 1765 B13R1.129 CC(C)CNC(=O)c1ccc(s1)Br WXVL_AK00544SC0359 [0,2,0,0,0,0|1,1,0]=4 1766 B13R1.129 CC(C)CNC(=O)c1ccc(s1)Cl WXVL_AK00544SC0067 [0,2,0,0,0,0|1,1,0]=4 1767 B13R1.129 CC(C)CNC(=O)c1ccc(s1)Cl WXVL_AK00544SC0067 [0,2,0,0,0,0|1,1,0]=4 1768 B13R1.129 CC(C)CNC(=O)c1cnc(o1)Br WXVL_AK00544SC0815 [0,2,0,0,0,0|2,0,0]=4 1769 B13R1.129 CC(C)CNC(=O)c1cnc(o1)Br WXVL_AK00544SC0815 [0,2,0,0,0,0|2,0,0]=4 1770 B13R1.129 CC(O)CNC(=O)c1cc(c[nH]1)Br WXVL_AK0052SC0644 [0,2,0,0,0,0|2,0,0]=4 1771 B13R1.129 CC(O)CNC(=O)c1cc(c[nH]1)Br WXVL_AK0052SC0644 [0,2,0,0,0,0|2,0,0]=4 1772 B13R1.129 CC(O)CNC(=O)c1cc(c[nH]1)F WXVL_AK0052SC0334 [0,2,0,0,0,0|2,0,0]=4 1773 B13R1.129 CC(O)CNC(=O)c1cc(c[nH]1)F WXVL_AK0052SC0334 [0,2,0,0,0,0|2,0,0]=4 1774 B13R1.129 CC(O)CNC(=O)c1cc(cs1)Br WXVL_AK0052SC0188 [0,2,0,0,0,0|1,1,0]=4 1775 B13R1.129 CC(O)CNC(=O)c1cc(cs1)Br WXVL_AK0052SC0188 [0,2,0,0,0,0|1,1,0]=4 1776 B13R1.129 CC(O)CNC(=O)c1cc(no1)O WXVL_AK0052SC0522 [0,2,0,0,0,0|2,0,0]=4 1777 B13R1.129 CC(O)CNC(=O)c1cc(no1)O WXVL_AK0052SC0522 [0,2,0,0,0,0|2,0,0]=4 1778 B13R1.129 CC(O)CNC(=O)c1ccc(o1)Cl WXVL_AK0052SC0926 [0,2,0,0,0,0|1,0,0]=3 1779 B13R1.129 CC(O)CNC(=O)c1ccc(o1)Cl WXVL_AK0052SC0926 [0,2,0,0,0,0|1,0,0]=3 1780 B13R1.129 CC(O)CNC(=O)c1ccc(s1)Br WXVL_AK0052SC0359 [0,2,0,0,0,0|1,1,0]=4 1781 B13R1.129 CC(O)CNC(=O)c1ccc(s1)Br WXVL_AK0052SC0359 [0,2,0,0,0,0|1,1,0]=4 1782 B13R1.129 CC(O)CNC(=O)c1ccc(s1)Cl WXVL_AK0052SC0067 [0,2,0,0,0,0|1,1,0]=4 1783 B13R1.129 CC(O)CNC(=O)c1ccc(s1)Cl WXVL_AK0052SC0067 [0,2,0,0,0,0|1,1,0]=4 1784 B13R1.129 CC(O)CNC(=O)c1cnc(o1)Br WXVL_AK0052SC0815 [0,2,0,0,0,0|2,0,0]=4 1785 B13R1.129 CC(O)CNC(=O)c1cnc(o1)Br WXVL_AK0052SC0815 [0,2,0,0,0,0|2,0,0]=4 1786 B13R1.129 C[C@H](O)CNC(=O)c1cc(c[nH]1)Br WXVL_AK0113SC0644 [0,2,0,0,0,0|2,0,0]=4 1787 B13R1.129 C[C@H](O)CNC(=O)c1cc(c[nH]1)Br WXVL_AK0113SC0644 [0,2,0,0,0,0|2,0,0]=4 1788 B13R1.129 C[C@H](O)CNC(=O)c1cc(c[nH]1)F WXVL_AK0113SC0334 [0,2,0,0,0,0|2,0,0]=4 1789 B13R1.129 C[C@H](O)CNC(=O)c1cc(c[nH]1)F WXVL_AK0113SC0334 [0,2,0,0,0,0|2,0,0]=4 1790 B13R1.129 C[C@H](O)CNC(=O)c1cc(cs1)Br WXVL_AK0113SC0188 [0,2,0,0,0,0|1,1,0]=4 1791 B13R1.129 C[C@H](O)CNC(=O)c1cc(cs1)Br WXVL_AK0113SC0188 [0,2,0,0,0,0|1,1,0]=4 1792 B13R1.129 C[C@H](O)CNC(=O)c1cc(no1)O WXVL_AK0113SC0522 [0,2,0,0,0,0|2,0,0]=4 1793 B13R1.129 C[C@H](O)CNC(=O)c1cc(no1)O WXVL_AK0113SC0522 [0,2,0,0,0,0|2,0,0]=4 1794 B13R1.129 C[C@H](O)CNC(=O)c1ccc(o1)Cl WXVL_AK0113SC0926 [0,2,0,0,0,0|1,0,0]=3 1795 B13R1.129 C[C@H](O)CNC(=O)c1ccc(o1)Cl WXVL_AK0113SC0926 [0,2,0,0,0,0|1,0,0]=3 1796 B13R1.129 C[C@H](O)CNC(=O)c1ccc(s1)Br WXVL_AK0113SC0359 [0,2,0,0,0,0|1,1,0]=4 1797 B13R1.129 C[C@H](O)CNC(=O)c1ccc(s1)Br WXVL_AK0113SC0359 [0,2,0,0,0,0|1,1,0]=4 1798 B13R1.129 C[C@H](O)CNC(=O)c1ccc(s1)Cl WXVL_AK0113SC0067 [0,2,0,0,0,0|1,1,0]=4 1799 B13R1.129 C[C@H](O)CNC(=O)c1ccc(s1)Cl WXVL_AK0113SC0067 [0,2,0,0,0,0|1,1,0]=4 1800 B13R1.129 C[C@H](O)CNC(=O)c1cnc(o1)Br WXVL_AK0113SC0815 [0,2,0,0,0,0|2,0,0]=4 1801 B13R1.129 C[C@H](O)CNC(=O)c1cnc(o1)Br WXVL_AK0113SC0815 [0,2,0,0,0,0|2,0,0]=4 1802 B13R1.129 Cc1c[nH]c(c1)C(=O)NCC(C)C WXVL_AK00544SC0830 [0,2,0,0,0,0|2,0,0]=4 1803 B13R1.129 Cc1c[nH]c(c1)C(=O)NCC(C)C WXVL_AK00544SC0830 [0,2,0,0,0,0|2,0,0]=4 1804 B13R1.129 Cc1c[nH]c(c1)C(=O)NCC(C)O WXVL_AK0052SC0830 [0,2,0,0,0,0|2,0,0]=4 1805 B13R1.129 Cc1c[nH]c(c1)C(=O)NCC(C)O WXVL_AK0052SC0830 [0,2,0,0,0,0|2,0,0]=4 1806 B13R1.129 Cc1c[nH]c(c1)C(=O)NC[C@H](C)O WXVL_AK0113SC0830 [0,2,0,0,0,0|2,0,0]=4 1807 B13R1.129 Cc1c[nH]c(c1)C(=O)NC[C@H](C)O WXVL_AK0113SC0830 [0,2,0,0,0,0|2,0,0]=4 1808 B13R1.129 Cc1cc(on1)C(=O)NCC(C)C WXVL_AK00544SC0089 [0,2,0,0,0,0|2,0,0]=4 1809 B13R1.129 Cc1cc(on1)C(=O)NCC(C)C WXVL_AK00544SC0089 [0,2,0,0,0,0|2,0,0]=4 1810 B13R1.129 Cc1cc(on1)C(=O)NCC(C)O WXVL_AK0052SC0089 [0,2,0,0,0,0|2,0,0]=4 1811 B13R1.129 Cc1cc(on1)C(=O)NCC(C)O WXVL_AK0052SC0089 [0,2,0,0,0,0|2,0,0]=4 1812 B13R1.129 Cc1cc(on1)C(=O)NC[C@H](C)O WXVL_AK0113SC0089 [0,2,0,0,0,0|2,0,0]=4 1813 B13R1.129 Cc1cc(on1)C(=O)NC[C@H](C)O WXVL_AK0113SC0089 [0,2,0,0,0,0|2,0,0]=4 1814 B13R1.129 Cc1ccc(o1)C(=O)NCC(C)C WXVL_AK00544SC0005 [0,2,0,0,0,0|1,0,0]=3 1815 B13R1.129 Cc1ccc(o1)C(=O)NCC(C)C WXVL_AK00544SC0005 [0,2,0,0,0,0|1,0,0]=3 1816 B13R1.129 Cc1ccc(o1)C(=O)NCC(C)O WXVL_AK0052SC0005 [0,2,0,0,0,0|1,0,0]=3 1817 B13R1.129 Cc1ccc(o1)C(=O)NCC(C)O WXVL_AK0052SC0005 [0,2,0,0,0,0|1,0,0]=3 1818 B13R1.129 Cc1ccc(o1)C(=O)NCC(F)F WXVL_AK0136SC0005 [0,2,0,0,0,0|2,0,0]=4 1819 B13R1.129 Cc1ccc(o1)C(=O)NCC(F)F WXVL_AK0136SC0005 [0,2,0,0,0,0|2,0,0]=4 1820 B13R1.129 Cc1ccc(o1)C(=O)NC[C@H](C)O WXVL_AK0113SC0005 [0,2,0,0,0,0|1,0,0]=3 1821 B13R1.129 Cc1ccc(o1)C(=O)NC[C@H](C)O WXVL_AK0113SC0005 [0,2,0,0,0,0|1,0,0]=3 1822 B13R1.129 Cc1ccc(s1)C(=O)NCC(C)C WXVL_AK00544SC0053 [0,2,0,0,0,0|1,1,0]=4 1823 B13R1.129 Cc1ccc(s1)C(=O)NCC(C)C WXVL_AK00544SC0053 [0,2,0,0,0,0|1,1,0]=4 1824 B13R1.129 Cc1ccc(s1)C(=O)NCC(C)O WXVL_AK0052SC0053 [0,2,0,0,0,0|1,1,0]=4 1825 B13R1.129 Cc1ccc(s1)C(=O)NCC(C)O WXVL_AK0052SC0053 [0,2,0,0,0,0|1,1,0]=4 1826 B13R1.129 Cc1ccc(s1)C(=O)NC[C@H](C)O WXVL_AK0113SC0053 [0,2,0,0,0,0|1,1,0]=4 1827 B13R1.129 Cc1ccc(s1)C(=O)NC[C@H](C)O WXVL_AK0113SC0053 [0,2,0,0,0,0|1,1,0]=4 1828 B13R1.129 Cc1csc(c1)C(=O)NCC(C)C WXVL_AK00544SC0004 [0,2,0,0,0,0|1,1,0]=4 1829 B13R1.129 Cc1csc(c1)C(=O)NCC(C)C WXVL_AK00544SC0004 [0,2,0,0,0,0|1,1,0]=4 1830 B13R1.129 Cc1csc(c1)C(=O)NCC(C)O WXVL_AK0052SC0004 [0,2,0,0,0,0|1,1,0]=4 1831 B13R1.129 Cc1csc(c1)C(=O)NCC(C)O WXVL_AK0052SC0004 [0,2,0,0,0,0|1,1,0]=4 1832 B13R1.129 Cc1csc(c1)C(=O)NC[C@H](C)O WXVL_AK0113SC0004 [0,2,0,0,0,0|1,1,0]=4 1833 B13R1.129 Cc1csc(c1)C(=O)NC[C@H](C)O WXVL_AK0113SC0004 [0,2,0,0,0,0|1,1,0]=4 1834 B13R1.129 O=C(NCC(F)F)c1ccc(o1)Cl WXVL_AK0136SC0926 [0,2,0,0,0,0|2,0,0]=4 1835 B13R1.129 O=C(NCC(F)F)c1ccc(o1)Cl WXVL_AK0136SC0926 [0,2,0,0,0,0|2,0,0]=4 1836 B13R1.679 CCCNC(=O)c1cc(c[nH]1)C#N WXVL_AK00504SC2642 [0,2,0,0,0,0|2,0,0]=4 1837 B13R1.679 CCCNC(=O)c1cc(c[nH]1)C#N WXVL_AK00504SC2642 [0,2,0,0,0,0|2,0,0]=4 1838 B13R1.679 CCCNC(=O)c1ccc(o1)CO WXVL_AK00504SC0443 [0,2,0,0,0,0|1,0,0]=3 1839 B13R1.679 CCCNC(=O)c1ccc(o1)CO WXVL_AK00504SC0443 [0,2,0,0,0,0|1,0,0]=3 1840 B13R1.679 CCCNC(=O)c1ccc(s1)C#N WXVL_AK00504SC0586 [0,2,0,0,0,0|1,1,0]=4 1841 B13R1.679 CCCNC(=O)c1ccc(s1)C#N WXVL_AK00504SC0586 [0,2,0,0,0,0|1,1,0]=4 1842 B13R1.679 CCCNC(=O)c1ccc(s1)OC WXVL_AK00504SC1134 [0,2,0,0,0,0|1,1,0]=4 1843 B13R1.679 CCCNC(=O)c1ccc(s1)OC WXVL_AK00504SC1134 [0,2,0,0,0,0|1,1,0]=4 1844 B13R1.679 CCCNC(=O)c1ccc(s1)SC WXVL_AK00504SC0929 [0,2,0,0,0,0|1,1,0]=4 1845 B13R1.679 CCCNC(=O)c1ccc(s1)SC WXVL_AK00504SC0929 [0,2,0,0,0,0|1,1,0]=4 1846 B13R1.679 O=C(NCCF)c1ccc(o1)CO WXVL_AK00466SC0443 [0,2,0,0,0,0|2,0,0]=4 1847 B13R1.679 O=C(NCCF)c1ccc(o1)CO WXVL_AK00466SC0443 [0,2,0,0,0,0|2,0,0]=4 1848 B13R1.680 CCCNC(=O)c1cc(cn1C)F WXVL_AK00504SC0315 [0,2,0,0,0,0|2,0,0]=4 1849 B13R1.680 CCCNC(=O)c1cc(cn1C)F WXVL_AK00504SC0315 [0,2,0,0,0,0|2,0,0]=4 1850 B13R1.680 CCCNC(=O)c1oc(nc1C)C WXVL_AK00504SC0466 [0,2,0,0,0,0|2,0,0]=4 1851 B13R1.680 CCCNC(=O)c1oc(nc1C)C WXVL_AK00504SC0466 [0,2,0,0,0,0|2,0,0]=4 1852 B13R1.680 CCCNC(=O)c1sc(cc1Br)Br WXVL_AK00504SC0250 [0,2,0,0,0,0|1,1,0]=4 1853 B13R1.680 CCCNC(=O)c1sc(cc1Br)Br WXVL_AK00504SC0250 [0,2,0,0,0,0|1,1,0]=4 1854 B13R1.681 CCCNC(=O)c1cc(c(s1)Br)C WXVL_AK00504SC1503 [0,2,0,0,0,0|1,1,0]=4 1855 B13R1.681 CCCNC(=O)c1cc(c(s1)Br)C WXVL_AK00504SC1503 [0,2,0,0,0,0|1,1,0]=4 1856 B13R1.681 CCCNC(=O)c1cc(c(s1)Br)Cl WXVL_AK00504SC1222 [0,2,0,0,0,0|1,1,0]=4 1857 B13R1.681 CCCNC(=O)c1cc(c(s1)Br)Cl WXVL_AK00504SC1222 [0,2,0,0,0,0|1,1,0]=4 1858 B13R1.681 CCCNC(=O)c1cc(c(s1)C)Br WXVL_AK00504SC1300 [0,2,0,0,0,0|1,1,0]=4 1859 B13R1.681 CCCNC(=O)c1cc(c(s1)C)Br WXVL_AK00504SC1300 [0,2,0,0,0,0|1,1,0]=4 1860 B13R1.681 CCCNC(=O)c1cc(c(s1)Cl)Cl WXVL_AK00504SC1256 [0,2,0,0,0,0|1,1,0]=4 1861 B13R1.681 CCCNC(=O)c1cc(c(s1)Cl)Cl WXVL_AK00504SC1256 [0,2,0,0,0,0|1,1,0]=4 1862 B13R1.2505 CCCNC(=O)c1[nH]cc(c1C)C WXVL_AK00504SC0721 [0,2,0,0,0,0|2,0,0]=4 1863 B13R1.2505 CCCNC(=O)c1[nH]cc(c1C)C WXVL_AK00504SC0721 [0,2,0,0,0,0|2,0,0]=4 1864 B13R1.2505 CCCNC(=O)c1scc(c1C)C WXVL_AK00504SC1211 [0,2,0,0,0,0|1,1,0]=4 1865 B13R1.2505 CCCNC(=O)c1scc(c1C)C WXVL_AK00504SC1211 [0,2,0,0,0,0|1,1,0]=4 1866 B13R1.2505 CCCNC(=O)c1scc(c1Cl)C WXVL_AK00504SC0955 [0,2,0,0,0,0|1,1,0]=4 1867 B13R1.2505 CCCNC(=O)c1scc(c1Cl)C WXVL_AK00504SC0955 [0,2,0,0,0,0|1,1,0]=4 1868 B13R1.48 C#CCCCNC(=O)c1ccco1 WXVL_AK00218SC0049 [0,2,0,0,0,0|0,0,1]=3 1869 B13R1.48 C#CCCCNC(=O)c1ccco1 WXVL_AK00218SC0049 [0,2,0,0,0,0|0,0,1]=3 1870 B13R1.48 C#CCCCNC(=O)c1cccs1 WXVL_AK00218SC0051 [0,2,0,0,0,0|0,1,1]=4 1871 B13R1.48 C#CCCCNC(=O)c1cccs1 WXVL_AK00218SC0051 [0,2,0,0,0,0|0,1,1]=4 1872 B13R1.48 C#CCCCNC(=O)c1ccno1 WXVL_AK00218SC0080 [0,2,0,0,0,0|1,0,1]=4 1873 B13R1.48 C#CCCCNC(=O)c1ccno1 WXVL_AK00218SC0080 [0,2,0,0,0,0|1,0,1]=4 1874 B13R1.48 C#CCCCNC(=O)c1cnco1 WXVL_AK00218SC0018 [0,2,0,0,0,0|1,0,1]=4 1875 B13R1.48 C#CCCCNC(=O)c1cnco1 WXVL_AK00218SC0018 [0,2,0,0,0,0|1,0,1]=4 1876 B13R1.48 CCCCCNC(=O)c1c[nH]cn1 WXVL_AK0076SC0074 [0,2,0,0,0,0|2,0,0]=4 1877 B13R1.48 CCCCCNC(=O)c1c[nH]cn1 WXVL_AK0076SC0074 [0,2,0,0,0,0|2,0,0]=4 1878 B13R1.48 CCCCCNC(=O)c1cc[nH]c1 WXVL_AK0076SC0013 [0,2,0,0,0,0|2,0,0]=4 1879 B13R1.48 CCCCCNC(=O)c1cc[nH]c1 WXVL_AK0076SC0013 [0,2,0,0,0,0|2,0,0]=4 1880 B13R1.48 CCCCCNC(=O)c1cc[nH]n1 WXVL_AK0076SC0003 [0,2,0,0,0,0|2,0,0]=4 1881 B13R1.48 CCCCCNC(=O)c1cc[nH]n1 WXVL_AK0076SC0003 [0,2,0,0,0,0|2,0,0]=4 1882 B13R1.48 CCCCCNC(=O)c1ccco1 WXVL_AK0076SC0049 [0,2,0,0,0,0|0,0,0]=2 1883 B13R1.48 CCCCCNC(=O)c1ccco1 WXVL_AK0076SC0049 [0,2,0,0,0,0|0,0,0]=2 1884 B13R1.48 CCCCCNC(=O)c1cccs1 WXVL_AK0076SC0051 [0,2,0,0,0,0|0,1,0]=3 1885 B13R1.48 CCCCCNC(=O)c1cccs1 WXVL_AK0076SC0051 [0,2,0,0,0,0|0,1,0]=3 1886 B13R1.48 CCCCCNC(=O)c1ccno1 WXVL_AK0076SC0080 [0,2,0,0,0,0|1,0,0]=3 1887 B13R1.48 CCCCCNC(=O)c1ccno1 WXVL_AK0076SC0080 [0,2,0,0,0,0|1,0,0]=3 1888 B13R1.48 CCCCCNC(=O)c1ccns1 WXVL_AK0076SC0027 [0,2,0,0,0,0|1,1,0]=4 1889 B13R1.48 CCCCCNC(=O)c1ccns1 WXVL_AK0076SC0027 [0,2,0,0,0,0|1,1,0]=4 1890 B13R1.48 CCCCCNC(=O)c1ccoc1 WXVL_AK0076SC0050 [0,2,0,0,0,0|2,0,0]=4 1891 B13R1.48 CCCCCNC(=O)c1ccoc1 WXVL_AK0076SC0050 [0,2,0,0,0,0|2,0,0]=4 1892 B13R1.48 CCCCCNC(=O)c1ccon1 WXVL_AK0076SC0116 [0,2,0,0,0,0|2,0,0]=4 1893 B13R1.48 CCCCCNC(=O)c1ccon1 WXVL_AK0076SC0116 [0,2,0,0,0,0|2,0,0]=4 1894 B13R1.48 CCCCCNC(=O)c1ccsc1 WXVL_AK0076SC0054 [0,2,0,0,0,0|2,0,0]=4 1895 B13R1.48 CCCCCNC(=O)c1ccsc1 WXVL_AK0076SC0054 [0,2,0,0,0,0|2,0,0]=4 1896 B13R1.48 CCCCCNC(=O)c1ccsn1 WXVL_AK0076SC0764 [0,2,0,0,0,0|2,0,0]=4 1897 B13R1.48 CCCCCNC(=O)c1ccsn1 WXVL_AK0076SC0764 [0,2,0,0,0,0|2,0,0]=4 1898 B13R1.48 CCCCCNC(=O)c1cnc[nH]1 WXVL_AK0076SC0247 [0,2,0,0,0,0|2,0,0]=4 1899 B13R1.48 CCCCCNC(=O)c1cnc[nH]1 WXVL_AK0076SC0247 [0,2,0,0,0,0|2,0,0]=4 1900 B13R1.48 CCCCCNC(=O)c1cnco1 WXVL_AK0076SC0018 [0,2,0,0,0,0|1,0,0]=3 1901 B13R1.48 CCCCCNC(=O)c1cnco1 WXVL_AK0076SC0018 [0,2,0,0,0,0|1,0,0]=3 1902 B13R1.48 CCCCCNC(=O)c1cncs1 WXVL_AK0076SC0113 [0,2,0,0,0,0|1,1,0]=4 1903 B13R1.48 CCCCCNC(=O)c1cncs1 WXVL_AK0076SC0113 [0,2,0,0,0,0|1,1,0]=4 1904 B13R1.48 CCCCCNC(=O)c1cocn1 WXVL_AK0076SC0118 [0,2,0,0,0,0|2,0,0]=4 1905 B13R1.48 CCCCCNC(=O)c1cocn1 WXVL_AK0076SC0118 [0,2,0,0,0,0|2,0,0]=4 1906 B13R1.48 CCCCCNC(=O)c1cscn1 WXVL_AK0076SC0092 [0,2,0,0,0,0|2,0,0]=4 1907 B13R1.48 CCCCCNC(=O)c1cscn1 WXVL_AK0076SC0092 [0,2,0,0,0,0|2,0,0]=4 1908 B13R1.48 CCCCCNC(=O)c1nccs1 WXVL_AK0076SC0110 [0,2,0,0,0,0|1,1,0]=4 1909 B13R1.48 CCCCCNC(=O)c1nccs1 WXVL_AK0076SC0110 [0,2,0,0,0,0|1,1,0]=4 1910 B13R1.48 CCSCCNC(=O)c1c[nH]cn1 WXVL_AK00494SC0074 [0,2,0,0,0,0|2,0,0]=4 1911 B13R1.48 CCSCCNC(=O)c1c[nH]cn1 WXVL_AK00494SC0074 [0,2,0,0,0,0|2,0,0]=4 1912 B13R1.48 CCSCCNC(=O)c1cc[nH]c1 WXVL_AK00494SC0013 [0,2,0,0,0,0|2,0,0]=4 1913 B13R1.48 CCSCCNC(=O)c1cc[nH]c1 WXVL_AK00494SC0013 [0,2,0,0,0,0|2,0,0]=4 1914 B13R1.48 CCSCCNC(=O)c1cc[nH]n1 WXVL_AK00494SC0003 [0,2,0,0,0,0|2,0,0]=4 1915 B13R1.48 CCSCCNC(=O)c1cc[nH]n1 WXVL_AK00494SC0003 [0,2,0,0,0,0|2,0,0]=4 1916 B13R1.48 CCSCCNC(=O)c1ccco1 WXVL_AK00494SC0049 [0,2,0,0,0,0|0,0,0]=2 1917 B13R1.48 CCSCCNC(=O)c1ccco1 WXVL_AK00494SC0049 [0,2,0,0,0,0|0,0,0]=2 1918 B13R1.48 CCSCCNC(=O)c1cccs1 WXVL_AK00494SC0051 [0,2,0,0,0,0|0,1,0]=3 1919 B13R1.48 CCSCCNC(=O)c1cccs1 WXVL_AK00494SC0051 [0,2,0,0,0,0|0,1,0]=3 1920 B13R1.48 CCSCCNC(=O)c1ccno1 WXVL_AK00494SC0080 [0,2,0,0,0,0|1,0,0]=3 1921 B13R1.48 CCSCCNC(=O)c1ccno1 WXVL_AK00494SC0080 [0,2,0,0,0,0|1,0,0]=3 1922 B13R1.48 CCSCCNC(=O)c1ccns1 WXVL_AK00494SC0027 [0,2,0,0,0,0|1,1,0]=4 1923 B13R1.48 CCSCCNC(=O)c1ccns1 WXVL_AK00494SC0027 [0,2,0,0,0,0|1,1,0]=4 1924 B13R1.48 CCSCCNC(=O)c1ccoc1 WXVL_AK00494SC0050 [0,2,0,0,0,0|2,0,0]=4 1925 B13R1.48 CCSCCNC(=O)c1ccoc1 WXVL_AK00494SC0050 [0,2,0,0,0,0|2,0,0]=4 1926 B13R1.48 CCSCCNC(=O)c1ccon1 WXVL_AK00494SC0116 [0,2,0,0,0,0|2,0,0]=4 1927 B13R1.48 CCSCCNC(=O)c1ccon1 WXVL_AK00494SC0116 [0,2,0,0,0,0|2,0,0]=4 1928 B13R1.48 CCSCCNC(=O)c1ccsc1 WXVL_AK00494SC0054 [0,2,0,0,0,0|2,0,0]=4 1929 B13R1.48 CCSCCNC(=O)c1ccsc1 WXVL_AK00494SC0054 [0,2,0,0,0,0|2,0,0]=4 1930 B13R1.48 CCSCCNC(=O)c1ccsn1 WXVL_AK00494SC0764 [0,2,0,0,0,0|2,0,0]=4 1931 B13R1.48 CCSCCNC(=O)c1ccsn1 WXVL_AK00494SC0764 [0,2,0,0,0,0|2,0,0]=4 1932 B13R1.48 CCSCCNC(=O)c1cnc[nH]1 WXVL_AK00494SC0247 [0,2,0,0,0,0|2,0,0]=4 1933 B13R1.48 CCSCCNC(=O)c1cnc[nH]1 WXVL_AK00494SC0247 [0,2,0,0,0,0|2,0,0]=4 1934 B13R1.48 CCSCCNC(=O)c1cnco1 WXVL_AK00494SC0018 [0,2,0,0,0,0|1,0,0]=3 1935 B13R1.48 CCSCCNC(=O)c1cnco1 WXVL_AK00494SC0018 [0,2,0,0,0,0|1,0,0]=3 1936 B13R1.48 CCSCCNC(=O)c1cncs1 WXVL_AK00494SC0113 [0,2,0,0,0,0|1,1,0]=4 1937 B13R1.48 CCSCCNC(=O)c1cncs1 WXVL_AK00494SC0113 [0,2,0,0,0,0|1,1,0]=4 1938 B13R1.48 CCSCCNC(=O)c1cocn1 WXVL_AK00494SC0118 [0,2,0,0,0,0|2,0,0]=4 1939 B13R1.48 CCSCCNC(=O)c1cocn1 WXVL_AK00494SC0118 [0,2,0,0,0,0|2,0,0]=4 1940 B13R1.48 CCSCCNC(=O)c1cscn1 WXVL_AK00494SC0092 [0,2,0,0,0,0|2,0,0]=4 1941 B13R1.48 CCSCCNC(=O)c1cscn1 WXVL_AK00494SC0092 [0,2,0,0,0,0|2,0,0]=4 1942 B13R1.48 CCSCCNC(=O)c1nccs1 WXVL_AK00494SC0110 [0,2,0,0,0,0|1,1,0]=4 1943 B13R1.48 CCSCCNC(=O)c1nccs1 WXVL_AK00494SC0110 [0,2,0,0,0,0|1,1,0]=4 1944 B13R1.48 COCCCNC(=O)c1c[nH]cn1 WXVL_AK00637SC0074 [0,2,0,0,0,0|2,0,0]=4 1945 B13R1.48 COCCCNC(=O)c1c[nH]cn1 WXVL_AK00637SC0074 [0,2,0,0,0,0|2,0,0]=4 1946 B13R1.48 COCCCNC(=O)c1cc[nH]c1 WXVL_AK00637SC0013 [0,2,0,0,0,0|2,0,0]=4 1947 B13R1.48 COCCCNC(=O)c1cc[nH]c1 WXVL_AK00637SC0013 [0,2,0,0,0,0|2,0,0]=4 1948 B13R1.48 COCCCNC(=O)c1cc[nH]n1 WXVL_AK00637SC0003 [0,2,0,0,0,0|2,0,0]=4 1949 B13R1.48 COCCCNC(=O)c1cc[nH]n1 WXVL_AK00637SC0003 [0,2,0,0,0,0|2,0,0]=4 1950 B13R1.48 COCCCNC(=O)c1ccco1 WXVL_AK00637SC0049 [0,2,0,0,0,0|0,0,0]=2 1951 B13R1.48 COCCCNC(=O)c1ccco1 WXVL_AK00637SC0049 [0,2,0,0,0,0|0,0,0]=2 1952 B13R1.48 COCCCNC(=O)c1cccs1 WXVL_AK00637SC0051 [0,2,0,0,0,0|0,1,0]=3 1953 B13R1.48 COCCCNC(=O)c1cccs1 WXVL_AK00637SC0051 [0,2,0,0,0,0|0,1,0]=3 1954 B13R1.48 COCCCNC(=O)c1ccno1 WXVL_AK00637SC0080 [0,2,0,0,0,0|1,0,0]=3 1955 B13R1.48 COCCCNC(=O)c1ccno1 WXVL_AK00637SC0080 [0,2,0,0,0,0|1,0,0]=3 1956 B13R1.48 COCCCNC(=O)c1ccns1 WXVL_AK00637SC0027 [0,2,0,0,0,0|1,1,0]=4 1957 B13R1.48 COCCCNC(=O)c1ccns1 WXVL_AK00637SC0027 [0,2,0,0,0,0|1,1,0]=4 1958 B13R1.48 COCCCNC(=O)c1ccoc1 WXVL_AK00637SC0050 [0,2,0,0,0,0|2,0,0]=4 1959 B13R1.48 COCCCNC(=O)c1ccoc1 WXVL_AK00637SC0050 [0,2,0,0,0,0|2,0,0]=4 1960 B13R1.48 COCCCNC(=O)c1ccon1 WXVL_AK00637SC0116 [0,2,0,0,0,0|2,0,0]=4 1961 B13R1.48 COCCCNC(=O)c1ccon1 WXVL_AK00637SC0116 [0,2,0,0,0,0|2,0,0]=4 1962 B13R1.48 COCCCNC(=O)c1ccsc1 WXVL_AK00637SC0054 [0,2,0,0,0,0|2,0,0]=4 1963 B13R1.48 COCCCNC(=O)c1ccsc1 WXVL_AK00637SC0054 [0,2,0,0,0,0|2,0,0]=4 1964 B13R1.48 COCCCNC(=O)c1ccsn1 WXVL_AK00637SC0764 [0,2,0,0,0,0|2,0,0]=4 1965 B13R1.48 COCCCNC(=O)c1ccsn1 WXVL_AK00637SC0764 [0,2,0,0,0,0|2,0,0]=4 1966 B13R1.48 COCCCNC(=O)c1cnc[nH]1 WXVL_AK00637SC0247 [0,2,0,0,0,0|2,0,0]=4 1967 B13R1.48 COCCCNC(=O)c1cnc[nH]1 WXVL_AK00637SC0247 [0,2,0,0,0,0|2,0,0]=4 1968 B13R1.48 COCCCNC(=O)c1cnco1 WXVL_AK00637SC0018 [0,2,0,0,0,0|1,0,0]=3 1969 B13R1.48 COCCCNC(=O)c1cnco1 WXVL_AK00637SC0018 [0,2,0,0,0,0|1,0,0]=3 1970 B13R1.48 COCCCNC(=O)c1cncs1 WXVL_AK00637SC0113 [0,2,0,0,0,0|1,1,0]=4 1971 B13R1.48 COCCCNC(=O)c1cncs1 WXVL_AK00637SC0113 [0,2,0,0,0,0|1,1,0]=4 1972 B13R1.48 COCCCNC(=O)c1cocn1 WXVL_AK00637SC0118 [0,2,0,0,0,0|2,0,0]=4 1973 B13R1.48 COCCCNC(=O)c1cocn1 WXVL_AK00637SC0118 [0,2,0,0,0,0|2,0,0]=4 1974 B13R1.48 COCCCNC(=O)c1cscn1 WXVL_AK00637SC0092 [0,2,0,0,0,0|2,0,0]=4 1975 B13R1.48 COCCCNC(=O)c1cscn1 WXVL_AK00637SC0092 [0,2,0,0,0,0|2,0,0]=4 1976 B13R1.48 COCCCNC(=O)c1nccs1 WXVL_AK00637SC0110 [0,2,0,0,0,0|1,1,0]=4 1977 B13R1.48 COCCCNC(=O)c1nccs1 WXVL_AK00637SC0110 [0,2,0,0,0,0|1,1,0]=4 1978 B13R1.48 CSCCCNC(=O)c1c[nH]cn1 WXVL_AK0965SC0074 [0,2,0,0,0,0|2,0,0]=4 1979 B13R1.48 CSCCCNC(=O)c1c[nH]cn1 WXVL_AK0965SC0074 [0,2,0,0,0,0|2,0,0]=4 1980 B13R1.48 CSCCCNC(=O)c1cc[nH]c1 WXVL_AK0965SC0013 [0,2,0,0,0,0|2,0,0]=4 1981 B13R1.48 CSCCCNC(=O)c1cc[nH]c1 WXVL_AK0965SC0013 [0,2,0,0,0,0|2,0,0]=4 1982 B13R1.48 CSCCCNC(=O)c1cc[nH]n1 WXVL_AK0965SC0003 [0,2,0,0,0,0|2,0,0]=4 1983 B13R1.48 CSCCCNC(=O)c1cc[nH]n1 WXVL_AK0965SC0003 [0,2,0,0,0,0|2,0,0]=4 1984 B13R1.48 CSCCCNC(=O)c1ccco1 WXVL_AK0965SC0049 [0,2,0,0,0,0|0,0,0]=2 1985 B13R1.48 CSCCCNC(=O)c1ccco1 WXVL_AK0965SC0049 [0,2,0,0,0,0|0,0,0]=2 1986 B13R1.48 CSCCCNC(=O)c1cccs1 WXVL_AK0965SC0051 [0,2,0,0,0,0|0,1,0]=3 1987 B13R1.48 CSCCCNC(=O)c1cccs1 WXVL_AK0965SC0051 [0,2,0,0,0,0|0,1,0]=3 1988 B13R1.48 CSCCCNC(=O)c1ccno1 WXVL_AK0965SC0080 [0,2,0,0,0,0|1,0,0]=3 1989 B13R1.48 CSCCCNC(=O)c1ccno1 WXVL_AK0965SC0080 [0,2,0,0,0,0|1,0,0]=3 1990 B13R1.48 CSCCCNC(=O)c1ccns1 WXVL_AK0965SC0027 [0,2,0,0,0,0|1,1,0]=4 1991 B13R1.48 CSCCCNC(=O)c1ccns1 WXVL_AK0965SC0027 [0,2,0,0,0,0|1,1,0]=4 1992 B13R1.48 CSCCCNC(=O)c1ccoc1 WXVL_AK0965SC0050 [0,2,0,0,0,0|2,0,0]=4 1993 B13R1.48 CSCCCNC(=O)c1ccoc1 WXVL_AK0965SC0050 [0,2,0,0,0,0|2,0,0]=4 1994 B13R1.48 CSCCCNC(=O)c1ccon1 WXVL_AK0965SC0116 [0,2,0,0,0,0|2,0,0]=4 1995 B13R1.48 CSCCCNC(=O)c1ccon1 WXVL_AK0965SC0116 [0,2,0,0,0,0|2,0,0]=4 1996 B13R1.48 CSCCCNC(=O)c1ccsc1 WXVL_AK0965SC0054 [0,2,0,0,0,0|2,0,0]=4 1997 B13R1.48 CSCCCNC(=O)c1ccsc1 WXVL_AK0965SC0054 [0,2,0,0,0,0|2,0,0]=4 1998 B13R1.48 CSCCCNC(=O)c1ccsn1 WXVL_AK0965SC0764 [0,2,0,0,0,0|2,0,0]=4 1999 B13R1.48 CSCCCNC(=O)c1ccsn1 WXVL_AK0965SC0764 [0,2,0,0,0,0|2,0,0]=4 2000 B13R1.48 CSCCCNC(=O)c1cnc[nH]1 WXVL_AK0965SC0247 [0,2,0,0,0,0|2,0,0]=4 2001 B13R1.48 CSCCCNC(=O)c1cnc[nH]1 WXVL_AK0965SC0247 [0,2,0,0,0,0|2,0,0]=4 2002 B13R1.48 CSCCCNC(=O)c1cnco1 WXVL_AK0965SC0018 [0,2,0,0,0,0|1,0,0]=3 2003 B13R1.48 CSCCCNC(=O)c1cnco1 WXVL_AK0965SC0018 [0,2,0,0,0,0|1,0,0]=3 2004 B13R1.48 CSCCCNC(=O)c1cncs1 WXVL_AK0965SC0113 [0,2,0,0,0,0|1,1,0]=4 2005 B13R1.48 CSCCCNC(=O)c1cncs1 WXVL_AK0965SC0113 [0,2,0,0,0,0|1,1,0]=4 2006 B13R1.48 CSCCCNC(=O)c1cocn1 WXVL_AK0965SC0118 [0,2,0,0,0,0|2,0,0]=4 2007 B13R1.48 CSCCCNC(=O)c1cocn1 WXVL_AK0965SC0118 [0,2,0,0,0,0|2,0,0]=4 2008 B13R1.48 CSCCCNC(=O)c1cscn1 WXVL_AK0965SC0092 [0,2,0,0,0,0|2,0,0]=4 2009 B13R1.48 CSCCCNC(=O)c1cscn1 WXVL_AK0965SC0092 [0,2,0,0,0,0|2,0,0]=4 2010 B13R1.48 CSCCCNC(=O)c1nccs1 WXVL_AK0965SC0110 [0,2,0,0,0,0|1,1,0]=4 2011 B13R1.48 CSCCCNC(=O)c1nccs1 WXVL_AK0965SC0110 [0,2,0,0,0,0|1,1,0]=4 2012 B13R1.48 O=C(NCCCCO)c1c[nH]cn1 WXVL_AK0075SC0074 [0,2,0,0,0,0|2,0,0]=4 2013 B13R1.48 O=C(NCCCCO)c1c[nH]cn1 WXVL_AK0075SC0074 [0,2,0,0,0,0|2,0,0]=4 2014 B13R1.48 O=C(NCCCCO)c1cc[nH]c1 WXVL_AK0075SC0013 [0,2,0,0,0,0|2,0,0]=4 2015 B13R1.48 O=C(NCCCCO)c1cc[nH]c1 WXVL_AK0075SC0013 [0,2,0,0,0,0|2,0,0]=4 2016 B13R1.48 O=C(NCCCCO)c1cc[nH]n1 WXVL_AK0075SC0003 [0,2,0,0,0,0|2,0,0]=4 2017 B13R1.48 O=C(NCCCCO)c1cc[nH]n1 WXVL_AK0075SC0003 [0,2,0,0,0,0|2,0,0]=4 2018 B13R1.48 O=C(NCCCCO)c1ccco1 WXVL_AK0075SC0049 [0,2,0,0,0,0|0,0,0]=2 2019 B13R1.48 O=C(NCCCCO)c1ccco1 WXVL_AK0075SC0049 [0,2,0,0,0,0|0,0,0]=2 2020 B13R1.48 O=C(NCCCCO)c1cccs1 WXVL_AK0075SC0051 [0,2,0,0,0,0|0,1,0]=3 2021 B13R1.48 O=C(NCCCCO)c1cccs1 WXVL_AK0075SC0051 [0,2,0,0,0,0|0,1,0]=3 2022 B13R1.48 O=C(NCCCCO)c1ccno1 WXVL_AK0075SC0080 [0,2,0,0,0,0|1,0,0]=3 2023 B13R1.48 O=C(NCCCCO)c1ccno1 WXVL_AK0075SC0080 [0,2,0,0,0,0|1,0,0]=3 2024 B13R1.48 O=C(NCCCCO)c1ccns1 WXVL_AK0075SC0027 [0,2,0,0,0,0|1,1,0]=4 2025 B13R1.48 O=C(NCCCCO)c1ccns1 WXVL_AK0075SC0027 [0,2,0,0,0,0|1,1,0]=4 2026 B13R1.48 O=C(NCCCCO)c1ccoc1 WXVL_AK0075SC0050 [0,2,0,0,0,0|2,0,0]=4 2027 B13R1.48 O=C(NCCCCO)c1ccoc1 WXVL_AK0075SC0050 [0,2,0,0,0,0|2,0,0]=4 2028 B13R1.48 O=C(NCCCCO)c1ccon1 WXVL_AK0075SC0116 [0,2,0,0,0,0|2,0,0]=4 2029 B13R1.48 O=C(NCCCCO)c1ccon1 WXVL_AK0075SC0116 [0,2,0,0,0,0|2,0,0]=4 2030 B13R1.48 O=C(NCCCCO)c1ccsc1 WXVL_AK0075SC0054 [0,2,0,0,0,0|2,0,0]=4 2031 B13R1.48 O=C(NCCCCO)c1ccsc1 WXVL_AK0075SC0054 [0,2,0,0,0,0|2,0,0]=4 2032 B13R1.48 O=C(NCCCCO)c1ccsn1 WXVL_AK0075SC0764 [0,2,0,0,0,0|2,0,0]=4 2033 B13R1.48 O=C(NCCCCO)c1ccsn1 WXVL_AK0075SC0764 [0,2,0,0,0,0|2,0,0]=4 2034 B13R1.48 O=C(NCCCCO)c1cnc[nH]1 WXVL_AK0075SC0247 [0,2,0,0,0,0|2,0,0]=4 2035 B13R1.48 O=C(NCCCCO)c1cnc[nH]1 WXVL_AK0075SC0247 [0,2,0,0,0,0|2,0,0]=4 2036 B13R1.48 O=C(NCCCCO)c1cnco1 WXVL_AK0075SC0018 [0,2,0,0,0,0|1,0,0]=3 2037 B13R1.48 O=C(NCCCCO)c1cnco1 WXVL_AK0075SC0018 [0,2,0,0,0,0|1,0,0]=3 2038 B13R1.48 O=C(NCCCCO)c1cncs1 WXVL_AK0075SC0113 [0,2,0,0,0,0|1,1,0]=4 2039 B13R1.48 O=C(NCCCCO)c1cncs1 WXVL_AK0075SC0113 [0,2,0,0,0,0|1,1,0]=4 2040 B13R1.48 O=C(NCCCCO)c1cocn1 WXVL_AK0075SC0118 [0,2,0,0,0,0|2,0,0]=4 2041 B13R1.48 O=C(NCCCCO)c1cocn1 WXVL_AK0075SC0118 [0,2,0,0,0,0|2,0,0]=4 2042 B13R1.48 O=C(NCCCCO)c1cscn1 WXVL_AK0075SC0092 [0,2,0,0,0,0|2,0,0]=4 2043 B13R1.48 O=C(NCCCCO)c1cscn1 WXVL_AK0075SC0092 [0,2,0,0,0,0|2,0,0]=4 2044 B13R1.48 O=C(NCCCCO)c1nccs1 WXVL_AK0075SC0110 [0,2,0,0,0,0|1,1,0]=4 2045 B13R1.48 O=C(NCCCCO)c1nccs1 WXVL_AK0075SC0110 [0,2,0,0,0,0|1,1,0]=4 2046 B13R1.54 CCCCNS(=O)(=O)c1cccs1 WXVL_AK00588HU0005 [0,2,0,0,0,0|1,1,0]=4 2047 B13R1.54 CCCCNS(=O)(=O)c1cccs1 WXVL_AK00588HU0005 [0,2,0,0,0,0|1,1,0]=4 2048 B13R1.162 CNC(=O)CNC(=O)c1ccco1 WXVL_AK1222SC0049 [0,2,0,0,0,0|1,0,1]=4 2049 B13R1.162 CNC(=O)CNC(=O)c1ccco1 WXVL_AK1222SC0049 [0,2,0,0,0,0|1,0,1]=4 2050 B13R1.162 CO[C@H](C)CNC(=O)c1ccco1 WXVL_AK00704SC0049 [0,2,0,0,0,0|1,0,0]=3 2051 B13R1.162 CO[C@H](C)CNC(=O)c1ccco1 WXVL_AK00704SC0049 [0,2,0,0,0,0|1,0,0]=3 2052 B13R1.162 CO[C@H](C)CNC(=O)c1cccs1 WXVL_AK00704SC0051 [0,2,0,0,0,0|1,1,0]=4 2053 B13R1.162 CO[C@H](C)CNC(=O)c1cccs1 WXVL_AK00704SC0051 [0,2,0,0,0,0|1,1,0]=4 2054 B13R1.162 CO[C@H](C)CNC(=O)c1ccno1 WXVL_AK00704SC0080 [0,2,0,0,0,0|2,0,0]=4 2055 B13R1.162 CO[C@H](C)CNC(=O)c1ccno1 WXVL_AK00704SC0080 [0,2,0,0,0,0|2,0,0]=4 2056 B13R1.162 CO[C@H](C)CNC(=O)c1cnco1 WXVL_AK00704SC0018 [0,2,0,0,0,0|2,0,0]=4 2057 B13R1.162 CO[C@H](C)CNC(=O)c1cnco1 WXVL_AK00704SC0018 [0,2,0,0,0,0|2,0,0]=4 2058 B13R1.162 O=C(NC[C@@H](F)CO)c1ccco1 WXVL_AK00590SC0049 [0,2,0,0,0,0|1,0,0]=3 2059 B13R1.162 O=C(NC[C@@H](F)CO)c1ccco1 WXVL_AK00590SC0049 [0,2,0,0,0,0|1,0,0]=3 2060 B13R1.162 O=C(NC[C@@H](F)CO)c1cccs1 WXVL_AK00590SC0051 [0,2,0,0,0,0|1,1,0]=4 2061 B13R1.162 O=C(NC[C@@H](F)CO)c1cccs1 WXVL_AK00590SC0051 [0,2,0,0,0,0|1,1,0]=4 2062 B13R1.162 O=C(NC[C@@H](F)CO)c1ccno1 WXVL_AK00590SC0080 [0,2,0,0,0,0|2,0,0]=4 2063 B13R1.162 O=C(NC[C@@H](F)CO)c1ccno1 WXVL_AK00590SC0080 [0,2,0,0,0,0|2,0,0]=4 2064 B13R1.162 O=C(NC[C@@H](F)CO)c1cnco1 WXVL_AK00590SC0018 [0,2,0,0,0,0|2,0,0]=4 2065 B13R1.162 O=C(NC[C@@H](F)CO)c1cnco1 WXVL_AK00590SC0018 [0,2,0,0,0,0|2,0,0]=4 2066 B13R1.162 O=C(NC[C@H](O)CO)c1ccco1 WXVL_AK00483SC0049 [0,2,0,0,0,0|1,0,0]=3 2067 B13R1.162 O=C(NC[C@H](O)CO)c1ccco1 WXVL_AK00483SC0049 [0,2,0,0,0,0|1,0,0]=3 2068 B13R1.162 O=C(NC[C@H](O)CO)c1cccs1 WXVL_AK00483SC0051 [0,2,0,0,0,0|1,1,0]=4 2069 B13R1.162 O=C(NC[C@H](O)CO)c1cccs1 WXVL_AK00483SC0051 [0,2,0,0,0,0|1,1,0]=4 2070 B13R1.162 O=C(NC[C@H](O)CO)c1ccno1 WXVL_AK00483SC0080 [0,2,0,0,0,0|2,0,0]=4 2071 B13R1.162 O=C(NC[C@H](O)CO)c1ccno1 WXVL_AK00483SC0080 [0,2,0,0,0,0|2,0,0]=4 2072 B13R1.162 O=C(NC[C@H](O)CO)c1cnco1 WXVL_AK00483SC0018 [0,2,0,0,0,0|2,0,0]=4 2073 B13R1.162 O=C(NC[C@H](O)CO)c1cnco1 WXVL_AK00483SC0018 [0,2,0,0,0,0|2,0,0]=4 2074 B13R1.342 CC(C)CCNC(=O)c1c[nH]cn1 WXVL_AK0068SC0074 [0,2,0,0,0,0|2,0,0]=4 2075 B13R1.342 CC(C)CCNC(=O)c1c[nH]cn1 WXVL_AK0068SC0074 [0,2,0,0,0,0|2,0,0]=4 2076 B13R1.342 CC(C)CCNC(=O)c1cc[nH]c1 WXVL_AK0068SC0013 [0,2,0,0,0,0|2,0,0]=4 2077 B13R1.342 CC(C)CCNC(=O)c1cc[nH]c1 WXVL_AK0068SC0013 [0,2,0,0,0,0|2,0,0]=4 2078 B13R1.342 CC(C)CCNC(=O)c1cc[nH]n1 WXVL_AK0068SC0003 [0,2,0,0,0,0|2,0,0]=4 2079 B13R1.342 CC(C)CCNC(=O)c1cc[nH]n1 WXVL_AK0068SC0003 [0,2,0,0,0,0|2,0,0]=4 2080 B13R1.342 CC(C)CCNC(=O)c1ccco1 WXVL_AK0068SC0049 [0,2,0,0,0,0|0,0,0]=2 2081 B13R1.342 CC(C)CCNC(=O)c1ccco1 WXVL_AK0068SC0049 [0,2,0,0,0,0|0,0,0]=2 2082 B13R1.342 CC(C)CCNC(=O)c1cccs1 WXVL_AK0068SC0051 [0,2,0,0,0,0|0,1,0]=3 2083 B13R1.342 CC(C)CCNC(=O)c1cccs1 WXVL_AK0068SC0051 [0,2,0,0,0,0|0,1,0]=3 2084 B13R1.342 CC(C)CCNC(=O)c1ccno1 WXVL_AK0068SC0080 [0,2,0,0,0,0|1,0,0]=3 2085 B13R1.342 CC(C)CCNC(=O)c1ccno1 WXVL_AK0068SC0080 [0,2,0,0,0,0|1,0,0]=3 2086 B13R1.342 CC(C)CCNC(=O)c1ccns1 WXVL_AK0068SC0027 [0,2,0,0,0,0|1,1,0]=4 2087 B13R1.342 CC(C)CCNC(=O)c1ccns1 WXVL_AK0068SC0027 [0,2,0,0,0,0|1,1,0]=4 2088 B13R1.342 CC(C)CCNC(=O)c1ccoc1 WXVL_AK0068SC0050 [0,2,0,0,0,0|2,0,0]=4 2089 B13R1.342 CC(C)CCNC(=O)c1ccoc1 WXVL_AK0068SC0050 [0,2,0,0,0,0|2,0,0]=4 2090 B13R1.342 CC(C)CCNC(=O)c1ccon1 WXVL_AK0068SC0116 [0,2,0,0,0,0|2,0,0]=4 2091 B13R1.342 CC(C)CCNC(=O)c1ccon1 WXVL_AK0068SC0116 [0,2,0,0,0,0|2,0,0]=4 2092 B13R1.342 CC(C)CCNC(=O)c1ccsc1 WXVL_AK0068SC0054 [0,2,0,0,0,0|2,0,0]=4 2093 B13R1.342 CC(C)CCNC(=O)c1ccsc1 WXVL_AK0068SC0054 [0,2,0,0,0,0|2,0,0]=4 2094 B13R1.342 CC(C)CCNC(=O)c1ccsn1 WXVL_AK0068SC0764 [0,2,0,0,0,0|2,0,0]=4 2095 B13R1.342 CC(C)CCNC(=O)c1ccsn1 WXVL_AK0068SC0764 [0,2,0,0,0,0|2,0,0]=4 2096 B13R1.342 CC(C)CCNC(=O)c1cnc[nH]1 WXVL_AK0068SC0247 [0,2,0,0,0,0|2,0,0]=4 2097 B13R1.342 CC(C)CCNC(=O)c1cnc[nH]1 WXVL_AK0068SC0247 [0,2,0,0,0,0|2,0,0]=4 2098 B13R1.342 CC(C)CCNC(=O)c1cnco1 WXVL_AK0068SC0018 [0,2,0,0,0,0|1,0,0]=3 2099 B13R1.342 CC(C)CCNC(=O)c1cnco1 WXVL_AK0068SC0018 [0,2,0,0,0,0|1,0,0]=3 2100 B13R1.342 CC(C)CCNC(=O)c1cncs1 WXVL_AK0068SC0113 [0,2,0,0,0,0|1,1,0]=4 2101 B13R1.342 CC(C)CCNC(=O)c1cncs1 WXVL_AK0068SC0113 [0,2,0,0,0,0|1,1,0]=4 2102 B13R1.342 CC(C)CCNC(=O)c1cocn1 WXVL_AK0068SC0118 [0,2,0,0,0,0|2,0,0]=4 2103 B13R1.342 CC(C)CCNC(=O)c1cocn1 WXVL_AK0068SC0118 [0,2,0,0,0,0|2,0,0]=4 2104 B13R1.342 CC(C)CCNC(=O)c1cscn1 WXVL_AK0068SC0092 [0,2,0,0,0,0|2,0,0]=4 2105 B13R1.342 CC(C)CCNC(=O)c1cscn1 WXVL_AK0068SC0092 [0,2,0,0,0,0|2,0,0]=4 2106 B13R1.342 CC(C)CCNC(=O)c1nccs1 WXVL_AK0068SC0110 [0,2,0,0,0,0|1,1,0]=4 2107 B13R1.342 CC(C)CCNC(=O)c1nccs1 WXVL_AK0068SC0110 [0,2,0,0,0,0|1,1,0]=4 2108 B13R1.342 CN(C)CCNC(=O)c1ccco1 WXVL_AK0058SC0049 [0,2,0,0,0,0|1,0,0]=3 2109 B13R1.342 CN(C)CCNC(=O)c1ccco1 WXVL_AK0058SC0049 [0,2,0,0,0,0|1,0,0]=3 2110 B13R1.342 CN(C)CCNC(=O)c1cccs1 WXVL_AK0058SC0051 [0,2,0,0,0,0|1,1,0]=4 2111 B13R1.342 CN(C)CCNC(=O)c1cccs1 WXVL_AK0058SC0051 [0,2,0,0,0,0|1,1,0]=4 2112 B13R1.342 CN(C)CCNC(=O)c1ccno1 WXVL_AK0058SC0080 [0,2,0,0,0,0|2,0,0]=4 2113 B13R1.342 CN(C)CCNC(=O)c1ccno1 WXVL_AK0058SC0080 [0,2,0,0,0,0|2,0,0]=4 2114 B13R1.342 CN(C)CCNC(=O)c1cnco1 WXVL_AK0058SC0018 [0,2,0,0,0,0|2,0,0]=4 2115 B13R1.342 CN(C)CCNC(=O)c1cnco1 WXVL_AK0058SC0018 [0,2,0,0,0,0|2,0,0]=4 2116 B13R1.342 NC(=O)CCNC(=O)c1ccco1 WXVL_AK00443SC0049 [0,2,0,0,0,0|1,0,1]=4 2117 B13R1.342 NC(=O)CCNC(=O)c1ccco1 WXVL_AK00443SC0049 [0,2,0,0,0,0|1,0,1]=4 2118 B13R1.725 C#CCCNC(=O)c1occc1Br WXVL_AK3109SC0241 [0,2,0,0,0,0|0,0,2]=4 2119 B13R1.725 C#CCCNC(=O)c1occc1Br WXVL_AK3109SC0241 [0,2,0,0,0,0|0,0,2]=4 2120 B13R1.725 C#CCCNC(=O)c1occc1C WXVL_AK3109SC0230 [0,2,0,0,0,0|0,0,2]=4 2121 B13R1.725 C#CCCNC(=O)c1occc1C WXVL_AK3109SC0230 [0,2,0,0,0,0|0,0,2]=4 2122 B13R1.725 C=CCCNC(=O)c1occc1Br WXVL_AK00138SC0241 [0,2,0,0,0,0|0,0,2]=4 2123 B13R1.725 C=CCCNC(=O)c1occc1Br WXVL_AK00138SC0241 [0,2,0,0,0,0|0,0,2]=4 2124 B13R1.725 C=CCCNC(=O)c1occc1C WXVL_AK00138SC0230 [0,2,0,0,0,0|0,0,2]=4 2125 B13R1.725 C=CCCNC(=O)c1occc1C WXVL_AK00138SC0230 [0,2,0,0,0,0|0,0,2]=4 2126 B13R1.725 CCCCNC(=O)c1[nH]ccc1C WXVL_AK00588SC1315 [0,2,0,0,0,0|1,0,0]=3 2127 B13R1.725 CCCCNC(=O)c1[nH]ccc1C WXVL_AK00588SC1315 [0,2,0,0,0,0|1,0,0]=3 2128 B13R1.725 CCCCNC(=O)c1[nH]cnc1C WXVL_AK00588SC0269 [0,2,0,0,0,0|2,0,0]=4 2129 B13R1.725 CCCCNC(=O)c1[nH]cnc1C WXVL_AK00588SC0269 [0,2,0,0,0,0|2,0,0]=4 2130 B13R1.725 CCCCNC(=O)c1c[nH]cc1C WXVL_AK00588SC0251 [0,2,0,0,0,0|2,0,0]=4 2131 B13R1.725 CCCCNC(=O)c1c[nH]cc1C WXVL_AK00588SC0251 [0,2,0,0,0,0|2,0,0]=4 2132 B13R1.725 CCCCNC(=O)c1ccnn1C WXVL_AK00588SC0090 [0,2,0,0,0,0|2,0,0]=4 2133 B13R1.725 CCCCNC(=O)c1ccnn1C WXVL_AK00588SC0090 [0,2,0,0,0,0|2,0,0]=4 2134 B13R1.725 CCCCNC(=O)c1ccsc1C WXVL_AK00588SC1037 [0,2,0,0,0,0|2,0,0]=4 2135 B13R1.725 CCCCNC(=O)c1ccsc1C WXVL_AK00588SC1037 [0,2,0,0,0,0|2,0,0]=4 2136 B13R1.725 CCCCNC(=O)c1ccsc1Cl WXVL_AK00588SC0794 [0,2,0,0,0,0|2,0,0]=4 2137 B13R1.725 CCCCNC(=O)c1ccsc1Cl WXVL_AK00588SC0794 [0,2,0,0,0,0|2,0,0]=4 2138 B13R1.725 CCCCNC(=O)c1cncn1C WXVL_AK00588SC0099 [0,2,0,0,0,0|2,0,0]=4 2139 B13R1.725 CCCCNC(=O)c1cncn1C WXVL_AK00588SC0099 [0,2,0,0,0,0|2,0,0]=4 2140 B13R1.725 CCCCNC(=O)c1cscc1Br WXVL_AK00588SC1024 [0,2,0,0,0,0|2,0,0]=4 2141 B13R1.725 CCCCNC(=O)c1cscc1Br WXVL_AK00588SC1024 [0,2,0,0,0,0|2,0,0]=4 2142 B13R1.725 CCCCNC(=O)c1cscc1C WXVL_AK00588SC0257 [0,2,0,0,0,0|2,0,0]=4 2143 B13R1.725 CCCCNC(=O)c1cscc1C WXVL_AK00588SC0257 [0,2,0,0,0,0|2,0,0]=4 2144 B13R1.725 CCCCNC(=O)c1n[nH]cc1I WXVL_AK00588SC0442 [0,2,0,0,0,0|2,0,0]=4 2145 B13R1.725 CCCCNC(=O)c1n[nH]cc1I WXVL_AK00588SC0442 [0,2,0,0,0,0|2,0,0]=4 2146 B13R1.725 CCCCNC(=O)c1nccn1C WXVL_AK00588SC0106 [0,2,0,0,0,0|2,0,0]=4 2147 B13R1.725 CCCCNC(=O)c1nccn1C WXVL_AK00588SC0106 [0,2,0,0,0,0|2,0,0]=4 2148 B13R1.725 CCCCNC(=O)c1ncoc1C WXVL_AK00588SC0732 [0,2,0,0,0,0|2,0,0]=4 2149 B13R1.725 CCCCNC(=O)c1ncoc1C WXVL_AK00588SC0732 [0,2,0,0,0,0|2,0,0]=4 2150 B13R1.725 CCCCNC(=O)c1ncsc1Br WXVL_AK00588SC0192 [0,2,0,0,0,0|2,0,0]=4 2151 B13R1.725 CCCCNC(=O)c1ncsc1Br WXVL_AK00588SC0192 [0,2,0,0,0,0|2,0,0]=4 2152 B13R1.725 CCCCNC(=O)c1ncsc1C WXVL_AK00588SC0722 [0,2,0,0,0,0|2,0,0]=4 2153 B13R1.725 CCCCNC(=O)c1ncsc1C WXVL_AK00588SC0722 [0,2,0,0,0,0|2,0,0]=4 2154 B13R1.725 CCCCNC(=O)c1occc1Br WXVL_AK00588SC0241 [0,2,0,0,0,0|0,0,0]=2 2155 B13R1.725 CCCCNC(=O)c1occc1Br WXVL_AK00588SC0241 [0,2,0,0,0,0|0,0,0]=2 2156 B13R1.725 CCCCNC(=O)c1occc1C WXVL_AK00588SC0230 [0,2,0,0,0,0|0,0,0]=2 2157 B13R1.725 CCCCNC(=O)c1occc1C WXVL_AK00588SC0230 [0,2,0,0,0,0|0,0,0]=2 2158 B13R1.725 CCCCNC(=O)c1ocnc1C WXVL_AK00588SC0103 [0,2,0,0,0,0|1,0,0]=3 2159 B13R1.725 CCCCNC(=O)c1ocnc1C WXVL_AK00588SC0103 [0,2,0,0,0,0|1,0,0]=3 2160 B13R1.725 CCCCNC(=O)c1oncc1C WXVL_AK00588SC0912 [0,2,0,0,0,0|1,0,0]=3 2161 B13R1.725 CCCCNC(=O)c1oncc1C WXVL_AK00588SC0912 [0,2,0,0,0,0|1,0,0]=3 2162 B13R1.725 CCCCNC(=O)c1sccc1Br WXVL_AK00588SC0364 [0,2,0,0,0,0|0,1,0]=3 2163 B13R1.725 CCCCNC(=O)c1sccc1Br WXVL_AK00588SC0364 [0,2,0,0,0,0|0,1,0]=3 2164 B13R1.725 CCCCNC(=O)c1sccc1C WXVL_AK00588SC0052 [0,2,0,0,0,0|0,1,0]=3 2165 B13R1.725 CCCCNC(=O)c1sccc1C WXVL_AK00588SC0052 [0,2,0,0,0,0|0,1,0]=3 2166 B13R1.725 CCCCNC(=O)c1sccc1Cl WXVL_AK00588SC0756 [0,2,0,0,0,0|0,1,0]=3 2167 B13R1.725 CCCCNC(=O)c1sccc1Cl WXVL_AK00588SC0756 [0,2,0,0,0,0|0,1,0]=3 2168 B13R1.725 CCCCNC(=O)c1sccc1F WXVL_AK00588SC0017 [0,2,0,0,0,0|0,1,0]=3 2169 B13R1.725 CCCCNC(=O)c1sccc1F WXVL_AK00588SC0017 [0,2,0,0,0,0|0,1,0]=3 2170 B13R1.725 CCCCNC(=O)c1sccc1I WXVL_AK00588SC1579 [0,2,0,0,0,0|0,1,0]=3 2171 B13R1.725 CCCCNC(=O)c1sccc1I WXVL_AK00588SC1579 [0,2,0,0,0,0|0,1,0]=3 2172 B13R1.725 CCCCNC(=O)c1scnc1C WXVL_AK00588SC0093 [0,2,0,0,0,0|1,1,0]=4 2173 B13R1.725 CCCCNC(=O)c1scnc1C WXVL_AK00588SC0093 [0,2,0,0,0,0|1,1,0]=4 2174 B13R1.725 CSCCNC(=O)c1[nH]ccc1C WXVL_AK00440SC1315 [0,2,0,0,0,0|2,0,0]=4 2175 B13R1.725 CSCCNC(=O)c1[nH]ccc1C WXVL_AK00440SC1315 [0,2,0,0,0,0|2,0,0]=4 2176 B13R1.725 CSCCNC(=O)c1occc1Br WXVL_AK00440SC0241 [0,2,0,0,0,0|1,0,0]=3 2177 B13R1.725 CSCCNC(=O)c1occc1Br WXVL_AK00440SC0241 [0,2,0,0,0,0|1,0,0]=3 2178 B13R1.725 CSCCNC(=O)c1occc1C WXVL_AK00440SC0230 [0,2,0,0,0,0|1,0,0]=3 2179 B13R1.725 CSCCNC(=O)c1occc1C WXVL_AK00440SC0230 [0,2,0,0,0,0|1,0,0]=3 2180 B13R1.725 CSCCNC(=O)c1ocnc1C WXVL_AK00440SC0103 [0,2,0,0,0,0|2,0,0]=4 2181 B13R1.725 CSCCNC(=O)c1ocnc1C WXVL_AK00440SC0103 [0,2,0,0,0,0|2,0,0]=4 2182 B13R1.725 CSCCNC(=O)c1oncc1C WXVL_AK00440SC0912 [0,2,0,0,0,0|2,0,0]=4 2183 B13R1.725 CSCCNC(=O)c1oncc1C WXVL_AK00440SC0912 [0,2,0,0,0,0|2,0,0]=4 2184 B13R1.725 CSCCNC(=O)c1sccc1Br WXVL_AK00440SC0364 [0,2,0,0,0,0|1,1,0]=4 2185 B13R1.725 CSCCNC(=O)c1sccc1Br WXVL_AK00440SC0364 [0,2,0,0,0,0|1,1,0]=4 2186 B13R1.725 CSCCNC(=O)c1sccc1C WXVL_AK00440SC0052 [0,2,0,0,0,0|1,1,0]=4 2187 B13R1.725 CSCCNC(=O)c1sccc1C WXVL_AK00440SC0052 [0,2,0,0,0,0|1,1,0]=4 2188 B13R1.725 CSCCNC(=O)c1sccc1Cl WXVL_AK00440SC0756 [0,2,0,0,0,0|1,1,0]=4 2189 B13R1.725 CSCCNC(=O)c1sccc1Cl WXVL_AK00440SC0756 [0,2,0,0,0,0|1,1,0]=4 2190 B13R1.725 CSCCNC(=O)c1sccc1F WXVL_AK00440SC0017 [0,2,0,0,0,0|1,1,0]=4 2191 B13R1.725 CSCCNC(=O)c1sccc1F WXVL_AK00440SC0017 [0,2,0,0,0,0|1,1,0]=4 2192 B13R1.725 CSCCNC(=O)c1sccc1I WXVL_AK00440SC1579 [0,2,0,0,0,0|1,1,0]=4 2193 B13R1.725 CSCCNC(=O)c1sccc1I WXVL_AK00440SC1579 [0,2,0,0,0,0|1,1,0]=4 2194 B13R1.725 Cc1cc[nH]c1C(=O)NCCCO WXVL_AK0073SC1315 [0,2,0,0,0,0|2,0,0]=4 2195 B13R1.725 Cc1cc[nH]c1C(=O)NCCCO WXVL_AK0073SC1315 [0,2,0,0,0,0|2,0,0]=4 2196 B13R1.725 Cc1ccoc1C(=O)NCCC#N WXVL_AK0087SC0230 [0,2,0,0,0,0|1,0,1]=4 2197 B13R1.725 Cc1ccoc1C(=O)NCCC#N WXVL_AK0087SC0230 [0,2,0,0,0,0|1,0,1]=4 2198 B13R1.725 Cc1ccoc1C(=O)NCCCO WXVL_AK0073SC0230 [0,2,0,0,0,0|1,0,0]=3 2199 B13R1.725 Cc1ccoc1C(=O)NCCCO WXVL_AK0073SC0230 [0,2,0,0,0,0|1,0,0]=3 2200 B13R1.725 Cc1ccsc1C(=O)NCCCO WXVL_AK0073SC0052 [0,2,0,0,0,0|1,1,0]=4 2201 B13R1.725 Cc1ccsc1C(=O)NCCCO WXVL_AK0073SC0052 [0,2,0,0,0,0|1,1,0]=4 2202 B13R1.725 Cc1cnoc1C(=O)NCCCO WXVL_AK0073SC0912 [0,2,0,0,0,0|2,0,0]=4 2203 B13R1.725 Cc1cnoc1C(=O)NCCCO WXVL_AK0073SC0912 [0,2,0,0,0,0|2,0,0]=4 2204 B13R1.725 Cc1ncoc1C(=O)NCCCO WXVL_AK0073SC0103 [0,2,0,0,0,0|2,0,0]=4 2205 B13R1.725 Cc1ncoc1C(=O)NCCCO WXVL_AK0073SC0103 [0,2,0,0,0,0|2,0,0]=4 2206 B13R1.725 N#CCCNC(=O)c1occc1Br WXVL_AK0087SC0241 [0,2,0,0,0,0|1,0,1]=4 2207 B13R1.725 N#CCCNC(=O)c1occc1Br WXVL_AK0087SC0241 [0,2,0,0,0,0|1,0,1]=4 2208 B13R1.725 O=C(NCCCO)c1occc1Br WXVL_AK0073SC0241 [0,2,0,0,0,0|1,0,0]=3 2209 B13R1.725 O=C(NCCCO)c1occc1Br WXVL_AK0073SC0241 [0,2,0,0,0,0|1,0,0]=3 2210 B13R1.725 O=C(NCCCO)c1sccc1Br WXVL_AK0073SC0364 [0,2,0,0,0,0|1,1,0]=4 2211 B13R1.725 O=C(NCCCO)c1sccc1Br WXVL_AK0073SC0364 [0,2,0,0,0,0|1,1,0]=4 2212 B13R1.725 O=C(NCCCO)c1sccc1Cl WXVL_AK0073SC0756 [0,2,0,0,0,0|1,1,0]=4 2213 B13R1.725 O=C(NCCCO)c1sccc1Cl WXVL_AK0073SC0756 [0,2,0,0,0,0|1,1,0]=4 2214 B13R1.725 O=C(NCCCO)c1sccc1F WXVL_AK0073SC0017 [0,2,0,0,0,0|1,1,0]=4 2215 B13R1.725 O=C(NCCCO)c1sccc1F WXVL_AK0073SC0017 [0,2,0,0,0,0|1,1,0]=4 2216 B13R1.725 O=C(NCCCO)c1sccc1I WXVL_AK0073SC1579 [0,2,0,0,0,0|1,1,0]=4 2217 B13R1.725 O=C(NCCCO)c1sccc1I WXVL_AK0073SC1579 [0,2,0,0,0,0|1,1,0]=4 2218 B13R1.168 C=C(C)CNC(=O)c1occc1Br WXVL_AK0761SC0241 [0,2,0,0,0,0|1,0,1]=4 2219 B13R1.168 C=C(C)CNC(=O)c1occc1Br WXVL_AK0761SC0241 [0,2,0,0,0,0|1,0,1]=4 2220 B13R1.168 C=C(C)CNC(=O)c1occc1C WXVL_AK0761SC0230 [0,2,0,0,0,0|1,0,1]=4 2221 B13R1.168 C=C(C)CNC(=O)c1occc1C WXVL_AK0761SC0230 [0,2,0,0,0,0|1,0,1]=4 2222 B13R1.168 CC(C)CNC(=O)c1occc1Br WXVL_AK00544SC0241 [0,2,0,0,0,0|1,0,0]=3 2223 B13R1.168 CC(C)CNC(=O)c1occc1Br WXVL_AK00544SC0241 [0,2,0,0,0,0|1,0,0]=3 2224 B13R1.168 CC(C)CNC(=O)c1sccc1Br WXVL_AK00544SC0364 [0,2,0,0,0,0|1,1,0]=4 2225 B13R1.168 CC(C)CNC(=O)c1sccc1Br WXVL_AK00544SC0364 [0,2,0,0,0,0|1,1,0]=4 2226 B13R1.168 CC(C)CNC(=O)c1sccc1Cl WXVL_AK00544SC0756 [0,2,0,0,0,0|1,1,0]=4 2227 B13R1.168 CC(C)CNC(=O)c1sccc1Cl WXVL_AK00544SC0756 [0,2,0,0,0,0|1,1,0]=4 2228 B13R1.168 CC(C)CNC(=O)c1sccc1F WXVL_AK00544SC0017 [0,2,0,0,0,0|1,1,0]=4 2229 B13R1.168 CC(C)CNC(=O)c1sccc1F WXVL_AK00544SC0017 [0,2,0,0,0,0|1,1,0]=4 2230 B13R1.168 CC(C)CNC(=O)c1sccc1I WXVL_AK00544SC1579 [0,2,0,0,0,0|1,1,0]=4 2231 B13R1.168 CC(C)CNC(=O)c1sccc1I WXVL_AK00544SC1579 [0,2,0,0,0,0|1,1,0]=4 2232 B13R1.168 CC(O)CNC(=O)c1occc1Br WXVL_AK0052SC0241 [0,2,0,0,0,0|1,0,0]=3 2233 B13R1.168 CC(O)CNC(=O)c1occc1Br WXVL_AK0052SC0241 [0,2,0,0,0,0|1,0,0]=3 2234 B13R1.168 CC(O)CNC(=O)c1sccc1Br WXVL_AK0052SC0364 [0,2,0,0,0,0|1,1,0]=4 2235 B13R1.168 CC(O)CNC(=O)c1sccc1Br WXVL_AK0052SC0364 [0,2,0,0,0,0|1,1,0]=4 2236 B13R1.168 CC(O)CNC(=O)c1sccc1Cl WXVL_AK0052SC0756 [0,2,0,0,0,0|1,1,0]=4 2237 B13R1.168 CC(O)CNC(=O)c1sccc1Cl WXVL_AK0052SC0756 [0,2,0,0,0,0|1,1,0]=4 2238 B13R1.168 CC(O)CNC(=O)c1sccc1F WXVL_AK0052SC0017 [0,2,0,0,0,0|1,1,0]=4 2239 B13R1.168 CC(O)CNC(=O)c1sccc1F WXVL_AK0052SC0017 [0,2,0,0,0,0|1,1,0]=4 2240 B13R1.168 CC(O)CNC(=O)c1sccc1I WXVL_AK0052SC1579 [0,2,0,0,0,0|1,1,0]=4 2241 B13R1.168 CC(O)CNC(=O)c1sccc1I WXVL_AK0052SC1579 [0,2,0,0,0,0|1,1,0]=4 2242 B13R1.168 C[C@H](O)CNC(=O)c1occc1Br WXVL_AK0113SC0241 [0,2,0,0,0,0|1,0,0]=3 2243 B13R1.168 C[C@H](O)CNC(=O)c1occc1Br WXVL_AK0113SC0241 [0,2,0,0,0,0|1,0,0]=3 2244 B13R1.168 C[C@H](O)CNC(=O)c1sccc1Br WXVL_AK0113SC0364 [0,2,0,0,0,0|1,1,0]=4 2245 B13R1.168 C[C@H](O)CNC(=O)c1sccc1Br WXVL_AK0113SC0364 [0,2,0,0,0,0|1,1,0]=4 2246 B13R1.168 C[C@H](O)CNC(=O)c1sccc1Cl WXVL_AK0113SC0756 [0,2,0,0,0,0|1,1,0]=4 2247 B13R1.168 C[C@H](O)CNC(=O)c1sccc1Cl WXVL_AK0113SC0756 [0,2,0,0,0,0|1,1,0]=4 2248 B13R1.168 C[C@H](O)CNC(=O)c1sccc1F WXVL_AK0113SC0017 [0,2,0,0,0,0|1,1,0]=4 2249 B13R1.168 C[C@H](O)CNC(=O)c1sccc1F WXVL_AK0113SC0017 [0,2,0,0,0,0|1,1,0]=4 2250 B13R1.168 C[C@H](O)CNC(=O)c1sccc1I WXVL_AK0113SC1579 [0,2,0,0,0,0|1,1,0]=4 2251 B13R1.168 C[C@H](O)CNC(=O)c1sccc1I WXVL_AK0113SC1579 [0,2,0,0,0,0|1,1,0]=4 2252 B13R1.168 Cc1cc[nH]c1C(=O)NCC(C)C WXVL_AK00544SC1315 [0,2,0,0,0,0|2,0,0]=4 2253 B13R1.168 Cc1cc[nH]c1C(=O)NCC(C)C WXVL_AK00544SC1315 [0,2,0,0,0,0|2,0,0]=4 2254 B13R1.168 Cc1cc[nH]c1C(=O)NCC(C)O WXVL_AK0052SC1315 [0,2,0,0,0,0|2,0,0]=4 2255 B13R1.168 Cc1cc[nH]c1C(=O)NCC(C)O WXVL_AK0052SC1315 [0,2,0,0,0,0|2,0,0]=4 2256 B13R1.168 Cc1cc[nH]c1C(=O)NC[C@H](C)O WXVL_AK0113SC1315 [0,2,0,0,0,0|2,0,0]=4 2257 B13R1.168 Cc1cc[nH]c1C(=O)NC[C@H](C)O WXVL_AK0113SC1315 [0,2,0,0,0,0|2,0,0]=4 2258 B13R1.168 Cc1ccoc1C(=O)NCC(C)C WXVL_AK00544SC0230 [0,2,0,0,0,0|1,0,0]=3 2259 B13R1.168 Cc1ccoc1C(=O)NCC(C)C WXVL_AK00544SC0230 [0,2,0,0,0,0|1,0,0]=3 2260 B13R1.168 Cc1ccoc1C(=O)NCC(C)O WXVL_AK0052SC0230 [0,2,0,0,0,0|1,0,0]=3 2261 B13R1.168 Cc1ccoc1C(=O)NCC(C)O WXVL_AK0052SC0230 [0,2,0,0,0,0|1,0,0]=3 2262 B13R1.168 Cc1ccoc1C(=O)NCC(F)F WXVL_AK0136SC0230 [0,2,0,0,0,0|2,0,0]=4 2263 B13R1.168 Cc1ccoc1C(=O)NCC(F)F WXVL_AK0136SC0230 [0,2,0,0,0,0|2,0,0]=4 2264 B13R1.168 Cc1ccoc1C(=O)NC[C@H](C)O WXVL_AK0113SC0230 [0,2,0,0,0,0|1,0,0]=3 2265 B13R1.168 Cc1ccoc1C(=O)NC[C@H](C)O WXVL_AK0113SC0230 [0,2,0,0,0,0|1,0,0]=3 2266 B13R1.168 Cc1ccsc1C(=O)NCC(C)C WXVL_AK00544SC0052 [0,2,0,0,0,0|1,1,0]=4 2267 B13R1.168 Cc1ccsc1C(=O)NCC(C)C WXVL_AK00544SC0052 [0,2,0,0,0,0|1,1,0]=4 2268 B13R1.168 Cc1ccsc1C(=O)NCC(C)O WXVL_AK0052SC0052 [0,2,0,0,0,0|1,1,0]=4 2269 B13R1.168 Cc1ccsc1C(=O)NCC(C)O WXVL_AK0052SC0052 [0,2,0,0,0,0|1,1,0]=4 2270 B13R1.168 Cc1ccsc1C(=O)NC[C@H](C)O WXVL_AK0113SC0052 [0,2,0,0,0,0|1,1,0]=4 2271 B13R1.168 Cc1ccsc1C(=O)NC[C@H](C)O WXVL_AK0113SC0052 [0,2,0,0,0,0|1,1,0]=4 2272 B13R1.168 Cc1cnoc1C(=O)NCC(C)C WXVL_AK00544SC0912 [0,2,0,0,0,0|2,0,0]=4 2273 B13R1.168 Cc1cnoc1C(=O)NCC(C)C WXVL_AK00544SC0912 [0,2,0,0,0,0|2,0,0]=4 2274 B13R1.168 Cc1cnoc1C(=O)NCC(C)O WXVL_AK0052SC0912 [0,2,0,0,0,0|2,0,0]=4 2275 B13R1.168 Cc1cnoc1C(=O)NCC(C)O WXVL_AK0052SC0912 [0,2,0,0,0,0|2,0,0]=4 2276 B13R1.168 Cc1cnoc1C(=O)NC[C@H](C)O WXVL_AK0113SC0912 [0,2,0,0,0,0|2,0,0]=4 2277 B13R1.168 Cc1cnoc1C(=O)NC[C@H](C)O WXVL_AK0113SC0912 [0,2,0,0,0,0|2,0,0]=4 2278 B13R1.168 Cc1ncoc1C(=O)NCC(C)C WXVL_AK00544SC0103 [0,2,0,0,0,0|2,0,0]=4 2279 B13R1.168 Cc1ncoc1C(=O)NCC(C)C WXVL_AK00544SC0103 [0,2,0,0,0,0|2,0,0]=4 2280 B13R1.168 Cc1ncoc1C(=O)NCC(C)O WXVL_AK0052SC0103 [0,2,0,0,0,0|2,0,0]=4 2281 B13R1.168 Cc1ncoc1C(=O)NCC(C)O WXVL_AK0052SC0103 [0,2,0,0,0,0|2,0,0]=4 2282 B13R1.168 Cc1ncoc1C(=O)NC[C@H](C)O WXVL_AK0113SC0103 [0,2,0,0,0,0|2,0,0]=4 2283 B13R1.168 Cc1ncoc1C(=O)NC[C@H](C)O WXVL_AK0113SC0103 [0,2,0,0,0,0|2,0,0]=4 2284 B13R1.168 O=C(NCC(F)F)c1occc1Br WXVL_AK0136SC0241 [0,2,0,0,0,0|2,0,0]=4 2285 B13R1.168 O=C(NCC(F)F)c1occc1Br WXVL_AK0136SC0241 [0,2,0,0,0,0|2,0,0]=4 2286 B13R1.340 CC(C)NC(=O)C(=O)c1ccco1 WXVL_AK0030SA0049 [0,2,0,0,0,0|1,0,1]=4 2287 B13R1.340 CC(C)NC(=O)C(=O)c1ccco1 WXVL_AK0030SA0049 [0,2,0,0,0,0|1,0,1]=4 2288 B13R1.2780 CC(C)(C)CNC(=O)c1ccco1 WXVL_AK00655SC0049 [0,2,0,0,0,0|1,0,0]=3 2289 B13R1.2780 CC(C)(C)CNC(=O)c1ccco1 WXVL_AK00655SC0049 [0,2,0,0,0,0|1,0,0]=3 2290 B13R1.2780 CC(C)(C)CNC(=O)c1cccs1 WXVL_AK00655SC0051 [0,2,0,0,0,0|1,1,0]=4 2291 B13R1.2780 CC(C)(C)CNC(=O)c1cccs1 WXVL_AK00655SC0051 [0,2,0,0,0,0|1,1,0]=4 2292 B13R1.2780 CC(C)(C)CNC(=O)c1ccno1 WXVL_AK00655SC0080 [0,2,0,0,0,0|2,0,0]=4 2293 B13R1.2780 CC(C)(C)CNC(=O)c1ccno1 WXVL_AK00655SC0080 [0,2,0,0,0,0|2,0,0]=4 2294 B13R1.2780 CC(C)(C)CNC(=O)c1cnco1 WXVL_AK00655SC0018 [0,2,0,0,0,0|2,0,0]=4 2295 B13R1.2780 CC(C)(C)CNC(=O)c1cnco1 WXVL_AK00655SC0018 [0,2,0,0,0,0|2,0,0]=4 2296 B13R1.2780 CC(C)(F)CNC(=O)c1ccco1 WXVL_AK00660SC0049 [0,2,0,0,0,0|1,0,0]=3 2297 B13R1.2780 CC(C)(F)CNC(=O)c1ccco1 WXVL_AK00660SC0049 [0,2,0,0,0,0|1,0,0]=3 2298 B13R1.2780 CC(C)(F)CNC(=O)c1cccs1 WXVL_AK00660SC0051 [0,2,0,0,0,0|1,1,0]=4 2299 B13R1.2780 CC(C)(F)CNC(=O)c1cccs1 WXVL_AK00660SC0051 [0,2,0,0,0,0|1,1,0]=4 2300 B13R1.2780 CC(C)(F)CNC(=O)c1ccno1 WXVL_AK00660SC0080 [0,2,0,0,0,0|2,0,0]=4 2301 B13R1.2780 CC(C)(F)CNC(=O)c1ccno1 WXVL_AK00660SC0080 [0,2,0,0,0,0|2,0,0]=4 2302 B13R1.2780 CC(C)(F)CNC(=O)c1cnco1 WXVL_AK00660SC0018 [0,2,0,0,0,0|2,0,0]=4 2303 B13R1.2780 CC(C)(F)CNC(=O)c1cnco1 WXVL_AK00660SC0018 [0,2,0,0,0,0|2,0,0]=4 2304 B13R1.2780 CC(C)(O)CNC(=O)c1ccco1 WXVL_AK0490SC0049 [0,2,0,0,0,0|1,0,0]=3 2305 B13R1.2780 CC(C)(O)CNC(=O)c1ccco1 WXVL_AK0490SC0049 [0,2,0,0,0,0|1,0,0]=3 2306 B13R1.2780 CC(C)(O)CNC(=O)c1cccs1 WXVL_AK0490SC0051 [0,2,0,0,0,0|1,1,0]=4 2307 B13R1.2780 CC(C)(O)CNC(=O)c1cccs1 WXVL_AK0490SC0051 [0,2,0,0,0,0|1,1,0]=4 2308 B13R1.2780 CC(C)(O)CNC(=O)c1ccno1 WXVL_AK0490SC0080 [0,2,0,0,0,0|2,0,0]=4 2309 B13R1.2780 CC(C)(O)CNC(=O)c1ccno1 WXVL_AK0490SC0080 [0,2,0,0,0,0|2,0,0]=4 2310 B13R1.2780 CC(C)(O)CNC(=O)c1cnco1 WXVL_AK0490SC0018 [0,2,0,0,0,0|2,0,0]=4 2311 B13R1.2780 CC(C)(O)CNC(=O)c1cnco1 WXVL_AK0490SC0018 [0,2,0,0,0,0|2,0,0]=4 2312 B13R1.2780 CC(F)(F)CNC(=O)c1ccco1 WXVL_AK0308SC0049 [0,2,0,0,0,0|1,0,0]=3 2313 B13R1.2780 CC(F)(F)CNC(=O)c1ccco1 WXVL_AK0308SC0049 [0,2,0,0,0,0|1,0,0]=3 2314 B13R1.2780 CC(F)(F)CNC(=O)c1cccs1 WXVL_AK0308SC0051 [0,2,0,0,0,0|1,1,0]=4 2315 B13R1.2780 CC(F)(F)CNC(=O)c1cccs1 WXVL_AK0308SC0051 [0,2,0,0,0,0|1,1,0]=4 2316 B13R1.2780 CC(F)(F)CNC(=O)c1ccno1 WXVL_AK0308SC0080 [0,2,0,0,0,0|2,0,0]=4 2317 B13R1.2780 CC(F)(F)CNC(=O)c1ccno1 WXVL_AK0308SC0080 [0,2,0,0,0,0|2,0,0]=4 2318 B13R1.2780 CC(F)(F)CNC(=O)c1cnco1 WXVL_AK0308SC0018 [0,2,0,0,0,0|2,0,0]=4 2319 B13R1.2780 CC(F)(F)CNC(=O)c1cnco1 WXVL_AK0308SC0018 [0,2,0,0,0,0|2,0,0]=4 2320 B13R1.2780 O=C(NCC(F)(F)F)c1ccco1 WXVL_AK00033SC0049 [0,2,0,0,0,0|2,0,0]=4 2321 B13R1.2780 O=C(NCC(F)(F)F)c1ccco1 WXVL_AK00033SC0049 [0,2,0,0,0,0|2,0,0]=4 2322 B13R1.379 CCN(CCO)C(=O)c1ccco1 WXVL_AN3174SC0049 [0,2,0,0,0,0|2,0,0]=4 2323 B13R1.2909 CN(CCO)C(=O)c1occc1Br WXVL_AN2670SC0241 [0,2,0,0,0,0|2,0,0]=4 2324 B13R1.2909 CN(CCO)C(=O)c1occc1Br WXVL_AN2670SC0241 [0,2,0,0,0,0|2,0,0]=4 2325 B13R1.2909 Cc1ccoc1C(=O)N(C)CCO WXVL_AN2670SC0230 [0,2,0,0,0,0|2,0,0]=4 2326 B13R1.2909 Cc1ccoc1C(=O)N(C)CCO WXVL_AN2670SC0230 [0,2,0,0,0,0|2,0,0]=4 2327 B13R1.684 CCCNC(=O)c1sccc1OC WXVL_AK00504SC0825 [0,2,0,0,0,0|1,1,0]=4 2328 B13R1.684 CCCNC(=O)c1sccc1OC WXVL_AK00504SC0825 [0,2,0,0,0,0|1,1,0]=4 2329 B11R1.301 C/C=C/C=C/C(=O)NC1CC1 WXVL_AK0001SB0348 [0,0,1,1,0,0|2,0,0]=4 2330 B11R1.301 C/C=C/C=C/C(=O)NC1CC1 WXVL_AK0001SB0348 [0,0,1,1,0,0|2,0,0]=4 2331 B11R2.2 C1=C(CCC1)c2cccs2 WXVL_LR0498BT0967 [1,0,0,1,0,0|1,1,0]=4 2332 B13R2.690 O=C(NC1CC1)c2ccccc2 WXVL_AK0001SD0001 [0,0,0,1,0,1|2,0,0]=4 2333 B13R2.690 O=C(NC1CC1)c2ccccc2 WXVL_AK0001SD0001 [0,0,0,1,0,1|2,0,0]=4 2334 B13R2.690 O=C(NC1CC1)c2ccccn2 WXVL_AK0001SC0058 [0,0,0,1,0,1|2,0,0]=4 2335 B13R2.690 O=C(NC1CC1)c2ccccn2 WXVL_AK0001SC0058 [0,0,0,1,0,1|2,0,0]=4 2336 B13R2.690 O=C(NC1CC1)c2cccnc2 WXVL_AK0001SC0061 [0,0,0,1,0,1|2,0,0]=4 2337 B13R2.690 O=C(NC1CC1)c2cccnc2 WXVL_AK0001SC0061 [0,0,0,1,0,1|2,0,0]=4 2338 B13R2.690 O=C(NC1CC1)c2cccnn2 WXVL_AK0001SC0374 [0,0,0,1,0,1|2,0,0]=4 2339 B13R2.690 O=C(NC1CC1)c2cccnn2 WXVL_AK0001SC0374 [0,0,0,1,0,1|2,0,0]=4 2340 B13R2.690 O=C(NC1CC1)c2ccncc2 WXVL_AK0001SC0062 [0,0,0,1,0,1|2,0,0]=4 2341 B13R2.690 O=C(NC1CC1)c2ccncc2 WXVL_AK0001SC0062 [0,0,0,1,0,1|2,0,0]=4 2342 B13R2.690 O=C(NC1CC1)c2ccncn2 WXVL_AK0001SC0231 [0,0,0,1,0,1|2,0,0]=4 2343 B13R2.690 O=C(NC1CC1)c2ccncn2 WXVL_AK0001SC0231 [0,0,0,1,0,1|2,0,0]=4 2344 B13R2.690 O=C(NC1CC1)c2ncccn2 WXVL_AK0001SC0096 [0,0,0,1,0,1|2,0,0]=4 2345 B13R2.690 O=C(NC1CC1)c2ncccn2 WXVL_AK0001SC0096 [0,0,0,1,0,1|2,0,0]=4 2346 B13R2.18 CC1=C(CCCC1)c2cccs2 WXVL_LR0498BT5146 [0,0,0,1,0,1|1,1,0]=4 2347 B13R2.201 CC1CC1C(=O)Nc2cc[nH]n2 WXVL_AF2373SB0041 [0,0,0,1,0,1|2,0,0]=4 2348 B13R2.201 CC1CC1C(=O)Nc2cc[nH]n2 WXVL_AF2373SB0041 [0,0,0,1,0,1|2,0,0]=4 2349 B13R2.201 CC1CC1C(=O)Nc2ccn[nH]2 WXVL_AF0122SB0041 [0,0,0,1,0,1|2,0,0]=4 2350 B13R2.201 CC1CC1C(=O)Nc2ccn[nH]2 WXVL_AF0122SB0041 [0,0,0,1,0,1|2,0,0]=4 2351 B13R2.201 CC1CC1C(=O)Nc2ccno2 WXVL_AF0588SB0041 [0,0,0,1,0,1|1,0,0]=3 2352 B13R2.201 CC1CC1C(=O)Nc2ccno2 WXVL_AF0588SB0041 [0,0,0,1,0,1|1,0,0]=3 2353 B13R2.201 CC1CC1C(=O)Nc2ccns2 WXVL_AF00325SB0041 [0,0,0,1,0,1|1,1,0]=4 2354 B13R2.201 CC1CC1C(=O)Nc2ccns2 WXVL_AF00325SB0041 [0,0,0,1,0,1|1,1,0]=4 2355 B13R2.201 CC1CC1C(=O)Nc2ccon2 WXVL_AF0028SB0041 [0,0,0,1,0,1|2,0,0]=4 2356 B13R2.201 CC1CC1C(=O)Nc2ccon2 WXVL_AF0028SB0041 [0,0,0,1,0,1|2,0,0]=4 2357 B13R2.201 CC1CC1C(=O)Nc2ccsc2 WXVL_AF00105SB0041 [0,0,0,1,0,1|2,0,0]=4 2358 B13R2.201 CC1CC1C(=O)Nc2ccsc2 WXVL_AF00105SB0041 [0,0,0,1,0,1|2,0,0]=4 2359 B13R2.201 CC1CC1C(=O)Nc2cnc[nH]2 WXVL_AF00103SB0041 [0,0,0,1,0,1|2,0,0]=4 2360 B13R2.201 CC1CC1C(=O)Nc2cnc[nH]2 WXVL_AF00103SB0041 [0,0,0,1,0,1|2,0,0]=4 2361 B13R2.201 CC1CC1C(=O)Nc2cncs2 WXVL_AF0724SB0041 [0,0,0,1,0,1|1,1,0]=4 2362 B13R2.201 CC1CC1C(=O)Nc2cncs2 WXVL_AF0724SB0041 [0,0,0,1,0,1|1,1,0]=4 2363 B13R2.201 CC1CC1C(=O)Nc2cscn2 WXVL_AF00216SB0041 [0,0,0,1,0,1|2,0,0]=4 2364 B13R2.201 CC1CC1C(=O)Nc2cscn2 WXVL_AF00216SB0041 [0,0,0,1,0,1|2,0,0]=4 2365 B13R2.201 CC1CC1C(=O)Nc2ncc[nH]2 WXVL_AF0297SB0041 [0,0,0,1,0,1|2,0,0]=4 2366 B13R2.201 CC1CC1C(=O)Nc2ncc[nH]2 WXVL_AF0297SB0041 [0,0,0,1,0,1|2,0,0]=4 2367 B13R2.201 CC1CC1C(=O)Nc2ncco2 WXVL_AF0235SB0041 [0,0,0,1,0,1|1,0,0]=3 2368 B13R2.201 CC1CC1C(=O)Nc2ncco2 WXVL_AF0235SB0041 [0,0,0,1,0,1|1,0,0]=3 2369 B13R2.201 CC1CC1C(=O)Nc2nccs2 WXVL_AF0003SB0041 [0,0,0,1,0,1|1,1,0]=4 2370 B13R2.201 CC1CC1C(=O)Nc2nccs2 WXVL_AF0003SB0041 [0,0,0,1,0,1|1,1,0]=4 2371 B13R2.201 CC1CC1C(=O)Nc2nnco2 WXVL_AF0087SB0041 [0,0,0,1,0,1|2,0,0]=4 2372 B13R2.201 CC1CC1C(=O)Nc2nnco2 WXVL_AF0087SB0041 [0,0,0,1,0,1|2,0,0]=4 2373 B13R2.201 O=C(Nc1ccno1)[C@@H]2C[C@@H]2F WXVL_AF0588SB1245 [0,0,0,1,0,1|2,0,0]=4 2374 B13R2.201 O=C(Nc1ccno1)[C@@H]2C[C@@H]2F WXVL_AF0588SB1245 [0,0,0,1,0,1|2,0,0]=4 2375 B13R2.201 O=C(Nc1ccno1)[C@H]2C[C@H]2F WXVL_AF0588SB00019 [0,0,0,1,0,1|2,0,0]=4 2376 B13R2.201 O=C(Nc1ccno1)[C@H]2C[C@H]2F WXVL_AF0588SB00019 [0,0,0,1,0,1|2,0,0]=4 2377 B13R2.201 O=C(Nc1ncco1)[C@@H]2C[C@@H]2F WXVL_AF0235SB1245 [0,0,0,1,0,1|2,0,0]=4 2378 B13R2.201 O=C(Nc1ncco1)[C@@H]2C[C@@H]2F WXVL_AF0235SB1245 [0,0,0,1,0,1|2,0,0]=4 2379 B13R2.201 O=C(Nc1ncco1)[C@H]2C[C@H]2F WXVL_AF0235SB00019 [0,0,0,1,0,1|2,0,0]=4 2380 B13R2.201 O=C(Nc1ncco1)[C@H]2C[C@H]2F WXVL_AF0235SB00019 [0,0,0,1,0,1|2,0,0]=4 2381 B13R2.696 O=C(CC1CC1)Nc2cc[nH]n2 WXVL_AF2373SB0155 [0,0,0,1,0,1|2,0,0]=4 2382 B13R2.696 O=C(CC1CC1)Nc2cc[nH]n2 WXVL_AF2373SB0155 [0,0,0,1,0,1|2,0,0]=4 2383 B13R2.696 O=C(CC1CC1)Nc2ccn[nH]2 WXVL_AF0122SB0155 [0,0,0,1,0,1|2,0,0]=4 2384 B13R2.696 O=C(CC1CC1)Nc2ccn[nH]2 WXVL_AF0122SB0155 [0,0,0,1,0,1|2,0,0]=4 2385 B13R2.696 O=C(CC1CC1)Nc2ccno2 WXVL_AF0588SB0155 [0,0,0,1,0,1|1,0,0]=3 2386 B13R2.696 O=C(CC1CC1)Nc2ccno2 WXVL_AF0588SB0155 [0,0,0,1,0,1|1,0,0]=3 2387 B13R2.696 O=C(CC1CC1)Nc2ccns2 WXVL_AF00325SB0155 [0,0,0,1,0,1|1,1,0]=4 2388 B13R2.696 O=C(CC1CC1)Nc2ccns2 WXVL_AF00325SB0155 [0,0,0,1,0,1|1,1,0]=4 2389 B13R2.696 O=C(CC1CC1)Nc2ccon2 WXVL_AF0028SB0155 [0,0,0,1,0,1|2,0,0]=4 2390 B13R2.696 O=C(CC1CC1)Nc2ccon2 WXVL_AF0028SB0155 [0,0,0,1,0,1|2,0,0]=4 2391 B13R2.696 O=C(CC1CC1)Nc2ccsc2 WXVL_AF00105SB0155 [0,0,0,1,0,1|2,0,0]=4 2392 B13R2.696 O=C(CC1CC1)Nc2ccsc2 WXVL_AF00105SB0155 [0,0,0,1,0,1|2,0,0]=4 2393 B13R2.696 O=C(CC1CC1)Nc2cnc[nH]2 WXVL_AF00103SB0155 [0,0,0,1,0,1|2,0,0]=4 2394 B13R2.696 O=C(CC1CC1)Nc2cnc[nH]2 WXVL_AF00103SB0155 [0,0,0,1,0,1|2,0,0]=4 2395 B13R2.696 O=C(CC1CC1)Nc2cncs2 WXVL_AF0724SB0155 [0,0,0,1,0,1|1,1,0]=4 2396 B13R2.696 O=C(CC1CC1)Nc2cncs2 WXVL_AF0724SB0155 [0,0,0,1,0,1|1,1,0]=4 2397 B13R2.696 O=C(CC1CC1)Nc2cscn2 WXVL_AF00216SB0155 [0,0,0,1,0,1|2,0,0]=4 2398 B13R2.696 O=C(CC1CC1)Nc2cscn2 WXVL_AF00216SB0155 [0,0,0,1,0,1|2,0,0]=4 2399 B13R2.696 O=C(CC1CC1)Nc2ncc[nH]2 WXVL_AF0297SB0155 [0,0,0,1,0,1|2,0,0]=4 2400 B13R2.696 O=C(CC1CC1)Nc2ncc[nH]2 WXVL_AF0297SB0155 [0,0,0,1,0,1|2,0,0]=4 2401 B13R2.696 O=C(CC1CC1)Nc2ncco2 WXVL_AF0235SB0155 [0,0,0,1,0,1|1,0,0]=3 2402 B13R2.696 O=C(CC1CC1)Nc2ncco2 WXVL_AF0235SB0155 [0,0,0,1,0,1|1,0,0]=3 2403 B13R2.696 O=C(CC1CC1)Nc2nccs2 WXVL_AF0003SB0155 [0,0,0,1,0,1|1,1,0]=4 2404 B13R2.696 O=C(CC1CC1)Nc2nccs2 WXVL_AF0003SB0155 [0,0,0,1,0,1|1,1,0]=4 2405 B13R2.696 O=C(CC1CC1)Nc2nnco2 WXVL_AF0087SB0155 [0,0,0,1,0,1|2,0,0]=4 2406 B13R2.696 O=C(CC1CC1)Nc2nnco2 WXVL_AF0087SB0155 [0,0,0,1,0,1|2,0,0]=4 2407 B13R2.696 O=C(Cc1cccs1)NC2CC2 WXVL_AK0001SA0018 [0,0,0,1,0,1|1,1,0]=4 2408 B13R2.696 O=C(Cc1cccs1)NC2CC2 WXVL_AK0001SA0018 [0,0,0,1,0,1|1,1,0]=4 2409 B13R2.14233 O=C(Nc1cc[nH]n1)C2CCC2 WXVL_AF2373SB0042 [0,0,0,1,0,1|2,0,0]=4 2410 B13R2.14233 O=C(Nc1cc[nH]n1)C2CCC2 WXVL_AF2373SB0042 [0,0,0,1,0,1|2,0,0]=4 2411 B13R2.14233 O=C(Nc1ccn[nH]1)C2CCC2 WXVL_AF0122SB0042 [0,0,0,1,0,1|2,0,0]=4 2412 B13R2.14233 O=C(Nc1ccn[nH]1)C2CCC2 WXVL_AF0122SB0042 [0,0,0,1,0,1|2,0,0]=4 2413 B13R2.14233 O=C(Nc1ccno1)C2CCC2 WXVL_AF0588SB0042 [0,0,0,1,0,1|1,0,0]=3 2414 B13R2.14233 O=C(Nc1ccno1)C2CCC2 WXVL_AF0588SB0042 [0,0,0,1,0,1|1,0,0]=3 2415 B13R2.14233 O=C(Nc1ccns1)C2CCC2 WXVL_AF00325SB0042 [0,0,0,1,0,1|1,1,0]=4 2416 B13R2.14233 O=C(Nc1ccns1)C2CCC2 WXVL_AF00325SB0042 [0,0,0,1,0,1|1,1,0]=4 2417 B13R2.14233 O=C(Nc1ccon1)C2CCC2 WXVL_AF0028SB0042 [0,0,0,1,0,1|2,0,0]=4 2418 B13R2.14233 O=C(Nc1ccon1)C2CCC2 WXVL_AF0028SB0042 [0,0,0,1,0,1|2,0,0]=4 2419 B13R2.14233 O=C(Nc1ccsc1)C2CCC2 WXVL_AF00105SB0042 [0,0,0,1,0,1|2,0,0]=4 2420 B13R2.14233 O=C(Nc1ccsc1)C2CCC2 WXVL_AF00105SB0042 [0,0,0,1,0,1|2,0,0]=4 2421 B13R2.14233 O=C(Nc1cnc[nH]1)C2CCC2 WXVL_AF00103SB0042 [0,0,0,1,0,1|2,0,0]=4 2422 B13R2.14233 O=C(Nc1cnc[nH]1)C2CCC2 WXVL_AF00103SB0042 [0,0,0,1,0,1|2,0,0]=4 2423 B13R2.14233 O=C(Nc1cncs1)C2CCC2 WXVL_AF0724SB0042 [0,0,0,1,0,1|1,1,0]=4 2424 B13R2.14233 O=C(Nc1cncs1)C2CCC2 WXVL_AF0724SB0042 [0,0,0,1,0,1|1,1,0]=4 2425 B13R2.14233 O=C(Nc1cscn1)C2CCC2 WXVL_AF00216SB0042 [0,0,0,1,0,1|2,0,0]=4 2426 B13R2.14233 O=C(Nc1cscn1)C2CCC2 WXVL_AF00216SB0042 [0,0,0,1,0,1|2,0,0]=4 2427 B13R2.14233 O=C(Nc1ncc[nH]1)C2CCC2 WXVL_AF0297SB0042 [0,0,0,1,0,1|2,0,0]=4 2428 B13R2.14233 O=C(Nc1ncc[nH]1)C2CCC2 WXVL_AF0297SB0042 [0,0,0,1,0,1|2,0,0]=4 2429 B13R2.14233 O=C(Nc1ncco1)C2CCC2 WXVL_AF0235SB0042 [0,0,0,1,0,1|1,0,0]=3 2430 B13R2.14233 O=C(Nc1ncco1)C2CCC2 WXVL_AF0235SB0042 [0,0,0,1,0,1|1,0,0]=3 2431 B13R2.14233 O=C(Nc1nccs1)C2CCC2 WXVL_AF0003SB0042 [0,0,0,1,0,1|1,1,0]=4 2432 B13R2.14233 O=C(Nc1nccs1)C2CCC2 WXVL_AF0003SB0042 [0,0,0,1,0,1|1,1,0]=4 2433 B13R2.14233 O=C(Nc1nnco1)C2CCC2 WXVL_AF0087SB0042 [0,0,0,1,0,1|2,0,0]=4 2434 B13R2.14233 O=C(Nc1nnco1)C2CCC2 WXVL_AF0087SB0042 [0,0,0,1,0,1|2,0,0]=4 2435 B13R2.445 O=C(NC1CNC1)c2ccco2 WXVL_AK1291SC0049 [0,1,0,1,0,0|1,0,0]=3 2436 B13R2.445 O=C(NC1CNC1)c2ccco2 WXVL_AK1291SC0049 [0,1,0,1,0,0|1,0,0]=3 2437 B13R2.445 O=C(NC1CNC1)c2cccs2 WXVL_AK1291SC0051 [0,1,0,1,0,0|1,1,0]=4 2438 B13R2.445 O=C(NC1CNC1)c2cccs2 WXVL_AK1291SC0051 [0,1,0,1,0,0|1,1,0]=4 2439 B13R2.445 O=C(NC1CNC1)c2ccno2 WXVL_AK1291SC0080 [0,1,0,1,0,0|2,0,0]=4 2440 B13R2.445 O=C(NC1CNC1)c2ccno2 WXVL_AK1291SC0080 [0,1,0,1,0,0|2,0,0]=4 2441 B13R2.445 O=C(NC1CNC1)c2cnco2 WXVL_AK1291SC0018 [0,1,0,1,0,0|2,0,0]=4 2442 B13R2.445 O=C(NC1CNC1)c2cnco2 WXVL_AK1291SC0018 [0,1,0,1,0,0|2,0,0]=4 2443 B13R2.445 O=C(NC1CSC1)c2ccco2 WXVL_AK2089SC0049 [0,1,0,1,0,0|1,0,0]=3 2444 B13R2.445 O=C(NC1CSC1)c2ccco2 WXVL_AK2089SC0049 [0,1,0,1,0,0|1,0,0]=3 2445 B13R2.445 O=C(NC1CSC1)c2cccs2 WXVL_AK2089SC0051 [0,1,0,1,0,0|1,1,0]=4 2446 B13R2.445 O=C(NC1CSC1)c2cccs2 WXVL_AK2089SC0051 [0,1,0,1,0,0|1,1,0]=4 2447 B13R2.445 O=C(NC1CSC1)c2ccno2 WXVL_AK2089SC0080 [0,1,0,1,0,0|2,0,0]=4 2448 B13R2.445 O=C(NC1CSC1)c2ccno2 WXVL_AK2089SC0080 [0,1,0,1,0,0|2,0,0]=4 2449 B13R2.445 O=C(NC1CSC1)c2cnco2 WXVL_AK2089SC0018 [0,1,0,1,0,0|2,0,0]=4 2450 B13R2.445 O=C(NC1CSC1)c2cnco2 WXVL_AK2089SC0018 [0,1,0,1,0,0|2,0,0]=4 2451 B13R2.694 CC1(CC1)NC(=O)c2ccco2 WXVL_AK0263SC0049 [0,1,0,1,0,0|1,0,0]=3 2452 B13R2.694 CC1(CC1)NC(=O)c2ccco2 WXVL_AK0263SC0049 [0,1,0,1,0,0|1,0,0]=3 2453 B13R2.694 CC1(CC1)NC(=O)c2cccs2 WXVL_AK0263SC0051 [0,1,0,1,0,0|1,1,0]=4 2454 B13R2.694 CC1(CC1)NC(=O)c2cccs2 WXVL_AK0263SC0051 [0,1,0,1,0,0|1,1,0]=4 2455 B13R2.694 CC1(CC1)NC(=O)c2ccno2 WXVL_AK0263SC0080 [0,1,0,1,0,0|2,0,0]=4 2456 B13R2.694 CC1(CC1)NC(=O)c2ccno2 WXVL_AK0263SC0080 [0,1,0,1,0,0|2,0,0]=4 2457 B13R2.694 CC1(CC1)NC(=O)c2cnco2 WXVL_AK0263SC0018 [0,1,0,1,0,0|2,0,0]=4 2458 B13R2.694 CC1(CC1)NC(=O)c2cnco2 WXVL_AK0263SC0018 [0,1,0,1,0,0|2,0,0]=4 2459 B13R2.2975 Cc1c[nH]c(c1)C(=O)NC2CC2 WXVL_AK0001SC0830 [0,1,0,1,0,0|2,0,0]=4 2460 B13R2.2975 Cc1c[nH]c(c1)C(=O)NC2CC2 WXVL_AK0001SC0830 [0,1,0,1,0,0|2,0,0]=4 2461 B13R2.2975 Cc1cc(on1)C(=O)NC2CC2 WXVL_AK0001SC0089 [0,1,0,1,0,0|2,0,0]=4 2462 B13R2.2975 Cc1cc(on1)C(=O)NC2CC2 WXVL_AK0001SC0089 [0,1,0,1,0,0|2,0,0]=4 2463 B13R2.2975 Cc1ccc(o1)C(=O)NC2CC2 WXVL_AK0001SC0005 [0,1,0,1,0,0|1,0,0]=3 2464 B13R2.2975 Cc1ccc(o1)C(=O)NC2CC2 WXVL_AK0001SC0005 [0,1,0,1,0,0|1,0,0]=3 2465 B13R2.2975 Cc1ccc(s1)C(=O)NC2CC2 WXVL_AK0001SC0053 [0,1,0,1,0,0|1,1,0]=4 2466 B13R2.2975 Cc1ccc(s1)C(=O)NC2CC2 WXVL_AK0001SC0053 [0,1,0,1,0,0|1,1,0]=4 2467 B13R2.2975 Cc1csc(c1)C(=O)NC2CC2 WXVL_AK0001SC0004 [0,1,0,1,0,0|1,1,0]=4 2468 B13R2.2975 Cc1csc(c1)C(=O)NC2CC2 WXVL_AK0001SC0004 [0,1,0,1,0,0|1,1,0]=4 2469 B13R2.2975 O=C(NC1CC1)c2cc(c[nH]2)Br WXVL_AK0001SC0644 [0,1,0,1,0,0|2,0,0]=4 2470 B13R2.2975 O=C(NC1CC1)c2cc(c[nH]2)Br WXVL_AK0001SC0644 [0,1,0,1,0,0|2,0,0]=4 2471 B13R2.2975 O=C(NC1CC1)c2cc(c[nH]2)F WXVL_AK0001SC0334 [0,1,0,1,0,0|2,0,0]=4 2472 B13R2.2975 O=C(NC1CC1)c2cc(c[nH]2)F WXVL_AK0001SC0334 [0,1,0,1,0,0|2,0,0]=4 2473 B13R2.2975 O=C(NC1CC1)c2cc(cs2)Br WXVL_AK0001SC0188 [0,1,0,1,0,0|1,1,0]=4 2474 B13R2.2975 O=C(NC1CC1)c2cc(cs2)Br WXVL_AK0001SC0188 [0,1,0,1,0,0|1,1,0]=4 2475 B13R2.2975 O=C(NC1CC1)c2cc(no2)O WXVL_AK0001SC0522 [0,1,0,1,0,0|2,0,0]=4 2476 B13R2.2975 O=C(NC1CC1)c2cc(no2)O WXVL_AK0001SC0522 [0,1,0,1,0,0|2,0,0]=4 2477 B13R2.2975 O=C(NC1CC1)c2ccc(o2)Cl WXVL_AK0001SC0926 [0,1,0,1,0,0|1,0,0]=3 2478 B13R2.2975 O=C(NC1CC1)c2ccc(o2)Cl WXVL_AK0001SC0926 [0,1,0,1,0,0|1,0,0]=3 2479 B13R2.2975 O=C(NC1CC1)c2ccc(s2)Br WXVL_AK0001SC0359 [0,1,0,1,0,0|1,1,0]=4 2480 B13R2.2975 O=C(NC1CC1)c2ccc(s2)Br WXVL_AK0001SC0359 [0,1,0,1,0,0|1,1,0]=4 2481 B13R2.2975 O=C(NC1CC1)c2ccc(s2)Cl WXVL_AK0001SC0067 [0,1,0,1,0,0|1,1,0]=4 2482 B13R2.2975 O=C(NC1CC1)c2ccc(s2)Cl WXVL_AK0001SC0067 [0,1,0,1,0,0|1,1,0]=4 2483 B13R2.2975 O=C(NC1CC1)c2cnc(o2)Br WXVL_AK0001SC0815 [0,1,0,1,0,0|2,0,0]=4 2484 B13R2.2975 O=C(NC1CC1)c2cnc(o2)Br WXVL_AK0001SC0815 [0,1,0,1,0,0|2,0,0]=4 2485 B13R2.674 O=C(c1c[nH]cn1)N2CCCC2 WXVL_AN0008SC0074 [0,1,0,1,0,0|2,0,0]=4 2486 B13R2.674 O=C(c1c[nH]cn1)N2CCCC2 WXVL_AN0008SC0074 [0,1,0,1,0,0|2,0,0]=4 2487 B13R2.674 O=C(c1cc[nH]c1)N2CCCC2 WXVL_AN0008SC0013 [0,1,0,1,0,0|2,0,0]=4 2488 B13R2.674 O=C(c1cc[nH]c1)N2CCCC2 WXVL_AN0008SC0013 [0,1,0,1,0,0|2,0,0]=4 2489 B13R2.674 O=C(c1cc[nH]n1)N2CCCC2 WXVL_AN0008SC0003 [0,1,0,1,0,0|2,0,0]=4 2490 B13R2.674 O=C(c1cc[nH]n1)N2CCCC2 WXVL_AN0008SC0003 [0,1,0,1,0,0|2,0,0]=4 2491 B13R2.674 O=C(c1ccco1)N2CCCC2 WXVL_AN0008SC0049 [0,1,0,1,0,0|0,0,0]=2 2492 B13R2.674 O=C(c1ccco1)N2CCCC2 WXVL_AN0008SC0049 [0,1,0,1,0,0|0,0,0]=2 2493 B13R2.674 O=C(c1cccs1)N2CCCC2 WXVL_AN0008SC0051 [0,1,0,1,0,0|0,1,0]=3 2494 B13R2.674 O=C(c1cccs1)N2CCCC2 WXVL_AN0008SC0051 [0,1,0,1,0,0|0,1,0]=3 2495 B13R2.674 O=C(c1ccno1)N2CCCC2 WXVL_AN0008SC0080 [0,1,0,1,0,0|1,0,0]=3 2496 B13R2.674 O=C(c1ccno1)N2CCCC2 WXVL_AN0008SC0080 [0,1,0,1,0,0|1,0,0]=3 2497 B13R2.674 O=C(c1ccns1)N2CCCC2 WXVL_AN0008SC0027 [0,1,0,1,0,0|1,1,0]=4 2498 B13R2.674 O=C(c1ccns1)N2CCCC2 WXVL_AN0008SC0027 [0,1,0,1,0,0|1,1,0]=4 2499 B13R2.674 O=C(c1ccoc1)N2CCCC2 WXVL_AN0008SC0050 [0,1,0,1,0,0|2,0,0]=4 2500 B13R2.674 O=C(c1ccoc1)N2CCCC2 WXVL_AN0008SC0050 [0,1,0,1,0,0|2,0,0]=4 2501 B13R2.674 O=C(c1ccon1)N2CCCC2 WXVL_AN0008SC0116 [0,1,0,1,0,0|2,0,0]=4 2502 B13R2.674 O=C(c1ccon1)N2CCCC2 WXVL_AN0008SC0116 [0,1,0,1,0,0|2,0,0]=4 2503 B13R2.674 O=C(c1ccsc1)N2CCCC2 WXVL_AN0008SC0054 [0,1,0,1,0,0|2,0,0]=4 2504 B13R2.674 O=C(c1ccsc1)N2CCCC2 WXVL_AN0008SC0054 [0,1,0,1,0,0|2,0,0]=4 2505 B13R2.674 O=C(c1ccsn1)N2CCCC2 WXVL_AN0008SC0764 [0,1,0,1,0,0|2,0,0]=4 2506 B13R2.674 O=C(c1ccsn1)N2CCCC2 WXVL_AN0008SC0764 [0,1,0,1,0,0|2,0,0]=4 2507 B13R2.674 O=C(c1cnc[nH]1)N2CCCC2 WXVL_AN0008SC0247 [0,1,0,1,0,0|2,0,0]=4 2508 B13R2.674 O=C(c1cnc[nH]1)N2CCCC2 WXVL_AN0008SC0247 [0,1,0,1,0,0|2,0,0]=4 2509 B13R2.674 O=C(c1cnco1)N2CCCC2 WXVL_AN0008SC0018 [0,1,0,1,0,0|1,0,0]=3 2510 B13R2.674 O=C(c1cnco1)N2CCCC2 WXVL_AN0008SC0018 [0,1,0,1,0,0|1,0,0]=3 2511 B13R2.674 O=C(c1cncs1)N2CCCC2 WXVL_AN0008SC0113 [0,1,0,1,0,0|1,1,0]=4 2512 B13R2.674 O=C(c1cncs1)N2CCCC2 WXVL_AN0008SC0113 [0,1,0,1,0,0|1,1,0]=4 2513 B13R2.674 O=C(c1cocn1)N2CCCC2 WXVL_AN0008SC0118 [0,1,0,1,0,0|2,0,0]=4 2514 B13R2.674 O=C(c1cocn1)N2CCCC2 WXVL_AN0008SC0118 [0,1,0,1,0,0|2,0,0]=4 2515 B13R2.674 O=C(c1cscn1)N2CCCC2 WXVL_AN0008SC0092 [0,1,0,1,0,0|2,0,0]=4 2516 B13R2.674 O=C(c1cscn1)N2CCCC2 WXVL_AN0008SC0092 [0,1,0,1,0,0|2,0,0]=4 2517 B13R2.674 O=C(c1nccs1)N2CCCC2 WXVL_AN0008SC0110 [0,1,0,1,0,0|1,1,0]=4 2518 B13R2.674 O=C(c1nccs1)N2CCCC2 WXVL_AN0008SC0110 [0,1,0,1,0,0|1,1,0]=4 2519 B13R2.12 CC1CC=C(CC1)c2cccs2 WXVL_LR0498BT5147 [0,1,0,1,0,0|1,1,0]=4 2520 B13R2.12 OC1CC=C(CC1)c2cccs2 WXVL_LR0498BT3130 [0,1,0,1,0,0|1,1,0]=4 2521 B13R2.233 CC1CN(C1)C(=O)c2ccco2 WXVL_AN0291SC0049 [0,1,0,1,0,0|1,0,0]=3 2522 B13R2.233 CC1CN(C1)C(=O)c2ccco2 WXVL_AN0291SC0049 [0,1,0,1,0,0|1,0,0]=3 2523 B13R2.233 CC1CN(C1)C(=O)c2cccs2 WXVL_AN0291SC0051 [0,1,0,1,0,0|1,1,0]=4 2524 B13R2.233 CC1CN(C1)C(=O)c2cccs2 WXVL_AN0291SC0051 [0,1,0,1,0,0|1,1,0]=4 2525 B13R2.233 CC1CN(C1)C(=O)c2ccno2 WXVL_AN0291SC0080 [0,1,0,1,0,0|2,0,0]=4 2526 B13R2.233 CC1CN(C1)C(=O)c2ccno2 WXVL_AN0291SC0080 [0,1,0,1,0,0|2,0,0]=4 2527 B13R2.233 CC1CN(C1)C(=O)c2cnco2 WXVL_AN0291SC0018 [0,1,0,1,0,0|2,0,0]=4 2528 B13R2.233 CC1CN(C1)C(=O)c2cnco2 WXVL_AN0291SC0018 [0,1,0,1,0,0|2,0,0]=4 2529 B13R2.233 O=C(c1ccco1)N2CC(C2)O WXVL_AN0284SC0049 [0,1,0,1,0,0|1,0,0]=3 2530 B13R2.233 O=C(c1ccco1)N2CC(C2)O WXVL_AN0284SC0049 [0,1,0,1,0,0|1,0,0]=3 2531 B13R2.233 O=C(c1cccs1)N2CC(C2)O WXVL_AN0284SC0051 [0,1,0,1,0,0|1,1,0]=4 2532 B13R2.233 O=C(c1cccs1)N2CC(C2)O WXVL_AN0284SC0051 [0,1,0,1,0,0|1,1,0]=4 2533 B13R2.233 O=C(c1ccno1)N2CC(C2)O WXVL_AN0284SC0080 [0,1,0,1,0,0|2,0,0]=4 2534 B13R2.233 O=C(c1ccno1)N2CC(C2)O WXVL_AN0284SC0080 [0,1,0,1,0,0|2,0,0]=4 2535 B13R2.233 O=C(c1cnco1)N2CC(C2)O WXVL_AN0284SC0018 [0,1,0,1,0,0|2,0,0]=4 2536 B13R2.233 O=C(c1cnco1)N2CC(C2)O WXVL_AN0284SC0018 [0,1,0,1,0,0|2,0,0]=4 2537 B13R2.8139 CN(C(=O)c1ccco1)C2CC2 WXVL_AN0276SC0049 [0,1,0,1,0,0|1,0,0]=3 2538 B13R2.8139 CN(C(=O)c1ccco1)C2CC2 WXVL_AN0276SC0049 [0,1,0,1,0,0|1,0,0]=3 2539 B13R2.8139 CN(C(=O)c1cccs1)C2CC2 WXVL_AN0276SC0051 [0,1,0,1,0,0|1,1,0]=4 2540 B13R2.8139 CN(C(=O)c1cccs1)C2CC2 WXVL_AN0276SC0051 [0,1,0,1,0,0|1,1,0]=4 2541 B13R2.8139 CN(C(=O)c1ccno1)C2CC2 WXVL_AN0276SC0080 [0,1,0,1,0,0|2,0,0]=4 2542 B13R2.8139 CN(C(=O)c1ccno1)C2CC2 WXVL_AN0276SC0080 [0,1,0,1,0,0|2,0,0]=4 2543 B13R2.8139 CN(C(=O)c1cnco1)C2CC2 WXVL_AN0276SC0018 [0,1,0,1,0,0|2,0,0]=4 2544 B13R2.8139 CN(C(=O)c1cnco1)C2CC2 WXVL_AN0276SC0018 [0,1,0,1,0,0|2,0,0]=4 2545 B13R2.15 Cc1ccsc1C2=CCCCC2 WXVL_LR0502BT0857 [0,1,0,1,0,0|1,1,0]=4 2546 B13R2.15 Cc1ccsc1C2=CCCCC2 WXVL_LR0502BT0936 [0,1,0,1,0,0|1,1,0]=4 2547 B13R2.15 Clc1ccsc1C2=CCCCC2 WXVL_LR0754BT0857 [0,1,0,1,0,0|1,1,0]=4 2548 B13R2.15 Clc1ccsc1C2=CCCCC2 WXVL_LR0754BT0936 [0,1,0,1,0,0|1,1,0]=4 2549 B13R2.3151 Cc1cc[nH]c1C(=O)NC2CC2 WXVL_AK0001SC1315 [0,1,0,1,0,0|2,0,0]=4 2550 B13R2.3151 Cc1cc[nH]c1C(=O)NC2CC2 WXVL_AK0001SC1315 [0,1,0,1,0,0|2,0,0]=4 2551 B13R2.3151 Cc1ccoc1C(=O)NC2CC2 WXVL_AK0001SC0230 [0,1,0,1,0,0|1,0,0]=3 2552 B13R2.3151 Cc1ccoc1C(=O)NC2CC2 WXVL_AK0001SC0230 [0,1,0,1,0,0|1,0,0]=3 2553 B13R2.3151 Cc1ccsc1C(=O)NC2CC2 WXVL_AK0001SC0052 [0,1,0,1,0,0|1,1,0]=4 2554 B13R2.3151 Cc1ccsc1C(=O)NC2CC2 WXVL_AK0001SC0052 [0,1,0,1,0,0|1,1,0]=4 2555 B13R2.3151 Cc1cnoc1C(=O)NC2CC2 WXVL_AK0001SC0912 [0,1,0,1,0,0|2,0,0]=4 2556 B13R2.3151 Cc1cnoc1C(=O)NC2CC2 WXVL_AK0001SC0912 [0,1,0,1,0,0|2,0,0]=4 2557 B13R2.3151 Cc1ncoc1C(=O)NC2CC2 WXVL_AK0001SC0103 [0,1,0,1,0,0|2,0,0]=4 2558 B13R2.3151 Cc1ncoc1C(=O)NC2CC2 WXVL_AK0001SC0103 [0,1,0,1,0,0|2,0,0]=4 2559 B13R2.3151 O=C(NC1CC1)c2occc2Br WXVL_AK0001SC0241 [0,1,0,1,0,0|1,0,0]=3 2560 B13R2.3151 O=C(NC1CC1)c2occc2Br WXVL_AK0001SC0241 [0,1,0,1,0,0|1,0,0]=3 2561 B13R2.3151 O=C(NC1CC1)c2sccc2Br WXVL_AK0001SC0364 [0,1,0,1,0,0|1,1,0]=4 2562 B13R2.3151 O=C(NC1CC1)c2sccc2Br WXVL_AK0001SC0364 [0,1,0,1,0,0|1,1,0]=4 2563 B13R2.3151 O=C(NC1CC1)c2sccc2Cl WXVL_AK0001SC0756 [0,1,0,1,0,0|1,1,0]=4 2564 B13R2.3151 O=C(NC1CC1)c2sccc2Cl WXVL_AK0001SC0756 [0,1,0,1,0,0|1,1,0]=4 2565 B13R2.3151 O=C(NC1CC1)c2sccc2F WXVL_AK0001SC0017 [0,1,0,1,0,0|1,1,0]=4 2566 B13R2.3151 O=C(NC1CC1)c2sccc2F WXVL_AK0001SC0017 [0,1,0,1,0,0|1,1,0]=4 2567 B13R2.3151 O=C(NC1CC1)c2sccc2I WXVL_AK0001SC1579 [0,1,0,1,0,0|1,1,0]=4 2568 B13R2.3151 O=C(NC1CC1)c2sccc2I WXVL_AK0001SC1579 [0,1,0,1,0,0|1,1,0]=4 2569 B13R1.44 CCCNC(=O)Cc1ccccc1 WXVL_AK00504SB0092 [0,0,0,0,0,2|2,0,0]=4 2570 B13R1.44 CCCNC(=O)Cc1ccccc1 WXVL_AK00504SB0092 [0,0,0,0,0,2|2,0,0]=4 2571 B13R1.44 CCCNC(=O)Cc1ccccn1 WXVL_AK00504SA0032 [0,0,0,0,0,2|2,0,0]=4 2572 B13R1.44 CCCNC(=O)Cc1ccccn1 WXVL_AK00504SA0032 [0,0,0,0,0,2|2,0,0]=4 2573 B13R1.44 CCCNC(=O)Cc1cccnc1 WXVL_AK00504SA0029 [0,0,0,0,0,2|2,0,0]=4 2574 B13R1.44 CCCNC(=O)Cc1cccnc1 WXVL_AK00504SA0029 [0,0,0,0,0,2|2,0,0]=4 2575 B13R1.44 CCCNC(=O)Cc1cccnc1 WXVL_AK00504SB00049 [0,0,0,0,0,2|2,0,0]=4 2576 B13R1.44 CCCNC(=O)Cc1cccnc1 WXVL_AK00504SB00049 [0,0,0,0,0,2|2,0,0]=4 2577 B13R1.44 CCCNC(=O)Cc1ccncc1 WXVL_AK00504SA00106 [0,0,0,0,0,2|2,0,0]=4 2578 B13R1.44 CCCNC(=O)Cc1ccncc1 WXVL_AK00504SA00106 [0,0,0,0,0,2|2,0,0]=4 2579 B13R1.44 CCCNC(=O)Cc1ncccn1 WXVL_AK00504SA0307 [0,0,0,0,0,2|2,0,0]=4 2580 B13R1.44 CCCNC(=O)Cc1ncccn1 WXVL_AK00504SA0307 [0,0,0,0,0,2|2,0,0]=4 2581 B13R1.44 CCCNC(=O)Nc1ccccn1 WXVL_AK00504YV0189 [0,0,0,0,0,2|2,0,0]=4 2582 B13R1.44 CCCNC(=O)Nc1ccccn1 WXVL_AK00504YV0189 [0,0,0,0,0,2|2,0,0]=4 2583 B13R1.44 CCOCC(=O)Nc1ccccc1 WXVL_AG00183SB0091 [0,0,0,0,0,2|2,0,0]=4 2584 B13R1.44 CCOCC(=O)Nc1ccccc1 WXVL_AG00183SB0091 [0,0,0,0,0,2|2,0,0]=4 2585 B13R1.44 CCOCC(=O)Nc1ccccn1 WXVL_AF00298SB0091 [0,0,0,0,0,2|2,0,0]=4 2586 B13R1.44 CCOCC(=O)Nc1ccccn1 WXVL_AF00298SB0091 [0,0,0,0,0,2|2,0,0]=4 2587 B13R1.44 CCOCC(=O)Nc1cccnn1 WXVL_AF0151SB0091 [0,0,0,0,0,2|2,0,0]=4 2588 B13R1.44 CCOCC(=O)Nc1cccnn1 WXVL_AF0151SB0091 [0,0,0,0,0,2|2,0,0]=4 2589 B13R1.44 CCOCC(=O)Nc1ccncn1 WXVL_AF0139SB0091 [0,0,0,0,0,2|2,0,0]=4 2590 B13R1.44 CCOCC(=O)Nc1ccncn1 WXVL_AF0139SB0091 [0,0,0,0,0,2|2,0,0]=4 2591 B13R1.44 CCOCC(=O)Nc1cnccn1 WXVL_AF0120SB0091 [0,0,0,0,0,2|2,0,0]=4 2592 B13R1.44 CCOCC(=O)Nc1cnccn1 WXVL_AF0120SB0091 [0,0,0,0,0,2|2,0,0]=4 2593 B13R1.44 CCSCC(=O)Nc1ccccc1 WXVL_AG00183SB0002 [0,0,0,0,0,2|2,0,0]=4 2594 B13R1.44 CCSCC(=O)Nc1ccccc1 WXVL_AG00183SB0002 [0,0,0,0,0,2|2,0,0]=4 2595 B13R1.44 CCSCC(=O)Nc1ccccn1 WXVL_AF00298SB0002 [0,0,0,0,0,2|2,0,0]=4 2596 B13R1.44 CCSCC(=O)Nc1ccccn1 WXVL_AF00298SB0002 [0,0,0,0,0,2|2,0,0]=4 2597 B13R1.44 CCSCC(=O)Nc1cccnn1 WXVL_AF0151SB0002 [0,0,0,0,0,2|2,0,0]=4 2598 B13R1.44 CCSCC(=O)Nc1cccnn1 WXVL_AF0151SB0002 [0,0,0,0,0,2|2,0,0]=4 2599 B13R1.44 CCSCC(=O)Nc1ccncn1 WXVL_AF0139SB0002 [0,0,0,0,0,2|2,0,0]=4 2600 B13R1.44 CCSCC(=O)Nc1ccncn1 WXVL_AF0139SB0002 [0,0,0,0,0,2|2,0,0]=4 2601 B13R1.44 CCSCC(=O)Nc1cnccn1 WXVL_AF0120SB0002 [0,0,0,0,0,2|2,0,0]=4 2602 B13R1.44 CCSCC(=O)Nc1cnccn1 WXVL_AF0120SB0002 [0,0,0,0,0,2|2,0,0]=4 2603 B13R1.44 COCCC(=O)Nc1ccccc1 WXVL_AG00183SB0156 [0,0,0,0,0,2|2,0,0]=4 2604 B13R1.44 COCCC(=O)Nc1ccccc1 WXVL_AG00183SB0156 [0,0,0,0,0,2|2,0,0]=4 2605 B13R1.44 COCCC(=O)Nc1ccccn1 WXVL_AF00298SB0156 [0,0,0,0,0,2|2,0,0]=4 2606 B13R1.44 COCCC(=O)Nc1ccccn1 WXVL_AF00298SB0156 [0,0,0,0,0,2|2,0,0]=4 2607 B13R1.44 COCCC(=O)Nc1cccnn1 WXVL_AF0151SB0156 [0,0,0,0,0,2|2,0,0]=4 2608 B13R1.44 COCCC(=O)Nc1cccnn1 WXVL_AF0151SB0156 [0,0,0,0,0,2|2,0,0]=4 2609 B13R1.44 COCCC(=O)Nc1ccncn1 WXVL_AF0139SB0156 [0,0,0,0,0,2|2,0,0]=4 2610 B13R1.44 COCCC(=O)Nc1ccncn1 WXVL_AF0139SB0156 [0,0,0,0,0,2|2,0,0]=4 2611 B13R1.44 COCCC(=O)Nc1cnccn1 WXVL_AF0120SB0156 [0,0,0,0,0,2|2,0,0]=4 2612 B13R1.44 COCCC(=O)Nc1cnccn1 WXVL_AF0120SB0156 [0,0,0,0,0,2|2,0,0]=4 2613 B13R1.44 CSCCC(=O)Nc1ccccc1 WXVL_AG00183SB0361 [0,0,0,0,0,2|2,0,0]=4 2614 B13R1.44 CSCCC(=O)Nc1ccccc1 WXVL_AG00183SB0361 [0,0,0,0,0,2|2,0,0]=4 2615 B13R1.44 CSCCC(=O)Nc1ccccn1 WXVL_AF00298SB0361 [0,0,0,0,0,2|2,0,0]=4 2616 B13R1.44 CSCCC(=O)Nc1ccccn1 WXVL_AF00298SB0361 [0,0,0,0,0,2|2,0,0]=4 2617 B13R1.44 CSCCC(=O)Nc1cccnn1 WXVL_AF0151SB0361 [0,0,0,0,0,2|2,0,0]=4 2618 B13R1.44 CSCCC(=O)Nc1cccnn1 WXVL_AF0151SB0361 [0,0,0,0,0,2|2,0,0]=4 2619 B13R1.44 CSCCC(=O)Nc1ccncn1 WXVL_AF0139SB0361 [0,0,0,0,0,2|2,0,0]=4 2620 B13R1.44 CSCCC(=O)Nc1ccncn1 WXVL_AF0139SB0361 [0,0,0,0,0,2|2,0,0]=4 2621 B13R1.44 CSCCC(=O)Nc1cnccn1 WXVL_AF0120SB0361 [0,0,0,0,0,2|2,0,0]=4 2622 B13R1.44 CSCCC(=O)Nc1cnccn1 WXVL_AF0120SB0361 [0,0,0,0,0,2|2,0,0]=4 2623 B13R1.153 C#CCCC(=O)NCc1ccco1 WXVL_AK0010SB2189 [0,0,0,0,0,2|0,0,2]=4 2624 B13R1.153 C#CCCC(=O)NCc1ccco1 WXVL_AK0010SB2189 [0,0,0,0,0,2|0,0,2]=4 2625 B13R1.153 C=CCCC(=O)NCc1ccco1 WXVL_AK0010SB1035 [0,0,0,0,0,2|0,0,2]=4 2626 B13R1.153 C=CCCC(=O)NCc1ccco1 WXVL_AK0010SB1035 [0,0,0,0,0,2|0,0,2]=4 2627 B13R1.153 CCCNC(=O)/C=C/c1ccco1 WXVL_AK00504SA0180 [0,0,0,0,0,2|1,0,0]=3 2628 B13R1.153 CCCNC(=O)/C=C/c1ccco1 WXVL_AK00504SA0180 [0,0,0,0,0,2|1,0,0]=3 2629 B13R1.153 CCCNC(=O)/C=C/c1cccs1 WXVL_AK00504SA0001 [0,0,0,0,0,2|1,1,0]=4 2630 B13R1.153 CCCNC(=O)/C=C/c1cccs1 WXVL_AK00504SA0001 [0,0,0,0,0,2|1,1,0]=4 2631 B13R1.153 CCCNC(=O)CCc1ccc[nH]1 WXVL_AK00504SA0009 [0,0,0,0,0,2|2,0,0]=4 2632 B13R1.153 CCCNC(=O)CCc1ccc[nH]1 WXVL_AK00504SA0009 [0,0,0,0,0,2|2,0,0]=4 2633 B13R1.153 CCCNC(=O)CCc1ccco1 WXVL_AK00504SA0167 [0,0,0,0,0,2|1,0,0]=3 2634 B13R1.153 CCCNC(=O)CCc1ccco1 WXVL_AK00504SA0167 [0,0,0,0,0,2|1,0,0]=3 2635 B13R1.153 CCCNC(=O)CCc1cccs1 WXVL_AK00504SA0303 [0,0,0,0,0,2|1,1,0]=4 2636 B13R1.153 CCCNC(=O)CCc1cccs1 WXVL_AK00504SA0303 [0,0,0,0,0,2|1,1,0]=4 2637 B13R1.153 CCOCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0091 [0,0,0,0,0,2|2,0,0]=4 2638 B13R1.153 CCOCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0091 [0,0,0,0,0,2|2,0,0]=4 2639 B13R1.153 CCOCC(=O)NCc1ccco1 WXVL_AK0010SB0091 [0,0,0,0,0,2|1,0,0]=3 2640 B13R1.153 CCOCC(=O)NCc1ccco1 WXVL_AK0010SB0091 [0,0,0,0,0,2|1,0,0]=3 2641 B13R1.153 CCOCC(=O)NCc1cccs1 WXVL_AK0014SB0091 [0,0,0,0,0,2|1,1,0]=4 2642 B13R1.153 CCOCC(=O)NCc1cccs1 WXVL_AK0014SB0091 [0,0,0,0,0,2|1,1,0]=4 2643 B13R1.153 CCOCC(=O)NCc1cnco1 WXVL_AK1437SB0091 [0,0,0,0,0,2|2,0,0]=4 2644 B13R1.153 CCOCC(=O)NCc1cnco1 WXVL_AK1437SB0091 [0,0,0,0,0,2|2,0,0]=4 2645 B13R1.153 CCSCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0002 [0,0,0,0,0,2|2,0,0]=4 2646 B13R1.153 CCSCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0002 [0,0,0,0,0,2|2,0,0]=4 2647 B13R1.153 CCSCC(=O)NCc1ccco1 WXVL_AK0010SB0002 [0,0,0,0,0,2|1,0,0]=3 2648 B13R1.153 CCSCC(=O)NCc1ccco1 WXVL_AK0010SB0002 [0,0,0,0,0,2|1,0,0]=3 2649 B13R1.153 CCSCC(=O)NCc1cccs1 WXVL_AK0014SB0002 [0,0,0,0,0,2|1,1,0]=4 2650 B13R1.153 CCSCC(=O)NCc1cccs1 WXVL_AK0014SB0002 [0,0,0,0,0,2|1,1,0]=4 2651 B13R1.153 CCSCC(=O)NCc1cnco1 WXVL_AK1437SB0002 [0,0,0,0,0,2|2,0,0]=4 2652 B13R1.153 CCSCC(=O)NCc1cnco1 WXVL_AK1437SB0002 [0,0,0,0,0,2|2,0,0]=4 2653 B13R1.153 COCCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0156 [0,0,0,0,0,2|2,0,0]=4 2654 B13R1.153 COCCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0156 [0,0,0,0,0,2|2,0,0]=4 2655 B13R1.153 COCCC(=O)NCc1ccco1 WXVL_AK0010SB0156 [0,0,0,0,0,2|1,0,0]=3 2656 B13R1.153 COCCC(=O)NCc1ccco1 WXVL_AK0010SB0156 [0,0,0,0,0,2|1,0,0]=3 2657 B13R1.153 COCCC(=O)NCc1cccs1 WXVL_AK0014SB0156 [0,0,0,0,0,2|1,1,0]=4 2658 B13R1.153 COCCC(=O)NCc1cccs1 WXVL_AK0014SB0156 [0,0,0,0,0,2|1,1,0]=4 2659 B13R1.153 COCCC(=O)NCc1cnco1 WXVL_AK1437SB0156 [0,0,0,0,0,2|2,0,0]=4 2660 B13R1.153 COCCC(=O)NCc1cnco1 WXVL_AK1437SB0156 [0,0,0,0,0,2|2,0,0]=4 2661 B13R1.153 CSCCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0361 [0,0,0,0,0,2|2,0,0]=4 2662 B13R1.153 CSCCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0361 [0,0,0,0,0,2|2,0,0]=4 2663 B13R1.153 CSCCC(=O)NCc1ccco1 WXVL_AK0010SB0361 [0,0,0,0,0,2|1,0,0]=3 2664 B13R1.153 CSCCC(=O)NCc1ccco1 WXVL_AK0010SB0361 [0,0,0,0,0,2|1,0,0]=3 2665 B13R1.153 CSCCC(=O)NCc1cccs1 WXVL_AK0014SB0361 [0,0,0,0,0,2|1,1,0]=4 2666 B13R1.153 CSCCC(=O)NCc1cccs1 WXVL_AK0014SB0361 [0,0,0,0,0,2|1,1,0]=4 2667 B13R1.153 CSCCC(=O)NCc1cnco1 WXVL_AK1437SB0361 [0,0,0,0,0,2|2,0,0]=4 2668 B13R1.153 CSCCC(=O)NCc1cnco1 WXVL_AK1437SB0361 [0,0,0,0,0,2|2,0,0]=4 2669 B13R1.153 O=C(/C=C/c1ccco1)NCCF WXVL_AK00466SA0180 [0,0,0,0,0,2|2,0,0]=4 2670 B13R1.153 O=C(/C=C/c1ccco1)NCCF WXVL_AK00466SA0180 [0,0,0,0,0,2|2,0,0]=4 2671 B13R1.153 O=C(CCc1ccco1)NCCF WXVL_AK00466SA0167 [0,0,0,0,0,2|2,0,0]=4 2672 B13R1.153 O=C(CCc1ccco1)NCCF WXVL_AK00466SA0167 [0,0,0,0,0,2|2,0,0]=4 2673 B13R1.153 O=C(NCCCl)NCc1ccco1 WXVL_AK0010YV0092 [0,0,0,0,0,2|2,0,0]=4 2674 B13R1.153 O=C(NCCCl)NCc1ccco1 WXVL_AK0010YV0092 [0,0,0,0,0,2|2,0,0]=4