0 B11R1.77 CC(=O)NC(C)c1ccno1 WXVL_AK6536SB0150 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.77 CC(=O)NC(C)c1ccno1 WXVL_AK6536SB0150 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.77 CC(=O)N[C@@H](C)c1cccs1 WXVL_AK00667SB0150 [0,0,0,0,0,0|2,1,1]=4 3 B11R1.77 CC(=O)N[C@@H](C)c1cccs1 WXVL_AK00667SB0150 [0,0,0,0,0,0|2,1,1]=4 4 B11R1.77 CC(C)NC(=O)c1ccco1 WXVL_AK0030SC0049 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.77 CC(C)NC(=O)c1ccco1 WXVL_AK0030SC0049 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.77 CC(C)NC(=O)c1cccs1 WXVL_AK0030SC0051 [0,0,0,0,0,0|2,1,1]=4 7 B11R1.77 CC(C)NC(=O)c1cccs1 WXVL_AK0030SC0051 [0,0,0,0,0,0|2,1,1]=4 8 B11R1.77 CC(C)NC(=O)c1ccno1 WXVL_AK0030SC0080 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.77 CC(C)NC(=O)c1ccno1 WXVL_AK0030SC0080 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.77 CC(C)NC(=O)c1cnco1 WXVL_AK0030SC0018 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.77 CC(C)NC(=O)c1cnco1 WXVL_AK0030SC0018 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [1,0,0,0,0,0|1,1,1]=4 15 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [1,0,0,0,0,0|1,1,1]=4 16 B10R1.11 CCNC(=O)c1ccno1 WXVL_AK00476SC0080 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.11 CCNC(=O)c1ccno1 WXVL_AK00476SC0080 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.11 CCNC(=O)c1cnco1 WXVL_AK00476SC0018 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.11 CCNC(=O)c1cnco1 WXVL_AK00476SC0018 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.66 CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0150 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.66 CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0150 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.66 CC(=O)NCc1ccco1 WXVL_AK0010SB0150 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.66 CC(=O)NCc1ccco1 WXVL_AK0010SB0150 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.66 CC(=O)NCc1cccs1 WXVL_AK0014SB0150 [1,0,0,0,0,0|1,1,1]=4 25 B10R1.66 CC(=O)NCc1cccs1 WXVL_AK0014SB0150 [1,0,0,0,0,0|1,1,1]=4 26 B10R1.66 CC(=O)NCc1cnco1 WXVL_AK1437SB0150 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.66 CC(=O)NCc1cnco1 WXVL_AK1437SB0150 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.66 NC(=O)/C=C/c1ccco1 WXVL_AK0084SA0180 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.66 NC(=O)/C=C/c1ccco1 WXVL_AK0084SA0180 [1,0,0,0,0,0|1,0,1]=3 30 B10R1.66 NC(=O)/C=C/c1cccs1 WXVL_AK0084SA0001 [1,0,0,0,0,0|1,1,1]=4 31 B10R1.66 NC(=O)/C=C/c1cccs1 WXVL_AK0084SA0001 [1,0,0,0,0,0|1,1,1]=4 32 B10R1.66 NC(=O)CCc1ccc[nH]1 WXVL_AK0084SA0009 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.66 NC(=O)CCc1ccc[nH]1 WXVL_AK0084SA0009 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.66 NC(=O)CCc1ccco1 WXVL_AK0084SA0167 [1,0,0,0,0,0|1,0,1]=3 35 B10R1.66 NC(=O)CCc1ccco1 WXVL_AK0084SA0167 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.66 NC(=O)CCc1cccs1 WXVL_AK0084SA0303 [1,0,0,0,0,0|1,1,1]=4 37 B10R1.66 NC(=O)CCc1cccs1 WXVL_AK0084SA0303 [1,0,0,0,0,0|1,1,1]=4 38 B12R1.15 C#C[C@@H](C)NC(=O)c1ccco1 WXVL_AK00735SC0049 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.15 C#C[C@@H](C)NC(=O)c1ccco1 WXVL_AK00735SC0049 [0,1,0,0,0,0|2,0,1]=4 40 B12R1.15 C=CC(C)NC(=O)c1ccco1 WXVL_AK00769SC0049 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.15 C=CC(C)NC(=O)c1ccco1 WXVL_AK00769SC0049 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.15 CC(C#N)NC(=O)c1ccco1 WXVL_AK00810SC0049 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.15 CC(C#N)NC(=O)c1ccco1 WXVL_AK00810SC0049 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.15 CC[C@H](C)NC(=O)c1ccco1 WXVL_AK00678SC0049 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.15 CC[C@H](C)NC(=O)c1ccco1 WXVL_AK00678SC0049 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.15 C[C@@H](CF)NC(=O)c1ccco1 WXVL_AK00558SC0049 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.15 C[C@@H](CF)NC(=O)c1ccco1 WXVL_AK00558SC0049 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.15 C[C@@H](CO)NC(=O)c1ccco1 WXVL_AK0109SC0049 [0,1,0,0,0,0|1,0,2]=4 49 B12R1.15 C[C@@H](CO)NC(=O)c1ccco1 WXVL_AK0109SC0049 [0,1,0,0,0,0|1,0,2]=4 50 B12R1.103 CC(C)NC(=O)c1ccc(o1)Cl WXVL_AK0030SC0926 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.103 CC(C)NC(=O)c1ccc(o1)Cl WXVL_AK0030SC0926 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.103 Cc1ccc(o1)C(=O)NC(C)C WXVL_AK0030SC0005 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.103 Cc1ccc(o1)C(=O)NC(C)C WXVL_AK0030SC0005 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.120 CC(C)N(C)C(=O)c1ccco1 WXVL_AN0073SC0049 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.120 CC(C)N(C)C(=O)c1ccco1 WXVL_AN0073SC0049 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.120 CN(C)C(=O)C(=O)c1ccco1 WXVL_AN0032SA0049 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.120 CN(C)C(=O)C(=O)c1ccco1 WXVL_AN0032SA0049 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.144 CC(C)NC(=O)c1occc1Br WXVL_AK0030SC0241 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.144 CC(C)NC(=O)c1occc1Br WXVL_AK0030SC0241 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.144 Cc1ccoc1C(=O)NC(C)C WXVL_AK0030SC0230 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.144 Cc1ccoc1C(=O)NC(C)C WXVL_AK0030SC0230 [0,1,0,0,0,0|2,0,1]=4 62 B12R1.265 CC(C)(C)NC(=O)c1ccco1 WXVL_AK0024SC0049 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.265 CC(C)(C)NC(=O)c1ccco1 WXVL_AK0024SC0049 [0,1,0,0,0,0|2,0,1]=4 64 B12R2.6 Cc1ccc(s1)c2ccco2 WXVL_LR0501BT1995 [0,0,0,1,0,0|3,0,0]=4 65 B12R2.6 Cc1cnc([nH]1)c2ccco2 WXVL_LR1156BT1995 [0,0,0,1,0,0|3,0,0]=4 66 B12R2.6 Cc1nc(no1)c2ccco2 WXVL_LR0423BT1995 [0,0,0,1,0,0|2,0,1]=4 67 B12R2.6 Cc1ncc(s1)c2ccco2 WXVL_LR0558BT1995 [0,0,0,1,0,0|3,0,0]=4 68 B12R2.6 Cc1nnc(o1)c2ccco2 WXVL_LR0506BT1995 [0,0,0,1,0,0|3,0,0]=4 69 B12R2.2074 O=C(NC1CC1)c2ccco2 WXVL_AK0001SC0049 [0,0,0,1,0,0|2,0,1]=4 70 B12R2.2074 O=C(NC1CC1)c2ccco2 WXVL_AK0001SC0049 [0,0,0,1,0,0|2,0,1]=4 71 B10R1.23 CN(C)C(=O)c1ccco1 WXVL_AN0032SC0049 [0,0,0,0,1,0|2,0,0]=3 72 B10R1.23 CN(C)C(=O)c1ccco1 WXVL_AN0032SC0049 [0,0,0,0,1,0|2,0,0]=3 73 B10R1.23 CN(C)C(=O)c1cccs1 WXVL_AN0032SC0051 [0,0,0,0,1,0|2,1,0]=4 74 B10R1.23 CN(C)C(=O)c1cccs1 WXVL_AN0032SC0051 [0,0,0,0,1,0|2,1,0]=4 75 B10R1.23 CN(C)C(=O)c1ccno1 WXVL_AN0032SC0080 [0,0,0,0,1,0|3,0,0]=4 76 B10R1.23 CN(C)C(=O)c1ccno1 WXVL_AN0032SC0080 [0,0,0,0,1,0|3,0,0]=4 77 B10R1.23 CN(C)C(=O)c1cnco1 WXVL_AN0032SC0018 [0,0,0,0,1,0|3,0,0]=4 78 B10R1.23 CN(C)C(=O)c1cnco1 WXVL_AN0032SC0018 [0,0,0,0,1,0|3,0,0]=4 79 B10R1.23 NC(=O)C(=O)c1ccco1 WXVL_AK0084SA0049 [0,0,0,0,1,0|1,0,0]=2 80 B10R1.23 NC(=O)C(=O)c1ccco1 WXVL_AK0084SA0049 [0,0,0,0,1,0|1,0,0]=2 81 B12R1.54 C=C(C)CNC(=O)c1c[nH]cn1 WXVL_AK0761SC0074 [0,0,0,0,0,1|3,0,0]=4 82 B12R1.54 C=C(C)CNC(=O)c1c[nH]cn1 WXVL_AK0761SC0074 [0,0,0,0,0,1|3,0,0]=4 83 B12R1.54 C=C(C)CNC(=O)c1cc[nH]c1 WXVL_AK0761SC0013 [0,0,0,0,0,1|3,0,0]=4 84 B12R1.54 C=C(C)CNC(=O)c1cc[nH]c1 WXVL_AK0761SC0013 [0,0,0,0,0,1|3,0,0]=4 85 B12R1.54 C=C(C)CNC(=O)c1cc[nH]n1 WXVL_AK0761SC0003 [0,0,0,0,0,1|3,0,0]=4 86 B12R1.54 C=C(C)CNC(=O)c1cc[nH]n1 WXVL_AK0761SC0003 [0,0,0,0,0,1|3,0,0]=4 87 B12R1.54 C=C(C)CNC(=O)c1ccco1 WXVL_AK0761SC0049 [0,0,0,0,0,1|1,0,0]=2 88 B12R1.54 C=C(C)CNC(=O)c1ccco1 WXVL_AK0761SC0049 [0,0,0,0,0,1|1,0,0]=2 89 B12R1.54 C=C(C)CNC(=O)c1cccs1 WXVL_AK0761SC0051 [0,0,0,0,0,1|1,1,0]=3 90 B12R1.54 C=C(C)CNC(=O)c1cccs1 WXVL_AK0761SC0051 [0,0,0,0,0,1|1,1,0]=3 91 B12R1.54 C=C(C)CNC(=O)c1ccno1 WXVL_AK0761SC0080 [0,0,0,0,0,1|2,0,0]=3 92 B12R1.54 C=C(C)CNC(=O)c1ccno1 WXVL_AK0761SC0080 [0,0,0,0,0,1|2,0,0]=3 93 B12R1.54 C=C(C)CNC(=O)c1ccns1 WXVL_AK0761SC0027 [0,0,0,0,0,1|2,1,0]=4 94 B12R1.54 C=C(C)CNC(=O)c1ccns1 WXVL_AK0761SC0027 [0,0,0,0,0,1|2,1,0]=4 95 B12R1.54 C=C(C)CNC(=O)c1ccoc1 WXVL_AK0761SC0050 [0,0,0,0,0,1|3,0,0]=4 96 B12R1.54 C=C(C)CNC(=O)c1ccoc1 WXVL_AK0761SC0050 [0,0,0,0,0,1|3,0,0]=4 97 B12R1.54 C=C(C)CNC(=O)c1ccon1 WXVL_AK0761SC0116 [0,0,0,0,0,1|3,0,0]=4 98 B12R1.54 C=C(C)CNC(=O)c1ccon1 WXVL_AK0761SC0116 [0,0,0,0,0,1|3,0,0]=4 99 B12R1.54 C=C(C)CNC(=O)c1ccsc1 WXVL_AK0761SC0054 [0,0,0,0,0,1|3,0,0]=4 100 B12R1.54 C=C(C)CNC(=O)c1ccsc1 WXVL_AK0761SC0054 [0,0,0,0,0,1|3,0,0]=4 101 B12R1.54 C=C(C)CNC(=O)c1ccsn1 WXVL_AK0761SC0764 [0,0,0,0,0,1|3,0,0]=4 102 B12R1.54 C=C(C)CNC(=O)c1ccsn1 WXVL_AK0761SC0764 [0,0,0,0,0,1|3,0,0]=4 103 B12R1.54 C=C(C)CNC(=O)c1cnc[nH]1 WXVL_AK0761SC0247 [0,0,0,0,0,1|3,0,0]=4 104 B12R1.54 C=C(C)CNC(=O)c1cnc[nH]1 WXVL_AK0761SC0247 [0,0,0,0,0,1|3,0,0]=4 105 B12R1.54 C=C(C)CNC(=O)c1cnco1 WXVL_AK0761SC0018 [0,0,0,0,0,1|2,0,0]=3 106 B12R1.54 C=C(C)CNC(=O)c1cnco1 WXVL_AK0761SC0018 [0,0,0,0,0,1|2,0,0]=3 107 B12R1.54 C=C(C)CNC(=O)c1cncs1 WXVL_AK0761SC0113 [0,0,0,0,0,1|2,1,0]=4 108 B12R1.54 C=C(C)CNC(=O)c1cncs1 WXVL_AK0761SC0113 [0,0,0,0,0,1|2,1,0]=4 109 B12R1.54 C=C(C)CNC(=O)c1cocn1 WXVL_AK0761SC0118 [0,0,0,0,0,1|3,0,0]=4 110 B12R1.54 C=C(C)CNC(=O)c1cocn1 WXVL_AK0761SC0118 [0,0,0,0,0,1|3,0,0]=4 111 B12R1.54 C=C(C)CNC(=O)c1cscn1 WXVL_AK0761SC0092 [0,0,0,0,0,1|3,0,0]=4 112 B12R1.54 C=C(C)CNC(=O)c1cscn1 WXVL_AK0761SC0092 [0,0,0,0,0,1|3,0,0]=4 113 B12R1.54 C=C(C)CNC(=O)c1nccs1 WXVL_AK0761SC0110 [0,0,0,0,0,1|2,1,0]=4 114 B12R1.54 C=C(C)CNC(=O)c1nccs1 WXVL_AK0761SC0110 [0,0,0,0,0,1|2,1,0]=4 115 B12R1.54 CC(C)CNC(=O)c1ccco1 WXVL_AK00544SC0049 [0,0,0,0,0,1|1,0,1]=3 116 B12R1.54 CC(C)CNC(=O)c1ccco1 WXVL_AK00544SC0049 [0,0,0,0,0,1|1,0,1]=3 117 B12R1.54 CC(C)CNC(=O)c1cccs1 WXVL_AK00544SC0051 [0,0,0,0,0,1|1,1,1]=4 118 B12R1.54 CC(C)CNC(=O)c1cccs1 WXVL_AK00544SC0051 [0,0,0,0,0,1|1,1,1]=4 119 B12R1.54 CC(C)CNC(=O)c1ccno1 WXVL_AK00544SC0080 [0,0,0,0,0,1|2,0,1]=4 120 B12R1.54 CC(C)CNC(=O)c1ccno1 WXVL_AK00544SC0080 [0,0,0,0,0,1|2,0,1]=4 121 B12R1.54 CC(C)CNC(=O)c1cnco1 WXVL_AK00544SC0018 [0,0,0,0,0,1|2,0,1]=4 122 B12R1.54 CC(C)CNC(=O)c1cnco1 WXVL_AK00544SC0018 [0,0,0,0,0,1|2,0,1]=4 123 B12R1.54 CC(O)CNC(=O)c1ccco1 WXVL_AK0052SC0049 [0,0,0,0,0,1|0,0,2]=3 124 B12R1.54 CC(O)CNC(=O)c1ccco1 WXVL_AK0052SC0049 [0,0,0,0,0,1|0,0,2]=3 125 B12R1.54 CC(O)CNC(=O)c1cccs1 WXVL_AK0052SC0051 [0,0,0,0,0,1|0,1,2]=4 126 B12R1.54 CC(O)CNC(=O)c1cccs1 WXVL_AK0052SC0051 [0,0,0,0,0,1|0,1,2]=4 127 B12R1.54 CC(O)CNC(=O)c1ccno1 WXVL_AK0052SC0080 [0,0,0,0,0,1|1,0,2]=4 128 B12R1.54 CC(O)CNC(=O)c1ccno1 WXVL_AK0052SC0080 [0,0,0,0,0,1|1,0,2]=4 129 B12R1.54 CC(O)CNC(=O)c1cnco1 WXVL_AK0052SC0018 [0,0,0,0,0,1|1,0,2]=4 130 B12R1.54 CC(O)CNC(=O)c1cnco1 WXVL_AK0052SC0018 [0,0,0,0,0,1|1,0,2]=4 131 B12R1.54 C[C@H](O)CNC(=O)c1ccco1 WXVL_AK0113SC0049 [0,0,0,0,0,1|0,0,2]=3 132 B12R1.54 C[C@H](O)CNC(=O)c1ccco1 WXVL_AK0113SC0049 [0,0,0,0,0,1|0,0,2]=3 133 B12R1.54 C[C@H](O)CNC(=O)c1cccs1 WXVL_AK0113SC0051 [0,0,0,0,0,1|0,1,2]=4 134 B12R1.54 C[C@H](O)CNC(=O)c1cccs1 WXVL_AK0113SC0051 [0,0,0,0,0,1|0,1,2]=4 135 B12R1.54 C[C@H](O)CNC(=O)c1ccno1 WXVL_AK0113SC0080 [0,0,0,0,0,1|1,0,2]=4 136 B12R1.54 C[C@H](O)CNC(=O)c1ccno1 WXVL_AK0113SC0080 [0,0,0,0,0,1|1,0,2]=4 137 B12R1.54 C[C@H](O)CNC(=O)c1cnco1 WXVL_AK0113SC0018 [0,0,0,0,0,1|1,0,2]=4 138 B12R1.54 C[C@H](O)CNC(=O)c1cnco1 WXVL_AK0113SC0018 [0,0,0,0,0,1|1,0,2]=4 139 B12R1.54 NC(=O)CNC(=O)c1c[nH]cn1 WXVL_AK0147SC0074 [0,0,0,0,0,1|3,0,0]=4 140 B12R1.54 NC(=O)CNC(=O)c1c[nH]cn1 WXVL_AK0147SC0074 [0,0,0,0,0,1|3,0,0]=4 141 B12R1.54 NC(=O)CNC(=O)c1cc[nH]c1 WXVL_AK0147SC0013 [0,0,0,0,0,1|3,0,0]=4 142 B12R1.54 NC(=O)CNC(=O)c1cc[nH]c1 WXVL_AK0147SC0013 [0,0,0,0,0,1|3,0,0]=4 143 B12R1.54 NC(=O)CNC(=O)c1cc[nH]n1 WXVL_AK0147SC0003 [0,0,0,0,0,1|3,0,0]=4 144 B12R1.54 NC(=O)CNC(=O)c1cc[nH]n1 WXVL_AK0147SC0003 [0,0,0,0,0,1|3,0,0]=4 145 B12R1.54 NC(=O)CNC(=O)c1ccco1 WXVL_AK0147SC0049 [0,0,0,0,0,1|1,0,0]=2 146 B12R1.54 NC(=O)CNC(=O)c1ccco1 WXVL_AK0147SC0049 [0,0,0,0,0,1|1,0,0]=2 147 B12R1.54 NC(=O)CNC(=O)c1cccs1 WXVL_AK0084SA0161 [0,0,0,0,0,1|1,1,0]=3 148 B12R1.54 NC(=O)CNC(=O)c1cccs1 WXVL_AK0084SA0161 [0,0,0,0,0,1|1,1,0]=3 149 B12R1.54 NC(=O)CNC(=O)c1cccs1 WXVL_AK0147SC0051 [0,0,0,0,0,1|1,1,0]=3 150 B12R1.54 NC(=O)CNC(=O)c1cccs1 WXVL_AK0147SC0051 [0,0,0,0,0,1|1,1,0]=3 151 B12R1.54 NC(=O)CNC(=O)c1ccno1 WXVL_AK0147SC0080 [0,0,0,0,0,1|2,0,0]=3 152 B12R1.54 NC(=O)CNC(=O)c1ccno1 WXVL_AK0147SC0080 [0,0,0,0,0,1|2,0,0]=3 153 B12R1.54 NC(=O)CNC(=O)c1ccns1 WXVL_AK0147SC0027 [0,0,0,0,0,1|2,1,0]=4 154 B12R1.54 NC(=O)CNC(=O)c1ccns1 WXVL_AK0147SC0027 [0,0,0,0,0,1|2,1,0]=4 155 B12R1.54 NC(=O)CNC(=O)c1ccoc1 WXVL_AK0147SC0050 [0,0,0,0,0,1|3,0,0]=4 156 B12R1.54 NC(=O)CNC(=O)c1ccoc1 WXVL_AK0147SC0050 [0,0,0,0,0,1|3,0,0]=4 157 B12R1.54 NC(=O)CNC(=O)c1ccon1 WXVL_AK0147SC0116 [0,0,0,0,0,1|3,0,0]=4 158 B12R1.54 NC(=O)CNC(=O)c1ccon1 WXVL_AK0147SC0116 [0,0,0,0,0,1|3,0,0]=4 159 B12R1.54 NC(=O)CNC(=O)c1ccsc1 WXVL_AK0147SC0054 [0,0,0,0,0,1|3,0,0]=4 160 B12R1.54 NC(=O)CNC(=O)c1ccsc1 WXVL_AK0147SC0054 [0,0,0,0,0,1|3,0,0]=4 161 B12R1.54 NC(=O)CNC(=O)c1ccsn1 WXVL_AK0147SC0764 [0,0,0,0,0,1|3,0,0]=4 162 B12R1.54 NC(=O)CNC(=O)c1ccsn1 WXVL_AK0147SC0764 [0,0,0,0,0,1|3,0,0]=4 163 B12R1.54 NC(=O)CNC(=O)c1cnc[nH]1 WXVL_AK0147SC0247 [0,0,0,0,0,1|3,0,0]=4 164 B12R1.54 NC(=O)CNC(=O)c1cnc[nH]1 WXVL_AK0147SC0247 [0,0,0,0,0,1|3,0,0]=4 165 B12R1.54 NC(=O)CNC(=O)c1cnco1 WXVL_AK0147SC0018 [0,0,0,0,0,1|2,0,0]=3 166 B12R1.54 NC(=O)CNC(=O)c1cnco1 WXVL_AK0147SC0018 [0,0,0,0,0,1|2,0,0]=3 167 B12R1.54 NC(=O)CNC(=O)c1cncs1 WXVL_AK0147SC0113 [0,0,0,0,0,1|2,1,0]=4 168 B12R1.54 NC(=O)CNC(=O)c1cncs1 WXVL_AK0147SC0113 [0,0,0,0,0,1|2,1,0]=4 169 B12R1.54 NC(=O)CNC(=O)c1cocn1 WXVL_AK0147SC0118 [0,0,0,0,0,1|3,0,0]=4 170 B12R1.54 NC(=O)CNC(=O)c1cocn1 WXVL_AK0147SC0118 [0,0,0,0,0,1|3,0,0]=4 171 B12R1.54 NC(=O)CNC(=O)c1cscn1 WXVL_AK0147SC0092 [0,0,0,0,0,1|3,0,0]=4 172 B12R1.54 NC(=O)CNC(=O)c1cscn1 WXVL_AK0147SC0092 [0,0,0,0,0,1|3,0,0]=4 173 B12R1.54 NC(=O)CNC(=O)c1nccs1 WXVL_AK0147SC0110 [0,0,0,0,0,1|2,1,0]=4 174 B12R1.54 NC(=O)CNC(=O)c1nccs1 WXVL_AK0147SC0110 [0,0,0,0,0,1|2,1,0]=4 175 B12R1.54 O=C(NCC(F)F)c1ccco1 WXVL_AK0136SC0049 [0,0,0,0,0,1|2,0,1]=4 176 B12R1.54 O=C(NCC(F)F)c1ccco1 WXVL_AK0136SC0049 [0,0,0,0,0,1|2,0,1]=4 177 B12R1.260 CC(=CC(=O)Nc1ccno1)C WXVL_AF0588SB0342 [0,0,0,0,0,1|2,0,1]=4 178 B12R1.260 CC(=CC(=O)Nc1ccno1)C WXVL_AF0588SB0342 [0,0,0,0,0,1|2,0,1]=4 179 B12R1.260 CC(=CC(=O)Nc1ncco1)C WXVL_AF0235SB0342 [0,0,0,0,0,1|2,0,1]=4 180 B12R1.260 CC(=CC(=O)Nc1ncco1)C WXVL_AF0235SB0342 [0,0,0,0,0,1|2,0,1]=4 181 B12R1.260 CC(C)CC(=O)Nc1ccno1 WXVL_AF0588SB0063 [0,0,0,0,0,1|2,0,1]=4 182 B12R1.260 CC(C)CC(=O)Nc1ccno1 WXVL_AF0588SB0063 [0,0,0,0,0,1|2,0,1]=4 183 B12R1.260 CC(C)CC(=O)Nc1ncco1 WXVL_AF0235SB0063 [0,0,0,0,0,1|2,0,1]=4 184 B12R1.260 CC(C)CC(=O)Nc1ncco1 WXVL_AF0235SB0063 [0,0,0,0,0,1|2,0,1]=4 185 B12R1.260 CC(O)CC(=O)Nc1ccno1 WXVL_AF0588SB3643 [0,0,0,0,0,1|1,0,2]=4 186 B12R1.260 CC(O)CC(=O)Nc1ccno1 WXVL_AF0588SB3643 [0,0,0,0,0,1|1,0,2]=4 187 B12R1.260 CC(O)CC(=O)Nc1ncco1 WXVL_AF0235SB3643 [0,0,0,0,0,1|1,0,2]=4 188 B12R1.260 CC(O)CC(=O)Nc1ncco1 WXVL_AF0235SB3643 [0,0,0,0,0,1|1,0,2]=4 189 B12R1.260 CN(C)CC(=O)Nc1ccno1 WXVL_AF0588SB0085 [0,0,0,0,0,1|3,0,0]=4 190 B12R1.260 CN(C)CC(=O)Nc1ccno1 WXVL_AF0588SB0085 [0,0,0,0,0,1|3,0,0]=4 191 B12R1.260 CN(C)CC(=O)Nc1ncco1 WXVL_AF0235SB0085 [0,0,0,0,0,1|3,0,0]=4 192 B12R1.260 CN(C)CC(=O)Nc1ncco1 WXVL_AF0235SB0085 [0,0,0,0,0,1|3,0,0]=4 193 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [2,0,0,0,0,0|1,0,0]=3 194 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [2,0,0,0,0,0|1,0,0]=3 195 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [2,0,0,0,0,0|1,1,0]=4 196 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [2,0,0,0,0,0|1,1,0]=4 197 B9R1.11 CNC(=O)c1ccno1 WXVL_AK00442SC0080 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.11 CNC(=O)c1ccno1 WXVL_AK00442SC0080 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.11 CNC(=O)c1cnco1 WXVL_AK00442SC0018 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.11 CNC(=O)c1cnco1 WXVL_AK00442SC0018 [2,0,0,0,0,0|2,0,0]=4 201 B11R1.15 CCNC(=O)c1ccc(o1)C WXVL_AK00476SC0005 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.15 CCNC(=O)c1ccc(o1)C WXVL_AK00476SC0005 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.15 CCNC(=O)c1ccc(o1)Cl WXVL_AK00476SC0926 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.15 CCNC(=O)c1ccc(o1)Cl WXVL_AK00476SC0926 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.29 C=CCNC(=O)c1ccco1 WXVL_AK00561SC0049 [1,1,0,0,0,0|0,0,1]=3 206 B11R1.29 C=CCNC(=O)c1ccco1 WXVL_AK00561SC0049 [1,1,0,0,0,0|0,0,1]=3 207 B11R1.29 C=CCNC(=O)c1cccs1 WXVL_AK00561SC0051 [1,1,0,0,0,0|0,1,1]=4 208 B11R1.29 C=CCNC(=O)c1cccs1 WXVL_AK00561SC0051 [1,1,0,0,0,0|0,1,1]=4 209 B11R1.29 C=CCNC(=O)c1ccno1 WXVL_AK00561SC0080 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.29 C=CCNC(=O)c1ccno1 WXVL_AK00561SC0080 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.29 C=CCNC(=O)c1cnco1 WXVL_AK00561SC0018 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.29 C=CCNC(=O)c1cnco1 WXVL_AK00561SC0018 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.29 CCCNC(=O)c1ccco1 WXVL_AK00504SC0049 [1,1,0,0,0,0|0,0,1]=3 214 B11R1.29 CCCNC(=O)c1ccco1 WXVL_AK00504SC0049 [1,1,0,0,0,0|0,0,1]=3 215 B11R1.29 CCCNC(=O)c1cccs1 WXVL_AK00504SC0051 [1,1,0,0,0,0|0,1,1]=4 216 B11R1.29 CCCNC(=O)c1cccs1 WXVL_AK00504SC0051 [1,1,0,0,0,0|0,1,1]=4 217 B11R1.29 CCCNC(=O)c1ccno1 WXVL_AK00504SC0080 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.29 CCCNC(=O)c1ccno1 WXVL_AK00504SC0080 [1,1,0,0,0,0|1,0,1]=4 219 B11R1.29 CCCNC(=O)c1cnco1 WXVL_AK00504SC0018 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.29 CCCNC(=O)c1cnco1 WXVL_AK00504SC0018 [1,1,0,0,0,0|1,0,1]=4 221 B11R1.29 N#CCNC(=O)c1ccco1 WXVL_AK0683SC0049 [1,1,0,0,0,0|1,0,1]=4 222 B11R1.29 N#CCNC(=O)c1ccco1 WXVL_AK0683SC0049 [1,1,0,0,0,0|1,0,1]=4 223 B11R1.29 O=C(NCCF)c1ccco1 WXVL_AK00466SC0049 [1,1,0,0,0,0|1,0,1]=4 224 B11R1.29 O=C(NCCF)c1ccco1 WXVL_AK00466SC0049 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.31 CNC(=O)C(=O)c1ccco1 WXVL_AK00442SA0049 [1,1,0,0,0,0|1,0,1]=4 226 B11R1.31 CNC(=O)C(=O)c1ccco1 WXVL_AK00442SA0049 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.199 CCNC(=O)c1occc1Br WXVL_AK00476SC0241 [1,1,0,0,0,0|1,0,1]=4 228 B11R1.199 CCNC(=O)c1occc1Br WXVL_AK00476SC0241 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.199 CCNC(=O)c1occc1C WXVL_AK00476SC0230 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.199 CCNC(=O)c1occc1C WXVL_AK00476SC0230 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.25 CCC(=O)NCc1ccco1 WXVL_AK0010SB0064 [1,1,0,0,0,0|1,0,1]=4 232 B11R1.25 CCC(=O)NCc1ccco1 WXVL_AK0010SB0064 [1,1,0,0,0,0|1,0,1]=4 233 B11R1.25 CNC(=O)/C=C/c1ccco1 WXVL_AK00442SA0180 [1,1,0,0,0,0|0,0,1]=3 234 B11R1.25 CNC(=O)/C=C/c1ccco1 WXVL_AK00442SA0180 [1,1,0,0,0,0|0,0,1]=3 235 B11R1.25 CNC(=O)/C=C/c1cccs1 WXVL_AK00442SA0001 [1,1,0,0,0,0|0,1,1]=4 236 B11R1.25 CNC(=O)/C=C/c1cccs1 WXVL_AK00442SA0001 [1,1,0,0,0,0|0,1,1]=4 237 B11R1.25 CNC(=O)CCc1ccc[nH]1 WXVL_AK00442SA0009 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.25 CNC(=O)CCc1ccc[nH]1 WXVL_AK00442SA0009 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.25 CNC(=O)CCc1ccco1 WXVL_AK00442SA0167 [1,1,0,0,0,0|0,0,1]=3 240 B11R1.25 CNC(=O)CCc1ccco1 WXVL_AK00442SA0167 [1,1,0,0,0,0|0,0,1]=3 241 B11R1.25 CNC(=O)CCc1cccs1 WXVL_AK00442SA0303 [1,1,0,0,0,0|0,1,1]=4 242 B11R1.25 CNC(=O)CCc1cccs1 WXVL_AK00442SA0303 [1,1,0,0,0,0|0,1,1]=4 243 B11R1.25 O=C(CO)NCc1ccco1 WXVL_AK0010SB2706 [1,1,0,0,0,0|1,0,1]=4 244 B11R1.25 O=C(CO)NCc1ccco1 WXVL_AK0010SB2706 [1,1,0,0,0,0|1,0,1]=4 245 B11R1.35 CC(Cc1ccco1)C(=O)N WXVL_AK0084SA2637 [1,1,0,0,0,0|1,0,1]=4 246 B11R1.35 CC(Cc1ccco1)C(=O)N WXVL_AK0084SA2637 [1,1,0,0,0,0|1,0,1]=4 247 B11R1.89 CN(C)C(=O)c1occc1Br WXVL_AN0032SC0241 [0,1,0,0,1,0|2,0,0]=4 248 B11R1.89 CN(C)C(=O)c1occc1Br WXVL_AN0032SC0241 [0,1,0,0,1,0|2,0,0]=4 249 B11R1.89 Cc1ccoc1C(=O)N(C)C WXVL_AN0032SC0230 [0,1,0,0,1,0|2,0,0]=4 250 B11R1.89 Cc1ccoc1C(=O)N(C)C WXVL_AN0032SC0230 [0,1,0,0,1,0|2,0,0]=4 251 B11R1.89 Cn1cccc1C(=O)C(=O)N WXVL_AK0084SA2858 [0,1,0,0,1,0|2,0,0]=4 252 B11R1.89 Cn1cccc1C(=O)C(=O)N WXVL_AK0084SA2858 [0,1,0,0,1,0|2,0,0]=4 253 B11R1.314 CN(C)C(=O)c1ccc(o1)Cl WXVL_AN0032SC0926 [0,1,0,0,1,0|2,0,0]=4 254 B11R1.314 CN(C)C(=O)c1ccc(o1)Cl WXVL_AN0032SC0926 [0,1,0,0,1,0|2,0,0]=4 255 B11R1.314 Cc1ccc(o1)C(=O)N(C)C WXVL_AN0032SC0005 [0,1,0,0,1,0|2,0,0]=4 256 B11R1.314 Cc1ccc(o1)C(=O)N(C)C WXVL_AN0032SC0005 [0,1,0,0,1,0|2,0,0]=4 257 B13R1.129 C=C(C)CNC(=O)c1cc(c[nH]1)Br WXVL_AK0761SC0644 [0,1,0,0,0,1|2,0,0]=4 258 B13R1.129 C=C(C)CNC(=O)c1cc(c[nH]1)Br WXVL_AK0761SC0644 [0,1,0,0,0,1|2,0,0]=4 259 B13R1.129 C=C(C)CNC(=O)c1cc(c[nH]1)C WXVL_AK0761SC0830 [0,1,0,0,0,1|2,0,0]=4 260 B13R1.129 C=C(C)CNC(=O)c1cc(c[nH]1)C WXVL_AK0761SC0830 [0,1,0,0,0,1|2,0,0]=4 261 B13R1.129 C=C(C)CNC(=O)c1cc(c[nH]1)F WXVL_AK0761SC0334 [0,1,0,0,0,1|2,0,0]=4 262 B13R1.129 C=C(C)CNC(=O)c1cc(c[nH]1)F WXVL_AK0761SC0334 [0,1,0,0,0,1|2,0,0]=4 263 B13R1.129 C=C(C)CNC(=O)c1cc(cs1)Br WXVL_AK0761SC0188 [0,1,0,0,0,1|1,1,0]=4 264 B13R1.129 C=C(C)CNC(=O)c1cc(cs1)Br WXVL_AK0761SC0188 [0,1,0,0,0,1|1,1,0]=4 265 B13R1.129 C=C(C)CNC(=O)c1cc(cs1)C WXVL_AK0761SC0004 [0,1,0,0,0,1|1,1,0]=4 266 B13R1.129 C=C(C)CNC(=O)c1cc(cs1)C WXVL_AK0761SC0004 [0,1,0,0,0,1|1,1,0]=4 267 B13R1.129 C=C(C)CNC(=O)c1cc(no1)C WXVL_AK0761SC0089 [0,1,0,0,0,1|2,0,0]=4 268 B13R1.129 C=C(C)CNC(=O)c1cc(no1)C WXVL_AK0761SC0089 [0,1,0,0,0,1|2,0,0]=4 269 B13R1.129 C=C(C)CNC(=O)c1cc(no1)O WXVL_AK0761SC0522 [0,1,0,0,0,1|2,0,0]=4 270 B13R1.129 C=C(C)CNC(=O)c1cc(no1)O WXVL_AK0761SC0522 [0,1,0,0,0,1|2,0,0]=4 271 B13R1.129 C=C(C)CNC(=O)c1ccc(o1)C WXVL_AK0761SC0005 [0,1,0,0,0,1|1,0,0]=3 272 B13R1.129 C=C(C)CNC(=O)c1ccc(o1)C WXVL_AK0761SC0005 [0,1,0,0,0,1|1,0,0]=3 273 B13R1.129 C=C(C)CNC(=O)c1ccc(o1)Cl WXVL_AK0761SC0926 [0,1,0,0,0,1|1,0,0]=3 274 B13R1.129 C=C(C)CNC(=O)c1ccc(o1)Cl WXVL_AK0761SC0926 [0,1,0,0,0,1|1,0,0]=3 275 B13R1.129 C=C(C)CNC(=O)c1ccc(s1)Br WXVL_AK0761SC0359 [0,1,0,0,0,1|1,1,0]=4 276 B13R1.129 C=C(C)CNC(=O)c1ccc(s1)Br WXVL_AK0761SC0359 [0,1,0,0,0,1|1,1,0]=4 277 B13R1.129 C=C(C)CNC(=O)c1ccc(s1)C WXVL_AK0761SC0053 [0,1,0,0,0,1|1,1,0]=4 278 B13R1.129 C=C(C)CNC(=O)c1ccc(s1)C WXVL_AK0761SC0053 [0,1,0,0,0,1|1,1,0]=4 279 B13R1.129 C=C(C)CNC(=O)c1ccc(s1)Cl WXVL_AK0761SC0067 [0,1,0,0,0,1|1,1,0]=4 280 B13R1.129 C=C(C)CNC(=O)c1ccc(s1)Cl WXVL_AK0761SC0067 [0,1,0,0,0,1|1,1,0]=4 281 B13R1.129 C=C(C)CNC(=O)c1cnc(o1)Br WXVL_AK0761SC0815 [0,1,0,0,0,1|2,0,0]=4 282 B13R1.129 C=C(C)CNC(=O)c1cnc(o1)Br WXVL_AK0761SC0815 [0,1,0,0,0,1|2,0,0]=4 283 B13R1.129 CC(C)CNC(=O)c1ccc(o1)Cl WXVL_AK00544SC0926 [0,1,0,0,0,1|1,0,1]=4 284 B13R1.129 CC(C)CNC(=O)c1ccc(o1)Cl WXVL_AK00544SC0926 [0,1,0,0,0,1|1,0,1]=4 285 B13R1.129 CC(O)CNC(=O)c1ccc(o1)Cl WXVL_AK0052SC0926 [0,1,0,0,0,1|0,0,2]=4 286 B13R1.129 CC(O)CNC(=O)c1ccc(o1)Cl WXVL_AK0052SC0926 [0,1,0,0,0,1|0,0,2]=4 287 B13R1.129 C[C@H](O)CNC(=O)c1ccc(o1)Cl WXVL_AK0113SC0926 [0,1,0,0,0,1|0,0,2]=4 288 B13R1.129 C[C@H](O)CNC(=O)c1ccc(o1)Cl WXVL_AK0113SC0926 [0,1,0,0,0,1|0,0,2]=4 289 B13R1.129 Cc1c[nH]c(c1)C(=O)NCC(=O)N WXVL_AK0147SC0830 [0,1,0,0,0,1|2,0,0]=4 290 B13R1.129 Cc1c[nH]c(c1)C(=O)NCC(=O)N WXVL_AK0147SC0830 [0,1,0,0,0,1|2,0,0]=4 291 B13R1.129 Cc1cc(on1)C(=O)NCC(=O)N WXVL_AK0147SC0089 [0,1,0,0,0,1|2,0,0]=4 292 B13R1.129 Cc1cc(on1)C(=O)NCC(=O)N WXVL_AK0147SC0089 [0,1,0,0,0,1|2,0,0]=4 293 B13R1.129 Cc1ccc(o1)C(=O)NCC(=O)N WXVL_AK0147SC0005 [0,1,0,0,0,1|1,0,0]=3 294 B13R1.129 Cc1ccc(o1)C(=O)NCC(=O)N WXVL_AK0147SC0005 [0,1,0,0,0,1|1,0,0]=3 295 B13R1.129 Cc1ccc(o1)C(=O)NCC(C)C WXVL_AK00544SC0005 [0,1,0,0,0,1|1,0,1]=4 296 B13R1.129 Cc1ccc(o1)C(=O)NCC(C)C WXVL_AK00544SC0005 [0,1,0,0,0,1|1,0,1]=4 297 B13R1.129 Cc1ccc(o1)C(=O)NCC(C)O WXVL_AK0052SC0005 [0,1,0,0,0,1|0,0,2]=4 298 B13R1.129 Cc1ccc(o1)C(=O)NCC(C)O WXVL_AK0052SC0005 [0,1,0,0,0,1|0,0,2]=4 299 B13R1.129 Cc1ccc(o1)C(=O)NC[C@H](C)O WXVL_AK0113SC0005 [0,1,0,0,0,1|0,0,2]=4 300 B13R1.129 Cc1ccc(o1)C(=O)NC[C@H](C)O WXVL_AK0113SC0005 [0,1,0,0,0,1|0,0,2]=4 301 B13R1.129 Cc1ccc(s1)C(=O)NCC(=O)N WXVL_AK0147SC0053 [0,1,0,0,0,1|1,1,0]=4 302 B13R1.129 Cc1ccc(s1)C(=O)NCC(=O)N WXVL_AK0147SC0053 [0,1,0,0,0,1|1,1,0]=4 303 B13R1.129 Cc1csc(c1)C(=O)NCC(=O)N WXVL_AK0147SC0004 [0,1,0,0,0,1|1,1,0]=4 304 B13R1.129 Cc1csc(c1)C(=O)NCC(=O)N WXVL_AK0147SC0004 [0,1,0,0,0,1|1,1,0]=4 305 B13R1.129 NC(=O)CNC(=O)c1cc(c[nH]1)Br WXVL_AK0147SC0644 [0,1,0,0,0,1|2,0,0]=4 306 B13R1.129 NC(=O)CNC(=O)c1cc(c[nH]1)Br WXVL_AK0147SC0644 [0,1,0,0,0,1|2,0,0]=4 307 B13R1.129 NC(=O)CNC(=O)c1cc(c[nH]1)F WXVL_AK0147SC0334 [0,1,0,0,0,1|2,0,0]=4 308 B13R1.129 NC(=O)CNC(=O)c1cc(c[nH]1)F WXVL_AK0147SC0334 [0,1,0,0,0,1|2,0,0]=4 309 B13R1.129 NC(=O)CNC(=O)c1cc(cs1)Br WXVL_AK0147SC0188 [0,1,0,0,0,1|1,1,0]=4 310 B13R1.129 NC(=O)CNC(=O)c1cc(cs1)Br WXVL_AK0147SC0188 [0,1,0,0,0,1|1,1,0]=4 311 B13R1.129 NC(=O)CNC(=O)c1cc(no1)O WXVL_AK0147SC0522 [0,1,0,0,0,1|2,0,0]=4 312 B13R1.129 NC(=O)CNC(=O)c1cc(no1)O WXVL_AK0147SC0522 [0,1,0,0,0,1|2,0,0]=4 313 B13R1.129 NC(=O)CNC(=O)c1ccc(o1)Cl WXVL_AK0147SC0926 [0,1,0,0,0,1|1,0,0]=3 314 B13R1.129 NC(=O)CNC(=O)c1ccc(o1)Cl WXVL_AK0147SC0926 [0,1,0,0,0,1|1,0,0]=3 315 B13R1.129 NC(=O)CNC(=O)c1ccc(s1)Br WXVL_AK0147SC0359 [0,1,0,0,0,1|1,1,0]=4 316 B13R1.129 NC(=O)CNC(=O)c1ccc(s1)Br WXVL_AK0147SC0359 [0,1,0,0,0,1|1,1,0]=4 317 B13R1.129 NC(=O)CNC(=O)c1ccc(s1)Cl WXVL_AK0147SC0067 [0,1,0,0,0,1|1,1,0]=4 318 B13R1.129 NC(=O)CNC(=O)c1ccc(s1)Cl WXVL_AK0147SC0067 [0,1,0,0,0,1|1,1,0]=4 319 B13R1.129 NC(=O)CNC(=O)c1cnc(o1)Br WXVL_AK0147SC0815 [0,1,0,0,0,1|2,0,0]=4 320 B13R1.129 NC(=O)CNC(=O)c1cnc(o1)Br WXVL_AK0147SC0815 [0,1,0,0,0,1|2,0,0]=4 321 B13R1.162 CNC(=O)CNC(=O)c1c[nH]cn1 WXVL_AK1222SC0074 [0,1,0,0,0,1|2,0,0]=4 322 B13R1.162 CNC(=O)CNC(=O)c1c[nH]cn1 WXVL_AK1222SC0074 [0,1,0,0,0,1|2,0,0]=4 323 B13R1.162 CNC(=O)CNC(=O)c1cc[nH]c1 WXVL_AK1222SC0013 [0,1,0,0,0,1|2,0,0]=4 324 B13R1.162 CNC(=O)CNC(=O)c1cc[nH]c1 WXVL_AK1222SC0013 [0,1,0,0,0,1|2,0,0]=4 325 B13R1.162 CNC(=O)CNC(=O)c1cc[nH]n1 WXVL_AK1222SC0003 [0,1,0,0,0,1|2,0,0]=4 326 B13R1.162 CNC(=O)CNC(=O)c1cc[nH]n1 WXVL_AK1222SC0003 [0,1,0,0,0,1|2,0,0]=4 327 B13R1.162 CNC(=O)CNC(=O)c1ccco1 WXVL_AK1222SC0049 [0,1,0,0,0,1|0,0,0]=2 328 B13R1.162 CNC(=O)CNC(=O)c1ccco1 WXVL_AK1222SC0049 [0,1,0,0,0,1|0,0,0]=2 329 B13R1.162 CNC(=O)CNC(=O)c1cccs1 WXVL_AK00442SA0161 [0,1,0,0,0,1|0,1,0]=3 330 B13R1.162 CNC(=O)CNC(=O)c1cccs1 WXVL_AK00442SA0161 [0,1,0,0,0,1|0,1,0]=3 331 B13R1.162 CNC(=O)CNC(=O)c1cccs1 WXVL_AK1222SC0051 [0,1,0,0,0,1|0,1,0]=3 332 B13R1.162 CNC(=O)CNC(=O)c1cccs1 WXVL_AK1222SC0051 [0,1,0,0,0,1|0,1,0]=3 333 B13R1.162 CNC(=O)CNC(=O)c1ccno1 WXVL_AK1222SC0080 [0,1,0,0,0,1|1,0,0]=3 334 B13R1.162 CNC(=O)CNC(=O)c1ccno1 WXVL_AK1222SC0080 [0,1,0,0,0,1|1,0,0]=3 335 B13R1.162 CNC(=O)CNC(=O)c1ccns1 WXVL_AK1222SC0027 [0,1,0,0,0,1|1,1,0]=4 336 B13R1.162 CNC(=O)CNC(=O)c1ccns1 WXVL_AK1222SC0027 [0,1,0,0,0,1|1,1,0]=4 337 B13R1.162 CNC(=O)CNC(=O)c1ccoc1 WXVL_AK1222SC0050 [0,1,0,0,0,1|2,0,0]=4 338 B13R1.162 CNC(=O)CNC(=O)c1ccoc1 WXVL_AK1222SC0050 [0,1,0,0,0,1|2,0,0]=4 339 B13R1.162 CNC(=O)CNC(=O)c1ccon1 WXVL_AK1222SC0116 [0,1,0,0,0,1|2,0,0]=4 340 B13R1.162 CNC(=O)CNC(=O)c1ccon1 WXVL_AK1222SC0116 [0,1,0,0,0,1|2,0,0]=4 341 B13R1.162 CNC(=O)CNC(=O)c1ccsc1 WXVL_AK1222SC0054 [0,1,0,0,0,1|2,0,0]=4 342 B13R1.162 CNC(=O)CNC(=O)c1ccsc1 WXVL_AK1222SC0054 [0,1,0,0,0,1|2,0,0]=4 343 B13R1.162 CNC(=O)CNC(=O)c1ccsn1 WXVL_AK1222SC0764 [0,1,0,0,0,1|2,0,0]=4 344 B13R1.162 CNC(=O)CNC(=O)c1ccsn1 WXVL_AK1222SC0764 [0,1,0,0,0,1|2,0,0]=4 345 B13R1.162 CNC(=O)CNC(=O)c1cnc[nH]1 WXVL_AK1222SC0247 [0,1,0,0,0,1|2,0,0]=4 346 B13R1.162 CNC(=O)CNC(=O)c1cnc[nH]1 WXVL_AK1222SC0247 [0,1,0,0,0,1|2,0,0]=4 347 B13R1.162 CNC(=O)CNC(=O)c1cnco1 WXVL_AK1222SC0018 [0,1,0,0,0,1|1,0,0]=3 348 B13R1.162 CNC(=O)CNC(=O)c1cnco1 WXVL_AK1222SC0018 [0,1,0,0,0,1|1,0,0]=3 349 B13R1.162 CNC(=O)CNC(=O)c1cncs1 WXVL_AK1222SC0113 [0,1,0,0,0,1|1,1,0]=4 350 B13R1.162 CNC(=O)CNC(=O)c1cncs1 WXVL_AK1222SC0113 [0,1,0,0,0,1|1,1,0]=4 351 B13R1.162 CNC(=O)CNC(=O)c1cocn1 WXVL_AK1222SC0118 [0,1,0,0,0,1|2,0,0]=4 352 B13R1.162 CNC(=O)CNC(=O)c1cocn1 WXVL_AK1222SC0118 [0,1,0,0,0,1|2,0,0]=4 353 B13R1.162 CNC(=O)CNC(=O)c1cscn1 WXVL_AK1222SC0092 [0,1,0,0,0,1|2,0,0]=4 354 B13R1.162 CNC(=O)CNC(=O)c1cscn1 WXVL_AK1222SC0092 [0,1,0,0,0,1|2,0,0]=4 355 B13R1.162 CNC(=O)CNC(=O)c1nccs1 WXVL_AK1222SC0110 [0,1,0,0,0,1|1,1,0]=4 356 B13R1.162 CNC(=O)CNC(=O)c1nccs1 WXVL_AK1222SC0110 [0,1,0,0,0,1|1,1,0]=4 357 B13R1.162 CO[C@H](C)CNC(=O)c1ccco1 WXVL_AK00704SC0049 [0,1,0,0,0,1|0,0,2]=4 358 B13R1.162 CO[C@H](C)CNC(=O)c1ccco1 WXVL_AK00704SC0049 [0,1,0,0,0,1|0,0,2]=4 359 B13R1.162 O=C(NC[C@@H](F)CO)c1ccco1 WXVL_AK00590SC0049 [0,1,0,0,0,1|1,0,1]=4 360 B13R1.162 O=C(NC[C@@H](F)CO)c1ccco1 WXVL_AK00590SC0049 [0,1,0,0,0,1|1,0,1]=4 361 B13R1.162 O=C(NC[C@H](O)CO)c1ccco1 WXVL_AK00483SC0049 [0,1,0,0,0,1|0,0,2]=4 362 B13R1.162 O=C(NC[C@H](O)CO)c1ccco1 WXVL_AK00483SC0049 [0,1,0,0,0,1|0,0,2]=4 363 B13R1.168 C=C(C)CNC(=O)c1[nH]ccc1C WXVL_AK0761SC1315 [0,1,0,0,0,1|2,0,0]=4 364 B13R1.168 C=C(C)CNC(=O)c1[nH]ccc1C WXVL_AK0761SC1315 [0,1,0,0,0,1|2,0,0]=4 365 B13R1.168 C=C(C)CNC(=O)c1occc1Br WXVL_AK0761SC0241 [0,1,0,0,0,1|1,0,0]=3 366 B13R1.168 C=C(C)CNC(=O)c1occc1Br WXVL_AK0761SC0241 [0,1,0,0,0,1|1,0,0]=3 367 B13R1.168 C=C(C)CNC(=O)c1occc1C WXVL_AK0761SC0230 [0,1,0,0,0,1|1,0,0]=3 368 B13R1.168 C=C(C)CNC(=O)c1occc1C WXVL_AK0761SC0230 [0,1,0,0,0,1|1,0,0]=3 369 B13R1.168 C=C(C)CNC(=O)c1ocnc1C WXVL_AK0761SC0103 [0,1,0,0,0,1|2,0,0]=4 370 B13R1.168 C=C(C)CNC(=O)c1ocnc1C WXVL_AK0761SC0103 [0,1,0,0,0,1|2,0,0]=4 371 B13R1.168 C=C(C)CNC(=O)c1oncc1C WXVL_AK0761SC0912 [0,1,0,0,0,1|2,0,0]=4 372 B13R1.168 C=C(C)CNC(=O)c1oncc1C WXVL_AK0761SC0912 [0,1,0,0,0,1|2,0,0]=4 373 B13R1.168 C=C(C)CNC(=O)c1sccc1Br WXVL_AK0761SC0364 [0,1,0,0,0,1|1,1,0]=4 374 B13R1.168 C=C(C)CNC(=O)c1sccc1Br WXVL_AK0761SC0364 [0,1,0,0,0,1|1,1,0]=4 375 B13R1.168 C=C(C)CNC(=O)c1sccc1C WXVL_AK0761SC0052 [0,1,0,0,0,1|1,1,0]=4 376 B13R1.168 C=C(C)CNC(=O)c1sccc1C WXVL_AK0761SC0052 [0,1,0,0,0,1|1,1,0]=4 377 B13R1.168 C=C(C)CNC(=O)c1sccc1Cl WXVL_AK0761SC0756 [0,1,0,0,0,1|1,1,0]=4 378 B13R1.168 C=C(C)CNC(=O)c1sccc1Cl WXVL_AK0761SC0756 [0,1,0,0,0,1|1,1,0]=4 379 B13R1.168 C=C(C)CNC(=O)c1sccc1F WXVL_AK0761SC0017 [0,1,0,0,0,1|1,1,0]=4 380 B13R1.168 C=C(C)CNC(=O)c1sccc1F WXVL_AK0761SC0017 [0,1,0,0,0,1|1,1,0]=4 381 B13R1.168 C=C(C)CNC(=O)c1sccc1I WXVL_AK0761SC1579 [0,1,0,0,0,1|1,1,0]=4 382 B13R1.168 C=C(C)CNC(=O)c1sccc1I WXVL_AK0761SC1579 [0,1,0,0,0,1|1,1,0]=4 383 B13R1.168 CC(C)CNC(=O)c1occc1Br WXVL_AK00544SC0241 [0,1,0,0,0,1|1,0,1]=4 384 B13R1.168 CC(C)CNC(=O)c1occc1Br WXVL_AK00544SC0241 [0,1,0,0,0,1|1,0,1]=4 385 B13R1.168 CC(O)CNC(=O)c1occc1Br WXVL_AK0052SC0241 [0,1,0,0,0,1|0,0,2]=4 386 B13R1.168 CC(O)CNC(=O)c1occc1Br WXVL_AK0052SC0241 [0,1,0,0,0,1|0,0,2]=4 387 B13R1.168 C[C@H](O)CNC(=O)c1occc1Br WXVL_AK0113SC0241 [0,1,0,0,0,1|0,0,2]=4 388 B13R1.168 C[C@H](O)CNC(=O)c1occc1Br WXVL_AK0113SC0241 [0,1,0,0,0,1|0,0,2]=4 389 B13R1.168 Cc1cc[nH]c1C(=O)NCC(=O)N WXVL_AK0147SC1315 [0,1,0,0,0,1|2,0,0]=4 390 B13R1.168 Cc1cc[nH]c1C(=O)NCC(=O)N WXVL_AK0147SC1315 [0,1,0,0,0,1|2,0,0]=4 391 B13R1.168 Cc1ccoc1C(=O)NCC(=O)N WXVL_AK0147SC0230 [0,1,0,0,0,1|1,0,0]=3 392 B13R1.168 Cc1ccoc1C(=O)NCC(=O)N WXVL_AK0147SC0230 [0,1,0,0,0,1|1,0,0]=3 393 B13R1.168 Cc1ccoc1C(=O)NCC(C)C WXVL_AK00544SC0230 [0,1,0,0,0,1|1,0,1]=4 394 B13R1.168 Cc1ccoc1C(=O)NCC(C)C WXVL_AK00544SC0230 [0,1,0,0,0,1|1,0,1]=4 395 B13R1.168 Cc1ccoc1C(=O)NCC(C)O WXVL_AK0052SC0230 [0,1,0,0,0,1|0,0,2]=4 396 B13R1.168 Cc1ccoc1C(=O)NCC(C)O WXVL_AK0052SC0230 [0,1,0,0,0,1|0,0,2]=4 397 B13R1.168 Cc1ccoc1C(=O)NC[C@H](C)O WXVL_AK0113SC0230 [0,1,0,0,0,1|0,0,2]=4 398 B13R1.168 Cc1ccoc1C(=O)NC[C@H](C)O WXVL_AK0113SC0230 [0,1,0,0,0,1|0,0,2]=4 399 B13R1.168 Cc1ccsc1C(=O)NCC(=O)N WXVL_AK0147SC0052 [0,1,0,0,0,1|1,1,0]=4 400 B13R1.168 Cc1ccsc1C(=O)NCC(=O)N WXVL_AK0147SC0052 [0,1,0,0,0,1|1,1,0]=4 401 B13R1.168 Cc1cnoc1C(=O)NCC(=O)N WXVL_AK0147SC0912 [0,1,0,0,0,1|2,0,0]=4 402 B13R1.168 Cc1cnoc1C(=O)NCC(=O)N WXVL_AK0147SC0912 [0,1,0,0,0,1|2,0,0]=4 403 B13R1.168 Cc1ncoc1C(=O)NCC(=O)N WXVL_AK0147SC0103 [0,1,0,0,0,1|2,0,0]=4 404 B13R1.168 Cc1ncoc1C(=O)NCC(=O)N WXVL_AK0147SC0103 [0,1,0,0,0,1|2,0,0]=4 405 B13R1.168 NC(=O)CNC(=O)c1occc1Br WXVL_AK0147SC0241 [0,1,0,0,0,1|1,0,0]=3 406 B13R1.168 NC(=O)CNC(=O)c1occc1Br WXVL_AK0147SC0241 [0,1,0,0,0,1|1,0,0]=3 407 B13R1.168 NC(=O)CNC(=O)c1sccc1Br WXVL_AK0147SC0364 [0,1,0,0,0,1|1,1,0]=4 408 B13R1.168 NC(=O)CNC(=O)c1sccc1Br WXVL_AK0147SC0364 [0,1,0,0,0,1|1,1,0]=4 409 B13R1.168 NC(=O)CNC(=O)c1sccc1Cl WXVL_AK0147SC0756 [0,1,0,0,0,1|1,1,0]=4 410 B13R1.168 NC(=O)CNC(=O)c1sccc1Cl WXVL_AK0147SC0756 [0,1,0,0,0,1|1,1,0]=4 411 B13R1.168 NC(=O)CNC(=O)c1sccc1F WXVL_AK0147SC0017 [0,1,0,0,0,1|1,1,0]=4 412 B13R1.168 NC(=O)CNC(=O)c1sccc1F WXVL_AK0147SC0017 [0,1,0,0,0,1|1,1,0]=4 413 B13R1.168 NC(=O)CNC(=O)c1sccc1I WXVL_AK0147SC1579 [0,1,0,0,0,1|1,1,0]=4 414 B13R1.168 NC(=O)CNC(=O)c1sccc1I WXVL_AK0147SC1579 [0,1,0,0,0,1|1,1,0]=4 415 B13R1.339 C[C@@H](NC(=O)c1ccco1)C(=O)N WXVL_AK6986SC0049 [0,1,0,0,0,1|1,0,0]=3 416 B13R1.339 C[C@@H](NC(=O)c1ccco1)C(=O)N WXVL_AK6986SC0049 [0,1,0,0,0,1|1,0,0]=3 417 B13R1.339 C[C@@H](NC(=O)c1cccs1)C(=O)N WXVL_AK6986SC0051 [0,1,0,0,0,1|1,1,0]=4 418 B13R1.339 C[C@@H](NC(=O)c1cccs1)C(=O)N WXVL_AK6986SC0051 [0,1,0,0,0,1|1,1,0]=4 419 B13R1.339 C[C@@H](NC(=O)c1ccno1)C(=O)N WXVL_AK6986SC0080 [0,1,0,0,0,1|2,0,0]=4 420 B13R1.339 C[C@@H](NC(=O)c1ccno1)C(=O)N WXVL_AK6986SC0080 [0,1,0,0,0,1|2,0,0]=4 421 B13R1.339 C[C@@H](NC(=O)c1cnco1)C(=O)N WXVL_AK6986SC0018 [0,1,0,0,0,1|2,0,0]=4 422 B13R1.339 C[C@@H](NC(=O)c1cnco1)C(=O)N WXVL_AK6986SC0018 [0,1,0,0,0,1|2,0,0]=4 423 B13R1.2780 CC(C)(C)CNC(=O)c1ccco1 WXVL_AK00655SC0049 [0,1,0,0,0,1|1,0,1]=4 424 B13R1.2780 CC(C)(C)CNC(=O)c1ccco1 WXVL_AK00655SC0049 [0,1,0,0,0,1|1,0,1]=4 425 B13R1.2780 CC(C)(F)CNC(=O)c1ccco1 WXVL_AK00660SC0049 [0,1,0,0,0,1|1,0,1]=4 426 B13R1.2780 CC(C)(F)CNC(=O)c1ccco1 WXVL_AK00660SC0049 [0,1,0,0,0,1|1,0,1]=4 427 B13R1.2780 CC(C)(O)CNC(=O)c1ccco1 WXVL_AK0490SC0049 [0,1,0,0,0,1|0,0,2]=4 428 B13R1.2780 CC(C)(O)CNC(=O)c1ccco1 WXVL_AK0490SC0049 [0,1,0,0,0,1|0,0,2]=4 429 B13R1.2780 CC(F)(F)CNC(=O)c1ccco1 WXVL_AK0308SC0049 [0,1,0,0,0,1|1,0,1]=4 430 B13R1.2780 CC(F)(F)CNC(=O)c1ccco1 WXVL_AK0308SC0049 [0,1,0,0,0,1|1,0,1]=4 431 B13R1.11 CNC(=O)NC(=O)c1ccccc1 WXVL_AK00442YV0027 [0,1,0,0,0,1|2,0,0]=4 432 B13R1.11 CNC(=O)NC(=O)c1ccccc1 WXVL_AK00442YV0027 [0,1,0,0,0,1|2,0,0]=4 433 B13R1.545 COC(=O)CC(=O)Nc1cc[nH]n1 WXVL_AF2373SB2790 [0,1,0,0,0,1|2,0,0]=4 434 B13R1.545 COC(=O)CC(=O)Nc1cc[nH]n1 WXVL_AF2373SB2790 [0,1,0,0,0,1|2,0,0]=4 435 B13R1.545 COC(=O)CC(=O)Nc1ccn[nH]1 WXVL_AF0122SB2790 [0,1,0,0,0,1|2,0,0]=4 436 B13R1.545 COC(=O)CC(=O)Nc1ccn[nH]1 WXVL_AF0122SB2790 [0,1,0,0,0,1|2,0,0]=4 437 B13R1.545 COC(=O)CC(=O)Nc1ccno1 WXVL_AF0588SB2790 [0,1,0,0,0,1|1,0,0]=3 438 B13R1.545 COC(=O)CC(=O)Nc1ccno1 WXVL_AF0588SB2790 [0,1,0,0,0,1|1,0,0]=3 439 B13R1.545 COC(=O)CC(=O)Nc1ccns1 WXVL_AF00325SB2790 [0,1,0,0,0,1|1,1,0]=4 440 B13R1.545 COC(=O)CC(=O)Nc1ccns1 WXVL_AF00325SB2790 [0,1,0,0,0,1|1,1,0]=4 441 B13R1.545 COC(=O)CC(=O)Nc1ccon1 WXVL_AF0028SB2790 [0,1,0,0,0,1|2,0,0]=4 442 B13R1.545 COC(=O)CC(=O)Nc1ccon1 WXVL_AF0028SB2790 [0,1,0,0,0,1|2,0,0]=4 443 B13R1.545 COC(=O)CC(=O)Nc1ccsc1 WXVL_AF00105SB2790 [0,1,0,0,0,1|2,0,0]=4 444 B13R1.545 COC(=O)CC(=O)Nc1ccsc1 WXVL_AF00105SB2790 [0,1,0,0,0,1|2,0,0]=4 445 B13R1.545 COC(=O)CC(=O)Nc1cnc[nH]1 WXVL_AF00103SB2790 [0,1,0,0,0,1|2,0,0]=4 446 B13R1.545 COC(=O)CC(=O)Nc1cnc[nH]1 WXVL_AF00103SB2790 [0,1,0,0,0,1|2,0,0]=4 447 B13R1.545 COC(=O)CC(=O)Nc1cncs1 WXVL_AF0724SB2790 [0,1,0,0,0,1|1,1,0]=4 448 B13R1.545 COC(=O)CC(=O)Nc1cncs1 WXVL_AF0724SB2790 [0,1,0,0,0,1|1,1,0]=4 449 B13R1.545 COC(=O)CC(=O)Nc1cscn1 WXVL_AF00216SB2790 [0,1,0,0,0,1|2,0,0]=4 450 B13R1.545 COC(=O)CC(=O)Nc1cscn1 WXVL_AF00216SB2790 [0,1,0,0,0,1|2,0,0]=4 451 B13R1.545 COC(=O)CC(=O)Nc1ncc[nH]1 WXVL_AF0297SB2790 [0,1,0,0,0,1|2,0,0]=4 452 B13R1.545 COC(=O)CC(=O)Nc1ncc[nH]1 WXVL_AF0297SB2790 [0,1,0,0,0,1|2,0,0]=4 453 B13R1.545 COC(=O)CC(=O)Nc1ncco1 WXVL_AF0235SB2790 [0,1,0,0,0,1|1,0,0]=3 454 B13R1.545 COC(=O)CC(=O)Nc1ncco1 WXVL_AF0235SB2790 [0,1,0,0,0,1|1,0,0]=3 455 B13R1.545 COC(=O)CC(=O)Nc1nccs1 WXVL_AF0003SB2790 [0,1,0,0,0,1|1,1,0]=4 456 B13R1.545 COC(=O)CC(=O)Nc1nccs1 WXVL_AF0003SB2790 [0,1,0,0,0,1|1,1,0]=4 457 B13R1.545 COC(=O)CC(=O)Nc1nnco1 WXVL_AF0087SB2790 [0,1,0,0,0,1|2,0,0]=4 458 B13R1.545 COC(=O)CC(=O)Nc1nnco1 WXVL_AF0087SB2790 [0,1,0,0,0,1|2,0,0]=4 459 B13R1.1116 CS(=O)(=O)CC(=O)Nc1ccno1 WXVL_AF0588SB0162 [0,1,0,0,0,1|2,0,0]=4 460 B13R1.1116 CS(=O)(=O)CC(=O)Nc1ccno1 WXVL_AF0588SB0162 [0,1,0,0,0,1|2,0,0]=4 461 B13R1.1116 CS(=O)(=O)CC(=O)Nc1ncco1 WXVL_AF0235SB0162 [0,1,0,0,0,1|2,0,0]=4 462 B13R1.1116 CS(=O)(=O)CC(=O)Nc1ncco1 WXVL_AF0235SB0162 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.157 CC(=O)Nc1cccc(c1)O WXVL_AG00200SB0150 [0,0,1,1,0,0|2,0,0]=4 464 B11R1.157 CC(=O)Nc1cccc(c1)O WXVL_AG00200SB0150 [0,0,1,1,0,0|2,0,0]=4 465 B11R1.157 CC(=O)Nc1cccc(n1)O WXVL_AF2469SB0150 [0,0,1,1,0,0|2,0,0]=4 466 B11R1.157 CC(=O)Nc1cccc(n1)O WXVL_AF2469SB0150 [0,0,1,1,0,0|2,0,0]=4 467 B11R1.157 NC(=O)Cc1cccc(c1)O WXVL_AK0084SB0104 [0,0,1,1,0,0|2,0,0]=4 468 B11R1.157 NC(=O)Cc1cccc(c1)O WXVL_AK0084SB0104 [0,0,1,1,0,0|2,0,0]=4 469 B11R1.86 CC(=O)Nc1ncccc1O WXVL_AF0347SB0150 [0,0,1,1,0,0|2,0,0]=4 470 B11R1.86 CC(=O)Nc1ncccc1O WXVL_AF0347SB0150 [0,0,1,1,0,0|2,0,0]=4 471 B11R1.86 NC(=O)Cc1ccccc1O WXVL_AK0084SB0400 [0,0,1,1,0,0|2,0,0]=4 472 B11R1.86 NC(=O)Cc1ccccc1O WXVL_AK0084SB0400 [0,0,1,1,0,0|2,0,0]=4 473 B13R2.233 CC1CN(C1)C(=O)c2ccco2 WXVL_AN0291SC0049 [0,0,0,1,0,1|1,0,1]=4 474 B13R2.233 CC1CN(C1)C(=O)c2ccco2 WXVL_AN0291SC0049 [0,0,0,1,0,1|1,0,1]=4 475 B13R2.233 O=C(c1ccco1)N2CC(C2)O WXVL_AN0284SC0049 [0,0,0,1,0,1|0,0,2]=4 476 B13R2.233 O=C(c1ccco1)N2CC(C2)O WXVL_AN0284SC0049 [0,0,0,1,0,1|0,0,2]=4 477 B9R1.13 CC(=O)Nc1ccno1 WXVL_AF0588SB0150 [1,0,0,0,1,0|2,0,0]=4 478 B9R1.13 CC(=O)Nc1ccno1 WXVL_AF0588SB0150 [1,0,0,0,1,0|2,0,0]=4 479 B9R1.13 CC(=O)Nc1ncco1 WXVL_AF0235SB0150 [1,0,0,0,1,0|2,0,0]=4 480 B9R1.13 CC(=O)Nc1ncco1 WXVL_AF0235SB0150 [1,0,0,0,1,0|2,0,0]=4 481 B9R1.13 NC(=O)Cc1cccs1 WXVL_AK0084SA0018 [1,0,0,0,1,0|1,1,0]=4 482 B9R1.13 NC(=O)Cc1cccs1 WXVL_AK0084SA0018 [1,0,0,0,1,0|1,1,0]=4 483 B11R0.46 C/C=C/C=C/C(=O)NCC(=O)N WXVL_AK0147SB0348 [0,0,1,0,0,1|2,0,0]=4 484 B11R0.46 C/C=C/C=C/C(=O)NCC(=O)N WXVL_AK0147SB0348 [0,0,1,0,0,1|2,0,0]=4 485 B11R0.46 C=C(C)CNC(=O)/C=C/C=C/C WXVL_AK0761SB0348 [0,0,1,0,0,1|2,0,0]=4 486 B11R0.46 C=C(C)CNC(=O)/C=C/C=C/C WXVL_AK0761SB0348 [0,0,1,0,0,1|2,0,0]=4 487 B11R1.30 C/C=C/C(=O)Nc1ccno1 WXVL_AF0588SB0340 [1,0,0,0,0,1|1,0,1]=4 488 B11R1.30 C/C=C/C(=O)Nc1ccno1 WXVL_AF0588SB0340 [1,0,0,0,0,1|1,0,1]=4 489 B11R1.30 C/C=C/C(=O)Nc1ncco1 WXVL_AF0235SB0340 [1,0,0,0,0,1|1,0,1]=4 490 B11R1.30 C/C=C/C(=O)Nc1ncco1 WXVL_AF0235SB0340 [1,0,0,0,0,1|1,0,1]=4 491 B11R1.30 C=CCC(=O)Nc1ccno1 WXVL_AF0588SB2732 [1,0,0,0,0,1|1,0,1]=4 492 B11R1.30 C=CCC(=O)Nc1ccno1 WXVL_AF0588SB2732 [1,0,0,0,0,1|1,0,1]=4 493 B11R1.30 C=CCC(=O)Nc1ncco1 WXVL_AF0235SB2732 [1,0,0,0,0,1|1,0,1]=4 494 B11R1.30 C=CCC(=O)Nc1ncco1 WXVL_AF0235SB2732 [1,0,0,0,0,1|1,0,1]=4 495 B11R1.30 CCCC(=O)Nc1ccno1 WXVL_AF0588SB0073 [1,0,0,0,0,1|1,0,1]=4 496 B11R1.30 CCCC(=O)Nc1ccno1 WXVL_AF0588SB0073 [1,0,0,0,0,1|1,0,1]=4 497 B11R1.30 CCCC(=O)Nc1ncco1 WXVL_AF0235SB0073 [1,0,0,0,0,1|1,0,1]=4 498 B11R1.30 CCCC(=O)Nc1ncco1 WXVL_AF0235SB0073 [1,0,0,0,0,1|1,0,1]=4 499 B11R1.30 COCC(=O)Nc1ccno1 WXVL_AF0588SB0090 [1,0,0,0,0,1|2,0,0]=4 500 B11R1.30 COCC(=O)Nc1ccno1 WXVL_AF0588SB0090 [1,0,0,0,0,1|2,0,0]=4 501 B11R1.30 COCC(=O)Nc1ncco1 WXVL_AF0235SB0090 [1,0,0,0,0,1|2,0,0]=4 502 B11R1.30 COCC(=O)Nc1ncco1 WXVL_AF0235SB0090 [1,0,0,0,0,1|2,0,0]=4 503 B11R1.30 CSCC(=O)Nc1ccno1 WXVL_AF0588SB1267 [1,0,0,0,0,1|2,0,0]=4 504 B11R1.30 CSCC(=O)Nc1ccno1 WXVL_AF0588SB1267 [1,0,0,0,0,1|2,0,0]=4 505 B11R1.30 CSCC(=O)Nc1ncco1 WXVL_AF0235SB1267 [1,0,0,0,0,1|2,0,0]=4 506 B11R1.30 CSCC(=O)Nc1ncco1 WXVL_AF0235SB1267 [1,0,0,0,0,1|2,0,0]=4 507 B11R1.172 CC(=O)NCCc1ccco1 WXVL_AK0989SB0150 [1,0,0,0,0,1|0,0,1]=3 508 B11R1.172 CC(=O)NCCc1ccco1 WXVL_AK0989SB0150 [1,0,0,0,0,1|0,0,1]=3 509 B11R1.172 CC(=O)NCCc1cccs1 WXVL_AK0098SB0150 [1,0,0,0,0,1|0,1,1]=4 510 B11R1.172 CC(=O)NCCc1cccs1 WXVL_AK0098SB0150 [1,0,0,0,0,1|0,1,1]=4 511 B11R1.36 NC(=O)C(=O)c1ccccc1 WXVL_AK0084SB0050 [0,0,0,0,1,1|2,0,0]=4 512 B11R1.36 NC(=O)C(=O)c1ccccc1 WXVL_AK0084SB0050 [0,0,0,0,1,1|2,0,0]=4 513 B13R1.45 C=C(C)CNC(=O)c1ccccc1 WXVL_AK0761SD0001 [0,0,0,0,0,2|2,0,0]=4 514 B13R1.45 C=C(C)CNC(=O)c1ccccc1 WXVL_AK0761SD0001 [0,0,0,0,0,2|2,0,0]=4 515 B13R1.45 C=C(C)CNC(=O)c1ccccn1 WXVL_AK0761SC0058 [0,0,0,0,0,2|2,0,0]=4 516 B13R1.45 C=C(C)CNC(=O)c1ccccn1 WXVL_AK0761SC0058 [0,0,0,0,0,2|2,0,0]=4 517 B13R1.45 C=C(C)CNC(=O)c1cccnc1 WXVL_AK0761SC0061 [0,0,0,0,0,2|2,0,0]=4 518 B13R1.45 C=C(C)CNC(=O)c1cccnc1 WXVL_AK0761SC0061 [0,0,0,0,0,2|2,0,0]=4 519 B13R1.45 C=C(C)CNC(=O)c1cccnn1 WXVL_AK0761SC0374 [0,0,0,0,0,2|2,0,0]=4 520 B13R1.45 C=C(C)CNC(=O)c1cccnn1 WXVL_AK0761SC0374 [0,0,0,0,0,2|2,0,0]=4 521 B13R1.45 C=C(C)CNC(=O)c1ccncc1 WXVL_AK0761SC0062 [0,0,0,0,0,2|2,0,0]=4 522 B13R1.45 C=C(C)CNC(=O)c1ccncc1 WXVL_AK0761SC0062 [0,0,0,0,0,2|2,0,0]=4 523 B13R1.45 C=C(C)CNC(=O)c1ccncn1 WXVL_AK0761SC0231 [0,0,0,0,0,2|2,0,0]=4 524 B13R1.45 C=C(C)CNC(=O)c1ccncn1 WXVL_AK0761SC0231 [0,0,0,0,0,2|2,0,0]=4 525 B13R1.45 C=C(C)CNC(=O)c1ncccn1 WXVL_AK0761SC0096 [0,0,0,0,0,2|2,0,0]=4 526 B13R1.45 C=C(C)CNC(=O)c1ncccn1 WXVL_AK0761SC0096 [0,0,0,0,0,2|2,0,0]=4 527 B13R1.45 NC(=O)CNC(=O)c1ccccc1 WXVL_AK0084SB0466 [0,0,0,0,0,2|2,0,0]=4 528 B13R1.45 NC(=O)CNC(=O)c1ccccc1 WXVL_AK0084SB0466 [0,0,0,0,0,2|2,0,0]=4 529 B13R1.45 NC(=O)CNC(=O)c1ccccc1 WXVL_AK0147SD0001 [0,0,0,0,0,2|2,0,0]=4 530 B13R1.45 NC(=O)CNC(=O)c1ccccc1 WXVL_AK0147SD0001 [0,0,0,0,0,2|2,0,0]=4 531 B13R1.45 NC(=O)CNC(=O)c1ccccn1 WXVL_AK0147SC0058 [0,0,0,0,0,2|2,0,0]=4 532 B13R1.45 NC(=O)CNC(=O)c1ccccn1 WXVL_AK0147SC0058 [0,0,0,0,0,2|2,0,0]=4 533 B13R1.45 NC(=O)CNC(=O)c1cccnc1 WXVL_AK0147SC0061 [0,0,0,0,0,2|2,0,0]=4 534 B13R1.45 NC(=O)CNC(=O)c1cccnc1 WXVL_AK0147SC0061 [0,0,0,0,0,2|2,0,0]=4 535 B13R1.45 NC(=O)CNC(=O)c1cccnn1 WXVL_AK0147SC0374 [0,0,0,0,0,2|2,0,0]=4 536 B13R1.45 NC(=O)CNC(=O)c1cccnn1 WXVL_AK0147SC0374 [0,0,0,0,0,2|2,0,0]=4 537 B13R1.45 NC(=O)CNC(=O)c1ccncc1 WXVL_AK0147SC0062 [0,0,0,0,0,2|2,0,0]=4 538 B13R1.45 NC(=O)CNC(=O)c1ccncc1 WXVL_AK0147SC0062 [0,0,0,0,0,2|2,0,0]=4 539 B13R1.45 NC(=O)CNC(=O)c1ccncn1 WXVL_AK0147SC0231 [0,0,0,0,0,2|2,0,0]=4 540 B13R1.45 NC(=O)CNC(=O)c1ccncn1 WXVL_AK0147SC0231 [0,0,0,0,0,2|2,0,0]=4 541 B13R1.45 NC(=O)CNC(=O)c1ncccn1 WXVL_AK0147SC0096 [0,0,0,0,0,2|2,0,0]=4 542 B13R1.45 NC(=O)CNC(=O)c1ncccn1 WXVL_AK0147SC0096 [0,0,0,0,0,2|2,0,0]=4 543 B13R1.342 CC(C)CCNC(=O)c1ccco1 WXVL_AK0068SC0049 [0,0,0,0,0,2|1,0,1]=4 544 B13R1.342 CC(C)CCNC(=O)c1ccco1 WXVL_AK0068SC0049 [0,0,0,0,0,2|1,0,1]=4 545 B13R1.342 CN(C)CCNC(=O)c1ccco1 WXVL_AK0058SC0049 [0,0,0,0,0,2|2,0,0]=4 546 B13R1.342 CN(C)CCNC(=O)c1ccco1 WXVL_AK0058SC0049 [0,0,0,0,0,2|2,0,0]=4 547 B13R1.342 NC(=O)CCNC(=O)c1ccc[nH]1 WXVL_AK0084SA0109 [0,0,0,0,0,2|2,0,0]=4 548 B13R1.342 NC(=O)CCNC(=O)c1ccc[nH]1 WXVL_AK0084SA0109 [0,0,0,0,0,2|2,0,0]=4 549 B13R1.342 NC(=O)CCNC(=O)c1ccco1 WXVL_AK00443SC0049 [0,0,0,0,0,2|1,0,0]=3 550 B13R1.342 NC(=O)CCNC(=O)c1ccco1 WXVL_AK00443SC0049 [0,0,0,0,0,2|1,0,0]=3 551 B13R1.342 NC(=O)CCNC(=O)c1cccs1 WXVL_AK00443SC0051 [0,0,0,0,0,2|1,1,0]=4 552 B13R1.342 NC(=O)CCNC(=O)c1cccs1 WXVL_AK00443SC0051 [0,0,0,0,0,2|1,1,0]=4 553 B13R1.342 NC(=O)CCNC(=O)c1ccno1 WXVL_AK00443SC0080 [0,0,0,0,0,2|2,0,0]=4 554 B13R1.342 NC(=O)CCNC(=O)c1ccno1 WXVL_AK00443SC0080 [0,0,0,0,0,2|2,0,0]=4 555 B13R1.342 NC(=O)CCNC(=O)c1cnco1 WXVL_AK00443SC0018 [0,0,0,0,0,2|2,0,0]=4 556 B13R1.342 NC(=O)CCNC(=O)c1cnco1 WXVL_AK00443SC0018 [0,0,0,0,0,2|2,0,0]=4 557 B13R1.344 C=C(C)CNC(=O)Cc1cccs1 WXVL_AK0761SA0018 [0,0,0,0,0,2|1,1,0]=4 558 B13R1.344 C=C(C)CNC(=O)Cc1cccs1 WXVL_AK0761SA0018 [0,0,0,0,0,2|1,1,0]=4 559 B13R1.344 CC(=O)CCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0072 [0,0,0,0,0,2|2,0,0]=4 560 B13R1.344 CC(=O)CCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0072 [0,0,0,0,0,2|2,0,0]=4 561 B13R1.344 CC(=O)CCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0072 [0,0,0,0,0,2|2,0,0]=4 562 B13R1.344 CC(=O)CCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0072 [0,0,0,0,0,2|2,0,0]=4 563 B13R1.344 CC(=O)CCC(=O)Nc1ccno1 WXVL_AF0588SB0072 [0,0,0,0,0,2|1,0,0]=3 564 B13R1.344 CC(=O)CCC(=O)Nc1ccno1 WXVL_AF0588SB0072 [0,0,0,0,0,2|1,0,0]=3 565 B13R1.344 CC(=O)CCC(=O)Nc1ccns1 WXVL_AF00325SB0072 [0,0,0,0,0,2|1,1,0]=4 566 B13R1.344 CC(=O)CCC(=O)Nc1ccns1 WXVL_AF00325SB0072 [0,0,0,0,0,2|1,1,0]=4 567 B13R1.344 CC(=O)CCC(=O)Nc1ccon1 WXVL_AF0028SB0072 [0,0,0,0,0,2|2,0,0]=4 568 B13R1.344 CC(=O)CCC(=O)Nc1ccon1 WXVL_AF0028SB0072 [0,0,0,0,0,2|2,0,0]=4 569 B13R1.344 CC(=O)CCC(=O)Nc1ccsc1 WXVL_AF00105SB0072 [0,0,0,0,0,2|2,0,0]=4 570 B13R1.344 CC(=O)CCC(=O)Nc1ccsc1 WXVL_AF00105SB0072 [0,0,0,0,0,2|2,0,0]=4 571 B13R1.344 CC(=O)CCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0072 [0,0,0,0,0,2|2,0,0]=4 572 B13R1.344 CC(=O)CCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0072 [0,0,0,0,0,2|2,0,0]=4 573 B13R1.344 CC(=O)CCC(=O)Nc1cncs1 WXVL_AF0724SB0072 [0,0,0,0,0,2|1,1,0]=4 574 B13R1.344 CC(=O)CCC(=O)Nc1cncs1 WXVL_AF0724SB0072 [0,0,0,0,0,2|1,1,0]=4 575 B13R1.344 CC(=O)CCC(=O)Nc1cscn1 WXVL_AF00216SB0072 [0,0,0,0,0,2|2,0,0]=4 576 B13R1.344 CC(=O)CCC(=O)Nc1cscn1 WXVL_AF00216SB0072 [0,0,0,0,0,2|2,0,0]=4 577 B13R1.344 CC(=O)CCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0072 [0,0,0,0,0,2|2,0,0]=4 578 B13R1.344 CC(=O)CCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0072 [0,0,0,0,0,2|2,0,0]=4 579 B13R1.344 CC(=O)CCC(=O)Nc1ncco1 WXVL_AF0235SB0072 [0,0,0,0,0,2|1,0,0]=3 580 B13R1.344 CC(=O)CCC(=O)Nc1ncco1 WXVL_AF0235SB0072 [0,0,0,0,0,2|1,0,0]=3 581 B13R1.344 CC(=O)CCC(=O)Nc1nccs1 WXVL_AF0003SB0072 [0,0,0,0,0,2|1,1,0]=4 582 B13R1.344 CC(=O)CCC(=O)Nc1nccs1 WXVL_AF0003SB0072 [0,0,0,0,0,2|1,1,0]=4 583 B13R1.344 CC(=O)CCC(=O)Nc1nnco1 WXVL_AF0087SB0072 [0,0,0,0,0,2|2,0,0]=4 584 B13R1.344 CC(=O)CCC(=O)Nc1nnco1 WXVL_AF0087SB0072 [0,0,0,0,0,2|2,0,0]=4 585 B13R1.344 CC(=O)NCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0357 [0,0,0,0,0,2|2,0,0]=4 586 B13R1.344 CC(=O)NCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0357 [0,0,0,0,0,2|2,0,0]=4 587 B13R1.344 CC(=O)NCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0357 [0,0,0,0,0,2|2,0,0]=4 588 B13R1.344 CC(=O)NCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0357 [0,0,0,0,0,2|2,0,0]=4 589 B13R1.344 CC(=O)NCC(=O)Nc1ccno1 WXVL_AF0588SB0357 [0,0,0,0,0,2|1,0,0]=3 590 B13R1.344 CC(=O)NCC(=O)Nc1ccno1 WXVL_AF0588SB0357 [0,0,0,0,0,2|1,0,0]=3 591 B13R1.344 CC(=O)NCC(=O)Nc1ccns1 WXVL_AF00325SB0357 [0,0,0,0,0,2|1,1,0]=4 592 B13R1.344 CC(=O)NCC(=O)Nc1ccns1 WXVL_AF00325SB0357 [0,0,0,0,0,2|1,1,0]=4 593 B13R1.344 CC(=O)NCC(=O)Nc1ccon1 WXVL_AF0028SB0357 [0,0,0,0,0,2|2,0,0]=4 594 B13R1.344 CC(=O)NCC(=O)Nc1ccon1 WXVL_AF0028SB0357 [0,0,0,0,0,2|2,0,0]=4 595 B13R1.344 CC(=O)NCC(=O)Nc1ccsc1 WXVL_AF00105SB0357 [0,0,0,0,0,2|2,0,0]=4 596 B13R1.344 CC(=O)NCC(=O)Nc1ccsc1 WXVL_AF00105SB0357 [0,0,0,0,0,2|2,0,0]=4 597 B13R1.344 CC(=O)NCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0357 [0,0,0,0,0,2|2,0,0]=4 598 B13R1.344 CC(=O)NCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0357 [0,0,0,0,0,2|2,0,0]=4 599 B13R1.344 CC(=O)NCC(=O)Nc1cncs1 WXVL_AF0724SB0357 [0,0,0,0,0,2|1,1,0]=4 600 B13R1.344 CC(=O)NCC(=O)Nc1cncs1 WXVL_AF0724SB0357 [0,0,0,0,0,2|1,1,0]=4 601 B13R1.344 CC(=O)NCC(=O)Nc1cscn1 WXVL_AF00216SB0357 [0,0,0,0,0,2|2,0,0]=4 602 B13R1.344 CC(=O)NCC(=O)Nc1cscn1 WXVL_AF00216SB0357 [0,0,0,0,0,2|2,0,0]=4 603 B13R1.344 CC(=O)NCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0357 [0,0,0,0,0,2|2,0,0]=4 604 B13R1.344 CC(=O)NCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0357 [0,0,0,0,0,2|2,0,0]=4 605 B13R1.344 CC(=O)NCC(=O)Nc1ncco1 WXVL_AF0235SB0357 [0,0,0,0,0,2|1,0,0]=3 606 B13R1.344 CC(=O)NCC(=O)Nc1ncco1 WXVL_AF0235SB0357 [0,0,0,0,0,2|1,0,0]=3 607 B13R1.344 CC(=O)NCC(=O)Nc1nccs1 WXVL_AF0003SB0357 [0,0,0,0,0,2|1,1,0]=4 608 B13R1.344 CC(=O)NCC(=O)Nc1nccs1 WXVL_AF0003SB0357 [0,0,0,0,0,2|1,1,0]=4 609 B13R1.344 CC(=O)NCC(=O)Nc1nnco1 WXVL_AF0087SB0357 [0,0,0,0,0,2|2,0,0]=4 610 B13R1.344 CC(=O)NCC(=O)Nc1nnco1 WXVL_AF0087SB0357 [0,0,0,0,0,2|2,0,0]=4 611 B13R1.344 CC(=O)OCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB2824 [0,0,0,0,0,2|2,0,0]=4 612 B13R1.344 CC(=O)OCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB2824 [0,0,0,0,0,2|2,0,0]=4 613 B13R1.344 CC(=O)OCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB2824 [0,0,0,0,0,2|2,0,0]=4 614 B13R1.344 CC(=O)OCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB2824 [0,0,0,0,0,2|2,0,0]=4 615 B13R1.344 CC(=O)OCC(=O)Nc1ccno1 WXVL_AF0588SB2824 [0,0,0,0,0,2|1,0,0]=3 616 B13R1.344 CC(=O)OCC(=O)Nc1ccno1 WXVL_AF0588SB2824 [0,0,0,0,0,2|1,0,0]=3 617 B13R1.344 CC(=O)OCC(=O)Nc1ccns1 WXVL_AF00325SB2824 [0,0,0,0,0,2|1,1,0]=4 618 B13R1.344 CC(=O)OCC(=O)Nc1ccns1 WXVL_AF00325SB2824 [0,0,0,0,0,2|1,1,0]=4 619 B13R1.344 CC(=O)OCC(=O)Nc1ccon1 WXVL_AF0028SB2824 [0,0,0,0,0,2|2,0,0]=4 620 B13R1.344 CC(=O)OCC(=O)Nc1ccon1 WXVL_AF0028SB2824 [0,0,0,0,0,2|2,0,0]=4 621 B13R1.344 CC(=O)OCC(=O)Nc1ccsc1 WXVL_AF00105SB2824 [0,0,0,0,0,2|2,0,0]=4 622 B13R1.344 CC(=O)OCC(=O)Nc1ccsc1 WXVL_AF00105SB2824 [0,0,0,0,0,2|2,0,0]=4 623 B13R1.344 CC(=O)OCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB2824 [0,0,0,0,0,2|2,0,0]=4 624 B13R1.344 CC(=O)OCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB2824 [0,0,0,0,0,2|2,0,0]=4 625 B13R1.344 CC(=O)OCC(=O)Nc1cncs1 WXVL_AF0724SB2824 [0,0,0,0,0,2|1,1,0]=4 626 B13R1.344 CC(=O)OCC(=O)Nc1cncs1 WXVL_AF0724SB2824 [0,0,0,0,0,2|1,1,0]=4 627 B13R1.344 CC(=O)OCC(=O)Nc1cscn1 WXVL_AF00216SB2824 [0,0,0,0,0,2|2,0,0]=4 628 B13R1.344 CC(=O)OCC(=O)Nc1cscn1 WXVL_AF00216SB2824 [0,0,0,0,0,2|2,0,0]=4 629 B13R1.344 CC(=O)OCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB2824 [0,0,0,0,0,2|2,0,0]=4 630 B13R1.344 CC(=O)OCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB2824 [0,0,0,0,0,2|2,0,0]=4 631 B13R1.344 CC(=O)OCC(=O)Nc1ncco1 WXVL_AF0235SB2824 [0,0,0,0,0,2|1,0,0]=3 632 B13R1.344 CC(=O)OCC(=O)Nc1ncco1 WXVL_AF0235SB2824 [0,0,0,0,0,2|1,0,0]=3 633 B13R1.344 CC(=O)OCC(=O)Nc1nccs1 WXVL_AF0003SB2824 [0,0,0,0,0,2|1,1,0]=4 634 B13R1.344 CC(=O)OCC(=O)Nc1nccs1 WXVL_AF0003SB2824 [0,0,0,0,0,2|1,1,0]=4 635 B13R1.344 CC(=O)OCC(=O)Nc1nnco1 WXVL_AF0087SB2824 [0,0,0,0,0,2|2,0,0]=4 636 B13R1.344 CC(=O)OCC(=O)Nc1nnco1 WXVL_AF0087SB2824 [0,0,0,0,0,2|2,0,0]=4 637 B13R1.344 CC(=O)SCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB3992 [0,0,0,0,0,2|2,0,0]=4 638 B13R1.344 CC(=O)SCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB3992 [0,0,0,0,0,2|2,0,0]=4 639 B13R1.344 CC(=O)SCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB3992 [0,0,0,0,0,2|2,0,0]=4 640 B13R1.344 CC(=O)SCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB3992 [0,0,0,0,0,2|2,0,0]=4 641 B13R1.344 CC(=O)SCC(=O)Nc1ccno1 WXVL_AF0588SB3992 [0,0,0,0,0,2|1,0,0]=3 642 B13R1.344 CC(=O)SCC(=O)Nc1ccno1 WXVL_AF0588SB3992 [0,0,0,0,0,2|1,0,0]=3 643 B13R1.344 CC(=O)SCC(=O)Nc1ccns1 WXVL_AF00325SB3992 [0,0,0,0,0,2|1,1,0]=4 644 B13R1.344 CC(=O)SCC(=O)Nc1ccns1 WXVL_AF00325SB3992 [0,0,0,0,0,2|1,1,0]=4 645 B13R1.344 CC(=O)SCC(=O)Nc1ccon1 WXVL_AF0028SB3992 [0,0,0,0,0,2|2,0,0]=4 646 B13R1.344 CC(=O)SCC(=O)Nc1ccon1 WXVL_AF0028SB3992 [0,0,0,0,0,2|2,0,0]=4 647 B13R1.344 CC(=O)SCC(=O)Nc1ccsc1 WXVL_AF00105SB3992 [0,0,0,0,0,2|2,0,0]=4 648 B13R1.344 CC(=O)SCC(=O)Nc1ccsc1 WXVL_AF00105SB3992 [0,0,0,0,0,2|2,0,0]=4 649 B13R1.344 CC(=O)SCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB3992 [0,0,0,0,0,2|2,0,0]=4 650 B13R1.344 CC(=O)SCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB3992 [0,0,0,0,0,2|2,0,0]=4 651 B13R1.344 CC(=O)SCC(=O)Nc1cncs1 WXVL_AF0724SB3992 [0,0,0,0,0,2|1,1,0]=4 652 B13R1.344 CC(=O)SCC(=O)Nc1cncs1 WXVL_AF0724SB3992 [0,0,0,0,0,2|1,1,0]=4 653 B13R1.344 CC(=O)SCC(=O)Nc1cscn1 WXVL_AF00216SB3992 [0,0,0,0,0,2|2,0,0]=4 654 B13R1.344 CC(=O)SCC(=O)Nc1cscn1 WXVL_AF00216SB3992 [0,0,0,0,0,2|2,0,0]=4 655 B13R1.344 CC(=O)SCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB3992 [0,0,0,0,0,2|2,0,0]=4 656 B13R1.344 CC(=O)SCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB3992 [0,0,0,0,0,2|2,0,0]=4 657 B13R1.344 CC(=O)SCC(=O)Nc1ncco1 WXVL_AF0235SB3992 [0,0,0,0,0,2|1,0,0]=3 658 B13R1.344 CC(=O)SCC(=O)Nc1ncco1 WXVL_AF0235SB3992 [0,0,0,0,0,2|1,0,0]=3 659 B13R1.344 CC(=O)SCC(=O)Nc1nccs1 WXVL_AF0003SB3992 [0,0,0,0,0,2|1,1,0]=4 660 B13R1.344 CC(=O)SCC(=O)Nc1nccs1 WXVL_AF0003SB3992 [0,0,0,0,0,2|1,1,0]=4 661 B13R1.344 CC(=O)SCC(=O)Nc1nnco1 WXVL_AF0087SB3992 [0,0,0,0,0,2|2,0,0]=4 662 B13R1.344 CC(=O)SCC(=O)Nc1nnco1 WXVL_AF0087SB3992 [0,0,0,0,0,2|2,0,0]=4 663 B13R1.344 NC(=O)CCC(=O)Nc1ccno1 WXVL_AF0588SB0358 [0,0,0,0,0,2|2,0,0]=4 664 B13R1.344 NC(=O)CCC(=O)Nc1ccno1 WXVL_AF0588SB0358 [0,0,0,0,0,2|2,0,0]=4 665 B13R1.344 NC(=O)CCC(=O)Nc1ncco1 WXVL_AF0235SB0358 [0,0,0,0,0,2|2,0,0]=4 666 B13R1.344 NC(=O)CCC(=O)Nc1ncco1 WXVL_AF0235SB0358 [0,0,0,0,0,2|2,0,0]=4 667 B13R1.344 NC(=O)CNC(=O)Cc1cccs1 WXVL_AK0147SA0018 [0,0,0,0,0,2|1,1,0]=4 668 B13R1.344 NC(=O)CNC(=O)Cc1cccs1 WXVL_AK0147SA0018 [0,0,0,0,0,2|1,1,0]=4 669 B13R1.344 NC(=O)NCC(=O)Nc1ccno1 WXVL_AF0588SB0746 [0,0,0,0,0,2|2,0,0]=4 670 B13R1.344 NC(=O)NCC(=O)Nc1ccno1 WXVL_AF0588SB0746 [0,0,0,0,0,2|2,0,0]=4 671 B13R1.344 NC(=O)NCC(=O)Nc1ncco1 WXVL_AF0235SB0746 [0,0,0,0,0,2|2,0,0]=4 672 B13R1.344 NC(=O)NCC(=O)Nc1ncco1 WXVL_AF0235SB0746 [0,0,0,0,0,2|2,0,0]=4 673 B13R1.593 CC(=CC(=O)NCc1ccco1)C WXVL_AK0010SB0342 [0,0,0,0,0,2|1,0,1]=4 674 B13R1.593 CC(=CC(=O)NCc1ccco1)C WXVL_AK0010SB0342 [0,0,0,0,0,2|1,0,1]=4 675 B13R1.593 CC(C)CC(=O)NCc1ccco1 WXVL_AK0010SB0063 [0,0,0,0,0,2|1,0,1]=4 676 B13R1.593 CC(C)CC(=O)NCc1ccco1 WXVL_AK0010SB0063 [0,0,0,0,0,2|1,0,1]=4 677 B13R1.593 CC(O)CC(=O)NCc1ccco1 WXVL_AK0010SB3643 [0,0,0,0,0,2|0,0,2]=4 678 B13R1.593 CC(O)CC(=O)NCc1ccco1 WXVL_AK0010SB3643 [0,0,0,0,0,2|0,0,2]=4 679 B13R1.593 CN(C)CC(=O)NCc1ccco1 WXVL_AK0010SB0085 [0,0,0,0,0,2|2,0,0]=4 680 B13R1.593 CN(C)CC(=O)NCc1ccco1 WXVL_AK0010SB0085 [0,0,0,0,0,2|2,0,0]=4