0 B12R1.51 C#CCC(=O)NCc1ccco1 WXVL_AK0010SB3070 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.51 C#CCC(=O)NCc1ccco1 WXVL_AK0010SB3070 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.51 C/C=C/C(=O)NCc1ccc[nH]1 WXVL_AK00759SB0340 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.51 C/C=C/C(=O)NCc1ccc[nH]1 WXVL_AK00759SB0340 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.51 C/C=C/C(=O)NCc1ccco1 WXVL_AK0010SB0340 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.51 C/C=C/C(=O)NCc1ccco1 WXVL_AK0010SB0340 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.51 C/C=C/C(=O)NCc1cccs1 WXVL_AK0014SB0340 [0,0,0,0,0,0|2,1,1]=4 7 B12R1.51 C/C=C/C(=O)NCc1cccs1 WXVL_AK0014SB0340 [0,0,0,0,0,0|2,1,1]=4 8 B12R1.51 C/C=C/C(=O)NCc1cnco1 WXVL_AK1437SB0340 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.51 C/C=C/C(=O)NCc1cnco1 WXVL_AK1437SB0340 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.51 C=CCC(=O)NCc1ccco1 WXVL_AK0010SB2732 [0,0,0,0,0,0|2,0,2]=4 11 B12R1.51 C=CCC(=O)NCc1ccco1 WXVL_AK0010SB2732 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.51 CC#CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB1240 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.51 CC#CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB1240 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.51 CC#CC(=O)NCc1ccco1 WXVL_AK0010SB1240 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.51 CC#CC(=O)NCc1ccco1 WXVL_AK0010SB1240 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.51 CC#CC(=O)NCc1cccs1 WXVL_AK0014SB1240 [0,0,0,0,0,0|2,1,1]=4 17 B12R1.51 CC#CC(=O)NCc1cccs1 WXVL_AK0014SB1240 [0,0,0,0,0,0|2,1,1]=4 18 B12R1.51 CC#CC(=O)NCc1cnco1 WXVL_AK1437SB1240 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.51 CC#CC(=O)NCc1cnco1 WXVL_AK1437SB1240 [0,0,0,0,0,0|3,0,1]=4 20 B12R1.51 CCCC(=O)NCc1cc[nH]n1 WXVL_AK00156SB0073 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.51 CCCC(=O)NCc1cc[nH]n1 WXVL_AK00156SB0073 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.51 CCCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0073 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.51 CCCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0073 [0,0,0,0,0,0|3,0,0]=3 24 B12R1.51 CCCC(=O)NCc1ccco1 WXVL_AK0010SB0073 [0,0,0,0,0,0|2,0,0]=2 25 B12R1.51 CCCC(=O)NCc1ccco1 WXVL_AK0010SB0073 [0,0,0,0,0,0|2,0,0]=2 26 B12R1.51 CCCC(=O)NCc1cccs1 WXVL_AK0014SB0073 [0,0,0,0,0,0|2,1,0]=3 27 B12R1.51 CCCC(=O)NCc1cccs1 WXVL_AK0014SB0073 [0,0,0,0,0,0|2,1,0]=3 28 B12R1.51 CCCC(=O)NCc1ccn[nH]1 WXVL_AK0459SB0073 [0,0,0,0,0,0|4,0,0]=4 29 B12R1.51 CCCC(=O)NCc1ccn[nH]1 WXVL_AK0459SB0073 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.51 CCCC(=O)NCc1ccoc1 WXVL_AK2033SB0073 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.51 CCCC(=O)NCc1ccoc1 WXVL_AK2033SB0073 [0,0,0,0,0,0|4,0,0]=4 32 B12R1.51 CCCC(=O)NCc1ccsc1 WXVL_AK00174SB0073 [0,0,0,0,0,0|4,0,0]=4 33 B12R1.51 CCCC(=O)NCc1ccsc1 WXVL_AK00174SB0073 [0,0,0,0,0,0|4,0,0]=4 34 B12R1.51 CCCC(=O)NCc1cnc[nH]1 WXVL_AK00778SB0073 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.51 CCCC(=O)NCc1cnc[nH]1 WXVL_AK00778SB0073 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.51 CCCC(=O)NCc1cnco1 WXVL_AK1437SB0073 [0,0,0,0,0,0|3,0,0]=3 37 B12R1.51 CCCC(=O)NCc1cnco1 WXVL_AK1437SB0073 [0,0,0,0,0,0|3,0,0]=3 38 B12R1.51 CCCC(=O)NCc1cncs1 WXVL_AK0526SB0073 [0,0,0,0,0,0|3,1,0]=4 39 B12R1.51 CCCC(=O)NCc1cncs1 WXVL_AK0526SB0073 [0,0,0,0,0,0|3,1,0]=4 40 B12R1.51 CCCC(=O)NCc1cocn1 WXVL_AK00016SB0073 [0,0,0,0,0,0|4,0,0]=4 41 B12R1.51 CCCC(=O)NCc1cocn1 WXVL_AK00016SB0073 [0,0,0,0,0,0|4,0,0]=4 42 B12R1.51 CCCC(=O)NCc1cscn1 WXVL_AK0325SB0073 [0,0,0,0,0,0|4,0,0]=4 43 B12R1.51 CCCC(=O)NCc1cscn1 WXVL_AK0325SB0073 [0,0,0,0,0,0|4,0,0]=4 44 B12R1.51 CCCC(=O)NCc1nccs1 WXVL_AK0153SB0073 [0,0,0,0,0,0|3,1,0]=4 45 B12R1.51 CCCC(=O)NCc1nccs1 WXVL_AK0153SB0073 [0,0,0,0,0,0|3,1,0]=4 46 B12R1.51 CCNC(=O)/C=C/c1ccco1 WXVL_AK00476SA0180 [0,0,0,0,0,0|1,0,2]=3 47 B12R1.51 CCNC(=O)/C=C/c1ccco1 WXVL_AK00476SA0180 [0,0,0,0,0,0|1,0,2]=3 48 B12R1.51 CCNC(=O)/C=C/c1cccs1 WXVL_AK00476SA0001 [0,0,0,0,0,0|1,1,2]=4 49 B12R1.51 CCNC(=O)/C=C/c1cccs1 WXVL_AK00476SA0001 [0,0,0,0,0,0|1,1,2]=4 50 B12R1.51 CCNC(=O)CCc1ccc[nH]1 WXVL_AK00476SA0009 [0,0,0,0,0,0|2,0,0]=2 51 B12R1.51 CCNC(=O)CCc1ccc[nH]1 WXVL_AK00476SA0009 [0,0,0,0,0,0|2,0,0]=2 52 B12R1.51 CCNC(=O)CCc1ccco1 WXVL_AK00476SA0167 [0,0,0,0,0,0|1,0,0]=1 53 B12R1.51 CCNC(=O)CCc1ccco1 WXVL_AK00476SA0167 [0,0,0,0,0,0|1,0,0]=1 54 B12R1.51 CCNC(=O)CCc1cccs1 WXVL_AK00476SA0303 [0,0,0,0,0,0|1,1,0]=2 55 B12R1.51 CCNC(=O)CCc1cccs1 WXVL_AK00476SA0303 [0,0,0,0,0,0|1,1,0]=2 56 B12R1.51 CCNC(=O)CCc1ccoc1 WXVL_AK00476SA3178 [0,0,0,0,0,0|3,0,0]=3 57 B12R1.51 CCNC(=O)CCc1ccoc1 WXVL_AK00476SA3178 [0,0,0,0,0,0|3,0,0]=3 58 B12R1.51 CCNC(=O)CCc1ccsc1 WXVL_AK00476SA0008 [0,0,0,0,0,0|3,0,0]=3 59 B12R1.51 CCNC(=O)CCc1ccsc1 WXVL_AK00476SA0008 [0,0,0,0,0,0|3,0,0]=3 60 B12R1.51 CCNC(=O)CCc1cnc[nH]1 WXVL_AK00476SA0100 [0,0,0,0,0,0|3,0,0]=3 61 B12R1.51 CCNC(=O)CCc1cnc[nH]1 WXVL_AK00476SA0100 [0,0,0,0,0,0|3,0,0]=3 62 B12R1.51 CCNC(=O)CCc1ncc[nH]1 WXVL_AK00476SA0555 [0,0,0,0,0,0|3,0,0]=3 63 B12R1.51 CCNC(=O)CCc1ncc[nH]1 WXVL_AK00476SA0555 [0,0,0,0,0,0|3,0,0]=3 64 B12R1.51 CCNC(=O)CCn1cncn1 WXVL_AK00476SA0886 [0,0,0,0,0,0|4,0,0]=4 65 B12R1.51 CCNC(=O)CCn1cncn1 WXVL_AK00476SA0886 [0,0,0,0,0,0|4,0,0]=4 66 B12R1.51 COCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0090 [0,0,0,0,0,0|4,0,0]=4 67 B12R1.51 COCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0090 [0,0,0,0,0,0|4,0,0]=4 68 B12R1.51 COCC(=O)NCc1ccco1 WXVL_AK0010SB0090 [0,0,0,0,0,0|3,0,0]=3 69 B12R1.51 COCC(=O)NCc1ccco1 WXVL_AK0010SB0090 [0,0,0,0,0,0|3,0,0]=3 70 B12R1.51 COCC(=O)NCc1cccs1 WXVL_AK0014SB0090 [0,0,0,0,0,0|3,1,0]=4 71 B12R1.51 COCC(=O)NCc1cccs1 WXVL_AK0014SB0090 [0,0,0,0,0,0|3,1,0]=4 72 B12R1.51 COCC(=O)NCc1cnco1 WXVL_AK1437SB0090 [0,0,0,0,0,0|4,0,0]=4 73 B12R1.51 COCC(=O)NCc1cnco1 WXVL_AK1437SB0090 [0,0,0,0,0,0|4,0,0]=4 74 B12R1.51 CSCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB1267 [0,0,0,0,0,0|4,0,0]=4 75 B12R1.51 CSCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB1267 [0,0,0,0,0,0|4,0,0]=4 76 B12R1.51 CSCC(=O)NCc1ccco1 WXVL_AK0010SB1267 [0,0,0,0,0,0|3,0,0]=3 77 B12R1.51 CSCC(=O)NCc1ccco1 WXVL_AK0010SB1267 [0,0,0,0,0,0|3,0,0]=3 78 B12R1.51 CSCC(=O)NCc1cccs1 WXVL_AK0014SB1267 [0,0,0,0,0,0|3,1,0]=4 79 B12R1.51 CSCC(=O)NCc1cccs1 WXVL_AK0014SB1267 [0,0,0,0,0,0|3,1,0]=4 80 B12R1.51 CSCC(=O)NCc1cnco1 WXVL_AK1437SB1267 [0,0,0,0,0,0|4,0,0]=4 81 B12R1.51 CSCC(=O)NCc1cnco1 WXVL_AK1437SB1267 [0,0,0,0,0,0|4,0,0]=4 82 B12R1.51 N#CCC(=O)NCc1ccco1 WXVL_AK0010SB0057 [0,0,0,0,0,0|3,0,1]=4 83 B12R1.51 N#CCC(=O)NCc1ccco1 WXVL_AK0010SB0057 [0,0,0,0,0,0|3,0,1]=4 84 B11R1.25 C#CC(=O)NCc1ccco1 WXVL_AK0010SB0338 [1,0,0,0,0,0|1,0,2]=4 85 B11R1.25 C#CC(=O)NCc1ccco1 WXVL_AK0010SB0338 [1,0,0,0,0,0|1,0,2]=4 86 B11R1.25 CCC(=O)NCc1cc[nH]n1 WXVL_AK00156SB0064 [1,0,0,0,0,0|3,0,0]=4 87 B11R1.25 CCC(=O)NCc1cc[nH]n1 WXVL_AK00156SB0064 [1,0,0,0,0,0|3,0,0]=4 88 B11R1.25 CCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0064 [1,0,0,0,0,0|2,0,0]=3 89 B11R1.25 CCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0064 [1,0,0,0,0,0|2,0,0]=3 90 B11R1.25 CCC(=O)NCc1ccco1 WXVL_AK0010SB0064 [1,0,0,0,0,0|1,0,0]=2 91 B11R1.25 CCC(=O)NCc1ccco1 WXVL_AK0010SB0064 [1,0,0,0,0,0|1,0,0]=2 92 B11R1.25 CCC(=O)NCc1cccs1 WXVL_AK0014SB0064 [1,0,0,0,0,0|1,1,0]=3 93 B11R1.25 CCC(=O)NCc1cccs1 WXVL_AK0014SB0064 [1,0,0,0,0,0|1,1,0]=3 94 B11R1.25 CCC(=O)NCc1ccn[nH]1 WXVL_AK0459SB0064 [1,0,0,0,0,0|3,0,0]=4 95 B11R1.25 CCC(=O)NCc1ccn[nH]1 WXVL_AK0459SB0064 [1,0,0,0,0,0|3,0,0]=4 96 B11R1.25 CCC(=O)NCc1ccoc1 WXVL_AK2033SB0064 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.25 CCC(=O)NCc1ccoc1 WXVL_AK2033SB0064 [1,0,0,0,0,0|3,0,0]=4 98 B11R1.25 CCC(=O)NCc1ccsc1 WXVL_AK00174SB0064 [1,0,0,0,0,0|3,0,0]=4 99 B11R1.25 CCC(=O)NCc1ccsc1 WXVL_AK00174SB0064 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.25 CCC(=O)NCc1cnc[nH]1 WXVL_AK00778SB0064 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.25 CCC(=O)NCc1cnc[nH]1 WXVL_AK00778SB0064 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.25 CCC(=O)NCc1cnco1 WXVL_AK1437SB0064 [1,0,0,0,0,0|2,0,0]=3 103 B11R1.25 CCC(=O)NCc1cnco1 WXVL_AK1437SB0064 [1,0,0,0,0,0|2,0,0]=3 104 B11R1.25 CCC(=O)NCc1cncs1 WXVL_AK0526SB0064 [1,0,0,0,0,0|2,1,0]=4 105 B11R1.25 CCC(=O)NCc1cncs1 WXVL_AK0526SB0064 [1,0,0,0,0,0|2,1,0]=4 106 B11R1.25 CCC(=O)NCc1cocn1 WXVL_AK00016SB0064 [1,0,0,0,0,0|3,0,0]=4 107 B11R1.25 CCC(=O)NCc1cocn1 WXVL_AK00016SB0064 [1,0,0,0,0,0|3,0,0]=4 108 B11R1.25 CCC(=O)NCc1cscn1 WXVL_AK0325SB0064 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.25 CCC(=O)NCc1cscn1 WXVL_AK0325SB0064 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.25 CCC(=O)NCc1nccs1 WXVL_AK0153SB0064 [1,0,0,0,0,0|2,1,0]=4 111 B11R1.25 CCC(=O)NCc1nccs1 WXVL_AK0153SB0064 [1,0,0,0,0,0|2,1,0]=4 112 B11R1.25 CNC(=O)/C=C/c1ccco1 WXVL_AK00442SA0180 [1,0,0,0,0,0|1,0,2]=4 113 B11R1.25 CNC(=O)/C=C/c1ccco1 WXVL_AK00442SA0180 [1,0,0,0,0,0|1,0,2]=4 114 B11R1.25 CNC(=O)CCc1ccc[nH]1 WXVL_AK00442SA0009 [1,0,0,0,0,0|2,0,0]=3 115 B11R1.25 CNC(=O)CCc1ccc[nH]1 WXVL_AK00442SA0009 [1,0,0,0,0,0|2,0,0]=3 116 B11R1.25 CNC(=O)CCc1ccco1 WXVL_AK00442SA0167 [1,0,0,0,0,0|1,0,0]=2 117 B11R1.25 CNC(=O)CCc1ccco1 WXVL_AK00442SA0167 [1,0,0,0,0,0|1,0,0]=2 118 B11R1.25 CNC(=O)CCc1cccs1 WXVL_AK00442SA0303 [1,0,0,0,0,0|1,1,0]=3 119 B11R1.25 CNC(=O)CCc1cccs1 WXVL_AK00442SA0303 [1,0,0,0,0,0|1,1,0]=3 120 B11R1.25 CNC(=O)CCc1ccoc1 WXVL_AK00442SA3178 [1,0,0,0,0,0|3,0,0]=4 121 B11R1.25 CNC(=O)CCc1ccoc1 WXVL_AK00442SA3178 [1,0,0,0,0,0|3,0,0]=4 122 B11R1.25 CNC(=O)CCc1ccsc1 WXVL_AK00442SA0008 [1,0,0,0,0,0|3,0,0]=4 123 B11R1.25 CNC(=O)CCc1ccsc1 WXVL_AK00442SA0008 [1,0,0,0,0,0|3,0,0]=4 124 B11R1.25 CNC(=O)CCc1cnc[nH]1 WXVL_AK00442SA0100 [1,0,0,0,0,0|3,0,0]=4 125 B11R1.25 CNC(=O)CCc1cnc[nH]1 WXVL_AK00442SA0100 [1,0,0,0,0,0|3,0,0]=4 126 B11R1.25 CNC(=O)CCc1ncc[nH]1 WXVL_AK00442SA0555 [1,0,0,0,0,0|3,0,0]=4 127 B11R1.25 CNC(=O)CCc1ncc[nH]1 WXVL_AK00442SA0555 [1,0,0,0,0,0|3,0,0]=4 128 B11R1.25 O=C(CO)NCc1ccc[nH]1 WXVL_AK00759SB2706 [1,0,0,0,0,0|3,0,0]=4 129 B11R1.25 O=C(CO)NCc1ccc[nH]1 WXVL_AK00759SB2706 [1,0,0,0,0,0|3,0,0]=4 130 B11R1.25 O=C(CO)NCc1ccco1 WXVL_AK0010SB2706 [1,0,0,0,0,0|2,0,0]=3 131 B11R1.25 O=C(CO)NCc1ccco1 WXVL_AK0010SB2706 [1,0,0,0,0,0|2,0,0]=3 132 B11R1.25 O=C(CO)NCc1cccs1 WXVL_AK0014SB2706 [1,0,0,0,0,0|2,1,0]=4 133 B11R1.25 O=C(CO)NCc1cccs1 WXVL_AK0014SB2706 [1,0,0,0,0,0|2,1,0]=4 134 B11R1.25 O=C(CO)NCc1cnco1 WXVL_AK1437SB2706 [1,0,0,0,0,0|3,0,0]=4 135 B11R1.25 O=C(CO)NCc1cnco1 WXVL_AK1437SB2706 [1,0,0,0,0,0|3,0,0]=4 136 B13R1.33 CCCC(=O)NC(C)c1ccno1 WXVL_AK6536SB0073 [0,1,0,0,0,0|3,0,0]=4 137 B13R1.33 CCCC(=O)NC(C)c1ccno1 WXVL_AK6536SB0073 [0,1,0,0,0,0|3,0,0]=4 138 B13R1.33 CCCC(=O)N[C@@H](C)c1cccs1 WXVL_AK00667SB0073 [0,1,0,0,0,0|2,1,0]=4 139 B13R1.33 CCCC(=O)N[C@@H](C)c1cccs1 WXVL_AK00667SB0073 [0,1,0,0,0,0|2,1,0]=4 140 B13R1.41 CCCC(=O)NCc1cc(cs1)Br WXVL_AK00192SB0073 [0,1,0,0,0,0|2,1,0]=4 141 B13R1.41 CCCC(=O)NCc1cc(cs1)Br WXVL_AK00192SB0073 [0,1,0,0,0,0|2,1,0]=4 142 B13R1.41 CCCC(=O)NCc1cc(no1)Br WXVL_AK1427SB0073 [0,1,0,0,0,0|3,0,0]=4 143 B13R1.41 CCCC(=O)NCc1cc(no1)Br WXVL_AK1427SB0073 [0,1,0,0,0,0|3,0,0]=4 144 B13R1.41 CCCC(=O)NCc1cc(no1)C WXVL_AK1064SB0073 [0,1,0,0,0,0|3,0,0]=4 145 B13R1.41 CCCC(=O)NCc1cc(no1)C WXVL_AK1064SB0073 [0,1,0,0,0,0|3,0,0]=4 146 B13R1.41 CCCC(=O)NCc1ccc(s1)Br WXVL_AK2468SB0073 [0,1,0,0,0,0|2,1,0]=4 147 B13R1.41 CCCC(=O)NCc1ccc(s1)Br WXVL_AK2468SB0073 [0,1,0,0,0,0|2,1,0]=4 148 B13R1.41 CCCC(=O)NCc1ccc(s1)C WXVL_AK0276SB0073 [0,1,0,0,0,0|2,1,0]=4 149 B13R1.41 CCCC(=O)NCc1ccc(s1)C WXVL_AK0276SB0073 [0,1,0,0,0,0|2,1,0]=4 150 B13R1.41 CCCC(=O)NCc1ccc(s1)Cl WXVL_AK00166SB0073 [0,1,0,0,0,0|2,1,0]=4 151 B13R1.41 CCCC(=O)NCc1ccc(s1)Cl WXVL_AK00166SB0073 [0,1,0,0,0,0|2,1,0]=4 152 B13R1.41 CCNC(=O)CCc1cc(cs1)C WXVL_AK00476SA0123 [0,1,0,0,0,0|1,1,0]=3 153 B13R1.41 CCNC(=O)CCc1cc(cs1)C WXVL_AK00476SA0123 [0,1,0,0,0,0|1,1,0]=3 154 B13R1.41 CCNC(=O)CCc1ccc(s1)C WXVL_AK00476SA0110 [0,1,0,0,0,0|1,1,0]=3 155 B13R1.41 CCNC(=O)CCc1ccc(s1)C WXVL_AK00476SA0110 [0,1,0,0,0,0|1,1,0]=3 156 B13R1.66 CCNC(=O)C(C)Cc1ccco1 WXVL_AK00476SA2637 [0,1,0,0,0,0|1,0,0]=2 157 B13R1.66 CCNC(=O)C(C)Cc1ccco1 WXVL_AK00476SA2637 [0,1,0,0,0,0|1,0,0]=2 158 B13R1.66 CCNC(=O)C(C)Cn1cccn1 WXVL_AK00476SA0321 [0,1,0,0,0,0|3,0,0]=4 159 B13R1.66 CCNC(=O)C(C)Cn1cccn1 WXVL_AK00476SA0321 [0,1,0,0,0,0|3,0,0]=4 160 B13R1.66 CCOC(=O)C(=O)Nc1ccno1 WXVL_AF0588SB4144 [0,1,0,0,0,0|2,0,1]=4 161 B13R1.66 CCOC(=O)C(=O)Nc1ccno1 WXVL_AF0588SB4144 [0,1,0,0,0,0|2,0,1]=4 162 B13R1.66 CCOC(=O)C(=O)Nc1ncco1 WXVL_AF0235SB4144 [0,1,0,0,0,0|2,0,1]=4 163 B13R1.66 CCOC(=O)C(=O)Nc1ncco1 WXVL_AF0235SB4144 [0,1,0,0,0,0|2,0,1]=4 164 B13R1.153 C#CCCC(=O)NCc1ccco1 WXVL_AK0010SB2189 [0,1,0,0,0,0|2,0,1]=4 165 B13R1.153 C#CCCC(=O)NCc1ccco1 WXVL_AK0010SB2189 [0,1,0,0,0,0|2,0,1]=4 166 B13R1.153 C=CCCC(=O)NCc1ccco1 WXVL_AK0010SB1035 [0,1,0,0,0,0|2,0,1]=4 167 B13R1.153 C=CCCC(=O)NCc1ccco1 WXVL_AK0010SB1035 [0,1,0,0,0,0|2,0,1]=4 168 B13R1.153 C=CCNC(=O)CCc1ccc[nH]1 WXVL_AK00561SA0009 [0,1,0,0,0,0|2,0,1]=4 169 B13R1.153 C=CCNC(=O)CCc1ccc[nH]1 WXVL_AK00561SA0009 [0,1,0,0,0,0|2,0,1]=4 170 B13R1.153 C=CCNC(=O)CCc1ccco1 WXVL_AK00561SA0167 [0,1,0,0,0,0|1,0,1]=3 171 B13R1.153 C=CCNC(=O)CCc1ccco1 WXVL_AK00561SA0167 [0,1,0,0,0,0|1,0,1]=3 172 B13R1.153 C=CCNC(=O)CCc1cccs1 WXVL_AK00561SA0303 [0,1,0,0,0,0|1,1,1]=4 173 B13R1.153 C=CCNC(=O)CCc1cccs1 WXVL_AK00561SA0303 [0,1,0,0,0,0|1,1,1]=4 174 B13R1.153 CCCNC(=O)/C=C/c1ccco1 WXVL_AK00504SA0180 [0,1,0,0,0,0|1,0,2]=4 175 B13R1.153 CCCNC(=O)/C=C/c1ccco1 WXVL_AK00504SA0180 [0,1,0,0,0,0|1,0,2]=4 176 B13R1.153 CCCNC(=O)CCc1ccc[nH]1 WXVL_AK00504SA0009 [0,1,0,0,0,0|2,0,0]=3 177 B13R1.153 CCCNC(=O)CCc1ccc[nH]1 WXVL_AK00504SA0009 [0,1,0,0,0,0|2,0,0]=3 178 B13R1.153 CCCNC(=O)CCc1ccco1 WXVL_AK00504SA0167 [0,1,0,0,0,0|1,0,0]=2 179 B13R1.153 CCCNC(=O)CCc1ccco1 WXVL_AK00504SA0167 [0,1,0,0,0,0|1,0,0]=2 180 B13R1.153 CCCNC(=O)CCc1cccs1 WXVL_AK00504SA0303 [0,1,0,0,0,0|1,1,0]=3 181 B13R1.153 CCCNC(=O)CCc1cccs1 WXVL_AK00504SA0303 [0,1,0,0,0,0|1,1,0]=3 182 B13R1.153 CCCNC(=O)CCc1ccoc1 WXVL_AK00504SA3178 [0,1,0,0,0,0|3,0,0]=4 183 B13R1.153 CCCNC(=O)CCc1ccoc1 WXVL_AK00504SA3178 [0,1,0,0,0,0|3,0,0]=4 184 B13R1.153 CCCNC(=O)CCc1ccsc1 WXVL_AK00504SA0008 [0,1,0,0,0,0|3,0,0]=4 185 B13R1.153 CCCNC(=O)CCc1ccsc1 WXVL_AK00504SA0008 [0,1,0,0,0,0|3,0,0]=4 186 B13R1.153 CCCNC(=O)CCc1cnc[nH]1 WXVL_AK00504SA0100 [0,1,0,0,0,0|3,0,0]=4 187 B13R1.153 CCCNC(=O)CCc1cnc[nH]1 WXVL_AK00504SA0100 [0,1,0,0,0,0|3,0,0]=4 188 B13R1.153 CCCNC(=O)CCc1ncc[nH]1 WXVL_AK00504SA0555 [0,1,0,0,0,0|3,0,0]=4 189 B13R1.153 CCCNC(=O)CCc1ncc[nH]1 WXVL_AK00504SA0555 [0,1,0,0,0,0|3,0,0]=4 190 B13R1.153 CCOCC(=O)NCc1cc[nH]n1 WXVL_AK00156SB0091 [0,1,0,0,0,0|3,0,0]=4 191 B13R1.153 CCOCC(=O)NCc1cc[nH]n1 WXVL_AK00156SB0091 [0,1,0,0,0,0|3,0,0]=4 192 B13R1.153 CCOCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0091 [0,1,0,0,0,0|2,0,0]=3 193 B13R1.153 CCOCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0091 [0,1,0,0,0,0|2,0,0]=3 194 B13R1.153 CCOCC(=O)NCc1ccco1 WXVL_AK0010SB0091 [0,1,0,0,0,0|1,0,0]=2 195 B13R1.153 CCOCC(=O)NCc1ccco1 WXVL_AK0010SB0091 [0,1,0,0,0,0|1,0,0]=2 196 B13R1.153 CCOCC(=O)NCc1cccs1 WXVL_AK0014SB0091 [0,1,0,0,0,0|1,1,0]=3 197 B13R1.153 CCOCC(=O)NCc1cccs1 WXVL_AK0014SB0091 [0,1,0,0,0,0|1,1,0]=3 198 B13R1.153 CCOCC(=O)NCc1ccn[nH]1 WXVL_AK0459SB0091 [0,1,0,0,0,0|3,0,0]=4 199 B13R1.153 CCOCC(=O)NCc1ccn[nH]1 WXVL_AK0459SB0091 [0,1,0,0,0,0|3,0,0]=4 200 B13R1.153 CCOCC(=O)NCc1ccoc1 WXVL_AK2033SB0091 [0,1,0,0,0,0|3,0,0]=4 201 B13R1.153 CCOCC(=O)NCc1ccoc1 WXVL_AK2033SB0091 [0,1,0,0,0,0|3,0,0]=4 202 B13R1.153 CCOCC(=O)NCc1ccsc1 WXVL_AK00174SB0091 [0,1,0,0,0,0|3,0,0]=4 203 B13R1.153 CCOCC(=O)NCc1ccsc1 WXVL_AK00174SB0091 [0,1,0,0,0,0|3,0,0]=4 204 B13R1.153 CCOCC(=O)NCc1cnc[nH]1 WXVL_AK00778SB0091 [0,1,0,0,0,0|3,0,0]=4 205 B13R1.153 CCOCC(=O)NCc1cnc[nH]1 WXVL_AK00778SB0091 [0,1,0,0,0,0|3,0,0]=4 206 B13R1.153 CCOCC(=O)NCc1cnco1 WXVL_AK1437SB0091 [0,1,0,0,0,0|2,0,0]=3 207 B13R1.153 CCOCC(=O)NCc1cnco1 WXVL_AK1437SB0091 [0,1,0,0,0,0|2,0,0]=3 208 B13R1.153 CCOCC(=O)NCc1cncs1 WXVL_AK0526SB0091 [0,1,0,0,0,0|2,1,0]=4 209 B13R1.153 CCOCC(=O)NCc1cncs1 WXVL_AK0526SB0091 [0,1,0,0,0,0|2,1,0]=4 210 B13R1.153 CCOCC(=O)NCc1cocn1 WXVL_AK00016SB0091 [0,1,0,0,0,0|3,0,0]=4 211 B13R1.153 CCOCC(=O)NCc1cocn1 WXVL_AK00016SB0091 [0,1,0,0,0,0|3,0,0]=4 212 B13R1.153 CCOCC(=O)NCc1cscn1 WXVL_AK0325SB0091 [0,1,0,0,0,0|3,0,0]=4 213 B13R1.153 CCOCC(=O)NCc1cscn1 WXVL_AK0325SB0091 [0,1,0,0,0,0|3,0,0]=4 214 B13R1.153 CCOCC(=O)NCc1nccs1 WXVL_AK0153SB0091 [0,1,0,0,0,0|2,1,0]=4 215 B13R1.153 CCOCC(=O)NCc1nccs1 WXVL_AK0153SB0091 [0,1,0,0,0,0|2,1,0]=4 216 B13R1.153 CCSCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0002 [0,1,0,0,0,0|2,1,0]=4 217 B13R1.153 CCSCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0002 [0,1,0,0,0,0|2,1,0]=4 218 B13R1.153 CCSCC(=O)NCc1ccco1 WXVL_AK0010SB0002 [0,1,0,0,0,0|1,1,0]=3 219 B13R1.153 CCSCC(=O)NCc1ccco1 WXVL_AK0010SB0002 [0,1,0,0,0,0|1,1,0]=3 220 B13R1.153 CCSCC(=O)NCc1cccs1 WXVL_AK0014SB0002 [0,1,0,0,0,0|1,2,0]=4 221 B13R1.153 CCSCC(=O)NCc1cccs1 WXVL_AK0014SB0002 [0,1,0,0,0,0|1,2,0]=4 222 B13R1.153 CCSCC(=O)NCc1cnco1 WXVL_AK1437SB0002 [0,1,0,0,0,0|2,1,0]=4 223 B13R1.153 CCSCC(=O)NCc1cnco1 WXVL_AK1437SB0002 [0,1,0,0,0,0|2,1,0]=4 224 B13R1.153 COCCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0156 [0,1,0,0,0,0|3,0,0]=4 225 B13R1.153 COCCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0156 [0,1,0,0,0,0|3,0,0]=4 226 B13R1.153 COCCC(=O)NCc1ccco1 WXVL_AK0010SB0156 [0,1,0,0,0,0|2,0,0]=3 227 B13R1.153 COCCC(=O)NCc1ccco1 WXVL_AK0010SB0156 [0,1,0,0,0,0|2,0,0]=3 228 B13R1.153 COCCC(=O)NCc1cccs1 WXVL_AK0014SB0156 [0,1,0,0,0,0|2,1,0]=4 229 B13R1.153 COCCC(=O)NCc1cccs1 WXVL_AK0014SB0156 [0,1,0,0,0,0|2,1,0]=4 230 B13R1.153 COCCC(=O)NCc1cnco1 WXVL_AK1437SB0156 [0,1,0,0,0,0|3,0,0]=4 231 B13R1.153 COCCC(=O)NCc1cnco1 WXVL_AK1437SB0156 [0,1,0,0,0,0|3,0,0]=4 232 B13R1.153 CSCCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0361 [0,1,0,0,0,0|3,0,0]=4 233 B13R1.153 CSCCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0361 [0,1,0,0,0,0|3,0,0]=4 234 B13R1.153 CSCCC(=O)NCc1ccco1 WXVL_AK0010SB0361 [0,1,0,0,0,0|2,0,0]=3 235 B13R1.153 CSCCC(=O)NCc1ccco1 WXVL_AK0010SB0361 [0,1,0,0,0,0|2,0,0]=3 236 B13R1.153 CSCCC(=O)NCc1cccs1 WXVL_AK0014SB0361 [0,1,0,0,0,0|2,1,0]=4 237 B13R1.153 CSCCC(=O)NCc1cccs1 WXVL_AK0014SB0361 [0,1,0,0,0,0|2,1,0]=4 238 B13R1.153 CSCCC(=O)NCc1cnco1 WXVL_AK1437SB0361 [0,1,0,0,0,0|3,0,0]=4 239 B13R1.153 CSCCC(=O)NCc1cnco1 WXVL_AK1437SB0361 [0,1,0,0,0,0|3,0,0]=4 240 B13R1.153 N#CCNC(=O)CCc1ccc[nH]1 WXVL_AK0683SA0009 [0,1,0,0,0,0|2,0,1]=4 241 B13R1.153 N#CCNC(=O)CCc1ccc[nH]1 WXVL_AK0683SA0009 [0,1,0,0,0,0|2,0,1]=4 242 B13R1.153 N#CCNC(=O)CCc1ccco1 WXVL_AK0683SA0167 [0,1,0,0,0,0|1,0,1]=3 243 B13R1.153 N#CCNC(=O)CCc1ccco1 WXVL_AK0683SA0167 [0,1,0,0,0,0|1,0,1]=3 244 B13R1.153 N#CCNC(=O)CCc1cccs1 WXVL_AK0683SA0303 [0,1,0,0,0,0|1,1,1]=4 245 B13R1.153 N#CCNC(=O)CCc1cccs1 WXVL_AK0683SA0303 [0,1,0,0,0,0|1,1,1]=4 246 B13R1.153 O=C(/C=C/CBr)NCc1ccco1 WXVL_AK0010SB0424 [0,1,0,0,0,0|2,0,1]=4 247 B13R1.153 O=C(/C=C/CBr)NCc1ccco1 WXVL_AK0010SB0424 [0,1,0,0,0,0|2,0,1]=4 248 B13R1.153 O=C(/C=C/c1ccco1)NCCF WXVL_AK00466SA0180 [0,1,0,0,0,0|1,0,2]=4 249 B13R1.153 O=C(/C=C/c1ccco1)NCCF WXVL_AK00466SA0180 [0,1,0,0,0,0|1,0,2]=4 250 B13R1.153 O=C(CCc1ccc[nH]1)NCCF WXVL_AK00466SA0009 [0,1,0,0,0,0|2,0,0]=3 251 B13R1.153 O=C(CCc1ccc[nH]1)NCCF WXVL_AK00466SA0009 [0,1,0,0,0,0|2,0,0]=3 252 B13R1.153 O=C(CCc1ccco1)NCCF WXVL_AK00466SA0167 [0,1,0,0,0,0|1,0,0]=2 253 B13R1.153 O=C(CCc1ccco1)NCCF WXVL_AK00466SA0167 [0,1,0,0,0,0|1,0,0]=2 254 B13R1.153 O=C(CCc1cccs1)NCCF WXVL_AK00466SA0303 [0,1,0,0,0,0|1,1,0]=3 255 B13R1.153 O=C(CCc1cccs1)NCCF WXVL_AK00466SA0303 [0,1,0,0,0,0|1,1,0]=3 256 B13R1.153 O=C(CCc1ccoc1)NCCF WXVL_AK00466SA3178 [0,1,0,0,0,0|3,0,0]=4 257 B13R1.153 O=C(CCc1ccoc1)NCCF WXVL_AK00466SA3178 [0,1,0,0,0,0|3,0,0]=4 258 B13R1.153 O=C(CCc1ccsc1)NCCF WXVL_AK00466SA0008 [0,1,0,0,0,0|3,0,0]=4 259 B13R1.153 O=C(CCc1ccsc1)NCCF WXVL_AK00466SA0008 [0,1,0,0,0,0|3,0,0]=4 260 B13R1.153 O=C(CCc1cnc[nH]1)NCCF WXVL_AK00466SA0100 [0,1,0,0,0,0|3,0,0]=4 261 B13R1.153 O=C(CCc1cnc[nH]1)NCCF WXVL_AK00466SA0100 [0,1,0,0,0,0|3,0,0]=4 262 B13R1.153 O=C(CCc1ncc[nH]1)NCCF WXVL_AK00466SA0555 [0,1,0,0,0,0|3,0,0]=4 263 B13R1.153 O=C(CCc1ncc[nH]1)NCCF WXVL_AK00466SA0555 [0,1,0,0,0,0|3,0,0]=4 264 B13R1.153 O=C(NCCCl)NCc1ccc[nH]1 WXVL_AK00759YV0092 [0,1,0,0,0,0|3,0,0]=4 265 B13R1.153 O=C(NCCCl)NCc1ccc[nH]1 WXVL_AK00759YV0092 [0,1,0,0,0,0|3,0,0]=4 266 B13R1.153 O=C(NCCCl)NCc1ccco1 WXVL_AK0010YV0092 [0,1,0,0,0,0|2,0,0]=3 267 B13R1.153 O=C(NCCCl)NCc1ccco1 WXVL_AK0010YV0092 [0,1,0,0,0,0|2,0,0]=3 268 B13R1.153 O=C(NCCCl)NCc1cccs1 WXVL_AK0014YV0092 [0,1,0,0,0,0|2,1,0]=4 269 B13R1.153 O=C(NCCCl)NCc1cccs1 WXVL_AK0014YV0092 [0,1,0,0,0,0|2,1,0]=4 270 B13R1.153 O=C(NCCCl)NCc1cnco1 WXVL_AK1437YV0092 [0,1,0,0,0,0|3,0,0]=4 271 B13R1.153 O=C(NCCCl)NCc1cnco1 WXVL_AK1437YV0092 [0,1,0,0,0,0|3,0,0]=4 272 B13R1.444 CCCC(=O)NCc1cccn1C WXVL_AK0499SB0073 [0,1,0,0,0,0|3,0,0]=4 273 B13R1.444 CCCC(=O)NCc1cccn1C WXVL_AK0499SB0073 [0,1,0,0,0,0|3,0,0]=4 274 B13R1.444 CCCC(=O)NCc1sccc1Cl WXVL_AK4332SB0073 [0,1,0,0,0,0|2,1,0]=4 275 B13R1.444 CCCC(=O)NCc1sccc1Cl WXVL_AK4332SB0073 [0,1,0,0,0,0|2,1,0]=4 276 B13R1.554 C/C=C(\C)/C(=O)NCc1ccco1 WXVL_AK0010SB0343 [0,1,0,0,0,0|2,0,1]=4 277 B13R1.554 C/C=C(\C)/C(=O)NCc1ccco1 WXVL_AK0010SB0343 [0,1,0,0,0,0|2,0,1]=4 278 B13R1.554 CCC(=O)C(=O)NCc1ccc[nH]1 WXVL_AK00759SB0344 [0,1,0,0,0,0|3,0,0]=4 279 B13R1.554 CCC(=O)C(=O)NCc1ccc[nH]1 WXVL_AK00759SB0344 [0,1,0,0,0,0|3,0,0]=4 280 B13R1.554 CCC(=O)C(=O)NCc1ccco1 WXVL_AK0010SB0344 [0,1,0,0,0,0|2,0,0]=3 281 B13R1.554 CCC(=O)C(=O)NCc1ccco1 WXVL_AK0010SB0344 [0,1,0,0,0,0|2,0,0]=3 282 B13R1.554 CCC(=O)C(=O)NCc1cccs1 WXVL_AK0014SB0344 [0,1,0,0,0,0|2,1,0]=4 283 B13R1.554 CCC(=O)C(=O)NCc1cccs1 WXVL_AK0014SB0344 [0,1,0,0,0,0|2,1,0]=4 284 B13R1.554 CCC(=O)C(=O)NCc1cnco1 WXVL_AK1437SB0344 [0,1,0,0,0,0|3,0,0]=4 285 B13R1.554 CCC(=O)C(=O)NCc1cnco1 WXVL_AK1437SB0344 [0,1,0,0,0,0|3,0,0]=4 286 B13R1.554 CCC(C)C(=O)NCc1ccc[nH]1 WXVL_AK00759SB0054 [0,1,0,0,0,0|3,0,0]=4 287 B13R1.554 CCC(C)C(=O)NCc1ccc[nH]1 WXVL_AK00759SB0054 [0,1,0,0,0,0|3,0,0]=4 288 B13R1.554 CCC(C)C(=O)NCc1ccco1 WXVL_AK0010SB0054 [0,1,0,0,0,0|2,0,0]=3 289 B13R1.554 CCC(C)C(=O)NCc1ccco1 WXVL_AK0010SB0054 [0,1,0,0,0,0|2,0,0]=3 290 B13R1.554 CCC(C)C(=O)NCc1cccs1 WXVL_AK0014SB0054 [0,1,0,0,0,0|2,1,0]=4 291 B13R1.554 CCC(C)C(=O)NCc1cccs1 WXVL_AK0014SB0054 [0,1,0,0,0,0|2,1,0]=4 292 B13R1.554 CCC(C)C(=O)NCc1cnco1 WXVL_AK1437SB0054 [0,1,0,0,0,0|3,0,0]=4 293 B13R1.554 CCC(C)C(=O)NCc1cnco1 WXVL_AK1437SB0054 [0,1,0,0,0,0|3,0,0]=4 294 B13R1.554 CC[C@@H](C)C(=O)NCc1ccc[nH]1 WXVL_AK00759SB00054 [0,1,0,0,0,0|3,0,0]=4 295 B13R1.554 CC[C@@H](C)C(=O)NCc1ccc[nH]1 WXVL_AK00759SB00054 [0,1,0,0,0,0|3,0,0]=4 296 B13R1.554 CC[C@@H](C)C(=O)NCc1ccco1 WXVL_AK0010SB00054 [0,1,0,0,0,0|2,0,0]=3 297 B13R1.554 CC[C@@H](C)C(=O)NCc1ccco1 WXVL_AK0010SB00054 [0,1,0,0,0,0|2,0,0]=3 298 B13R1.554 CC[C@@H](C)C(=O)NCc1cccs1 WXVL_AK0014SB00054 [0,1,0,0,0,0|2,1,0]=4 299 B13R1.554 CC[C@@H](C)C(=O)NCc1cccs1 WXVL_AK0014SB00054 [0,1,0,0,0,0|2,1,0]=4 300 B13R1.554 CC[C@@H](C)C(=O)NCc1cnco1 WXVL_AK1437SB00054 [0,1,0,0,0,0|3,0,0]=4 301 B13R1.554 CC[C@@H](C)C(=O)NCc1cnco1 WXVL_AK1437SB00054 [0,1,0,0,0,0|3,0,0]=4 302 B13R1.554 CC[C@H](O)C(=O)NCc1ccc[nH]1 WXVL_AK00759SB3573 [0,1,0,0,0,0|3,0,0]=4 303 B13R1.554 CC[C@H](O)C(=O)NCc1ccc[nH]1 WXVL_AK00759SB3573 [0,1,0,0,0,0|3,0,0]=4 304 B13R1.554 CC[C@H](O)C(=O)NCc1ccco1 WXVL_AK0010SB3573 [0,1,0,0,0,0|2,0,0]=3 305 B13R1.554 CC[C@H](O)C(=O)NCc1ccco1 WXVL_AK0010SB3573 [0,1,0,0,0,0|2,0,0]=3 306 B13R1.554 CC[C@H](O)C(=O)NCc1cccs1 WXVL_AK0014SB3573 [0,1,0,0,0,0|2,1,0]=4 307 B13R1.554 CC[C@H](O)C(=O)NCc1cccs1 WXVL_AK0014SB3573 [0,1,0,0,0,0|2,1,0]=4 308 B13R1.554 CC[C@H](O)C(=O)NCc1cnco1 WXVL_AK1437SB3573 [0,1,0,0,0,0|3,0,0]=4 309 B13R1.554 CC[C@H](O)C(=O)NCc1cnco1 WXVL_AK1437SB3573 [0,1,0,0,0,0|3,0,0]=4 310 B13R1.554 CO[C@H](C)C(=O)NCc1ccco1 WXVL_AK0010SB2926 [0,1,0,0,0,0|3,0,0]=4 311 B13R1.554 CO[C@H](C)C(=O)NCc1ccco1 WXVL_AK0010SB2926 [0,1,0,0,0,0|3,0,0]=4 312 B13R1.593 CC(=CC(=O)NCc1ccco1)C WXVL_AK0010SB0342 [0,1,0,0,0,0|2,0,1]=4 313 B13R1.593 CC(=CC(=O)NCc1ccco1)C WXVL_AK0010SB0342 [0,1,0,0,0,0|2,0,1]=4 314 B13R1.593 CC(C)CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0063 [0,1,0,0,0,0|3,0,0]=4 315 B13R1.593 CC(C)CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0063 [0,1,0,0,0,0|3,0,0]=4 316 B13R1.593 CC(C)CC(=O)NCc1ccco1 WXVL_AK0010SB0063 [0,1,0,0,0,0|2,0,0]=3 317 B13R1.593 CC(C)CC(=O)NCc1ccco1 WXVL_AK0010SB0063 [0,1,0,0,0,0|2,0,0]=3 318 B13R1.593 CC(C)CC(=O)NCc1cccs1 WXVL_AK0014SB0063 [0,1,0,0,0,0|2,1,0]=4 319 B13R1.593 CC(C)CC(=O)NCc1cccs1 WXVL_AK0014SB0063 [0,1,0,0,0,0|2,1,0]=4 320 B13R1.593 CC(C)CC(=O)NCc1cnco1 WXVL_AK1437SB0063 [0,1,0,0,0,0|3,0,0]=4 321 B13R1.593 CC(C)CC(=O)NCc1cnco1 WXVL_AK1437SB0063 [0,1,0,0,0,0|3,0,0]=4 322 B13R1.593 CC(C)NC(=O)/C=C/c1ccco1 WXVL_AK0030SA0180 [0,1,0,0,0,0|1,0,2]=4 323 B13R1.593 CC(C)NC(=O)/C=C/c1ccco1 WXVL_AK0030SA0180 [0,1,0,0,0,0|1,0,2]=4 324 B13R1.593 CC(C)NC(=O)CCc1ccc[nH]1 WXVL_AK0030SA0009 [0,1,0,0,0,0|2,0,0]=3 325 B13R1.593 CC(C)NC(=O)CCc1ccc[nH]1 WXVL_AK0030SA0009 [0,1,0,0,0,0|2,0,0]=3 326 B13R1.593 CC(C)NC(=O)CCc1ccco1 WXVL_AK0030SA0167 [0,1,0,0,0,0|1,0,0]=2 327 B13R1.593 CC(C)NC(=O)CCc1ccco1 WXVL_AK0030SA0167 [0,1,0,0,0,0|1,0,0]=2 328 B13R1.593 CC(C)NC(=O)CCc1cccs1 WXVL_AK0030SA0303 [0,1,0,0,0,0|1,1,0]=3 329 B13R1.593 CC(C)NC(=O)CCc1cccs1 WXVL_AK0030SA0303 [0,1,0,0,0,0|1,1,0]=3 330 B13R1.593 CC(C)NC(=O)CCc1ccoc1 WXVL_AK0030SA3178 [0,1,0,0,0,0|3,0,0]=4 331 B13R1.593 CC(C)NC(=O)CCc1ccoc1 WXVL_AK0030SA3178 [0,1,0,0,0,0|3,0,0]=4 332 B13R1.593 CC(C)NC(=O)CCc1ccsc1 WXVL_AK0030SA0008 [0,1,0,0,0,0|3,0,0]=4 333 B13R1.593 CC(C)NC(=O)CCc1ccsc1 WXVL_AK0030SA0008 [0,1,0,0,0,0|3,0,0]=4 334 B13R1.593 CC(C)NC(=O)CCc1cnc[nH]1 WXVL_AK0030SA0100 [0,1,0,0,0,0|3,0,0]=4 335 B13R1.593 CC(C)NC(=O)CCc1cnc[nH]1 WXVL_AK0030SA0100 [0,1,0,0,0,0|3,0,0]=4 336 B13R1.593 CC(C)NC(=O)CCc1ncc[nH]1 WXVL_AK0030SA0555 [0,1,0,0,0,0|3,0,0]=4 337 B13R1.593 CC(C)NC(=O)CCc1ncc[nH]1 WXVL_AK0030SA0555 [0,1,0,0,0,0|3,0,0]=4 338 B13R1.593 CC(O)CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB3643 [0,1,0,0,0,0|3,0,0]=4 339 B13R1.593 CC(O)CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB3643 [0,1,0,0,0,0|3,0,0]=4 340 B13R1.593 CC(O)CC(=O)NCc1ccco1 WXVL_AK0010SB3643 [0,1,0,0,0,0|2,0,0]=3 341 B13R1.593 CC(O)CC(=O)NCc1ccco1 WXVL_AK0010SB3643 [0,1,0,0,0,0|2,0,0]=3 342 B13R1.593 CC(O)CC(=O)NCc1cccs1 WXVL_AK0014SB3643 [0,1,0,0,0,0|2,1,0]=4 343 B13R1.593 CC(O)CC(=O)NCc1cccs1 WXVL_AK0014SB3643 [0,1,0,0,0,0|2,1,0]=4 344 B13R1.593 CC(O)CC(=O)NCc1cnco1 WXVL_AK1437SB3643 [0,1,0,0,0,0|3,0,0]=4 345 B13R1.593 CC(O)CC(=O)NCc1cnco1 WXVL_AK1437SB3643 [0,1,0,0,0,0|3,0,0]=4 346 B13R1.593 CN(C)CC(=O)NCc1ccco1 WXVL_AK0010SB0085 [0,1,0,0,0,0|3,0,0]=4 347 B13R1.593 CN(C)CC(=O)NCc1ccco1 WXVL_AK0010SB0085 [0,1,0,0,0,0|3,0,0]=4 348 B13R1.1330 CCCS(=O)(=O)NCc1ccco1 WXVL_AK0010HU0030 [0,1,0,0,0,0|3,0,0]=4 349 B13R1.1330 CCCS(=O)(=O)NCc1ccco1 WXVL_AK0010HU0030 [0,1,0,0,0,0|3,0,0]=4 350 B13R2.6970 O=C(NCc1ccc[nH]1)C2CC2 WXVL_AK00759SB0038 [0,0,0,1,0,0|3,0,0]=4 351 B13R2.6970 O=C(NCc1ccc[nH]1)C2CC2 WXVL_AK00759SB0038 [0,0,0,1,0,0|3,0,0]=4 352 B13R2.6970 O=C(NCc1ccco1)C2CC2 WXVL_AK0010SB0038 [0,0,0,1,0,0|2,0,0]=3 353 B13R2.6970 O=C(NCc1ccco1)C2CC2 WXVL_AK0010SB0038 [0,0,0,1,0,0|2,0,0]=3 354 B13R2.6970 O=C(NCc1cccs1)C2CC2 WXVL_AK0014SB0038 [0,0,0,1,0,0|2,1,0]=4 355 B13R2.6970 O=C(NCc1cccs1)C2CC2 WXVL_AK0014SB0038 [0,0,0,1,0,0|2,1,0]=4 356 B13R2.6970 O=C(NCc1cnco1)C2CC2 WXVL_AK1437SB0038 [0,0,0,1,0,0|3,0,0]=4 357 B13R2.6970 O=C(NCc1cnco1)C2CC2 WXVL_AK1437SB0038 [0,0,0,1,0,0|3,0,0]=4 358 B11R1.30 CCCC(=O)Nc1ccno1 WXVL_AF0588SB0073 [0,0,0,0,1,0|3,0,0]=4 359 B11R1.30 CCCC(=O)Nc1ccno1 WXVL_AF0588SB0073 [0,0,0,0,1,0|3,0,0]=4 360 B11R1.30 CCCC(=O)Nc1ncco1 WXVL_AF0235SB0073 [0,0,0,0,1,0|3,0,0]=4 361 B11R1.30 CCCC(=O)Nc1ncco1 WXVL_AF0235SB0073 [0,0,0,0,1,0|3,0,0]=4 362 B11R1.30 CCNC(=O)Cc1cccs1 WXVL_AK00476SA0018 [0,0,0,0,1,0|1,1,0]=3 363 B11R1.30 CCNC(=O)Cc1cccs1 WXVL_AK00476SA0018 [0,0,0,0,1,0|1,1,0]=3 364 B11R1.30 CCNC(=O)Cc1ccn[nH]1 WXVL_AK00476SA00008 [0,0,0,0,1,0|3,0,0]=4 365 B11R1.30 CCNC(=O)Cc1ccn[nH]1 WXVL_AK00476SA00008 [0,0,0,0,1,0|3,0,0]=4 366 B11R1.30 CCNC(=O)Cc1ccsc1 WXVL_AK00476SA0020 [0,0,0,0,1,0|3,0,0]=4 367 B11R1.30 CCNC(=O)Cc1ccsc1 WXVL_AK00476SA0020 [0,0,0,0,1,0|3,0,0]=4 368 B11R1.30 CCNC(=O)Cc1cscn1 WXVL_AK00476SA0012 [0,0,0,0,1,0|3,0,0]=4 369 B11R1.30 CCNC(=O)Cc1cscn1 WXVL_AK00476SA0012 [0,0,0,0,1,0|3,0,0]=4 370 B11R1.30 CCNC(=O)Cn1cccn1 WXVL_AK00476SA0030 [0,0,0,0,1,0|3,0,0]=4 371 B11R1.30 CCNC(=O)Cn1cccn1 WXVL_AK00476SA0030 [0,0,0,0,1,0|3,0,0]=4 372 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [0,0,0,0,0,1|3,0,0]=4 373 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [0,0,0,0,0,1|3,0,0]=4 374 B13R1.42 CCCC(=O)NCc1ccccn1 WXVL_AK0018SB0073 [0,0,0,0,0,1|3,0,0]=4 375 B13R1.42 CCCC(=O)NCc1ccccn1 WXVL_AK0018SB0073 [0,0,0,0,0,1|3,0,0]=4 376 B13R1.42 CCCC(=O)NCc1cccnc1 WXVL_AK0020SB0073 [0,0,0,0,0,1|3,0,0]=4 377 B13R1.42 CCCC(=O)NCc1cccnc1 WXVL_AK0020SB0073 [0,0,0,0,0,1|3,0,0]=4 378 B13R1.42 CCCC(=O)NCc1ccncc1 WXVL_AK0021SB0073 [0,0,0,0,0,1|3,0,0]=4 379 B13R1.42 CCCC(=O)NCc1ccncc1 WXVL_AK0021SB0073 [0,0,0,0,0,1|3,0,0]=4 380 B13R1.42 CCCC(=O)NCc1ccncn1 WXVL_AK1356SB0073 [0,0,0,0,0,1|3,0,0]=4 381 B13R1.42 CCCC(=O)NCc1ccncn1 WXVL_AK1356SB0073 [0,0,0,0,0,1|3,0,0]=4 382 B13R1.42 CCCC(=O)NCc1cnccn1 WXVL_AK00262SB0073 [0,0,0,0,0,1|3,0,0]=4 383 B13R1.42 CCCC(=O)NCc1cnccn1 WXVL_AK00262SB0073 [0,0,0,0,0,1|3,0,0]=4 384 B13R1.42 CCCC(=O)NCc1ncccn1 WXVL_AK0279SB0073 [0,0,0,0,0,1|3,0,0]=4 385 B13R1.42 CCCC(=O)NCc1ncccn1 WXVL_AK0279SB0073 [0,0,0,0,0,1|3,0,0]=4 386 B13R1.42 CCNC(=O)CCc1ccccc1 WXVL_AK00476SB0067 [0,0,0,0,0,1|2,0,0]=3 387 B13R1.42 CCNC(=O)CCc1ccccc1 WXVL_AK00476SB0067 [0,0,0,0,0,1|2,0,0]=3 388 B13R1.42 CCNC(=O)CCc1ccccn1 WXVL_AK00476SA0316 [0,0,0,0,0,1|2,0,0]=3 389 B13R1.42 CCNC(=O)CCc1ccccn1 WXVL_AK00476SA0316 [0,0,0,0,0,1|2,0,0]=3 390 B13R1.42 CCNC(=O)CCc1cccnc1 WXVL_AK00476SA0031 [0,0,0,0,0,1|2,0,0]=3 391 B13R1.42 CCNC(=O)CCc1cccnc1 WXVL_AK00476SA0031 [0,0,0,0,0,1|2,0,0]=3 392 B13R1.42 CCNC(=O)CCc1cnccn1 WXVL_AK00476SA2354 [0,0,0,0,0,1|2,0,0]=3 393 B13R1.42 CCNC(=O)CCc1cnccn1 WXVL_AK00476SA2354 [0,0,0,0,0,1|2,0,0]=3 394 B13R1.42 CCNC(=O)CCc1cncnc1 WXVL_AK00476SA0013 [0,0,0,0,0,1|3,0,0]=4 395 B13R1.42 CCNC(=O)CCc1cncnc1 WXVL_AK00476SA0013 [0,0,0,0,0,1|3,0,0]=4 396 B13R1.42 CCNC(=O)COc1ccccc1 WXVL_AK00476SB0086 [0,0,0,0,0,1|3,0,0]=4 397 B13R1.42 CCNC(=O)COc1ccccc1 WXVL_AK00476SB0086 [0,0,0,0,0,1|3,0,0]=4 398 B13R1.42 CCNC(=O)COc1cccnc1 WXVL_AK00476SA0051 [0,0,0,0,0,1|3,0,0]=4 399 B13R1.42 CCNC(=O)COc1cccnc1 WXVL_AK00476SA0051 [0,0,0,0,0,1|3,0,0]=4 400 B13R1.42 CCNC(=O)CSc1ccccc1 WXVL_AK00476SB0113 [0,0,0,0,0,1|3,0,0]=4 401 B13R1.42 CCNC(=O)CSc1ccccc1 WXVL_AK00476SB0113 [0,0,0,0,0,1|3,0,0]=4 402 B13R1.42 CCNC(=O)CSc1ccncc1 WXVL_AK00476SA0055 [0,0,0,0,0,1|3,0,0]=4 403 B13R1.42 CCNC(=O)CSc1ccncc1 WXVL_AK00476SA0055 [0,0,0,0,0,1|3,0,0]=4 404 B13R1.42 CCNC(=O)CSc1ncccn1 WXVL_AK00476SA0022 [0,0,0,0,0,1|3,0,0]=4 405 B13R1.42 CCNC(=O)CSc1ncccn1 WXVL_AK00476SA0022 [0,0,0,0,0,1|3,0,0]=4 406 B13R1.404 C#CCC(=O)NCCc1ccco1 WXVL_AK0989SB3070 [0,0,0,0,0,1|1,0,2]=4 407 B13R1.404 C#CCC(=O)NCCc1ccco1 WXVL_AK0989SB3070 [0,0,0,0,0,1|1,0,2]=4 408 B13R1.404 C/C=C/C(=O)NCCc1ccco1 WXVL_AK0989SB0340 [0,0,0,0,0,1|1,0,1]=3 409 B13R1.404 C/C=C/C(=O)NCCc1ccco1 WXVL_AK0989SB0340 [0,0,0,0,0,1|1,0,1]=3 410 B13R1.404 C/C=C/C(=O)NCCc1cccs1 WXVL_AK0098SB0340 [0,0,0,0,0,1|1,1,1]=4 411 B13R1.404 C/C=C/C(=O)NCCc1cccs1 WXVL_AK0098SB0340 [0,0,0,0,0,1|1,1,1]=4 412 B13R1.404 C=CCC(=O)NCCc1ccco1 WXVL_AK0989SB2732 [0,0,0,0,0,1|1,0,2]=4 413 B13R1.404 C=CCC(=O)NCCc1ccco1 WXVL_AK0989SB2732 [0,0,0,0,0,1|1,0,2]=4 414 B13R1.404 CC#CC(=O)NCCc1ccco1 WXVL_AK0989SB1240 [0,0,0,0,0,1|1,0,1]=3 415 B13R1.404 CC#CC(=O)NCCc1ccco1 WXVL_AK0989SB1240 [0,0,0,0,0,1|1,0,1]=3 416 B13R1.404 CC#CC(=O)NCCc1cccs1 WXVL_AK0098SB1240 [0,0,0,0,0,1|1,1,1]=4 417 B13R1.404 CC#CC(=O)NCCc1cccs1 WXVL_AK0098SB1240 [0,0,0,0,0,1|1,1,1]=4 418 B13R1.404 CCCC(=O)NCCc1cc[nH]n1 WXVL_AK1576SB0073 [0,0,0,0,0,1|3,0,0]=4 419 B13R1.404 CCCC(=O)NCCc1cc[nH]n1 WXVL_AK1576SB0073 [0,0,0,0,0,1|3,0,0]=4 420 B13R1.404 CCCC(=O)NCCc1ccco1 WXVL_AK0989SB0073 [0,0,0,0,0,1|1,0,0]=2 421 B13R1.404 CCCC(=O)NCCc1ccco1 WXVL_AK0989SB0073 [0,0,0,0,0,1|1,0,0]=2 422 B13R1.404 CCCC(=O)NCCc1cccs1 WXVL_AK0098SB0073 [0,0,0,0,0,1|1,1,0]=3 423 B13R1.404 CCCC(=O)NCCc1cccs1 WXVL_AK0098SB0073 [0,0,0,0,0,1|1,1,0]=3 424 B13R1.404 CCCC(=O)NCCc1ccsc1 WXVL_AK1342SB0073 [0,0,0,0,0,1|3,0,0]=4 425 B13R1.404 CCCC(=O)NCCc1ccsc1 WXVL_AK1342SB0073 [0,0,0,0,0,1|3,0,0]=4 426 B13R1.404 CCCC(=O)NCCc1cnc[nH]1 WXVL_AK0479SB0073 [0,0,0,0,0,1|3,0,0]=4 427 B13R1.404 CCCC(=O)NCCc1cnc[nH]1 WXVL_AK0479SB0073 [0,0,0,0,0,1|3,0,0]=4 428 B13R1.404 CCCC(=O)NCCc1ncc[nH]1 WXVL_AK00009SB0073 [0,0,0,0,0,1|3,0,0]=4 429 B13R1.404 CCCC(=O)NCCc1ncc[nH]1 WXVL_AK00009SB0073 [0,0,0,0,0,1|3,0,0]=4 430 B13R1.404 CCCC(=O)NCCc1nccs1 WXVL_AK0181SB0073 [0,0,0,0,0,1|2,1,0]=4 431 B13R1.404 CCCC(=O)NCCc1nccs1 WXVL_AK0181SB0073 [0,0,0,0,0,1|2,1,0]=4 432 B13R1.404 CCCC(=O)NCCn1cccc1 WXVL_AK1188SB0073 [0,0,0,0,0,1|3,0,0]=4 433 B13R1.404 CCCC(=O)NCCn1cccc1 WXVL_AK1188SB0073 [0,0,0,0,0,1|3,0,0]=4 434 B13R1.404 CCNC(=O)CCCn1cccc1 WXVL_AK00476SA2501 [0,0,0,0,0,1|3,0,0]=4 435 B13R1.404 CCNC(=O)CCCn1cccc1 WXVL_AK00476SA2501 [0,0,0,0,0,1|3,0,0]=4 436 B13R1.404 COCC(=O)NCCc1ccco1 WXVL_AK0989SB0090 [0,0,0,0,0,1|2,0,0]=3 437 B13R1.404 COCC(=O)NCCc1ccco1 WXVL_AK0989SB0090 [0,0,0,0,0,1|2,0,0]=3 438 B13R1.404 COCC(=O)NCCc1cccs1 WXVL_AK0098SB0090 [0,0,0,0,0,1|2,1,0]=4 439 B13R1.404 COCC(=O)NCCc1cccs1 WXVL_AK0098SB0090 [0,0,0,0,0,1|2,1,0]=4 440 B13R1.404 CSCC(=O)NCCc1ccco1 WXVL_AK0989SB1267 [0,0,0,0,0,1|2,0,0]=3 441 B13R1.404 CSCC(=O)NCCc1ccco1 WXVL_AK0989SB1267 [0,0,0,0,0,1|2,0,0]=3 442 B13R1.404 CSCC(=O)NCCc1cccs1 WXVL_AK0098SB1267 [0,0,0,0,0,1|2,1,0]=4 443 B13R1.404 CSCC(=O)NCCc1cccs1 WXVL_AK0098SB1267 [0,0,0,0,0,1|2,1,0]=4 444 B13R1.404 N#CCC(=O)NCCc1ccco1 WXVL_AK0989SB0057 [0,0,0,0,0,1|2,0,1]=4 445 B13R1.404 N#CCC(=O)NCCc1ccco1 WXVL_AK0989SB0057 [0,0,0,0,0,1|2,0,1]=4 446 B10R1.66 CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0150 [2,0,0,0,0,0|2,0,0]=4 447 B10R1.66 CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0150 [2,0,0,0,0,0|2,0,0]=4 448 B10R1.66 CC(=O)NCc1ccco1 WXVL_AK0010SB0150 [2,0,0,0,0,0|1,0,0]=3 449 B10R1.66 CC(=O)NCc1ccco1 WXVL_AK0010SB0150 [2,0,0,0,0,0|1,0,0]=3 450 B10R1.66 CC(=O)NCc1cccs1 WXVL_AK0014SB0150 [2,0,0,0,0,0|1,1,0]=4 451 B10R1.66 CC(=O)NCc1cccs1 WXVL_AK0014SB0150 [2,0,0,0,0,0|1,1,0]=4 452 B10R1.66 CC(=O)NCc1cnco1 WXVL_AK1437SB0150 [2,0,0,0,0,0|2,0,0]=4 453 B10R1.66 CC(=O)NCc1cnco1 WXVL_AK1437SB0150 [2,0,0,0,0,0|2,0,0]=4 454 B10R1.66 NC(=O)CCc1ccc[nH]1 WXVL_AK0084SA0009 [2,0,0,0,0,0|2,0,0]=4 455 B10R1.66 NC(=O)CCc1ccc[nH]1 WXVL_AK0084SA0009 [2,0,0,0,0,0|2,0,0]=4 456 B10R1.66 NC(=O)CCc1ccco1 WXVL_AK0084SA0167 [2,0,0,0,0,0|1,0,0]=3 457 B10R1.66 NC(=O)CCc1ccco1 WXVL_AK0084SA0167 [2,0,0,0,0,0|1,0,0]=3 458 B10R1.66 NC(=O)CCc1cccs1 WXVL_AK0084SA0303 [2,0,0,0,0,0|1,1,0]=4 459 B10R1.66 NC(=O)CCc1cccs1 WXVL_AK0084SA0303 [2,0,0,0,0,0|1,1,0]=4 460 B12R0.285 C/C=C/C(=O)NCCC(=O)OCC WXVL_AK0465SB0340 [0,1,1,0,0,0|2,0,0]=4 461 B12R0.285 C/C=C/C(=O)NCCC(=O)OCC WXVL_AK0465SB0340 [0,1,1,0,0,0|2,0,0]=4 462 B12R1.477 CCC(=O)NCCc1ccco1 WXVL_AK0989SB0064 [1,1,0,0,0,0|2,0,0]=4 463 B12R1.477 CCC(=O)NCCc1ccco1 WXVL_AK0989SB0064 [1,1,0,0,0,0|2,0,0]=4 464 B12R1.15 CCC(=O)NC(C)c1ccno1 WXVL_AK6536SB0064 [1,1,0,0,0,0|2,0,0]=4 465 B12R1.15 CCC(=O)NC(C)c1ccno1 WXVL_AK6536SB0064 [1,1,0,0,0,0|2,0,0]=4 466 B12R1.15 CCC(=O)N[C@@H](C)c1cccs1 WXVL_AK00667SB0064 [1,1,0,0,0,0|1,1,0]=4 467 B12R1.15 CCC(=O)N[C@@H](C)c1cccs1 WXVL_AK00667SB0064 [1,1,0,0,0,0|1,1,0]=4 468 B12R1.26 CCC(=O)NCc1cc(cs1)Br WXVL_AK00192SB0064 [1,1,0,0,0,0|1,1,0]=4 469 B12R1.26 CCC(=O)NCc1cc(cs1)Br WXVL_AK00192SB0064 [1,1,0,0,0,0|1,1,0]=4 470 B12R1.26 CCC(=O)NCc1cc(no1)Br WXVL_AK1427SB0064 [1,1,0,0,0,0|2,0,0]=4 471 B12R1.26 CCC(=O)NCc1cc(no1)Br WXVL_AK1427SB0064 [1,1,0,0,0,0|2,0,0]=4 472 B12R1.26 CCC(=O)NCc1cc(no1)C WXVL_AK1064SB0064 [1,1,0,0,0,0|2,0,0]=4 473 B12R1.26 CCC(=O)NCc1cc(no1)C WXVL_AK1064SB0064 [1,1,0,0,0,0|2,0,0]=4 474 B12R1.26 CCC(=O)NCc1ccc(s1)Br WXVL_AK2468SB0064 [1,1,0,0,0,0|1,1,0]=4 475 B12R1.26 CCC(=O)NCc1ccc(s1)Br WXVL_AK2468SB0064 [1,1,0,0,0,0|1,1,0]=4 476 B12R1.26 CCC(=O)NCc1ccc(s1)C WXVL_AK0276SB0064 [1,1,0,0,0,0|1,1,0]=4 477 B12R1.26 CCC(=O)NCc1ccc(s1)C WXVL_AK0276SB0064 [1,1,0,0,0,0|1,1,0]=4 478 B12R1.26 CCC(=O)NCc1ccc(s1)Cl WXVL_AK00166SB0064 [1,1,0,0,0,0|1,1,0]=4 479 B12R1.26 CCC(=O)NCc1ccc(s1)Cl WXVL_AK00166SB0064 [1,1,0,0,0,0|1,1,0]=4 480 B12R1.26 CNC(=O)CCc1cc(cs1)C WXVL_AK00442SA0123 [1,1,0,0,0,0|1,1,0]=4 481 B12R1.26 CNC(=O)CCc1cc(cs1)C WXVL_AK00442SA0123 [1,1,0,0,0,0|1,1,0]=4 482 B12R1.26 CNC(=O)CCc1ccc(s1)C WXVL_AK00442SA0110 [1,1,0,0,0,0|1,1,0]=4 483 B12R1.26 CNC(=O)CCc1ccc(s1)C WXVL_AK00442SA0110 [1,1,0,0,0,0|1,1,0]=4 484 B12R1.108 CNC(=O)C(C)Cc1ccco1 WXVL_AK00442SA2637 [1,1,0,0,0,0|1,0,0]=3 485 B12R1.108 CNC(=O)C(C)Cc1ccco1 WXVL_AK00442SA2637 [1,1,0,0,0,0|1,0,0]=3 486 B12R1.196 CCS(=O)(=O)NCc1ccco1 WXVL_AK0010HU0028 [1,1,0,0,0,0|2,0,0]=4 487 B12R1.196 CCS(=O)(=O)NCc1ccco1 WXVL_AK0010HU0028 [1,1,0,0,0,0|2,0,0]=4 488 B12R1.264 CC(=O)C(=O)NCc1ccco1 WXVL_AK0010SB0051 [1,1,0,0,0,0|1,0,1]=4 489 B12R1.264 CC(=O)C(=O)NCc1ccco1 WXVL_AK0010SB0051 [1,1,0,0,0,0|1,0,1]=4 490 B12R1.264 CC(C)C(=O)NCc1ccc[nH]1 WXVL_AK00759SB0052 [1,1,0,0,0,0|2,0,0]=4 491 B12R1.264 CC(C)C(=O)NCc1ccc[nH]1 WXVL_AK00759SB0052 [1,1,0,0,0,0|2,0,0]=4 492 B12R1.264 CC(C)C(=O)NCc1ccco1 WXVL_AK0010SB0052 [1,1,0,0,0,0|1,0,0]=3 493 B12R1.264 CC(C)C(=O)NCc1ccco1 WXVL_AK0010SB0052 [1,1,0,0,0,0|1,0,0]=3 494 B12R1.264 CC(C)C(=O)NCc1cccs1 WXVL_AK0014SB0052 [1,1,0,0,0,0|1,1,0]=4 495 B12R1.264 CC(C)C(=O)NCc1cccs1 WXVL_AK0014SB0052 [1,1,0,0,0,0|1,1,0]=4 496 B12R1.264 CC(C)C(=O)NCc1cnco1 WXVL_AK1437SB0052 [1,1,0,0,0,0|2,0,0]=4 497 B12R1.264 CC(C)C(=O)NCc1cnco1 WXVL_AK1437SB0052 [1,1,0,0,0,0|2,0,0]=4 498 B12R1.264 CC(S)C(=O)NCc1ccc[nH]1 WXVL_AK00759SB2708 [1,1,0,0,0,0|2,0,0]=4 499 B12R1.264 CC(S)C(=O)NCc1ccc[nH]1 WXVL_AK00759SB2708 [1,1,0,0,0,0|2,0,0]=4 500 B12R1.264 CC(S)C(=O)NCc1ccco1 WXVL_AK0010SB2708 [1,1,0,0,0,0|1,0,0]=3 501 B12R1.264 CC(S)C(=O)NCc1ccco1 WXVL_AK0010SB2708 [1,1,0,0,0,0|1,0,0]=3 502 B12R1.264 CC(S)C(=O)NCc1cccs1 WXVL_AK0014SB2708 [1,1,0,0,0,0|1,1,0]=4 503 B12R1.264 CC(S)C(=O)NCc1cccs1 WXVL_AK0014SB2708 [1,1,0,0,0,0|1,1,0]=4 504 B12R1.264 CC(S)C(=O)NCc1cnco1 WXVL_AK1437SB2708 [1,1,0,0,0,0|2,0,0]=4 505 B12R1.264 CC(S)C(=O)NCc1cnco1 WXVL_AK1437SB2708 [1,1,0,0,0,0|2,0,0]=4 506 B12R1.264 CN(C)C(=O)CCc1ccc[nH]1 WXVL_AN0032SA0009 [1,1,0,0,0,0|2,0,0]=4 507 B12R1.264 CN(C)C(=O)CCc1ccc[nH]1 WXVL_AN0032SA0009 [1,1,0,0,0,0|2,0,0]=4 508 B12R1.264 CN(C)C(=O)CCc1ccco1 WXVL_AN0032SA0167 [1,1,0,0,0,0|1,0,0]=3 509 B12R1.264 CN(C)C(=O)CCc1ccco1 WXVL_AN0032SA0167 [1,1,0,0,0,0|1,0,0]=3 510 B12R1.264 CN(C)C(=O)CCc1cccs1 WXVL_AN0032SA0303 [1,1,0,0,0,0|1,1,0]=4 511 B12R1.264 CN(C)C(=O)CCc1cccs1 WXVL_AN0032SA0303 [1,1,0,0,0,0|1,1,0]=4 512 B12R1.264 C[C@@H](O)C(=O)NCc1ccc[nH]1 WXVL_AK00759SB1085 [1,1,0,0,0,0|2,0,0]=4 513 B12R1.264 C[C@@H](O)C(=O)NCc1ccc[nH]1 WXVL_AK00759SB1085 [1,1,0,0,0,0|2,0,0]=4 514 B12R1.264 C[C@@H](O)C(=O)NCc1ccco1 WXVL_AK0010SB1085 [1,1,0,0,0,0|1,0,0]=3 515 B12R1.264 C[C@@H](O)C(=O)NCc1ccco1 WXVL_AK0010SB1085 [1,1,0,0,0,0|1,0,0]=3 516 B12R1.264 C[C@@H](O)C(=O)NCc1cccs1 WXVL_AK0014SB1085 [1,1,0,0,0,0|1,1,0]=4 517 B12R1.264 C[C@@H](O)C(=O)NCc1cccs1 WXVL_AK0014SB1085 [1,1,0,0,0,0|1,1,0]=4 518 B12R1.264 C[C@@H](O)C(=O)NCc1cnco1 WXVL_AK1437SB1085 [1,1,0,0,0,0|2,0,0]=4 519 B12R1.264 C[C@@H](O)C(=O)NCc1cnco1 WXVL_AK1437SB1085 [1,1,0,0,0,0|2,0,0]=4 520 B12R1.264 O=C(NCc1ccco1)C(F)F WXVL_AK0010SB0079 [1,1,0,0,0,0|2,0,0]=4 521 B12R1.264 O=C(NCc1ccco1)C(F)F WXVL_AK0010SB0079 [1,1,0,0,0,0|2,0,0]=4 522 B12R1.353 CCC(=O)NCc1cccn1C WXVL_AK0499SB0064 [1,1,0,0,0,0|2,0,0]=4 523 B12R1.353 CCC(=O)NCc1cccn1C WXVL_AK0499SB0064 [1,1,0,0,0,0|2,0,0]=4 524 B12R1.353 CCC(=O)NCc1sccc1Cl WXVL_AK4332SB0064 [1,1,0,0,0,0|1,1,0]=4 525 B12R1.353 CCC(=O)NCc1sccc1Cl WXVL_AK4332SB0064 [1,1,0,0,0,0|1,1,0]=4 526 B12R1.31 CCNC(=O)Cc1cc(cs1)Br WXVL_AK00476SA0181 [0,1,0,0,1,0|1,1,0]=4 527 B12R1.31 CCNC(=O)Cc1cc(cs1)Br WXVL_AK00476SA0181 [0,1,0,0,1,0|1,1,0]=4 528 B12R1.31 CCNC(=O)Cc1cc(no1)C WXVL_AK00476SA0039 [0,1,0,0,1,0|2,0,0]=4 529 B12R1.31 CCNC(=O)Cc1cc(no1)C WXVL_AK00476SA0039 [0,1,0,0,1,0|2,0,0]=4 530 B12R1.31 CCNC(=O)Cc1ccc(s1)Cl WXVL_AK00476SA0043 [0,1,0,0,1,0|1,1,0]=4 531 B12R1.31 CCNC(=O)Cc1ccc(s1)Cl WXVL_AK00476SA0043 [0,1,0,0,1,0|1,1,0]=4 532 B12R1.55 CCNC(=O)C(=O)c1ccco1 WXVL_AK00476SA0049 [0,1,0,0,1,0|1,0,1]=4 533 B12R1.55 CCNC(=O)C(=O)c1ccco1 WXVL_AK00476SA0049 [0,1,0,0,1,0|1,0,1]=4 534 B12R1.55 CCNC(=O)C(C)c1cccs1 WXVL_AK00476SA1203 [0,1,0,0,1,0|1,1,0]=4 535 B12R1.55 CCNC(=O)C(C)c1cccs1 WXVL_AK00476SA1203 [0,1,0,0,1,0|1,1,0]=4 536 B12R1.260 CC(C)NC(=O)Cc1cccs1 WXVL_AK0030SA0018 [0,1,0,0,1,0|1,1,0]=4 537 B12R1.260 CC(C)NC(=O)Cc1cccs1 WXVL_AK0030SA0018 [0,1,0,0,1,0|1,1,0]=4 538 B14R1.29 CCNC(=O)CC(C)c1ccccc1 WXVL_AK00476SB0419 [0,1,0,0,0,1|2,0,0]=4 539 B14R1.29 CCNC(=O)CC(C)c1ccccc1 WXVL_AK00476SB0419 [0,1,0,0,0,1|2,0,0]=4 540 B14R1.29 CCNC(=O)CC(O)c1ccccc1 WXVL_AK00476SB2325 [0,1,0,0,0,1|2,0,0]=4 541 B14R1.29 CCNC(=O)CC(O)c1ccccc1 WXVL_AK00476SB2325 [0,1,0,0,0,1|2,0,0]=4 542 B14R1.32 CCNC(=O)CCc1cc(ccn1)F WXVL_AK00476SA0107 [0,1,0,0,0,1|2,0,0]=4 543 B14R1.32 CCNC(=O)CCc1cc(ccn1)F WXVL_AK00476SA0107 [0,1,0,0,0,1|2,0,0]=4 544 B14R1.32 CCNC(=O)CCc1cccc(c1)Br WXVL_AK00476SB0278 [0,1,0,0,0,1|2,0,0]=4 545 B14R1.32 CCNC(=O)CCc1cccc(c1)Br WXVL_AK00476SB0278 [0,1,0,0,0,1|2,0,0]=4 546 B14R1.32 CCNC(=O)CCc1cccc(c1)C WXVL_AK00476SB1394 [0,1,0,0,0,1|2,0,0]=4 547 B14R1.32 CCNC(=O)CCc1cccc(c1)C WXVL_AK00476SB1394 [0,1,0,0,0,1|2,0,0]=4 548 B14R1.32 CCNC(=O)CCc1cccc(c1)O WXVL_AK00476SB3088 [0,1,0,0,0,1|2,0,0]=4 549 B14R1.32 CCNC(=O)CCc1cccc(c1)O WXVL_AK00476SB3088 [0,1,0,0,0,1|2,0,0]=4 550 B14R1.32 CCNC(=O)CCc1cccc(n1)C WXVL_AK00476SA0044 [0,1,0,0,0,1|2,0,0]=4 551 B14R1.32 CCNC(=O)CCc1cccc(n1)C WXVL_AK00476SA0044 [0,1,0,0,0,1|2,0,0]=4 552 B14R1.32 CCNC(=O)CCc1ccnc(c1)C WXVL_AK00476SA0045 [0,1,0,0,0,1|2,0,0]=4 553 B14R1.32 CCNC(=O)CCc1ccnc(c1)C WXVL_AK00476SA0045 [0,1,0,0,0,1|2,0,0]=4 554 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 WXVL_AK00476SB3205 [0,1,0,0,0,1|2,0,0]=4 555 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 WXVL_AK00476SB3205 [0,1,0,0,0,1|2,0,0]=4 556 B14R1.60 CCNC(=O)C(C)Cc1ccccn1 WXVL_AK00476SA0686 [0,1,0,0,0,1|2,0,0]=4 557 B14R1.60 CCNC(=O)C(C)Cc1ccccn1 WXVL_AK00476SA0686 [0,1,0,0,0,1|2,0,0]=4 558 B14R1.60 CCOC(=O)[C@H](C)Nc1ccncn1 WXVL_AK1648LP3358 [0,1,0,0,0,1|2,0,0]=4 559 B14R1.60 CCOC(=O)[C@H](C)Nc1ccncn1 WXVL_AK1648LP3358 [0,1,0,0,0,1|2,0,0]=4 560 B14R1.60 CCOC(=O)[C@H](C)Nc1ncccn1 WXVL_AK1648LP0002 [0,1,0,0,0,1|2,0,0]=4 561 B14R1.60 CCOC(=O)[C@H](C)Nc1ncccn1 WXVL_AK1648LP0002 [0,1,0,0,0,1|2,0,0]=4 562 B14R1.156 CCCNC(=O)CCc1ccccc1 WXVL_AK00504SB0067 [0,1,0,0,0,1|2,0,0]=4 563 B14R1.156 CCCNC(=O)CCc1ccccc1 WXVL_AK00504SB0067 [0,1,0,0,0,1|2,0,0]=4 564 B14R1.156 CCCNC(=O)CCc1ccccn1 WXVL_AK00504SA0316 [0,1,0,0,0,1|2,0,0]=4 565 B14R1.156 CCCNC(=O)CCc1ccccn1 WXVL_AK00504SA0316 [0,1,0,0,0,1|2,0,0]=4 566 B14R1.156 CCCNC(=O)CCc1cccnc1 WXVL_AK00504SA0031 [0,1,0,0,0,1|2,0,0]=4 567 B14R1.156 CCCNC(=O)CCc1cccnc1 WXVL_AK00504SA0031 [0,1,0,0,0,1|2,0,0]=4 568 B14R1.156 CCCNC(=O)CCc1cnccn1 WXVL_AK00504SA2354 [0,1,0,0,0,1|2,0,0]=4 569 B14R1.156 CCCNC(=O)CCc1cnccn1 WXVL_AK00504SA2354 [0,1,0,0,0,1|2,0,0]=4 570 B14R1.156 CCOCC(=O)NCc1ccccc1 WXVL_AK00502SB0091 [0,1,0,0,0,1|2,0,0]=4 571 B14R1.156 CCOCC(=O)NCc1ccccc1 WXVL_AK00502SB0091 [0,1,0,0,0,1|2,0,0]=4 572 B14R1.156 CCOCC(=O)NCc1ccccn1 WXVL_AK0018SB0091 [0,1,0,0,0,1|2,0,0]=4 573 B14R1.156 CCOCC(=O)NCc1ccccn1 WXVL_AK0018SB0091 [0,1,0,0,0,1|2,0,0]=4 574 B14R1.156 CCOCC(=O)NCc1cccnc1 WXVL_AK0020SB0091 [0,1,0,0,0,1|2,0,0]=4 575 B14R1.156 CCOCC(=O)NCc1cccnc1 WXVL_AK0020SB0091 [0,1,0,0,0,1|2,0,0]=4 576 B14R1.156 CCOCC(=O)NCc1ccncc1 WXVL_AK0021SB0091 [0,1,0,0,0,1|2,0,0]=4 577 B14R1.156 CCOCC(=O)NCc1ccncc1 WXVL_AK0021SB0091 [0,1,0,0,0,1|2,0,0]=4 578 B14R1.156 CCOCC(=O)NCc1ccncn1 WXVL_AK1356SB0091 [0,1,0,0,0,1|2,0,0]=4 579 B14R1.156 CCOCC(=O)NCc1ccncn1 WXVL_AK1356SB0091 [0,1,0,0,0,1|2,0,0]=4 580 B14R1.156 CCOCC(=O)NCc1cnccn1 WXVL_AK00262SB0091 [0,1,0,0,0,1|2,0,0]=4 581 B14R1.156 CCOCC(=O)NCc1cnccn1 WXVL_AK00262SB0091 [0,1,0,0,0,1|2,0,0]=4 582 B14R1.156 CCOCC(=O)NCc1ncccn1 WXVL_AK0279SB0091 [0,1,0,0,0,1|2,0,0]=4 583 B14R1.156 CCOCC(=O)NCc1ncccn1 WXVL_AK0279SB0091 [0,1,0,0,0,1|2,0,0]=4 584 B14R1.156 O=C(CCc1ccccc1)NCCF WXVL_AK00466SB0067 [0,1,0,0,0,1|2,0,0]=4 585 B14R1.156 O=C(CCc1ccccc1)NCCF WXVL_AK00466SB0067 [0,1,0,0,0,1|2,0,0]=4 586 B14R1.156 O=C(CCc1ccccn1)NCCF WXVL_AK00466SA0316 [0,1,0,0,0,1|2,0,0]=4 587 B14R1.156 O=C(CCc1ccccn1)NCCF WXVL_AK00466SA0316 [0,1,0,0,0,1|2,0,0]=4 588 B14R1.156 O=C(CCc1cccnc1)NCCF WXVL_AK00466SA0031 [0,1,0,0,0,1|2,0,0]=4 589 B14R1.156 O=C(CCc1cccnc1)NCCF WXVL_AK00466SA0031 [0,1,0,0,0,1|2,0,0]=4 590 B14R1.156 O=C(CCc1cnccn1)NCCF WXVL_AK00466SA2354 [0,1,0,0,0,1|2,0,0]=4 591 B14R1.156 O=C(CCc1cnccn1)NCCF WXVL_AK00466SA2354 [0,1,0,0,0,1|2,0,0]=4 592 B14R1.502 CCNC(=O)CCc1ccc(cc1)Br WXVL_AK00476SB1166 [0,1,0,0,0,1|2,0,0]=4 593 B14R1.502 CCNC(=O)CCc1ccc(cc1)Br WXVL_AK00476SB1166 [0,1,0,0,0,1|2,0,0]=4 594 B14R1.502 CCNC(=O)CCc1ccc(cc1)C WXVL_AK00476SB0421 [0,1,0,0,0,1|2,0,0]=4 595 B14R1.502 CCNC(=O)CCc1ccc(cc1)C WXVL_AK00476SB0421 [0,1,0,0,0,1|2,0,0]=4 596 B14R1.502 CCNC(=O)CCc1ccc(cc1)F WXVL_AK00476SB1123 [0,1,0,0,0,1|2,0,0]=4 597 B14R1.502 CCNC(=O)CCc1ccc(cc1)F WXVL_AK00476SB1123 [0,1,0,0,0,1|2,0,0]=4 598 B14R1.502 CCNC(=O)CCc1ccc(cc1)O WXVL_AK00476SB2324 [0,1,0,0,0,1|2,0,0]=4 599 B14R1.502 CCNC(=O)CCc1ccc(cc1)O WXVL_AK00476SB2324 [0,1,0,0,0,1|2,0,0]=4 600 B14R1.502 CCNC(=O)CCc1ccc(cn1)C WXVL_AK00476SA0125 [0,1,0,0,0,1|2,0,0]=4 601 B14R1.502 CCNC(=O)CCc1ccc(cn1)C WXVL_AK00476SA0125 [0,1,0,0,0,1|2,0,0]=4 602 B14R1.502 CCNC(=O)CCc1ccc(nc1)C WXVL_AK00476SA0115 [0,1,0,0,0,1|2,0,0]=4 603 B14R1.502 CCNC(=O)CCc1ccc(nc1)C WXVL_AK00476SA0115 [0,1,0,0,0,1|2,0,0]=4 604 B14R1.502 CCNC(=O)CCc1ccc(nc1)F WXVL_AK00476SA0106 [0,1,0,0,0,1|2,0,0]=4 605 B14R1.502 CCNC(=O)CCc1ccc(nc1)F WXVL_AK00476SA0106 [0,1,0,0,0,1|2,0,0]=4 606 B14R1.598 CCNC(=O)CCc1ccccc1Br WXVL_AK00476SB1278 [0,1,0,0,0,1|2,0,0]=4 607 B14R1.598 CCNC(=O)CCc1ccccc1Br WXVL_AK00476SB1278 [0,1,0,0,0,1|2,0,0]=4 608 B14R1.598 CCNC(=O)CCc1ccccc1C WXVL_AK00476SB0422 [0,1,0,0,0,1|2,0,0]=4 609 B14R1.598 CCNC(=O)CCc1ccccc1C WXVL_AK00476SB0422 [0,1,0,0,0,1|2,0,0]=4 610 B14R1.598 CCNC(=O)CCc1ccccc1Cl WXVL_AK00476SB0140 [0,1,0,0,0,1|2,0,0]=4 611 B14R1.598 CCNC(=O)CCc1ccccc1Cl WXVL_AK00476SB0140 [0,1,0,0,0,1|2,0,0]=4 612 B14R1.598 CCNC(=O)CCc1ccccc1F WXVL_AK00476SB0008 [0,1,0,0,0,1|2,0,0]=4 613 B14R1.598 CCNC(=O)CCc1ccccc1F WXVL_AK00476SB0008 [0,1,0,0,0,1|2,0,0]=4 614 B14R1.598 CCNC(=O)CCc1cccnc1C WXVL_AK00476SA0046 [0,1,0,0,0,1|2,0,0]=4 615 B14R1.598 CCNC(=O)CCc1cccnc1C WXVL_AK00476SA0046 [0,1,0,0,0,1|2,0,0]=4 616 B14R1.598 CCNC(=O)CCc1ncccc1C WXVL_AK00476SA0096 [0,1,0,0,0,1|2,0,0]=4 617 B14R1.598 CCNC(=O)CCc1ncccc1C WXVL_AK00476SA0096 [0,1,0,0,0,1|2,0,0]=4 618 B14R1.818 CC(C)NC(=O)CCc1ccccc1 WXVL_AK0030SB0067 [0,1,0,0,0,1|2,0,0]=4 619 B14R1.818 CC(C)NC(=O)CCc1ccccc1 WXVL_AK0030SB0067 [0,1,0,0,0,1|2,0,0]=4 620 B14R1.818 CC(C)NC(=O)CCc1ccccn1 WXVL_AK0030SA0316 [0,1,0,0,0,1|2,0,0]=4 621 B14R1.818 CC(C)NC(=O)CCc1ccccn1 WXVL_AK0030SA0316 [0,1,0,0,0,1|2,0,0]=4 622 B14R1.818 CC(C)NC(=O)CCc1cccnc1 WXVL_AK0030SA0031 [0,1,0,0,0,1|2,0,0]=4 623 B14R1.818 CC(C)NC(=O)CCc1cccnc1 WXVL_AK0030SA0031 [0,1,0,0,0,1|2,0,0]=4 624 B14R1.818 CC(C)NC(=O)CCc1cnccn1 WXVL_AK0030SA2354 [0,1,0,0,0,1|2,0,0]=4 625 B14R1.818 CC(C)NC(=O)CCc1cnccn1 WXVL_AK0030SA2354 [0,1,0,0,0,1|2,0,0]=4 626 B14R1.177 C#CCCC(=O)NCCc1ccco1 WXVL_AK0989SB2189 [0,1,0,0,0,1|1,0,1]=4 627 B14R1.177 C#CCCC(=O)NCCc1ccco1 WXVL_AK0989SB2189 [0,1,0,0,0,1|1,0,1]=4 628 B14R1.177 C=CCCC(=O)NCCc1ccco1 WXVL_AK0989SB1035 [0,1,0,0,0,1|1,0,1]=4 629 B14R1.177 C=CCCC(=O)NCCc1ccco1 WXVL_AK0989SB1035 [0,1,0,0,0,1|1,0,1]=4 630 B14R1.177 CCOCC(=O)NCCc1cc[nH]n1 WXVL_AK1576SB0091 [0,1,0,0,0,1|2,0,0]=4 631 B14R1.177 CCOCC(=O)NCCc1cc[nH]n1 WXVL_AK1576SB0091 [0,1,0,0,0,1|2,0,0]=4 632 B14R1.177 CCOCC(=O)NCCc1ccco1 WXVL_AK0989SB0091 [0,1,0,0,0,1|0,0,0]=2 633 B14R1.177 CCOCC(=O)NCCc1ccco1 WXVL_AK0989SB0091 [0,1,0,0,0,1|0,0,0]=2 634 B14R1.177 CCOCC(=O)NCCc1cccs1 WXVL_AK0098SB0091 [0,1,0,0,0,1|0,1,0]=3 635 B14R1.177 CCOCC(=O)NCCc1cccs1 WXVL_AK0098SB0091 [0,1,0,0,0,1|0,1,0]=3 636 B14R1.177 CCOCC(=O)NCCc1ccsc1 WXVL_AK1342SB0091 [0,1,0,0,0,1|2,0,0]=4 637 B14R1.177 CCOCC(=O)NCCc1ccsc1 WXVL_AK1342SB0091 [0,1,0,0,0,1|2,0,0]=4 638 B14R1.177 CCOCC(=O)NCCc1cnc[nH]1 WXVL_AK0479SB0091 [0,1,0,0,0,1|2,0,0]=4 639 B14R1.177 CCOCC(=O)NCCc1cnc[nH]1 WXVL_AK0479SB0091 [0,1,0,0,0,1|2,0,0]=4 640 B14R1.177 CCOCC(=O)NCCc1ncc[nH]1 WXVL_AK00009SB0091 [0,1,0,0,0,1|2,0,0]=4 641 B14R1.177 CCOCC(=O)NCCc1ncc[nH]1 WXVL_AK00009SB0091 [0,1,0,0,0,1|2,0,0]=4 642 B14R1.177 CCOCC(=O)NCCc1nccs1 WXVL_AK0181SB0091 [0,1,0,0,0,1|1,1,0]=4 643 B14R1.177 CCOCC(=O)NCCc1nccs1 WXVL_AK0181SB0091 [0,1,0,0,0,1|1,1,0]=4 644 B14R1.177 CCOCC(=O)NCCn1cccc1 WXVL_AK1188SB0091 [0,1,0,0,0,1|2,0,0]=4 645 B14R1.177 CCOCC(=O)NCCn1cccc1 WXVL_AK1188SB0091 [0,1,0,0,0,1|2,0,0]=4 646 B14R1.177 CCSCC(=O)NCCc1ccco1 WXVL_AK0989SB0002 [0,1,0,0,0,1|0,1,0]=3 647 B14R1.177 CCSCC(=O)NCCc1ccco1 WXVL_AK0989SB0002 [0,1,0,0,0,1|0,1,0]=3 648 B14R1.177 CCSCC(=O)NCCc1cccs1 WXVL_AK0098SB0002 [0,1,0,0,0,1|0,2,0]=4 649 B14R1.177 CCSCC(=O)NCCc1cccs1 WXVL_AK0098SB0002 [0,1,0,0,0,1|0,2,0]=4 650 B14R1.177 COCCC(=O)NCCc1ccco1 WXVL_AK0989SB0156 [0,1,0,0,0,1|1,0,0]=3 651 B14R1.177 COCCC(=O)NCCc1ccco1 WXVL_AK0989SB0156 [0,1,0,0,0,1|1,0,0]=3 652 B14R1.177 COCCC(=O)NCCc1cccs1 WXVL_AK0098SB0156 [0,1,0,0,0,1|1,1,0]=4 653 B14R1.177 COCCC(=O)NCCc1cccs1 WXVL_AK0098SB0156 [0,1,0,0,0,1|1,1,0]=4 654 B14R1.177 CSCCC(=O)NCCc1ccco1 WXVL_AK0989SB0361 [0,1,0,0,0,1|1,0,0]=3 655 B14R1.177 CSCCC(=O)NCCc1ccco1 WXVL_AK0989SB0361 [0,1,0,0,0,1|1,0,0]=3 656 B14R1.177 CSCCC(=O)NCCc1cccs1 WXVL_AK0098SB0361 [0,1,0,0,0,1|1,1,0]=4 657 B14R1.177 CSCCC(=O)NCCc1cccs1 WXVL_AK0098SB0361 [0,1,0,0,0,1|1,1,0]=4 658 B14R1.177 O=C(/C=C/CBr)NCCc1ccco1 WXVL_AK0989SB0424 [0,1,0,0,0,1|1,0,1]=4 659 B14R1.177 O=C(/C=C/CBr)NCCc1ccco1 WXVL_AK0989SB0424 [0,1,0,0,0,1|1,0,1]=4 660 B14R1.177 O=C(NCCCl)NCCc1ccco1 WXVL_AK0989YV0092 [0,1,0,0,0,1|1,0,0]=3 661 B14R1.177 O=C(NCCCl)NCCc1ccco1 WXVL_AK0989YV0092 [0,1,0,0,0,1|1,0,0]=3 662 B14R1.177 O=C(NCCCl)NCCc1cccs1 WXVL_AK0098YV0092 [0,1,0,0,0,1|1,1,0]=4 663 B14R1.177 O=C(NCCCl)NCCc1cccs1 WXVL_AK0098YV0092 [0,1,0,0,0,1|1,1,0]=4 664 B14R1.519 CCCC(=O)NCCc1ccc(s1)Br WXVL_AK5921SB0073 [0,1,0,0,0,1|1,1,0]=4 665 B14R1.519 CCCC(=O)NCCc1ccc(s1)Br WXVL_AK5921SB0073 [0,1,0,0,0,1|1,1,0]=4 666 B14R1.621 CCOC(=O)CC(=O)Nc1ccno1 WXVL_AF0588SB3094 [0,1,0,0,0,1|1,0,1]=4 667 B14R1.621 CCOC(=O)CC(=O)Nc1ccno1 WXVL_AF0588SB3094 [0,1,0,0,0,1|1,0,1]=4 668 B14R1.621 CCOC(=O)CC(=O)Nc1ncco1 WXVL_AF0235SB3094 [0,1,0,0,0,1|1,0,1]=4 669 B14R1.621 CCOC(=O)CC(=O)Nc1ncco1 WXVL_AF0235SB3094 [0,1,0,0,0,1|1,0,1]=4 670 B14R1.633 CCOC(=O)C(=O)NCc1ccc[nH]1 WXVL_AK00759SB4144 [0,1,0,0,0,1|1,0,1]=4 671 B14R1.633 CCOC(=O)C(=O)NCc1ccc[nH]1 WXVL_AK00759SB4144 [0,1,0,0,0,1|1,0,1]=4 672 B14R1.633 CCOC(=O)C(=O)NCc1ccco1 WXVL_AK0010SB4144 [0,1,0,0,0,1|0,0,1]=3 673 B14R1.633 CCOC(=O)C(=O)NCc1ccco1 WXVL_AK0010SB4144 [0,1,0,0,0,1|0,0,1]=3 674 B14R1.633 CCOC(=O)C(=O)NCc1cccs1 WXVL_AK0014SB4144 [0,1,0,0,0,1|0,1,1]=4 675 B14R1.633 CCOC(=O)C(=O)NCc1cccs1 WXVL_AK0014SB4144 [0,1,0,0,0,1|0,1,1]=4 676 B14R1.633 CCOC(=O)C(=O)NCc1cnco1 WXVL_AK1437SB4144 [0,1,0,0,0,1|1,0,1]=4 677 B14R1.633 CCOC(=O)C(=O)NCc1cnco1 WXVL_AK1437SB4144 [0,1,0,0,0,1|1,0,1]=4 678 B14R1.986 C/C=C(\C)/C(=O)NCCc1ccco1 WXVL_AK0989SB0343 [0,1,0,0,0,1|1,0,1]=4 679 B14R1.986 C/C=C(\C)/C(=O)NCCc1ccco1 WXVL_AK0989SB0343 [0,1,0,0,0,1|1,0,1]=4 680 B14R1.986 CCC(=O)C(=O)NCCc1ccco1 WXVL_AK0989SB0344 [0,1,0,0,0,1|1,0,0]=3 681 B14R1.986 CCC(=O)C(=O)NCCc1ccco1 WXVL_AK0989SB0344 [0,1,0,0,0,1|1,0,0]=3 682 B14R1.986 CCC(=O)C(=O)NCCc1cccs1 WXVL_AK0098SB0344 [0,1,0,0,0,1|1,1,0]=4 683 B14R1.986 CCC(=O)C(=O)NCCc1cccs1 WXVL_AK0098SB0344 [0,1,0,0,0,1|1,1,0]=4 684 B14R1.986 CCC(C)C(=O)NCCc1ccco1 WXVL_AK0989SB0054 [0,1,0,0,0,1|1,0,0]=3 685 B14R1.986 CCC(C)C(=O)NCCc1ccco1 WXVL_AK0989SB0054 [0,1,0,0,0,1|1,0,0]=3 686 B14R1.986 CCC(C)C(=O)NCCc1cccs1 WXVL_AK0098SB0054 [0,1,0,0,0,1|1,1,0]=4 687 B14R1.986 CCC(C)C(=O)NCCc1cccs1 WXVL_AK0098SB0054 [0,1,0,0,0,1|1,1,0]=4 688 B14R1.986 CC[C@@H](C)C(=O)NCCc1ccco1 WXVL_AK0989SB00054 [0,1,0,0,0,1|1,0,0]=3 689 B14R1.986 CC[C@@H](C)C(=O)NCCc1ccco1 WXVL_AK0989SB00054 [0,1,0,0,0,1|1,0,0]=3 690 B14R1.986 CC[C@@H](C)C(=O)NCCc1cccs1 WXVL_AK0098SB00054 [0,1,0,0,0,1|1,1,0]=4 691 B14R1.986 CC[C@@H](C)C(=O)NCCc1cccs1 WXVL_AK0098SB00054 [0,1,0,0,0,1|1,1,0]=4 692 B14R1.986 CC[C@H](O)C(=O)NCCc1ccco1 WXVL_AK0989SB3573 [0,1,0,0,0,1|1,0,0]=3 693 B14R1.986 CC[C@H](O)C(=O)NCCc1ccco1 WXVL_AK0989SB3573 [0,1,0,0,0,1|1,0,0]=3 694 B14R1.986 CC[C@H](O)C(=O)NCCc1cccs1 WXVL_AK0098SB3573 [0,1,0,0,0,1|1,1,0]=4 695 B14R1.986 CC[C@H](O)C(=O)NCCc1cccs1 WXVL_AK0098SB3573 [0,1,0,0,0,1|1,1,0]=4 696 B14R1.986 CO[C@H](C)C(=O)NCCc1ccco1 WXVL_AK0989SB2926 [0,1,0,0,0,1|2,0,0]=4 697 B14R1.986 CO[C@H](C)C(=O)NCCc1ccco1 WXVL_AK0989SB2926 [0,1,0,0,0,1|2,0,0]=4 698 B14R1.6454 CC(=CC(=O)NCCc1ccco1)C WXVL_AK0989SB0342 [0,1,0,0,0,1|1,0,1]=4 699 B14R1.6454 CC(=CC(=O)NCCc1ccco1)C WXVL_AK0989SB0342 [0,1,0,0,0,1|1,0,1]=4 700 B14R1.6454 CC(C)CC(=O)NCCc1ccco1 WXVL_AK0989SB0063 [0,1,0,0,0,1|1,0,0]=3 701 B14R1.6454 CC(C)CC(=O)NCCc1ccco1 WXVL_AK0989SB0063 [0,1,0,0,0,1|1,0,0]=3 702 B14R1.6454 CC(C)CC(=O)NCCc1cccs1 WXVL_AK0098SB0063 [0,1,0,0,0,1|1,1,0]=4 703 B14R1.6454 CC(C)CC(=O)NCCc1cccs1 WXVL_AK0098SB0063 [0,1,0,0,0,1|1,1,0]=4 704 B14R1.6454 CC(O)CC(=O)NCCc1ccco1 WXVL_AK0989SB3643 [0,1,0,0,0,1|1,0,0]=3 705 B14R1.6454 CC(O)CC(=O)NCCc1ccco1 WXVL_AK0989SB3643 [0,1,0,0,0,1|1,0,0]=3 706 B14R1.6454 CC(O)CC(=O)NCCc1cccs1 WXVL_AK0098SB3643 [0,1,0,0,0,1|1,1,0]=4 707 B14R1.6454 CC(O)CC(=O)NCCc1cccs1 WXVL_AK0098SB3643 [0,1,0,0,0,1|1,1,0]=4 708 B14R1.6454 CN(C)CC(=O)NCCc1ccco1 WXVL_AK0989SB0085 [0,1,0,0,0,1|2,0,0]=4 709 B14R1.6454 CN(C)CC(=O)NCCc1ccco1 WXVL_AK0989SB0085 [0,1,0,0,0,1|2,0,0]=4 710 B14R1.6715 CCCS(=O)(=O)NCCc1ccco1 WXVL_AK0989HU0030 [0,1,0,0,0,1|2,0,0]=4 711 B14R1.6715 CCCS(=O)(=O)NCCc1ccco1 WXVL_AK0989HU0030 [0,1,0,0,0,1|2,0,0]=4 712 B14R1.137 CCOCC(=O)NC(C)c1ccno1 WXVL_AK6536SB0091 [0,2,0,0,0,0|2,0,0]=4 713 B14R1.137 CCOCC(=O)NC(C)c1ccno1 WXVL_AK6536SB0091 [0,2,0,0,0,0|2,0,0]=4 714 B14R1.137 CCOCC(=O)N[C@@H](C)c1cccs1 WXVL_AK00667SB0091 [0,2,0,0,0,0|1,1,0]=4 715 B14R1.137 CCOCC(=O)N[C@@H](C)c1cccs1 WXVL_AK00667SB0091 [0,2,0,0,0,0|1,1,0]=4 716 B14R1.155 CCCNC(=O)CCc1cc(cs1)C WXVL_AK00504SA0123 [0,2,0,0,0,0|1,1,0]=4 717 B14R1.155 CCCNC(=O)CCc1cc(cs1)C WXVL_AK00504SA0123 [0,2,0,0,0,0|1,1,0]=4 718 B14R1.155 CCCNC(=O)CCc1ccc(s1)C WXVL_AK00504SA0110 [0,2,0,0,0,0|1,1,0]=4 719 B14R1.155 CCCNC(=O)CCc1ccc(s1)C WXVL_AK00504SA0110 [0,2,0,0,0,0|1,1,0]=4 720 B14R1.155 CCOCC(=O)NCc1cc(cs1)Br WXVL_AK00192SB0091 [0,2,0,0,0,0|1,1,0]=4 721 B14R1.155 CCOCC(=O)NCc1cc(cs1)Br WXVL_AK00192SB0091 [0,2,0,0,0,0|1,1,0]=4 722 B14R1.155 CCOCC(=O)NCc1cc(no1)Br WXVL_AK1427SB0091 [0,2,0,0,0,0|2,0,0]=4 723 B14R1.155 CCOCC(=O)NCc1cc(no1)Br WXVL_AK1427SB0091 [0,2,0,0,0,0|2,0,0]=4 724 B14R1.155 CCOCC(=O)NCc1cc(no1)C WXVL_AK1064SB0091 [0,2,0,0,0,0|2,0,0]=4 725 B14R1.155 CCOCC(=O)NCc1cc(no1)C WXVL_AK1064SB0091 [0,2,0,0,0,0|2,0,0]=4 726 B14R1.155 CCOCC(=O)NCc1ccc(s1)Br WXVL_AK2468SB0091 [0,2,0,0,0,0|1,1,0]=4 727 B14R1.155 CCOCC(=O)NCc1ccc(s1)Br WXVL_AK2468SB0091 [0,2,0,0,0,0|1,1,0]=4 728 B14R1.155 CCOCC(=O)NCc1ccc(s1)C WXVL_AK0276SB0091 [0,2,0,0,0,0|1,1,0]=4 729 B14R1.155 CCOCC(=O)NCc1ccc(s1)C WXVL_AK0276SB0091 [0,2,0,0,0,0|1,1,0]=4 730 B14R1.155 CCOCC(=O)NCc1ccc(s1)Cl WXVL_AK00166SB0091 [0,2,0,0,0,0|1,1,0]=4 731 B14R1.155 CCOCC(=O)NCc1ccc(s1)Cl WXVL_AK00166SB0091 [0,2,0,0,0,0|1,1,0]=4 732 B14R1.155 Cc1ccc(s1)CCC(=O)NCCF WXVL_AK00466SA0110 [0,2,0,0,0,0|1,1,0]=4 733 B14R1.155 Cc1ccc(s1)CCC(=O)NCCF WXVL_AK00466SA0110 [0,2,0,0,0,0|1,1,0]=4 734 B14R1.155 Cc1csc(c1)CCC(=O)NCCF WXVL_AK00466SA0123 [0,2,0,0,0,0|1,1,0]=4 735 B14R1.155 Cc1csc(c1)CCC(=O)NCCF WXVL_AK00466SA0123 [0,2,0,0,0,0|1,1,0]=4 736 B14R1.4262 Cc1ccc(s1)CCC(=O)NC(C)C WXVL_AK0030SA0110 [0,2,0,0,0,0|1,1,0]=4 737 B14R1.4262 Cc1ccc(s1)CCC(=O)NC(C)C WXVL_AK0030SA0110 [0,2,0,0,0,0|1,1,0]=4 738 B14R1.4262 Cc1csc(c1)CCC(=O)NC(C)C WXVL_AK0030SA0123 [0,2,0,0,0,0|1,1,0]=4 739 B14R1.4262 Cc1csc(c1)CCC(=O)NC(C)C WXVL_AK0030SA0123 [0,2,0,0,0,0|1,1,0]=4 740 B14R1.416 CC(C)NC(=O)C(C)Cc1ccco1 WXVL_AK0030SA2637 [0,2,0,0,0,0|1,0,0]=3 741 B14R1.416 CC(C)NC(=O)C(C)Cc1ccco1 WXVL_AK0030SA2637 [0,2,0,0,0,0|1,0,0]=3 742 B14R1.454 C=CCNC(=O)C(C)Cc1ccco1 WXVL_AK00561SA2637 [0,2,0,0,0,0|1,0,1]=4 743 B14R1.454 C=CCNC(=O)C(C)Cc1ccco1 WXVL_AK00561SA2637 [0,2,0,0,0,0|1,0,1]=4 744 B14R1.454 CC(Cc1ccco1)C(=O)NCC#N WXVL_AK0683SA2637 [0,2,0,0,0,0|1,0,1]=4 745 B14R1.454 CC(Cc1ccco1)C(=O)NCC#N WXVL_AK0683SA2637 [0,2,0,0,0,0|1,0,1]=4 746 B14R1.454 CC(Cc1ccco1)C(=O)NCCF WXVL_AK00466SA2637 [0,2,0,0,0,0|1,0,0]=3 747 B14R1.454 CC(Cc1ccco1)C(=O)NCCF WXVL_AK00466SA2637 [0,2,0,0,0,0|1,0,0]=3 748 B14R1.454 CCCNC(=O)C(C)Cc1ccco1 WXVL_AK00504SA2637 [0,2,0,0,0,0|1,0,0]=3 749 B14R1.454 CCCNC(=O)C(C)Cc1ccco1 WXVL_AK00504SA2637 [0,2,0,0,0,0|1,0,0]=3 750 B14R1.86 C#CCCCC(=O)NCc1ccco1 WXVL_AK0010SB2709 [0,2,0,0,0,0|2,0,0]=4 751 B14R1.86 C#CCCCC(=O)NCc1ccco1 WXVL_AK0010SB2709 [0,2,0,0,0,0|2,0,0]=4 752 B14R1.86 C#CCCNC(=O)CCc1ccc[nH]1 WXVL_AK3109SA0009 [0,2,0,0,0,0|2,0,0]=4 753 B14R1.86 C#CCCNC(=O)CCc1ccc[nH]1 WXVL_AK3109SA0009 [0,2,0,0,0,0|2,0,0]=4 754 B14R1.86 C#CCCNC(=O)CCc1ccco1 WXVL_AK3109SA0167 [0,2,0,0,0,0|1,0,0]=3 755 B14R1.86 C#CCCNC(=O)CCc1ccco1 WXVL_AK3109SA0167 [0,2,0,0,0,0|1,0,0]=3 756 B14R1.86 C#CCCNC(=O)CCc1cccs1 WXVL_AK3109SA0303 [0,2,0,0,0,0|1,1,0]=4 757 B14R1.86 C#CCCNC(=O)CCc1cccs1 WXVL_AK3109SA0303 [0,2,0,0,0,0|1,1,0]=4 758 B14R1.86 C=CCCCC(=O)NCc1ccco1 WXVL_AK0010SB2920 [0,2,0,0,0,0|2,0,0]=4 759 B14R1.86 C=CCCCC(=O)NCc1ccco1 WXVL_AK0010SB2920 [0,2,0,0,0,0|2,0,0]=4 760 B14R1.86 C=CCCNC(=O)CCc1ccc[nH]1 WXVL_AK00138SA0009 [0,2,0,0,0,0|2,0,0]=4 761 B14R1.86 C=CCCNC(=O)CCc1ccc[nH]1 WXVL_AK00138SA0009 [0,2,0,0,0,0|2,0,0]=4 762 B14R1.86 C=CCCNC(=O)CCc1ccco1 WXVL_AK00138SA0167 [0,2,0,0,0,0|1,0,0]=3 763 B14R1.86 C=CCCNC(=O)CCc1ccco1 WXVL_AK00138SA0167 [0,2,0,0,0,0|1,0,0]=3 764 B14R1.86 C=CCCNC(=O)CCc1cccs1 WXVL_AK00138SA0303 [0,2,0,0,0,0|1,1,0]=4 765 B14R1.86 C=CCCNC(=O)CCc1cccs1 WXVL_AK00138SA0303 [0,2,0,0,0,0|1,1,0]=4 766 B14R1.86 CC/C=C/CC(=O)NCc1ccco1 WXVL_AK0010SB0349 [0,2,0,0,0,0|2,0,0]=4 767 B14R1.86 CC/C=C/CC(=O)NCc1ccco1 WXVL_AK0010SB0349 [0,2,0,0,0,0|2,0,0]=4 768 B14R1.86 CCCCNC(=O)CCc1ccc[nH]1 WXVL_AK00588SA0009 [0,2,0,0,0,0|2,0,0]=4 769 B14R1.86 CCCCNC(=O)CCc1ccc[nH]1 WXVL_AK00588SA0009 [0,2,0,0,0,0|2,0,0]=4 770 B14R1.86 CCCCNC(=O)CCc1ccco1 WXVL_AK00588SA0167 [0,2,0,0,0,0|1,0,0]=3 771 B14R1.86 CCCCNC(=O)CCc1ccco1 WXVL_AK00588SA0167 [0,2,0,0,0,0|1,0,0]=3 772 B14R1.86 CCCCNC(=O)CCc1cccs1 WXVL_AK00588SA0303 [0,2,0,0,0,0|1,1,0]=4 773 B14R1.86 CCCCNC(=O)CCc1cccs1 WXVL_AK00588SA0303 [0,2,0,0,0,0|1,1,0]=4 774 B14R1.86 CCO/C=C/C(=O)NCc1ccc[nH]1 WXVL_AK00759SB3226 [0,2,0,0,0,0|2,0,0]=4 775 B14R1.86 CCO/C=C/C(=O)NCc1ccc[nH]1 WXVL_AK00759SB3226 [0,2,0,0,0,0|2,0,0]=4 776 B14R1.86 CCO/C=C/C(=O)NCc1ccco1 WXVL_AK0010SB3226 [0,2,0,0,0,0|1,0,0]=3 777 B14R1.86 CCO/C=C/C(=O)NCc1ccco1 WXVL_AK0010SB3226 [0,2,0,0,0,0|1,0,0]=3 778 B14R1.86 CCO/C=C/C(=O)NCc1cccs1 WXVL_AK0014SB3226 [0,2,0,0,0,0|1,1,0]=4 779 B14R1.86 CCO/C=C/C(=O)NCc1cccs1 WXVL_AK0014SB3226 [0,2,0,0,0,0|1,1,0]=4 780 B14R1.86 CCO/C=C/C(=O)NCc1cnco1 WXVL_AK1437SB3226 [0,2,0,0,0,0|2,0,0]=4 781 B14R1.86 CCO/C=C/C(=O)NCc1cnco1 WXVL_AK1437SB3226 [0,2,0,0,0,0|2,0,0]=4 782 B14R1.86 CSCCNC(=O)CCc1ccc[nH]1 WXVL_AK00440SA0009 [0,2,0,0,0,0|2,0,0]=4 783 B14R1.86 CSCCNC(=O)CCc1ccc[nH]1 WXVL_AK00440SA0009 [0,2,0,0,0,0|2,0,0]=4 784 B14R1.86 CSCCNC(=O)CCc1ccco1 WXVL_AK00440SA0167 [0,2,0,0,0,0|1,0,0]=3 785 B14R1.86 CSCCNC(=O)CCc1ccco1 WXVL_AK00440SA0167 [0,2,0,0,0,0|1,0,0]=3 786 B14R1.86 CSCCNC(=O)CCc1cccs1 WXVL_AK00440SA0303 [0,2,0,0,0,0|1,1,0]=4 787 B14R1.86 CSCCNC(=O)CCc1cccs1 WXVL_AK00440SA0303 [0,2,0,0,0,0|1,1,0]=4 788 B14R1.86 N#CCCNC(=O)CCc1ccc[nH]1 WXVL_AK0087SA0009 [0,2,0,0,0,0|2,0,0]=4 789 B14R1.86 N#CCCNC(=O)CCc1ccc[nH]1 WXVL_AK0087SA0009 [0,2,0,0,0,0|2,0,0]=4 790 B14R1.86 N#CCCNC(=O)CCc1ccco1 WXVL_AK0087SA0167 [0,2,0,0,0,0|1,0,0]=3 791 B14R1.86 N#CCCNC(=O)CCc1ccco1 WXVL_AK0087SA0167 [0,2,0,0,0,0|1,0,0]=3 792 B14R1.86 N#CCCNC(=O)CCc1cccs1 WXVL_AK0087SA0303 [0,2,0,0,0,0|1,1,0]=4 793 B14R1.86 N#CCCNC(=O)CCc1cccs1 WXVL_AK0087SA0303 [0,2,0,0,0,0|1,1,0]=4 794 B14R1.86 O=C(CCCCBr)NCc1ccco1 WXVL_AK0010SB3153 [0,2,0,0,0,0|2,0,0]=4 795 B14R1.86 O=C(CCCCBr)NCc1ccco1 WXVL_AK0010SB3153 [0,2,0,0,0,0|2,0,0]=4 796 B14R1.86 O=C(CCCCCl)NCc1ccco1 WXVL_AK0010SB0379 [0,2,0,0,0,0|2,0,0]=4 797 B14R1.86 O=C(CCCCCl)NCc1ccco1 WXVL_AK0010SB0379 [0,2,0,0,0,0|2,0,0]=4 798 B14R1.86 O=C(CCc1ccc[nH]1)NCCCO WXVL_AK0073SA0009 [0,2,0,0,0,0|2,0,0]=4 799 B14R1.86 O=C(CCc1ccc[nH]1)NCCCO WXVL_AK0073SA0009 [0,2,0,0,0,0|2,0,0]=4 800 B14R1.86 O=C(CCc1ccco1)NCCCO WXVL_AK0073SA0167 [0,2,0,0,0,0|1,0,0]=3 801 B14R1.86 O=C(CCc1ccco1)NCCCO WXVL_AK0073SA0167 [0,2,0,0,0,0|1,0,0]=3 802 B14R1.86 O=C(CCc1cccs1)NCCCO WXVL_AK0073SA0303 [0,2,0,0,0,0|1,1,0]=4 803 B14R1.86 O=C(CCc1cccs1)NCCCO WXVL_AK0073SA0303 [0,2,0,0,0,0|1,1,0]=4 804 B14R1.86 O=C(NCCCCl)NCc1ccco1 WXVL_AK0010YV0130 [0,2,0,0,0,0|2,0,0]=4 805 B14R1.86 O=C(NCCCCl)NCc1ccco1 WXVL_AK0010YV0130 [0,2,0,0,0,0|2,0,0]=4 806 B14R1.588 C#C[C@@H](C)NC(=O)CCc1ccc[nH]1 WXVL_AK00735SA0009 [0,2,0,0,0,0|2,0,0]=4 807 B14R1.588 C#C[C@@H](C)NC(=O)CCc1ccc[nH]1 WXVL_AK00735SA0009 [0,2,0,0,0,0|2,0,0]=4 808 B14R1.588 C#C[C@@H](C)NC(=O)CCc1ccco1 WXVL_AK00735SA0167 [0,2,0,0,0,0|1,0,0]=3 809 B14R1.588 C#C[C@@H](C)NC(=O)CCc1ccco1 WXVL_AK00735SA0167 [0,2,0,0,0,0|1,0,0]=3 810 B14R1.588 C#C[C@@H](C)NC(=O)CCc1cccs1 WXVL_AK00735SA0303 [0,2,0,0,0,0|1,1,0]=4 811 B14R1.588 C#C[C@@H](C)NC(=O)CCc1cccs1 WXVL_AK00735SA0303 [0,2,0,0,0,0|1,1,0]=4 812 B14R1.588 C=CC(C)NC(=O)CCc1ccc[nH]1 WXVL_AK00769SA0009 [0,2,0,0,0,0|2,0,0]=4 813 B14R1.588 C=CC(C)NC(=O)CCc1ccc[nH]1 WXVL_AK00769SA0009 [0,2,0,0,0,0|2,0,0]=4 814 B14R1.588 C=CC(C)NC(=O)CCc1ccco1 WXVL_AK00769SA0167 [0,2,0,0,0,0|1,0,0]=3 815 B14R1.588 C=CC(C)NC(=O)CCc1ccco1 WXVL_AK00769SA0167 [0,2,0,0,0,0|1,0,0]=3 816 B14R1.588 C=CC(C)NC(=O)CCc1cccs1 WXVL_AK00769SA0303 [0,2,0,0,0,0|1,1,0]=4 817 B14R1.588 C=CC(C)NC(=O)CCc1cccs1 WXVL_AK00769SA0303 [0,2,0,0,0,0|1,1,0]=4 818 B14R1.588 CC(C#N)NC(=O)CCc1ccc[nH]1 WXVL_AK00810SA0009 [0,2,0,0,0,0|2,0,0]=4 819 B14R1.588 CC(C#N)NC(=O)CCc1ccc[nH]1 WXVL_AK00810SA0009 [0,2,0,0,0,0|2,0,0]=4 820 B14R1.588 CC(C#N)NC(=O)CCc1ccco1 WXVL_AK00810SA0167 [0,2,0,0,0,0|1,0,0]=3 821 B14R1.588 CC(C#N)NC(=O)CCc1ccco1 WXVL_AK00810SA0167 [0,2,0,0,0,0|1,0,0]=3 822 B14R1.588 CC(C#N)NC(=O)CCc1cccs1 WXVL_AK00810SA0303 [0,2,0,0,0,0|1,1,0]=4 823 B14R1.588 CC(C#N)NC(=O)CCc1cccs1 WXVL_AK00810SA0303 [0,2,0,0,0,0|1,1,0]=4 824 B14R1.588 CCC(C)CC(=O)NCc1ccco1 WXVL_AK0010SB0353 [0,2,0,0,0,0|2,0,0]=4 825 B14R1.588 CCC(C)CC(=O)NCc1ccco1 WXVL_AK0010SB0353 [0,2,0,0,0,0|2,0,0]=4 826 B14R1.588 CCC(O)CC(=O)NCc1ccco1 WXVL_AK0010SB4092 [0,2,0,0,0,0|2,0,0]=4 827 B14R1.588 CCC(O)CC(=O)NCc1ccco1 WXVL_AK0010SB4092 [0,2,0,0,0,0|2,0,0]=4 828 B14R1.588 CC[C@@H](C)CC(=O)NCc1ccco1 WXVL_AK0010SB8650 [0,2,0,0,0,0|2,0,0]=4 829 B14R1.588 CC[C@@H](C)CC(=O)NCc1ccco1 WXVL_AK0010SB8650 [0,2,0,0,0,0|2,0,0]=4 830 B14R1.588 CC[C@H](C)NC(=O)CCc1ccc[nH]1 WXVL_AK00678SA0009 [0,2,0,0,0,0|2,0,0]=4 831 B14R1.588 CC[C@H](C)NC(=O)CCc1ccc[nH]1 WXVL_AK00678SA0009 [0,2,0,0,0,0|2,0,0]=4 832 B14R1.588 CC[C@H](C)NC(=O)CCc1ccco1 WXVL_AK00678SA0167 [0,2,0,0,0,0|1,0,0]=3 833 B14R1.588 CC[C@H](C)NC(=O)CCc1ccco1 WXVL_AK00678SA0167 [0,2,0,0,0,0|1,0,0]=3 834 B14R1.588 CC[C@H](C)NC(=O)CCc1cccs1 WXVL_AK00678SA0303 [0,2,0,0,0,0|1,1,0]=4 835 B14R1.588 CC[C@H](C)NC(=O)CCc1cccs1 WXVL_AK00678SA0303 [0,2,0,0,0,0|1,1,0]=4 836 B14R1.588 C[C@@H](CF)NC(=O)CCc1ccc[nH]1 WXVL_AK00558SA0009 [0,2,0,0,0,0|2,0,0]=4 837 B14R1.588 C[C@@H](CF)NC(=O)CCc1ccc[nH]1 WXVL_AK00558SA0009 [0,2,0,0,0,0|2,0,0]=4 838 B14R1.588 C[C@@H](CF)NC(=O)CCc1ccco1 WXVL_AK00558SA0167 [0,2,0,0,0,0|1,0,0]=3 839 B14R1.588 C[C@@H](CF)NC(=O)CCc1ccco1 WXVL_AK00558SA0167 [0,2,0,0,0,0|1,0,0]=3 840 B14R1.588 C[C@@H](CF)NC(=O)CCc1cccs1 WXVL_AK00558SA0303 [0,2,0,0,0,0|1,1,0]=4 841 B14R1.588 C[C@@H](CF)NC(=O)CCc1cccs1 WXVL_AK00558SA0303 [0,2,0,0,0,0|1,1,0]=4 842 B14R1.588 C[C@@H](CO)NC(=O)CCc1ccc[nH]1 WXVL_AK0109SA0009 [0,2,0,0,0,0|2,0,0]=4 843 B14R1.588 C[C@@H](CO)NC(=O)CCc1ccc[nH]1 WXVL_AK0109SA0009 [0,2,0,0,0,0|2,0,0]=4 844 B14R1.588 C[C@@H](CO)NC(=O)CCc1ccco1 WXVL_AK0109SA0167 [0,2,0,0,0,0|1,0,0]=3 845 B14R1.588 C[C@@H](CO)NC(=O)CCc1ccco1 WXVL_AK0109SA0167 [0,2,0,0,0,0|1,0,0]=3 846 B14R1.588 C[C@@H](CO)NC(=O)CCc1cccs1 WXVL_AK0109SA0303 [0,2,0,0,0,0|1,1,0]=4 847 B14R1.588 C[C@@H](CO)NC(=O)CCc1cccs1 WXVL_AK0109SA0303 [0,2,0,0,0,0|1,1,0]=4 848 B14R1.916 CCOCC(=O)NCc1cccn1C WXVL_AK0499SB0091 [0,2,0,0,0,0|2,0,0]=4 849 B14R1.916 CCOCC(=O)NCc1cccn1C WXVL_AK0499SB0091 [0,2,0,0,0,0|2,0,0]=4 850 B14R1.916 CCOCC(=O)NCc1sccc1Cl WXVL_AK4332SB0091 [0,2,0,0,0,0|1,1,0]=4 851 B14R1.916 CCOCC(=O)NCc1sccc1Cl WXVL_AK4332SB0091 [0,2,0,0,0,0|1,1,0]=4 852 B14R1.4526 C=C(C)CNC(=O)CCc1ccc[nH]1 WXVL_AK0761SA0009 [0,2,0,0,0,0|2,0,0]=4 853 B14R1.4526 C=C(C)CNC(=O)CCc1ccc[nH]1 WXVL_AK0761SA0009 [0,2,0,0,0,0|2,0,0]=4 854 B14R1.4526 C=C(C)CNC(=O)CCc1ccco1 WXVL_AK0761SA0167 [0,2,0,0,0,0|1,0,0]=3 855 B14R1.4526 C=C(C)CNC(=O)CCc1ccco1 WXVL_AK0761SA0167 [0,2,0,0,0,0|1,0,0]=3 856 B14R1.4526 C=C(C)CNC(=O)CCc1cccs1 WXVL_AK0761SA0303 [0,2,0,0,0,0|1,1,0]=4 857 B14R1.4526 C=C(C)CNC(=O)CCc1cccs1 WXVL_AK0761SA0303 [0,2,0,0,0,0|1,1,0]=4 858 B14R1.4526 CC(=O)CCC(=O)NCc1ccco1 WXVL_AK0010SB0072 [0,2,0,0,0,0|2,0,0]=4 859 B14R1.4526 CC(=O)CCC(=O)NCc1ccco1 WXVL_AK0010SB0072 [0,2,0,0,0,0|2,0,0]=4 860 B14R1.4526 CC(=O)OCC(=O)NCc1ccco1 WXVL_AK0010SB2824 [0,2,0,0,0,0|1,0,1]=4 861 B14R1.4526 CC(=O)OCC(=O)NCc1ccco1 WXVL_AK0010SB2824 [0,2,0,0,0,0|1,0,1]=4 862 B14R1.4526 CC(C)/C=C/C(=O)NCc1ccco1 WXVL_AK0010SB0036 [0,2,0,0,0,0|2,0,0]=4 863 B14R1.4526 CC(C)/C=C/C(=O)NCc1ccco1 WXVL_AK0010SB0036 [0,2,0,0,0,0|2,0,0]=4 864 B14R1.4526 CC(C)CCC(=O)NCc1ccco1 WXVL_AK0010SB0354 [0,2,0,0,0,0|2,0,0]=4 865 B14R1.4526 CC(C)CCC(=O)NCc1ccco1 WXVL_AK0010SB0354 [0,2,0,0,0,0|2,0,0]=4 866 B14R1.4526 CC(C)CNC(=O)CCc1ccc[nH]1 WXVL_AK00544SA0009 [0,2,0,0,0,0|2,0,0]=4 867 B14R1.4526 CC(C)CNC(=O)CCc1ccc[nH]1 WXVL_AK00544SA0009 [0,2,0,0,0,0|2,0,0]=4 868 B14R1.4526 CC(C)CNC(=O)CCc1ccco1 WXVL_AK00544SA0167 [0,2,0,0,0,0|1,0,0]=3 869 B14R1.4526 CC(C)CNC(=O)CCc1ccco1 WXVL_AK00544SA0167 [0,2,0,0,0,0|1,0,0]=3 870 B14R1.4526 CC(C)CNC(=O)CCc1cccs1 WXVL_AK00544SA0303 [0,2,0,0,0,0|1,1,0]=4 871 B14R1.4526 CC(C)CNC(=O)CCc1cccs1 WXVL_AK00544SA0303 [0,2,0,0,0,0|1,1,0]=4 872 B14R1.4526 CC(C)OCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0213 [0,2,0,0,0,0|2,0,0]=4 873 B14R1.4526 CC(C)OCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0213 [0,2,0,0,0,0|2,0,0]=4 874 B14R1.4526 CC(C)OCC(=O)NCc1ccco1 WXVL_AK0010SB0213 [0,2,0,0,0,0|1,0,0]=3 875 B14R1.4526 CC(C)OCC(=O)NCc1ccco1 WXVL_AK0010SB0213 [0,2,0,0,0,0|1,0,0]=3 876 B14R1.4526 CC(C)OCC(=O)NCc1cccs1 WXVL_AK0014SB0213 [0,2,0,0,0,0|1,1,0]=4 877 B14R1.4526 CC(C)OCC(=O)NCc1cccs1 WXVL_AK0014SB0213 [0,2,0,0,0,0|1,1,0]=4 878 B14R1.4526 CC(C)OCC(=O)NCc1cnco1 WXVL_AK1437SB0213 [0,2,0,0,0,0|2,0,0]=4 879 B14R1.4526 CC(C)OCC(=O)NCc1cnco1 WXVL_AK1437SB0213 [0,2,0,0,0,0|2,0,0]=4 880 B14R1.4526 CC(O)CNC(=O)CCc1ccc[nH]1 WXVL_AK0052SA0009 [0,2,0,0,0,0|2,0,0]=4 881 B14R1.4526 CC(O)CNC(=O)CCc1ccc[nH]1 WXVL_AK0052SA0009 [0,2,0,0,0,0|2,0,0]=4 882 B14R1.4526 CC(O)CNC(=O)CCc1ccco1 WXVL_AK0052SA0167 [0,2,0,0,0,0|1,0,0]=3 883 B14R1.4526 CC(O)CNC(=O)CCc1ccco1 WXVL_AK0052SA0167 [0,2,0,0,0,0|1,0,0]=3 884 B14R1.4526 CC(O)CNC(=O)CCc1cccs1 WXVL_AK0052SA0303 [0,2,0,0,0,0|1,1,0]=4 885 B14R1.4526 CC(O)CNC(=O)CCc1cccs1 WXVL_AK0052SA0303 [0,2,0,0,0,0|1,1,0]=4 886 B14R1.4526 CN(C)CCC(=O)NCc1ccco1 WXVL_AK0010SB00052 [0,2,0,0,0,0|2,0,0]=4 887 B14R1.4526 CN(C)CCC(=O)NCc1ccco1 WXVL_AK0010SB00052 [0,2,0,0,0,0|2,0,0]=4 888 B14R1.4526 C[C@H](O)CNC(=O)CCc1ccc[nH]1 WXVL_AK0113SA0009 [0,2,0,0,0,0|2,0,0]=4 889 B14R1.4526 C[C@H](O)CNC(=O)CCc1ccc[nH]1 WXVL_AK0113SA0009 [0,2,0,0,0,0|2,0,0]=4 890 B14R1.4526 C[C@H](O)CNC(=O)CCc1ccco1 WXVL_AK0113SA0167 [0,2,0,0,0,0|1,0,0]=3 891 B14R1.4526 C[C@H](O)CNC(=O)CCc1ccco1 WXVL_AK0113SA0167 [0,2,0,0,0,0|1,0,0]=3 892 B14R1.4526 C[C@H](O)CNC(=O)CCc1cccs1 WXVL_AK0113SA0303 [0,2,0,0,0,0|1,1,0]=4 893 B14R1.4526 C[C@H](O)CNC(=O)CCc1cccs1 WXVL_AK0113SA0303 [0,2,0,0,0,0|1,1,0]=4 894 B14R1.4526 NC(=O)CNC(=O)CCc1ccco1 WXVL_AK0147SA0167 [0,2,0,0,0,0|1,0,1]=4 895 B14R1.4526 NC(=O)CNC(=O)CCc1ccco1 WXVL_AK0147SA0167 [0,2,0,0,0,0|1,0,1]=4 896 B14R1.4526 O=C(CCc1ccc[nH]1)NCC(F)F WXVL_AK0136SA0009 [0,2,0,0,0,0|2,0,0]=4 897 B14R1.4526 O=C(CCc1ccc[nH]1)NCC(F)F WXVL_AK0136SA0009 [0,2,0,0,0,0|2,0,0]=4 898 B14R1.4526 O=C(CCc1ccco1)NCC(F)F WXVL_AK0136SA0167 [0,2,0,0,0,0|1,0,0]=3 899 B14R1.4526 O=C(CCc1ccco1)NCC(F)F WXVL_AK0136SA0167 [0,2,0,0,0,0|1,0,0]=3 900 B14R1.4526 O=C(CCc1cccs1)NCC(F)F WXVL_AK0136SA0303 [0,2,0,0,0,0|1,1,0]=4 901 B14R1.4526 O=C(CCc1cccs1)NCC(F)F WXVL_AK0136SA0303 [0,2,0,0,0,0|1,1,0]=4 902 B14R1.322 CCC(C)(C)C(=O)NCc1ccco1 WXVL_AK0010SB0355 [0,2,0,0,0,0|2,0,0]=4 903 B14R1.322 CCC(C)(C)C(=O)NCc1ccco1 WXVL_AK0010SB0355 [0,2,0,0,0,0|2,0,0]=4 904 B14R1.322 CCC(C)(O)C(=O)NCc1ccco1 WXVL_AK0010SB3009 [0,2,0,0,0,0|2,0,0]=4 905 B14R1.322 CCC(C)(O)C(=O)NCc1ccco1 WXVL_AK0010SB3009 [0,2,0,0,0,0|2,0,0]=4 906 B14R1.411 CCC(CC)C(=O)NCc1ccco1 WXVL_AK0010SB0055 [0,2,0,0,0,0|2,0,0]=4 907 B14R1.411 CCC(CC)C(=O)NCc1ccco1 WXVL_AK0010SB0055 [0,2,0,0,0,0|2,0,0]=4 908 B14R1.411 CCN(CC)C(=O)CCc1ccc[nH]1 WXVL_AN0042SA0009 [0,2,0,0,0,0|2,0,0]=4 909 B14R1.411 CCN(CC)C(=O)CCc1ccc[nH]1 WXVL_AN0042SA0009 [0,2,0,0,0,0|2,0,0]=4 910 B14R1.411 CCN(CC)C(=O)CCc1ccco1 WXVL_AN0042SA0167 [0,2,0,0,0,0|1,0,0]=3 911 B14R1.411 CCN(CC)C(=O)CCc1ccco1 WXVL_AN0042SA0167 [0,2,0,0,0,0|1,0,0]=3 912 B14R1.411 CCN(CC)C(=O)CCc1cccs1 WXVL_AN0042SA0303 [0,2,0,0,0,0|1,1,0]=4 913 B14R1.411 CCN(CC)C(=O)CCc1cccs1 WXVL_AN0042SA0303 [0,2,0,0,0,0|1,1,0]=4 914 B14R1.3224 CC(C)C(=O)C(=O)NCc1ccco1 WXVL_AK0010SB2578 [0,2,0,0,0,0|2,0,0]=4 915 B14R1.3224 CC(C)C(=O)C(=O)NCc1ccco1 WXVL_AK0010SB2578 [0,2,0,0,0,0|2,0,0]=4 916 B14R1.3224 CC(C)C(O)C(=O)NCc1ccco1 WXVL_AK0010SB1147 [0,2,0,0,0,0|2,0,0]=4 917 B14R1.3224 CC(C)C(O)C(=O)NCc1ccco1 WXVL_AK0010SB1147 [0,2,0,0,0,0|2,0,0]=4 918 B14R1.3224 CC(C)N(C)C(=O)CCc1ccc[nH]1 WXVL_AN0073SA0009 [0,2,0,0,0,0|2,0,0]=4 919 B14R1.3224 CC(C)N(C)C(=O)CCc1ccc[nH]1 WXVL_AN0073SA0009 [0,2,0,0,0,0|2,0,0]=4 920 B14R1.3224 CC(C)N(C)C(=O)CCc1ccco1 WXVL_AN0073SA0167 [0,2,0,0,0,0|1,0,0]=3 921 B14R1.3224 CC(C)N(C)C(=O)CCc1ccco1 WXVL_AN0073SA0167 [0,2,0,0,0,0|1,0,0]=3 922 B14R1.3224 CC(C)N(C)C(=O)CCc1cccs1 WXVL_AN0073SA0303 [0,2,0,0,0,0|1,1,0]=4 923 B14R1.3224 CC(C)N(C)C(=O)CCc1cccs1 WXVL_AN0073SA0303 [0,2,0,0,0,0|1,1,0]=4 924 B14R1.9400 CC(C)(C)CC(=O)NCc1ccco1 WXVL_AK0010SB0062 [0,2,0,0,0,0|2,0,0]=4 925 B14R1.9400 CC(C)(C)CC(=O)NCc1ccco1 WXVL_AK0010SB0062 [0,2,0,0,0,0|2,0,0]=4 926 B14R1.9400 CC(C)(C)NC(=O)CCc1ccc[nH]1 WXVL_AK0024SA0009 [0,2,0,0,0,0|2,0,0]=4 927 B14R1.9400 CC(C)(C)NC(=O)CCc1ccc[nH]1 WXVL_AK0024SA0009 [0,2,0,0,0,0|2,0,0]=4 928 B14R1.9400 CC(C)(C)NC(=O)CCc1ccco1 WXVL_AK0024SA0167 [0,2,0,0,0,0|1,0,0]=3 929 B14R1.9400 CC(C)(C)NC(=O)CCc1ccco1 WXVL_AK0024SA0167 [0,2,0,0,0,0|1,0,0]=3 930 B14R1.9400 CC(C)(C)NC(=O)CCc1cccs1 WXVL_AK0024SA0303 [0,2,0,0,0,0|1,1,0]=4 931 B14R1.9400 CC(C)(C)NC(=O)CCc1cccs1 WXVL_AK0024SA0303 [0,2,0,0,0,0|1,1,0]=4 932 B14R1.9400 CC(C)(O)CC(=O)NCc1ccco1 WXVL_AK0010SB0163 [0,2,0,0,0,0|2,0,0]=4 933 B14R1.9400 CC(C)(O)CC(=O)NCc1ccco1 WXVL_AK0010SB0163 [0,2,0,0,0,0|2,0,0]=4 934 B14R2.21 O=C1CN(CCO1)c2ccncn2 WXVL_AN4960LP3358 [0,0,0,1,0,1|2,0,0]=4 935 B14R2.21 O=C1CN(CCO1)c2ncccn2 WXVL_AN4960LP0002 [0,0,0,1,0,1|2,0,0]=4 936 B14R2.31850 O=C(NCCc1ccco1)C2CC2 WXVL_AK0989SB0038 [0,0,0,1,0,1|1,0,0]=3 937 B14R2.31850 O=C(NCCc1ccco1)C2CC2 WXVL_AK0989SB0038 [0,0,0,1,0,1|1,0,0]=3 938 B14R2.31850 O=C(NCCc1cccs1)C2CC2 WXVL_AK0098SB0038 [0,0,0,1,0,1|1,1,0]=4 939 B14R2.31850 O=C(NCCc1cccs1)C2CC2 WXVL_AK0098SB0038 [0,0,0,1,0,1|1,1,0]=4 940 B14R2.674 CC1CC1C(=O)NCc2ccco2 WXVL_AK0010SB0041 [0,1,0,1,0,0|2,0,0]=4 941 B14R2.674 CC1CC1C(=O)NCc2ccco2 WXVL_AK0010SB0041 [0,1,0,1,0,0|2,0,0]=4 942 B14R2.674 O=C(NCc1ccco1)[C@@H]2C[C@@H]2F WXVL_AK0010SB1245 [0,1,0,1,0,0|2,0,0]=4 943 B14R2.674 O=C(NCc1ccco1)[C@@H]2C[C@@H]2F WXVL_AK0010SB1245 [0,1,0,1,0,0|2,0,0]=4 944 B14R2.674 O=C(NCc1ccco1)[C@H]2C[C@H]2F WXVL_AK0010SB00019 [0,1,0,1,0,0|2,0,0]=4 945 B14R2.674 O=C(NCc1ccco1)[C@H]2C[C@H]2F WXVL_AK0010SB00019 [0,1,0,1,0,0|2,0,0]=4 946 B14R2.13184 O=C(CC1CC1)NCc2ccco2 WXVL_AK0010SB0155 [0,1,0,1,0,0|2,0,0]=4 947 B14R2.13184 O=C(CC1CC1)NCc2ccco2 WXVL_AK0010SB0155 [0,1,0,1,0,0|2,0,0]=4 948 B14R2.13184 O=C(CCc1ccc[nH]1)NC2CC2 WXVL_AK0001SA0009 [0,1,0,1,0,0|2,0,0]=4 949 B14R2.13184 O=C(CCc1ccc[nH]1)NC2CC2 WXVL_AK0001SA0009 [0,1,0,1,0,0|2,0,0]=4 950 B14R2.13184 O=C(CCc1ccco1)NC2CC2 WXVL_AK0001SA0167 [0,1,0,1,0,0|1,0,0]=3 951 B14R2.13184 O=C(CCc1ccco1)NC2CC2 WXVL_AK0001SA0167 [0,1,0,1,0,0|1,0,0]=3 952 B14R2.13184 O=C(CCc1cccs1)NC2CC2 WXVL_AK0001SA0303 [0,1,0,1,0,0|1,1,0]=4 953 B14R2.13184 O=C(CCc1cccs1)NC2CC2 WXVL_AK0001SA0303 [0,1,0,1,0,0|1,1,0]=4 954 B14R2.40225 O=C(NCc1ccco1)C2CCC2 WXVL_AK0010SB0042 [0,1,0,1,0,0|2,0,0]=4 955 B14R2.40225 O=C(NCc1ccco1)C2CCC2 WXVL_AK0010SB0042 [0,1,0,1,0,0|2,0,0]=4 956 B14R2.13183 CC1(CC1)C(=O)NCc2ccco2 WXVL_AK0010SB0040 [0,1,0,1,0,0|2,0,0]=4 957 B14R2.13183 CC1(CC1)C(=O)NCc2ccco2 WXVL_AK0010SB0040 [0,1,0,1,0,0|2,0,0]=4 958 B14R2.13183 O=C(NCc1ccco1)C2(CC2)Br WXVL_AK0010SB5517 [0,1,0,1,0,0|2,0,0]=4 959 B14R2.13183 O=C(NCc1ccco1)C2(CC2)Br WXVL_AK0010SB5517 [0,1,0,1,0,0|2,0,0]=4 960 B14R2.13183 O=C(NCc1ccco1)C2(CC2)F WXVL_AK0010SB0218 [0,1,0,1,0,0|2,0,0]=4 961 B14R2.13183 O=C(NCc1ccco1)C2(CC2)F WXVL_AK0010SB0218 [0,1,0,1,0,0|2,0,0]=4 962 B14R2.13183 O=C(NCc1ccco1)C2(CC2)O WXVL_AK0010SB2965 [0,1,0,1,0,0|2,0,0]=4 963 B14R2.13183 O=C(NCc1ccco1)C2(CC2)O WXVL_AK0010SB2965 [0,1,0,1,0,0|2,0,0]=4 964 B10R1.27 CCC(=O)Nc1ccno1 WXVL_AF0588SB0064 [1,0,0,0,1,0|2,0,0]=4 965 B10R1.27 CCC(=O)Nc1ccno1 WXVL_AF0588SB0064 [1,0,0,0,1,0|2,0,0]=4 966 B10R1.27 CCC(=O)Nc1ncco1 WXVL_AF0235SB0064 [1,0,0,0,1,0|2,0,0]=4 967 B10R1.27 CCC(=O)Nc1ncco1 WXVL_AF0235SB0064 [1,0,0,0,1,0|2,0,0]=4 968 B10R1.27 CNC(=O)Cc1cccs1 WXVL_AK00442SA0018 [1,0,0,0,1,0|1,1,0]=4 969 B10R1.27 CNC(=O)Cc1cccs1 WXVL_AK00442SA0018 [1,0,0,0,1,0|1,1,0]=4 970 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [0,0,0,0,2,0|1,0,0]=3 971 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [0,0,0,0,2,0|1,0,0]=3 972 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [0,0,0,0,2,0|1,1,0]=4 973 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [0,0,0,0,2,0|1,1,0]=4 974 B10R1.11 CCNC(=O)c1ccno1 WXVL_AK00476SC0080 [0,0,0,0,2,0|2,0,0]=4 975 B10R1.11 CCNC(=O)c1ccno1 WXVL_AK00476SC0080 [0,0,0,0,2,0|2,0,0]=4 976 B10R1.11 CCNC(=O)c1cnco1 WXVL_AK00476SC0018 [0,0,0,0,2,0|2,0,0]=4 977 B10R1.11 CCNC(=O)c1cnco1 WXVL_AK00476SC0018 [0,0,0,0,2,0|2,0,0]=4 978 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [1,0,0,0,0,1|2,0,0]=4 979 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [1,0,0,0,0,1|2,0,0]=4 980 B12R1.27 CCC(=O)NCc1ccccn1 WXVL_AK0018SB0064 [1,0,0,0,0,1|2,0,0]=4 981 B12R1.27 CCC(=O)NCc1ccccn1 WXVL_AK0018SB0064 [1,0,0,0,0,1|2,0,0]=4 982 B12R1.27 CCC(=O)NCc1cccnc1 WXVL_AK0020SB0064 [1,0,0,0,0,1|2,0,0]=4 983 B12R1.27 CCC(=O)NCc1cccnc1 WXVL_AK0020SB0064 [1,0,0,0,0,1|2,0,0]=4 984 B12R1.27 CCC(=O)NCc1ccncc1 WXVL_AK0021SB0064 [1,0,0,0,0,1|2,0,0]=4 985 B12R1.27 CCC(=O)NCc1ccncc1 WXVL_AK0021SB0064 [1,0,0,0,0,1|2,0,0]=4 986 B12R1.27 CCC(=O)NCc1ccncn1 WXVL_AK1356SB0064 [1,0,0,0,0,1|2,0,0]=4 987 B12R1.27 CCC(=O)NCc1ccncn1 WXVL_AK1356SB0064 [1,0,0,0,0,1|2,0,0]=4 988 B12R1.27 CCC(=O)NCc1cnccn1 WXVL_AK00262SB0064 [1,0,0,0,0,1|2,0,0]=4 989 B12R1.27 CCC(=O)NCc1cnccn1 WXVL_AK00262SB0064 [1,0,0,0,0,1|2,0,0]=4 990 B12R1.27 CCC(=O)NCc1ncccn1 WXVL_AK0279SB0064 [1,0,0,0,0,1|2,0,0]=4 991 B12R1.27 CCC(=O)NCc1ncccn1 WXVL_AK0279SB0064 [1,0,0,0,0,1|2,0,0]=4 992 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [1,0,0,0,0,1|2,0,0]=4 993 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [1,0,0,0,0,1|2,0,0]=4 994 B12R1.27 CNC(=O)CCc1ccccn1 WXVL_AK00442SA0316 [1,0,0,0,0,1|2,0,0]=4 995 B12R1.27 CNC(=O)CCc1ccccn1 WXVL_AK00442SA0316 [1,0,0,0,0,1|2,0,0]=4 996 B12R1.27 CNC(=O)CCc1cccnc1 WXVL_AK00442SA0031 [1,0,0,0,0,1|2,0,0]=4 997 B12R1.27 CNC(=O)CCc1cccnc1 WXVL_AK00442SA0031 [1,0,0,0,0,1|2,0,0]=4 998 B12R1.27 CNC(=O)CCc1cnccn1 WXVL_AK00442SA2354 [1,0,0,0,0,1|2,0,0]=4 999 B12R1.27 CNC(=O)CCc1cnccn1 WXVL_AK00442SA2354 [1,0,0,0,0,1|2,0,0]=4 1000 B14R1.520 CCCC(=O)NCCc1ccccc1 WXVL_AK00498SB0073 [0,0,0,0,0,2|2,0,0]=4 1001 B14R1.520 CCCC(=O)NCCc1ccccc1 WXVL_AK00498SB0073 [0,0,0,0,0,2|2,0,0]=4 1002 B14R1.520 CCCC(=O)NCCc1ccccn1 WXVL_AK0019SB0073 [0,0,0,0,0,2|2,0,0]=4 1003 B14R1.520 CCCC(=O)NCCc1ccccn1 WXVL_AK0019SB0073 [0,0,0,0,0,2|2,0,0]=4 1004 B14R1.520 CCCC(=O)NCCc1cccnc1 WXVL_AK00436SB0073 [0,0,0,0,0,2|2,0,0]=4 1005 B14R1.520 CCCC(=O)NCCc1cccnc1 WXVL_AK00436SB0073 [0,0,0,0,0,2|2,0,0]=4 1006 B14R1.520 CCCC(=O)NCCc1ccncc1 WXVL_AK0093SB0073 [0,0,0,0,0,2|2,0,0]=4 1007 B14R1.520 CCCC(=O)NCCc1ccncc1 WXVL_AK0093SB0073 [0,0,0,0,0,2|2,0,0]=4 1008 B14R1.520 CCCC(=O)NCCc1ccncn1 WXVL_AK6509SB0073 [0,0,0,0,0,2|2,0,0]=4 1009 B14R1.520 CCCC(=O)NCCc1ccncn1 WXVL_AK6509SB0073 [0,0,0,0,0,2|2,0,0]=4 1010 B14R1.520 CCNC(=O)CCCc1ccccc1 WXVL_AK00476SB0121 [0,0,0,0,0,2|2,0,0]=4 1011 B14R1.520 CCNC(=O)CCCc1ccccc1 WXVL_AK00476SB0121 [0,0,0,0,0,2|2,0,0]=4 1012 B14R1.520 CCNC(=O)CCOc1ccccc1 WXVL_AK00476SB0066 [0,0,0,0,0,2|2,0,0]=4 1013 B14R1.520 CCNC(=O)CCOc1ccccc1 WXVL_AK00476SB0066 [0,0,0,0,0,2|2,0,0]=4 1014 B14R1.520 CCNC(=O)COCc1ccccc1 WXVL_AK00476SB0185 [0,0,0,0,0,2|2,0,0]=4 1015 B14R1.520 CCNC(=O)COCc1ccccc1 WXVL_AK00476SB0185 [0,0,0,0,0,2|2,0,0]=4 1016 B14R1.520 CCOC(=O)CCNc1ccncn1 WXVL_AK0465LP3358 [0,0,0,0,0,2|1,0,0]=3 1017 B14R1.520 CCOC(=O)CCNc1ccncn1 WXVL_AK0465LP3358 [0,0,0,0,0,2|1,0,0]=3 1018 B14R1.520 CCOC(=O)CCNc1ncccn1 WXVL_AK0465LP0002 [0,0,0,0,0,2|1,0,0]=3 1019 B14R1.520 CCOC(=O)CCNc1ncccn1 WXVL_AK0465LP0002 [0,0,0,0,0,2|1,0,0]=3