0 B11R0.4 C#CCC(=O)NCCCCCC WXVL_AK0286SB3070 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.4 C#CCC(=O)NCCCCCC WXVL_AK0286SB3070 [0,0,0,0,0,0|2,0,2]=4 2 B11R0.4 C#CCCCCNC(=O)CCC WXVL_AK00614SB0073 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.4 C#CCCCCNC(=O)CCC WXVL_AK00614SB0073 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,0,0,0,0,0|2,0,1]=3 5 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,0,0,0,0,0|2,0,1]=3 6 B11R0.4 C/C=C/C(=O)NCCCCCO WXVL_AK0077SB0340 [0,0,0,0,0,0|3,0,1]=4 7 B11R0.4 C/C=C/C(=O)NCCCCCO WXVL_AK0077SB0340 [0,0,0,0,0,0|3,0,1]=4 8 B11R0.4 C/C=C/C(=O)NCCCOCC WXVL_AK0072SB0340 [0,0,0,0,0,0|3,0,1]=4 9 B11R0.4 C/C=C/C(=O)NCCCOCC WXVL_AK0072SB0340 [0,0,0,0,0,0|3,0,1]=4 10 B11R0.4 C=CCC(=O)NCCCCCC WXVL_AK0286SB2732 [0,0,0,0,0,0|2,0,2]=4 11 B11R0.4 C=CCC(=O)NCCCCCC WXVL_AK0286SB2732 [0,0,0,0,0,0|2,0,2]=4 12 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [0,0,0,0,0,0|2,0,1]=3 13 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [0,0,0,0,0,0|2,0,1]=3 14 B11R0.4 CC#CC(=O)NCCCCCO WXVL_AK0077SB1240 [0,0,0,0,0,0|3,0,1]=4 15 B11R0.4 CC#CC(=O)NCCCCCO WXVL_AK0077SB1240 [0,0,0,0,0,0|3,0,1]=4 16 B11R0.4 CC#CC(=O)NCCCOCC WXVL_AK0072SB1240 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.4 CC#CC(=O)NCCCOCC WXVL_AK0072SB1240 [0,0,0,0,0,0|3,0,1]=4 18 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [0,0,0,0,0,0|3,0,0]=3 19 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [0,0,0,0,0,0|3,0,0]=3 20 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,0,0,0,0,0|3,0,0]=3 21 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,0,0,0,0,0|3,0,0]=3 22 B11R0.4 CCCC(=O)NCCNCCO WXVL_AK0954SB0073 [0,0,0,0,0,0|4,0,0]=4 23 B11R0.4 CCCC(=O)NCCNCCO WXVL_AK0954SB0073 [0,0,0,0,0,0|4,0,0]=4 24 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,0,0,0,0,0|1,0,2]=3 25 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,0,0,0,0,0|1,0,2]=3 26 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,0,0,0,0,0|1,0,0]=1 27 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,0,0,0,0,0|1,0,0]=1 28 B11R0.4 CCCCCCNC(=O)CC#N WXVL_AK0286SB0057 [0,0,0,0,0,0|3,0,1]=4 29 B11R0.4 CCCCCCNC(=O)CC#N WXVL_AK0286SB0057 [0,0,0,0,0,0|3,0,1]=4 30 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,0,0,0,0,0|2,0,0]=2 31 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,0,0,0,0,0|2,0,0]=2 32 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,0,0,0,0,0|3,0,0]=3 33 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,0,0,0,0,0|3,0,0]=3 34 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,0,0,0,0,0|3,0,0]=3 35 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,0,0,0,0,0|3,0,0]=3 36 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,0,0,0,0,0|2,0,0]=2 37 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,0,0,0,0,0|2,0,0]=2 38 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,0,0,0,0,0|4,0,0]=4 39 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,0,0,0,0,0|4,0,0]=4 40 B11R0.4 CCOCCCNC(=O)CSC WXVL_AK0072SB1267 [0,0,0,0,0,0|4,0,0]=4 41 B11R0.4 CCOCCCNC(=O)CSC WXVL_AK0072SB1267 [0,0,0,0,0,0|4,0,0]=4 42 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,0,0,0,0,0|4,0,0]=4 43 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,0,0,0,0,0|4,0,0]=4 44 B11R0.4 CSCC(=O)NCCCCCO WXVL_AK0077SB1267 [0,0,0,0,0,0|4,0,0]=4 45 B11R0.4 CSCC(=O)NCCCCCO WXVL_AK0077SB1267 [0,0,0,0,0,0|4,0,0]=4 46 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [1,0,0,0,0,0|2,0,1]=4 47 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [1,0,0,0,0,0|2,0,1]=4 48 B10R0.1 CC#CC(=O)NCCCCC WXVL_AK0076SB1240 [1,0,0,0,0,0|2,0,1]=4 49 B10R0.1 CC#CC(=O)NCCCCC WXVL_AK0076SB1240 [1,0,0,0,0,0|2,0,1]=4 50 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [1,0,0,0,0,0|3,0,0]=4 51 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [1,0,0,0,0,0|3,0,0]=4 52 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [1,0,0,0,0,0|3,0,0]=4 53 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [1,0,0,0,0,0|3,0,0]=4 54 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [1,0,0,0,0,0|3,0,0]=4 55 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [1,0,0,0,0,0|3,0,0]=4 56 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [1,0,0,0,0,0|3,0,0]=4 57 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [1,0,0,0,0,0|3,0,0]=4 58 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [1,0,0,0,0,0|2,0,0]=3 59 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [1,0,0,0,0,0|2,0,0]=3 60 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [1,0,0,0,0,0|3,0,0]=4 61 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [1,0,0,0,0,0|3,0,0]=4 62 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [1,0,0,0,0,0|3,0,0]=4 63 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [1,0,0,0,0,0|3,0,0]=4 64 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [1,0,0,0,0,0|2,0,0]=3 65 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [1,0,0,0,0,0|2,0,0]=3 66 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [1,0,0,0,0,0|2,0,0]=3 67 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [1,0,0,0,0,0|2,0,0]=3 68 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [1,0,0,0,0,0|3,0,0]=4 69 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [1,0,0,0,0,0|3,0,0]=4 70 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [1,0,0,0,0,0|1,0,2]=4 71 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [1,0,0,0,0,0|1,0,2]=4 72 B10R0.74 C#CCCCCNC(=O)CC WXVL_AK00614SB0064 [1,0,0,0,0,0|1,0,2]=4 73 B10R0.74 C#CCCCCNC(=O)CC WXVL_AK00614SB0064 [1,0,0,0,0,0|1,0,2]=4 74 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,0,0,0,0,0|2,0,0]=3 75 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,0,0,0,0,0|2,0,0]=3 76 B10R0.74 CCC(=O)NCCNCCO WXVL_AK0954SB0064 [1,0,0,0,0,0|3,0,0]=4 77 B10R0.74 CCC(=O)NCCNCCO WXVL_AK0954SB0064 [1,0,0,0,0,0|3,0,0]=4 78 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [1,0,0,0,0,0|1,0,2]=4 79 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [1,0,0,0,0,0|1,0,2]=4 80 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [1,0,0,0,0,0|1,0,0]=2 81 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [1,0,0,0,0,0|1,0,0]=2 82 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,0,0,0,0,0|1,0,0]=2 83 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,0,0,0,0,0|1,0,0]=2 84 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [1,0,0,0,0,0|2,0,0]=3 85 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [1,0,0,0,0,0|2,0,0]=3 86 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [1,0,0,0,0,0|2,0,0]=3 87 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [1,0,0,0,0,0|2,0,0]=3 88 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [1,0,0,0,0,0|3,0,0]=4 89 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [1,0,0,0,0,0|3,0,0]=4 90 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [1,0,0,0,0,0|2,0,0]=3 91 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [1,0,0,0,0,0|2,0,0]=3 92 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [1,0,0,0,0,0|3,0,0]=4 93 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [1,0,0,0,0,0|3,0,0]=4 94 B12R0.1 C/C=C/C(=O)NCCCCCCO WXVL_AK0751SB0340 [0,1,0,0,0,0|2,0,1]=4 95 B12R0.1 C/C=C/C(=O)NCCCCCCO WXVL_AK0751SB0340 [0,1,0,0,0,0|2,0,1]=4 96 B12R0.1 C/C=C/C(=O)NCCOCCCC WXVL_AK9674SB0340 [0,1,0,0,0,0|2,0,1]=4 97 B12R0.1 C/C=C/C(=O)NCCOCCCC WXVL_AK9674SB0340 [0,1,0,0,0,0|2,0,1]=4 98 B12R0.1 CC#CC(=O)NCCCCCCO WXVL_AK0751SB1240 [0,1,0,0,0,0|2,0,1]=4 99 B12R0.1 CC#CC(=O)NCCCCCCO WXVL_AK0751SB1240 [0,1,0,0,0,0|2,0,1]=4 100 B12R0.1 CC#CC(=O)NCCOCCCC WXVL_AK9674SB1240 [0,1,0,0,0,0|2,0,1]=4 101 B12R0.1 CC#CC(=O)NCCOCCCC WXVL_AK9674SB1240 [0,1,0,0,0,0|2,0,1]=4 102 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,1,0,0,0,0|2,0,0]=3 103 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,1,0,0,0,0|2,0,0]=3 104 B12R0.1 CCCC(=O)NCCOCCOC WXVL_AK2206SB0073 [0,1,0,0,0,0|3,0,0]=4 105 B12R0.1 CCCC(=O)NCCOCCOC WXVL_AK2206SB0073 [0,1,0,0,0,0|3,0,0]=4 106 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,1,0,0,0,0|1,0,0]=2 107 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,1,0,0,0,0|1,0,0]=2 108 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,1,0,0,0,0|2,0,0]=3 109 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,1,0,0,0,0|2,0,0]=3 110 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,1,0,0,0,0|3,0,0]=4 111 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,1,0,0,0,0|3,0,0]=4 112 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,1,0,0,0,0|3,0,0]=4 113 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,1,0,0,0,0|3,0,0]=4 114 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,1,0,0,0,0|1,0,0]=2 115 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,1,0,0,0,0|1,0,0]=2 116 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,1,0,0,0,0|1,0,0]=2 117 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,1,0,0,0,0|1,0,0]=2 118 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,1,0,0,0,0|3,0,0]=4 119 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,1,0,0,0,0|3,0,0]=4 120 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,1,0,0,0,0|3,0,0]=4 121 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,1,0,0,0,0|3,0,0]=4 122 B12R0.4 CC(C)CC(=O)NCCCCCO WXVL_AK0077SB0063 [0,1,0,0,0,0|3,0,0]=4 123 B12R0.4 CC(C)CC(=O)NCCCCCO WXVL_AK0077SB0063 [0,1,0,0,0,0|3,0,0]=4 124 B12R0.4 CC(C)NC(=O)CCCCCCBr WXVL_AK0030SB1386 [0,1,0,0,0,0|2,0,0]=3 125 B12R0.4 CC(C)NC(=O)CCCCCCBr WXVL_AK0030SB1386 [0,1,0,0,0,0|2,0,0]=3 126 B12R0.4 CC(O)CC(=O)NCCCCCO WXVL_AK0077SB3643 [0,1,0,0,0,0|3,0,0]=4 127 B12R0.4 CC(O)CC(=O)NCCCCCO WXVL_AK0077SB3643 [0,1,0,0,0,0|3,0,0]=4 128 B12R0.4 CCCCC/C=C/C(=O)NC(C)C WXVL_AK0030SB3331 [0,1,0,0,0,0|1,0,2]=4 129 B12R0.4 CCCCC/C=C/C(=O)NC(C)C WXVL_AK0030SB3331 [0,1,0,0,0,0|1,0,2]=4 130 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [0,1,0,0,0,0|1,0,0]=2 131 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [0,1,0,0,0,0|1,0,0]=2 132 B12R0.4 CCCCCCNC(=O)C=C(C)C WXVL_AK0286SB0342 [0,1,0,0,0,0|2,0,1]=4 133 B12R0.4 CCCCCCNC(=O)C=C(C)C WXVL_AK0286SB0342 [0,1,0,0,0,0|2,0,1]=4 134 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [0,1,0,0,0,0|2,0,0]=3 135 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [0,1,0,0,0,0|2,0,0]=3 136 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [0,1,0,0,0,0|2,0,0]=3 137 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [0,1,0,0,0,0|2,0,0]=3 138 B12R0.4 CCCCCCNC(=O)CN(C)C WXVL_AK0286SB0085 [0,1,0,0,0,0|3,0,0]=4 139 B12R0.4 CCCCCCNC(=O)CN(C)C WXVL_AK0286SB0085 [0,1,0,0,0,0|3,0,0]=4 140 B12R0.4 CCOCCCNC(=O)CC(C)C WXVL_AK0072SB0063 [0,1,0,0,0,0|3,0,0]=4 141 B12R0.4 CCOCCCNC(=O)CC(C)C WXVL_AK0072SB0063 [0,1,0,0,0,0|3,0,0]=4 142 B12R0.4 CCOCCCNC(=O)CC(C)O WXVL_AK0072SB3643 [0,1,0,0,0,0|3,0,0]=4 143 B12R0.4 CCOCCCNC(=O)CC(C)O WXVL_AK0072SB3643 [0,1,0,0,0,0|3,0,0]=4 144 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC WXVL_AK0286SB0343 [0,1,0,0,0,0|2,0,1]=4 145 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC WXVL_AK0286SB0343 [0,1,0,0,0,0|2,0,1]=4 146 B12R0.49 CCC(=O)C(=O)NCCCCCO WXVL_AK0077SB0344 [0,1,0,0,0,0|3,0,0]=4 147 B12R0.49 CCC(=O)C(=O)NCCCCCO WXVL_AK0077SB0344 [0,1,0,0,0,0|3,0,0]=4 148 B12R0.49 CCC(C)C(=O)NCCCCCO WXVL_AK0077SB0054 [0,1,0,0,0,0|3,0,0]=4 149 B12R0.49 CCC(C)C(=O)NCCCCCO WXVL_AK0077SB0054 [0,1,0,0,0,0|3,0,0]=4 150 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,1,0,0,0,0|2,0,0]=3 151 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,1,0,0,0,0|2,0,0]=3 152 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [0,1,0,0,0,0|2,0,0]=3 153 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [0,1,0,0,0,0|2,0,0]=3 154 B12R0.49 CCCCCCNC(=O)[C@@H](C)OC WXVL_AK0286SB2926 [0,1,0,0,0,0|3,0,0]=4 155 B12R0.49 CCCCCCNC(=O)[C@@H](C)OC WXVL_AK0286SB2926 [0,1,0,0,0,0|3,0,0]=4 156 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [0,1,0,0,0,0|2,0,0]=3 157 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [0,1,0,0,0,0|2,0,0]=3 158 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [0,1,0,0,0,0|2,0,0]=3 159 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [0,1,0,0,0,0|2,0,0]=3 160 B12R0.49 CCOCCCNC(=O)C(=O)CC WXVL_AK0072SB0344 [0,1,0,0,0,0|3,0,0]=4 161 B12R0.49 CCOCCCNC(=O)C(=O)CC WXVL_AK0072SB0344 [0,1,0,0,0,0|3,0,0]=4 162 B12R0.49 CCOCCCNC(=O)C(C)CC WXVL_AK0072SB0054 [0,1,0,0,0,0|3,0,0]=4 163 B12R0.49 CCOCCCNC(=O)C(C)CC WXVL_AK0072SB0054 [0,1,0,0,0,0|3,0,0]=4 164 B12R0.49 CCOCCCNC(=O)[C@@H](O)CC WXVL_AK0072SB3573 [0,1,0,0,0,0|3,0,0]=4 165 B12R0.49 CCOCCCNC(=O)[C@@H](O)CC WXVL_AK0072SB3573 [0,1,0,0,0,0|3,0,0]=4 166 B12R0.49 CCOCCCNC(=O)[C@H](C)CC WXVL_AK0072SB00054 [0,1,0,0,0,0|3,0,0]=4 167 B12R0.49 CCOCCCNC(=O)[C@H](C)CC WXVL_AK0072SB00054 [0,1,0,0,0,0|3,0,0]=4 168 B12R0.49 CC[C@@H](C)C(=O)NCCCCCO WXVL_AK0077SB00054 [0,1,0,0,0,0|3,0,0]=4 169 B12R0.49 CC[C@@H](C)C(=O)NCCCCCO WXVL_AK0077SB00054 [0,1,0,0,0,0|3,0,0]=4 170 B12R0.49 CC[C@H](O)C(=O)NCCCCCO WXVL_AK0077SB3573 [0,1,0,0,0,0|3,0,0]=4 171 B12R0.49 CC[C@H](O)C(=O)NCCCCCO WXVL_AK0077SB3573 [0,1,0,0,0,0|3,0,0]=4 172 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [0,1,0,0,0,0|1,0,0]=2 173 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [0,1,0,0,0,0|1,0,0]=2 174 B12R0.101 CCCNC(=O)NCC(=O)OCC WXVL_AK00504YV0151 [0,1,0,0,0,0|2,0,1]=4 175 B12R0.101 CCCNC(=O)NCC(=O)OCC WXVL_AK00504YV0151 [0,1,0,0,0,0|2,0,1]=4 176 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [0,1,0,0,0,0|1,0,1]=3 177 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [0,1,0,0,0,0|1,0,1]=3 178 B12R0.114 CCOC(=O)C(=O)NCCCCO WXVL_AK0075SB4144 [0,1,0,0,0,0|2,0,1]=4 179 B12R0.114 CCOC(=O)C(=O)NCCCCO WXVL_AK0075SB4144 [0,1,0,0,0,0|2,0,1]=4 180 B12R0.114 CCOC(=O)C(=O)NCCCOC WXVL_AK00637SB4144 [0,1,0,0,0,0|2,0,1]=4 181 B12R0.114 CCOC(=O)C(=O)NCCCOC WXVL_AK00637SB4144 [0,1,0,0,0,0|2,0,1]=4 182 B12R0.114 CCOC(=O)C(=O)NCCCSC WXVL_AK0965SB4144 [0,1,0,0,0,0|2,0,1]=4 183 B12R0.114 CCOC(=O)C(=O)NCCCSC WXVL_AK0965SB4144 [0,1,0,0,0,0|2,0,1]=4 184 B12R0.114 CCOC(=O)C(=O)NCCSCC WXVL_AK00494SB4144 [0,1,0,0,0,0|2,0,1]=4 185 B12R0.114 CCOC(=O)C(=O)NCCSCC WXVL_AK00494SB4144 [0,1,0,0,0,0|2,0,1]=4 186 B12R0.206 C#CCCC(=O)NCCCCCC WXVL_AK0286SB2189 [0,1,0,0,0,0|2,0,1]=4 187 B12R0.206 C#CCCC(=O)NCCCCCC WXVL_AK0286SB2189 [0,1,0,0,0,0|2,0,1]=4 188 B12R0.206 C#CCCCCNC(=O)COCC WXVL_AK00614SB0091 [0,1,0,0,0,0|1,0,2]=4 189 B12R0.206 C#CCCCCNC(=O)COCC WXVL_AK00614SB0091 [0,1,0,0,0,0|1,0,2]=4 190 B12R0.206 C=CCCC(=O)NCCCCCC WXVL_AK0286SB1035 [0,1,0,0,0,0|2,0,1]=4 191 B12R0.206 C=CCCC(=O)NCCCCCC WXVL_AK0286SB1035 [0,1,0,0,0,0|2,0,1]=4 192 B12R0.206 C=CCNC(=O)CCCCCCBr WXVL_AK00561SB1386 [0,1,0,0,0,0|2,0,1]=4 193 B12R0.206 C=CCNC(=O)CCCCCCBr WXVL_AK00561SB1386 [0,1,0,0,0,0|2,0,1]=4 194 B12R0.206 C=CCNC(=O)CCCCCCC WXVL_AK00561SB0393 [0,1,0,0,0,0|1,0,1]=3 195 B12R0.206 C=CCNC(=O)CCCCCCC WXVL_AK00561SB0393 [0,1,0,0,0,0|1,0,1]=3 196 B12R0.206 CCCCC/C=C/C(=O)NCCC WXVL_AK00504SB3331 [0,1,0,0,0,0|1,0,2]=4 197 B12R0.206 CCCCC/C=C/C(=O)NCCC WXVL_AK00504SB3331 [0,1,0,0,0,0|1,0,2]=4 198 B12R0.206 CCCCC/C=C/C(=O)NCCF WXVL_AK00466SB3331 [0,1,0,0,0,0|1,0,2]=4 199 B12R0.206 CCCCC/C=C/C(=O)NCCF WXVL_AK00466SB3331 [0,1,0,0,0,0|1,0,2]=4 200 B12R0.206 CCCCCCCC(=O)NCC#N WXVL_AK0683SB0393 [0,1,0,0,0,0|1,0,1]=3 201 B12R0.206 CCCCCCCC(=O)NCC#N WXVL_AK0683SB0393 [0,1,0,0,0,0|1,0,1]=3 202 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,1,0,0,0,0|1,0,0]=2 203 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,1,0,0,0,0|1,0,0]=2 204 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [0,1,0,0,0,0|1,0,0]=2 205 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [0,1,0,0,0,0|1,0,0]=2 206 B12R0.206 CCCCCCNC(=O)/C=C/CBr WXVL_AK0286SB0424 [0,1,0,0,0,0|2,0,1]=4 207 B12R0.206 CCCCCCNC(=O)/C=C/CBr WXVL_AK0286SB0424 [0,1,0,0,0,0|2,0,1]=4 208 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,1,0,0,0,0|2,0,0]=3 209 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,1,0,0,0,0|2,0,0]=3 210 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,1,0,0,0,0|2,0,0]=3 211 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,1,0,0,0,0|2,0,0]=3 212 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,1,0,0,0,0|1,0,0]=2 213 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,1,0,0,0,0|1,0,0]=2 214 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [0,1,0,0,0,0|1,1,0]=3 215 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [0,1,0,0,0,0|1,1,0]=3 216 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [0,1,0,0,0,0|2,0,0]=3 217 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [0,1,0,0,0,0|2,0,0]=3 218 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [0,1,0,0,0,0|2,0,0]=3 219 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [0,1,0,0,0,0|2,0,0]=3 220 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [0,1,0,0,0,0|2,0,0]=3 221 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [0,1,0,0,0,0|2,0,0]=3 222 B12R0.206 CCOCC(=O)NCCNCCO WXVL_AK0954SB0091 [0,1,0,0,0,0|3,0,0]=4 223 B12R0.206 CCOCC(=O)NCCNCCO WXVL_AK0954SB0091 [0,1,0,0,0,0|3,0,0]=4 224 B12R0.206 CCOCCCNC(=O)CCOC WXVL_AK0072SB0156 [0,1,0,0,0,0|3,0,0]=4 225 B12R0.206 CCOCCCNC(=O)CCOC WXVL_AK0072SB0156 [0,1,0,0,0,0|3,0,0]=4 226 B12R0.206 CCOCCCNC(=O)CCSC WXVL_AK0072SB0361 [0,1,0,0,0,0|3,0,0]=4 227 B12R0.206 CCOCCCNC(=O)CCSC WXVL_AK0072SB0361 [0,1,0,0,0,0|3,0,0]=4 228 B12R0.206 CCOCCCNC(=O)COCC WXVL_AK0072SB0091 [0,1,0,0,0,0|2,0,0]=3 229 B12R0.206 CCOCCCNC(=O)COCC WXVL_AK0072SB0091 [0,1,0,0,0,0|2,0,0]=3 230 B12R0.206 CCOCCCNC(=O)CSCC WXVL_AK0072SB0002 [0,1,0,0,0,0|2,1,0]=4 231 B12R0.206 CCOCCCNC(=O)CSCC WXVL_AK0072SB0002 [0,1,0,0,0,0|2,1,0]=4 232 B12R0.206 CCOCCCNC(=O)NCCCl WXVL_AK0072YV0092 [0,1,0,0,0,0|3,0,0]=4 233 B12R0.206 CCOCCCNC(=O)NCCCl WXVL_AK0072YV0092 [0,1,0,0,0,0|3,0,0]=4 234 B12R0.206 CCSCC(=O)NCCCCCO WXVL_AK0077SB0002 [0,1,0,0,0,0|2,1,0]=4 235 B12R0.206 CCSCC(=O)NCCCCCO WXVL_AK0077SB0002 [0,1,0,0,0,0|2,1,0]=4 236 B12R0.206 COCCC(=O)NCCCCCO WXVL_AK0077SB0156 [0,1,0,0,0,0|3,0,0]=4 237 B12R0.206 COCCC(=O)NCCCCCO WXVL_AK0077SB0156 [0,1,0,0,0,0|3,0,0]=4 238 B12R0.206 CSCCC(=O)NCCCCCO WXVL_AK0077SB0361 [0,1,0,0,0,0|3,0,0]=4 239 B12R0.206 CSCCC(=O)NCCCCCO WXVL_AK0077SB0361 [0,1,0,0,0,0|3,0,0]=4 240 B12R0.206 N#CCNC(=O)CCCCCCBr WXVL_AK0683SB1386 [0,1,0,0,0,0|2,0,1]=4 241 B12R0.206 N#CCNC(=O)CCCCCCBr WXVL_AK0683SB1386 [0,1,0,0,0,0|2,0,1]=4 242 B12R0.206 O=C(CCCCCCBr)NCCF WXVL_AK00466SB1386 [0,1,0,0,0,0|2,0,0]=3 243 B12R0.206 O=C(CCCCCCBr)NCCF WXVL_AK00466SB1386 [0,1,0,0,0,0|2,0,0]=3 244 B12R0.206 O=C(NCCCl)NCCCCCO WXVL_AK0077YV0092 [0,1,0,0,0,0|3,0,0]=4 245 B12R0.206 O=C(NCCCl)NCCCCCO WXVL_AK0077YV0092 [0,1,0,0,0,0|3,0,0]=4 246 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,1,0,0,0,0|1,0,1]=3 247 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,1,0,0,0,0|1,0,1]=3 248 B12R0.239 CCOC(=O)CC(=O)NCCCO WXVL_AK0073SB3094 [0,1,0,0,0,0|2,0,1]=4 249 B12R0.239 CCOC(=O)CC(=O)NCCCO WXVL_AK0073SB3094 [0,1,0,0,0,0|2,0,1]=4 250 B12R0.239 CCOC(=O)CC(=O)NCCSC WXVL_AK00440SB3094 [0,1,0,0,0,0|2,0,1]=4 251 B12R0.239 CCOC(=O)CC(=O)NCCSC WXVL_AK00440SB3094 [0,1,0,0,0,0|2,0,1]=4 252 B12R0.276 CCNC(=O)CCCCC(=O)OC WXVL_AK00476SB1209 [0,1,0,0,0,0|2,0,1]=4 253 B12R0.276 CCNC(=O)CCCCC(=O)OC WXVL_AK00476SB1209 [0,1,0,0,0,0|2,0,1]=4 254 B12R0.277 CCCC(=O)NCCCCN(C)C WXVL_AK0097SB0073 [0,1,0,0,0,0|3,0,0]=4 255 B12R0.277 CCCC(=O)NCCCCN(C)C WXVL_AK0097SB0073 [0,1,0,0,0,0|3,0,0]=4 256 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,1,0,0,0,0|1,0,1]=3 257 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,1,0,0,0,0|1,0,1]=3 258 B12R0.285 CCOC(=O)CCNC(=O)COC WXVL_AK0465SB0090 [0,1,0,0,0,0|2,0,1]=4 259 B12R0.285 CCOC(=O)CCNC(=O)COC WXVL_AK0465SB0090 [0,1,0,0,0,0|2,0,1]=4 260 B12R0.285 CCOC(=O)CCNC(=O)CSC WXVL_AK0465SB1267 [0,1,0,0,0,0|2,0,1]=4 261 B12R0.285 CCOC(=O)CCNC(=O)CSC WXVL_AK0465SB1267 [0,1,0,0,0,0|2,0,1]=4 262 B12R0.434 CCCCCCNS(=O)(=O)CCC WXVL_AK0286HU0030 [0,1,0,0,0,0|3,0,0]=4 263 B12R0.434 CCCCCCNS(=O)(=O)CCC WXVL_AK0286HU0030 [0,1,0,0,0,0|3,0,0]=4 264 B12R1.32 C/C=C/C(=O)NC1CCCCC1 WXVL_AK00480SB0340 [0,0,0,1,0,0|2,0,1]=4 265 B12R1.32 C/C=C/C(=O)NC1CCCCC1 WXVL_AK00480SB0340 [0,0,0,1,0,0|2,0,1]=4 266 B12R1.32 CC#CC(=O)NC1CCCCC1 WXVL_AK00480SB1240 [0,0,0,1,0,0|2,0,1]=4 267 B12R1.32 CC#CC(=O)NC1CCCCC1 WXVL_AK00480SB1240 [0,0,0,1,0,0|2,0,1]=4 268 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [0,0,0,1,0,0|2,0,0]=3 269 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [0,0,0,1,0,0|2,0,0]=3 270 B12R1.32 CCCC(=O)NC1CCCOC1 WXVL_AK1073SB0073 [0,0,0,1,0,0|3,0,0]=4 271 B12R1.32 CCCC(=O)NC1CCCOC1 WXVL_AK1073SB0073 [0,0,0,1,0,0|3,0,0]=4 272 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [0,0,0,1,0,0|2,0,0]=3 273 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [0,0,0,1,0,0|2,0,0]=3 274 B12R1.32 CCNC(=O)CC1CCOCC1 WXVL_AK00476SB0194 [0,0,0,1,0,0|2,0,0]=3 275 B12R1.32 CCNC(=O)CC1CCOCC1 WXVL_AK00476SB0194 [0,0,0,1,0,0|2,0,0]=3 276 B12R1.32 CCNC(=O)CC1COCCO1 WXVL_AK00476SB2988 [0,0,0,1,0,0|3,0,0]=4 277 B12R1.32 CCNC(=O)CC1COCCO1 WXVL_AK00476SB2988 [0,0,0,1,0,0|3,0,0]=4 278 B12R1.32 CCNC(=O)CN1CCCCC1 WXVL_AK00476SB0186 [0,0,0,1,0,0|2,0,0]=3 279 B12R1.32 CCNC(=O)CN1CCCCC1 WXVL_AK00476SB0186 [0,0,0,1,0,0|2,0,0]=3 280 B12R1.32 CCNC(=O)CN1CCOCC1 WXVL_AK00476SB0188 [0,0,0,1,0,0|3,0,0]=4 281 B12R1.32 CCNC(=O)CN1CCOCC1 WXVL_AK00476SB0188 [0,0,0,1,0,0|3,0,0]=4 282 B12R1.32 COCC(=O)NC1CCCCC1 WXVL_AK00480SB0090 [0,0,0,1,0,0|3,0,0]=4 283 B12R1.32 COCC(=O)NC1CCCCC1 WXVL_AK00480SB0090 [0,0,0,1,0,0|3,0,0]=4 284 B12R1.32 CSCC(=O)NC1CCCCC1 WXVL_AK00480SB1267 [0,0,0,1,0,0|3,0,0]=4 285 B12R1.32 CSCC(=O)NC1CCCCC1 WXVL_AK00480SB1267 [0,0,0,1,0,0|3,0,0]=4 286 B12R1.51 C/C=C/C(=O)NCC1CCCC1 WXVL_AK0303SB0340 [0,0,0,1,0,0|2,0,1]=4 287 B12R1.51 C/C=C/C(=O)NCC1CCCC1 WXVL_AK0303SB0340 [0,0,0,1,0,0|2,0,1]=4 288 B12R1.51 CC#CC(=O)NCC1CCCC1 WXVL_AK0303SB1240 [0,0,0,1,0,0|2,0,1]=4 289 B12R1.51 CC#CC(=O)NCC1CCCC1 WXVL_AK0303SB1240 [0,0,0,1,0,0|2,0,1]=4 290 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [0,0,0,1,0,0|2,0,0]=3 291 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [0,0,0,1,0,0|2,0,0]=3 292 B12R1.51 CCCC(=O)NCC1CCOC1 WXVL_AK00634SB0073 [0,0,0,1,0,0|3,0,0]=4 293 B12R1.51 CCCC(=O)NCC1CCOC1 WXVL_AK00634SB0073 [0,0,0,1,0,0|3,0,0]=4 294 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0073 [0,0,0,1,0,0|3,0,0]=4 295 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0073 [0,0,0,1,0,0|3,0,0]=4 296 B12R1.51 CCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0073 [0,0,0,1,0,0|3,0,0]=4 297 B12R1.51 CCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0073 [0,0,0,1,0,0|3,0,0]=4 298 B12R1.51 CCNC(=O)/C=C/C1CCCC1 WXVL_AK00476SB5314 [0,0,0,1,0,0|1,0,2]=4 299 B12R1.51 CCNC(=O)/C=C/C1CCCC1 WXVL_AK00476SB5314 [0,0,0,1,0,0|1,0,2]=4 300 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [0,0,0,1,0,0|1,0,0]=2 301 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [0,0,0,1,0,0|1,0,0]=2 302 B12R1.51 CCNC(=O)CCN1CCCC1 WXVL_AK00476SB0766 [0,0,0,1,0,0|2,0,0]=3 303 B12R1.51 CCNC(=O)CCN1CCCC1 WXVL_AK00476SB0766 [0,0,0,1,0,0|2,0,0]=3 304 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [0,0,0,1,0,0|2,0,0]=3 305 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [0,0,0,1,0,0|2,0,0]=3 306 B12R1.51 COCC(=O)NCC1CCCC1 WXVL_AK0303SB0090 [0,0,0,1,0,0|3,0,0]=4 307 B12R1.51 COCC(=O)NCC1CCCC1 WXVL_AK0303SB0090 [0,0,0,1,0,0|3,0,0]=4 308 B12R1.51 CSCC(=O)NCC1CCCC1 WXVL_AK0303SB1267 [0,0,0,1,0,0|3,0,0]=4 309 B12R1.51 CSCC(=O)NCC1CCCC1 WXVL_AK0303SB1267 [0,0,0,1,0,0|3,0,0]=4 310 B12R1.308 C/C=C/C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0340 [0,0,0,1,0,0|2,0,1]=4 311 B12R1.308 CC#CC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB1240 [0,0,0,1,0,0|2,0,1]=4 312 B12R1.308 CCCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0073 [0,0,0,1,0,0|2,0,0]=3 313 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0073 [0,0,0,1,0,0|3,0,0]=4 314 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0073 [0,0,0,1,0,0|3,0,0]=4 315 B12R1.308 CCCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0073 [0,0,0,1,0,0|3,0,0]=4 316 B12R1.308 CCNC(=O)[C@H]1CCCCN1C WXVL_AK00476SB4055 [0,0,0,1,0,0|2,0,0]=3 317 B12R1.308 CCNC(=O)[C@H]1CCCCN1C WXVL_AK00476SB4055 [0,0,0,1,0,0|2,0,0]=3 318 B12R1.308 COCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0090 [0,0,0,1,0,0|3,0,0]=4 319 B12R1.308 CSCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB1267 [0,0,0,1,0,0|3,0,0]=4 320 B12R1.315 C/C=C/C(=O)NCCC1CCC1 WXVL_AK2418SB0340 [0,0,0,1,0,0|2,0,1]=4 321 B12R1.315 C/C=C/C(=O)NCCC1CCC1 WXVL_AK2418SB0340 [0,0,0,1,0,0|2,0,1]=4 322 B12R1.315 CC#CC(=O)NCCC1CCC1 WXVL_AK2418SB1240 [0,0,0,1,0,0|2,0,1]=4 323 B12R1.315 CC#CC(=O)NCCC1CCC1 WXVL_AK2418SB1240 [0,0,0,1,0,0|2,0,1]=4 324 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [0,0,0,1,0,0|2,0,0]=3 325 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [0,0,0,1,0,0|2,0,0]=3 326 B12R1.315 COCC(=O)NCCC1CCC1 WXVL_AK2418SB0090 [0,0,0,1,0,0|3,0,0]=4 327 B12R1.315 COCC(=O)NCCC1CCC1 WXVL_AK2418SB0090 [0,0,0,1,0,0|3,0,0]=4 328 B12R1.315 CSCC(=O)NCCC1CCC1 WXVL_AK2418SB1267 [0,0,0,1,0,0|3,0,0]=4 329 B12R1.315 CSCC(=O)NCCC1CCC1 WXVL_AK2418SB1267 [0,0,0,1,0,0|3,0,0]=4 330 B12R1.316 CCCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0073 [0,0,0,1,0,0|3,0,0]=4 331 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [0,0,0,1,0,0|2,0,0]=3 332 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [0,0,0,1,0,0|2,0,0]=3 333 B12R1.923 CCOCCCNC(=O)C1CC1 WXVL_AK0072SB0038 [0,0,0,1,0,0|3,0,0]=4 334 B12R1.923 CCOCCCNC(=O)C1CC1 WXVL_AK0072SB0038 [0,0,0,1,0,0|3,0,0]=4 335 B12R1.923 O=C(NCCCCCO)C1CC1 WXVL_AK0077SB0038 [0,0,0,1,0,0|3,0,0]=4 336 B12R1.923 O=C(NCCCCCO)C1CC1 WXVL_AK0077SB0038 [0,0,0,1,0,0|3,0,0]=4 337 B12R1.1564 CCCC(=O)N1CCCOCC1 WXVL_AN00350SB0073 [0,0,0,1,0,0|3,0,0]=4 338 B12R1.1564 CCCC(=O)N1CCCOCC1 WXVL_AN00350SB0073 [0,0,0,1,0,0|3,0,0]=4 339 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [0,0,0,1,0,0|1,0,0]=2 340 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [0,0,0,1,0,0|1,0,0]=2 341 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [2,0,0,0,0,0|2,0,0]=4 342 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [2,0,0,0,0,0|2,0,0]=4 343 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [2,0,0,0,0,0|2,0,0]=4 344 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [2,0,0,0,0,0|2,0,0]=4 345 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [2,0,0,0,0,0|2,0,0]=4 346 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [2,0,0,0,0,0|2,0,0]=4 347 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [2,0,0,0,0,0|2,0,0]=4 348 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [2,0,0,0,0,0|2,0,0]=4 349 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [2,0,0,0,0,0|2,0,0]=4 350 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [2,0,0,0,0,0|2,0,0]=4 351 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [2,0,0,0,0,0|2,0,0]=4 352 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [2,0,0,0,0,0|2,0,0]=4 353 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [2,0,0,0,0,0|1,0,0]=3 354 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [2,0,0,0,0,0|1,0,0]=3 355 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [2,0,0,0,0,0|2,0,0]=4 356 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [2,0,0,0,0,0|2,0,0]=4 357 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [2,0,0,0,0,0|2,0,0]=4 358 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [2,0,0,0,0,0|2,0,0]=4 359 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [2,0,0,0,0,0|2,0,0]=4 360 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [2,0,0,0,0,0|2,0,0]=4 361 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [2,0,0,0,0,0|2,0,0]=4 362 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [2,0,0,0,0,0|2,0,0]=4 363 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [2,0,0,0,0,0|2,0,0]=4 364 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [2,0,0,0,0,0|2,0,0]=4 365 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [2,0,0,0,0,0|1,0,0]=3 366 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [2,0,0,0,0,0|1,0,0]=3 367 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [2,0,0,0,0,0|1,0,0]=3 368 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [2,0,0,0,0,0|1,0,0]=3 369 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [2,0,0,0,0,0|2,0,0]=4 370 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [2,0,0,0,0,0|2,0,0]=4 371 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [2,0,0,0,0,0|2,0,0]=4 372 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [2,0,0,0,0,0|2,0,0]=4 373 B11R0.2 CC(C)NC(=O)CCCCCBr WXVL_AK0030SB2192 [1,1,0,0,0,0|2,0,0]=4 374 B11R0.2 CC(C)NC(=O)CCCCCBr WXVL_AK0030SB2192 [1,1,0,0,0,0|2,0,0]=4 375 B11R0.2 CC(C)NC(=O)CCCCCO WXVL_AK0030SB2973 [1,1,0,0,0,0|2,0,0]=4 376 B11R0.2 CC(C)NC(=O)CCCCCO WXVL_AK0030SB2973 [1,1,0,0,0,0|2,0,0]=4 377 B11R0.2 CCCCCNC(=O)CC(C)C WXVL_AK0076SB0063 [1,1,0,0,0,0|2,0,0]=4 378 B11R0.2 CCCCCNC(=O)CC(C)C WXVL_AK0076SB0063 [1,1,0,0,0,0|2,0,0]=4 379 B11R0.2 CCCCCNC(=O)CC(C)O WXVL_AK0076SB3643 [1,1,0,0,0,0|2,0,0]=4 380 B11R0.2 CCCCCNC(=O)CC(C)O WXVL_AK0076SB3643 [1,1,0,0,0,0|2,0,0]=4 381 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [1,1,0,0,0,0|1,0,1]=4 382 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [1,1,0,0,0,0|1,0,1]=4 383 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [1,1,0,0,0,0|2,0,0]=4 384 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [1,1,0,0,0,0|2,0,0]=4 385 B11R0.81 CCCCCNC(=O)CCSC WXVL_AK0076SB0361 [1,1,0,0,0,0|2,0,0]=4 386 B11R0.81 CCCCCNC(=O)CCSC WXVL_AK0076SB0361 [1,1,0,0,0,0|2,0,0]=4 387 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [1,1,0,0,0,0|1,0,0]=3 388 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [1,1,0,0,0,0|1,0,0]=3 389 B11R0.81 CCCCCNC(=O)CSCC WXVL_AK0076SB0002 [1,1,0,0,0,0|1,1,0]=4 390 B11R0.81 CCCCCNC(=O)CSCC WXVL_AK0076SB0002 [1,1,0,0,0,0|1,1,0]=4 391 B11R0.81 CCCCCNC(=O)NCCCl WXVL_AK0076YV0092 [1,1,0,0,0,0|2,0,0]=4 392 B11R0.81 CCCCCNC(=O)NCCCl WXVL_AK0076YV0092 [1,1,0,0,0,0|2,0,0]=4 393 B11R0.81 CCCNC(=O)CCCCCBr WXVL_AK00504SB2192 [1,1,0,0,0,0|2,0,0]=4 394 B11R0.81 CCCNC(=O)CCCCCBr WXVL_AK00504SB2192 [1,1,0,0,0,0|2,0,0]=4 395 B11R0.81 CCCNC(=O)CCCCCO WXVL_AK00504SB2973 [1,1,0,0,0,0|2,0,0]=4 396 B11R0.81 CCCNC(=O)CCCCCO WXVL_AK00504SB2973 [1,1,0,0,0,0|2,0,0]=4 397 B11R0.81 CCOCC(=O)NCCCCO WXVL_AK0075SB0091 [1,1,0,0,0,0|2,0,0]=4 398 B11R0.81 CCOCC(=O)NCCCCO WXVL_AK0075SB0091 [1,1,0,0,0,0|2,0,0]=4 399 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [1,1,0,0,0,0|2,0,0]=4 400 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [1,1,0,0,0,0|2,0,0]=4 401 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [1,1,0,0,0,0|2,0,0]=4 402 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [1,1,0,0,0,0|2,0,0]=4 403 B11R0.81 CCOCC(=O)NCCSCC WXVL_AK00494SB0091 [1,1,0,0,0,0|2,0,0]=4 404 B11R0.81 CCOCC(=O)NCCSCC WXVL_AK00494SB0091 [1,1,0,0,0,0|2,0,0]=4 405 B11R0.81 O=C(CCCCCBr)NCCF WXVL_AK00466SB2192 [1,1,0,0,0,0|2,0,0]=4 406 B11R0.81 O=C(CCCCCBr)NCCF WXVL_AK00466SB2192 [1,1,0,0,0,0|2,0,0]=4 407 B11R0.81 O=C(CCCCCO)NCCF WXVL_AK00466SB2973 [1,1,0,0,0,0|2,0,0]=4 408 B11R0.81 O=C(CCCCCO)NCCF WXVL_AK00466SB2973 [1,1,0,0,0,0|2,0,0]=4 409 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [1,1,0,0,0,0|2,0,0]=4 410 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [1,1,0,0,0,0|2,0,0]=4 411 B11R0.142 CCCCCNC(=O)C(C)CC WXVL_AK0076SB0054 [1,1,0,0,0,0|2,0,0]=4 412 B11R0.142 CCCCCNC(=O)C(C)CC WXVL_AK0076SB0054 [1,1,0,0,0,0|2,0,0]=4 413 B11R0.142 CCCCCNC(=O)[C@@H](O)CC WXVL_AK0076SB3573 [1,1,0,0,0,0|2,0,0]=4 414 B11R0.142 CCCCCNC(=O)[C@@H](O)CC WXVL_AK0076SB3573 [1,1,0,0,0,0|2,0,0]=4 415 B11R0.142 CCCCCNC(=O)[C@H](C)CC WXVL_AK0076SB00054 [1,1,0,0,0,0|2,0,0]=4 416 B11R0.142 CCCCCNC(=O)[C@H](C)CC WXVL_AK0076SB00054 [1,1,0,0,0,0|2,0,0]=4 417 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [1,1,0,0,0,0|1,0,0]=3 418 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [1,1,0,0,0,0|1,0,0]=3 419 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [1,1,0,0,0,0|1,0,1]=4 420 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [1,1,0,0,0,0|1,0,1]=4 421 B11R0.174 CCOC(=O)CCNC(=O)CC WXVL_AK0465SB0064 [1,1,0,0,0,0|1,0,1]=4 422 B11R0.174 CCOC(=O)CCNC(=O)CC WXVL_AK0465SB0064 [1,1,0,0,0,0|1,0,1]=4 423 B11R0.42 CC(C)C(=O)NCCCCCO WXVL_AK0077SB0052 [1,1,0,0,0,0|2,0,0]=4 424 B11R0.42 CC(C)C(=O)NCCCCCO WXVL_AK0077SB0052 [1,1,0,0,0,0|2,0,0]=4 425 B11R0.42 CC(S)C(=O)NCCCCCO WXVL_AK0077SB2708 [1,1,0,0,0,0|2,0,0]=4 426 B11R0.42 CC(S)C(=O)NCCCCCO WXVL_AK0077SB2708 [1,1,0,0,0,0|2,0,0]=4 427 B11R0.42 CCCCCCCC(=O)N(C)C WXVL_AN0032SB0393 [1,1,0,0,0,0|1,0,0]=3 428 B11R0.42 CCCCCCCC(=O)N(C)C WXVL_AN0032SB0393 [1,1,0,0,0,0|1,0,0]=3 429 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [1,1,0,0,0,0|1,0,1]=4 430 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [1,1,0,0,0,0|1,0,1]=4 431 B11R0.42 CCCCCCNC(=O)C(C)C WXVL_AK0286SB0052 [1,1,0,0,0,0|1,0,0]=3 432 B11R0.42 CCCCCCNC(=O)C(C)C WXVL_AK0286SB0052 [1,1,0,0,0,0|1,0,0]=3 433 B11R0.42 CCCCCCNC(=O)C(C)S WXVL_AK0286SB2708 [1,1,0,0,0,0|1,0,0]=3 434 B11R0.42 CCCCCCNC(=O)C(C)S WXVL_AK0286SB2708 [1,1,0,0,0,0|1,0,0]=3 435 B11R0.42 CCCCCCNC(=O)C(F)F WXVL_AK0286SB0079 [1,1,0,0,0,0|2,0,0]=4 436 B11R0.42 CCCCCCNC(=O)C(F)F WXVL_AK0286SB0079 [1,1,0,0,0,0|2,0,0]=4 437 B11R0.42 CCCCCCNC(=O)[C@@H](C)O WXVL_AK0286SB1085 [1,1,0,0,0,0|1,0,0]=3 438 B11R0.42 CCCCCCNC(=O)[C@@H](C)O WXVL_AK0286SB1085 [1,1,0,0,0,0|1,0,0]=3 439 B11R0.42 CCOCCCNC(=O)C(C)C WXVL_AK0072SB0052 [1,1,0,0,0,0|2,0,0]=4 440 B11R0.42 CCOCCCNC(=O)C(C)C WXVL_AK0072SB0052 [1,1,0,0,0,0|2,0,0]=4 441 B11R0.42 CCOCCCNC(=O)C(C)S WXVL_AK0072SB2708 [1,1,0,0,0,0|2,0,0]=4 442 B11R0.42 CCOCCCNC(=O)C(C)S WXVL_AK0072SB2708 [1,1,0,0,0,0|2,0,0]=4 443 B11R0.42 CCOCCCNC(=O)[C@@H](C)O WXVL_AK0072SB1085 [1,1,0,0,0,0|2,0,0]=4 444 B11R0.42 CCOCCCNC(=O)[C@@H](C)O WXVL_AK0072SB1085 [1,1,0,0,0,0|2,0,0]=4 445 B11R0.42 CN(C)C(=O)CCCCCCBr WXVL_AN0032SB1386 [1,1,0,0,0,0|2,0,0]=4 446 B11R0.42 CN(C)C(=O)CCCCCCBr WXVL_AN0032SB1386 [1,1,0,0,0,0|2,0,0]=4 447 B11R0.42 C[C@@H](O)C(=O)NCCCCCO WXVL_AK0077SB1085 [1,1,0,0,0,0|2,0,0]=4 448 B11R0.42 C[C@@H](O)C(=O)NCCCCCO WXVL_AK0077SB1085 [1,1,0,0,0,0|2,0,0]=4 449 B11R0.49 CCCCCCNS(=O)(=O)CC WXVL_AK0286HU0028 [1,1,0,0,0,0|2,0,0]=4 450 B11R0.49 CCCCCCNS(=O)(=O)CC WXVL_AK0286HU0028 [1,1,0,0,0,0|2,0,0]=4 451 B11R0.70 CCCCC(C)CCC(=O)NC WXVL_AK00442SB1315 [1,1,0,0,0,0|1,0,0]=3 452 B11R0.70 CCCCC(C)CCC(=O)NC WXVL_AK00442SB1315 [1,1,0,0,0,0|1,0,0]=3 453 B11R0.70 CCCNC(=O)CCC(=O)OC WXVL_AK00504SB0069 [1,1,0,0,0,0|1,0,1]=4 454 B11R0.70 CCCNC(=O)CCC(=O)OC WXVL_AK00504SB0069 [1,1,0,0,0,0|1,0,1]=4 455 B11R0.106 CCC(=O)NCCCC(=O)OC WXVL_AK00444SB0064 [1,1,0,0,0,0|1,0,1]=4 456 B11R0.106 CCC(=O)NCCCC(=O)OC WXVL_AK00444SB0064 [1,1,0,0,0,0|1,0,1]=4 457 B11R0.106 CNC(=O)CCCCC(=O)OC WXVL_AK00442SB1209 [1,1,0,0,0,0|1,0,1]=4 458 B11R0.106 CNC(=O)CCCCC(=O)OC WXVL_AK00442SB1209 [1,1,0,0,0,0|1,0,1]=4 459 B11R0.111 CCC(=O)NCCCCN(C)C WXVL_AK0097SB0064 [1,1,0,0,0,0|2,0,0]=4 460 B11R0.111 CCC(=O)NCCCCN(C)C WXVL_AK0097SB0064 [1,1,0,0,0,0|2,0,0]=4 461 B11R0.154 CCCCNC(=O)CC(=O)OC WXVL_AK00588SB2790 [1,1,0,0,0,0|1,0,1]=4 462 B11R0.154 CCCCNC(=O)CC(=O)OC WXVL_AK00588SB2790 [1,1,0,0,0,0|1,0,1]=4 463 B13R0.2 C/C=C/C(=O)NCCCCCCCC WXVL_AK1818SB0340 [0,2,0,0,0,0|1,0,1]=4 464 B13R0.2 C/C=C/C(=O)NCCCCCCCC WXVL_AK1818SB0340 [0,2,0,0,0,0|1,0,1]=4 465 B13R0.2 C/C=C/C(=O)NCCCOCCCC WXVL_AK2310SB0340 [0,2,0,0,0,0|1,0,1]=4 466 B13R0.2 C/C=C/C(=O)NCCCOCCCC WXVL_AK2310SB0340 [0,2,0,0,0,0|1,0,1]=4 467 B13R0.2 CC#CC(=O)NCCCCCCCC WXVL_AK1818SB1240 [0,2,0,0,0,0|1,0,1]=4 468 B13R0.2 CC#CC(=O)NCCCCCCCC WXVL_AK1818SB1240 [0,2,0,0,0,0|1,0,1]=4 469 B13R0.2 CC#CC(=O)NCCCOCCCC WXVL_AK2310SB1240 [0,2,0,0,0,0|1,0,1]=4 470 B13R0.2 CC#CC(=O)NCCCOCCCC WXVL_AK2310SB1240 [0,2,0,0,0,0|1,0,1]=4 471 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,2,0,0,0,0|1,0,0]=3 472 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,2,0,0,0,0|1,0,0]=3 473 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,2,0,0,0,0|1,0,0]=3 474 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,2,0,0,0,0|1,0,0]=3 475 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [0,2,0,0,0,0|2,0,0]=4 476 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [0,2,0,0,0,0|2,0,0]=4 477 B13R0.2 CCCCCCCCNC(=O)CSC WXVL_AK1818SB1267 [0,2,0,0,0,0|2,0,0]=4 478 B13R0.2 CCCCCCCCNC(=O)CSC WXVL_AK1818SB1267 [0,2,0,0,0,0|2,0,0]=4 479 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [0,2,0,0,0,0|1,0,0]=3 480 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [0,2,0,0,0,0|1,0,0]=3 481 B13R0.2 CCCCOCCCNC(=O)CCC WXVL_AK2310SB0073 [0,2,0,0,0,0|1,0,0]=3 482 B13R0.2 CCCCOCCCNC(=O)CCC WXVL_AK2310SB0073 [0,2,0,0,0,0|1,0,0]=3 483 B13R0.2 CCCCOCCCNC(=O)COC WXVL_AK2310SB0090 [0,2,0,0,0,0|2,0,0]=4 484 B13R0.2 CCCCOCCCNC(=O)COC WXVL_AK2310SB0090 [0,2,0,0,0,0|2,0,0]=4 485 B13R0.2 CCCCOCCCNC(=O)CSC WXVL_AK2310SB1267 [0,2,0,0,0,0|2,0,0]=4 486 B13R0.2 CCCCOCCCNC(=O)CSC WXVL_AK2310SB1267 [0,2,0,0,0,0|2,0,0]=4 487 B13R0.66 C=CCNC(=O)CCCCCCCBr WXVL_AK00561SB0559 [0,2,0,0,0,0|1,0,1]=4 488 B13R0.66 C=CCNC(=O)CCCCCCCBr WXVL_AK00561SB0559 [0,2,0,0,0,0|1,0,1]=4 489 B13R0.66 C=CCNC(=O)CCCCCCCC WXVL_AK00561SB0409 [0,2,0,0,0,0|1,0,1]=4 490 B13R0.66 C=CCNC(=O)CCCCCCCC WXVL_AK00561SB0409 [0,2,0,0,0,0|1,0,1]=4 491 B13R0.66 C=CCNC(=O)CCCCCCCO WXVL_AK00561SB1306 [0,2,0,0,0,0|1,0,1]=4 492 B13R0.66 C=CCNC(=O)CCCCCCCO WXVL_AK00561SB1306 [0,2,0,0,0,0|1,0,1]=4 493 B13R0.66 CCCCCCCCC(=O)NCC#N WXVL_AK0683SB0409 [0,2,0,0,0,0|1,0,1]=4 494 B13R0.66 CCCCCCCCC(=O)NCC#N WXVL_AK0683SB0409 [0,2,0,0,0,0|1,0,1]=4 495 B13R0.66 CCCCCCCCC(=O)NCCC WXVL_AK00504SB0409 [0,2,0,0,0,0|1,0,0]=3 496 B13R0.66 CCCCCCCCC(=O)NCCC WXVL_AK00504SB0409 [0,2,0,0,0,0|1,0,0]=3 497 B13R0.66 CCCCCCCCC(=O)NCCF WXVL_AK00466SB0409 [0,2,0,0,0,0|1,0,0]=3 498 B13R0.66 CCCCCCCCC(=O)NCCF WXVL_AK00466SB0409 [0,2,0,0,0,0|1,0,0]=3 499 B13R0.66 CCCCOCCNC(=O)CCOC WXVL_AK9674SB0156 [0,2,0,0,0,0|2,0,0]=4 500 B13R0.66 CCCCOCCNC(=O)CCOC WXVL_AK9674SB0156 [0,2,0,0,0,0|2,0,0]=4 501 B13R0.66 CCCCOCCNC(=O)CCSC WXVL_AK9674SB0361 [0,2,0,0,0,0|2,0,0]=4 502 B13R0.66 CCCCOCCNC(=O)CCSC WXVL_AK9674SB0361 [0,2,0,0,0,0|2,0,0]=4 503 B13R0.66 CCCCOCCNC(=O)COCC WXVL_AK9674SB0091 [0,2,0,0,0,0|1,0,0]=3 504 B13R0.66 CCCCOCCNC(=O)COCC WXVL_AK9674SB0091 [0,2,0,0,0,0|1,0,0]=3 505 B13R0.66 CCCCOCCNC(=O)CSCC WXVL_AK9674SB0002 [0,2,0,0,0,0|1,1,0]=4 506 B13R0.66 CCCCOCCNC(=O)CSCC WXVL_AK9674SB0002 [0,2,0,0,0,0|1,1,0]=4 507 B13R0.66 CCCCOCCNC(=O)NCCCl WXVL_AK9674YV0092 [0,2,0,0,0,0|2,0,0]=4 508 B13R0.66 CCCCOCCNC(=O)NCCCl WXVL_AK9674YV0092 [0,2,0,0,0,0|2,0,0]=4 509 B13R0.66 CCCNC(=O)CCCCCCCBr WXVL_AK00504SB0559 [0,2,0,0,0,0|1,0,0]=3 510 B13R0.66 CCCNC(=O)CCCCCCCBr WXVL_AK00504SB0559 [0,2,0,0,0,0|1,0,0]=3 511 B13R0.66 CCCNC(=O)CCCCCCCO WXVL_AK00504SB1306 [0,2,0,0,0,0|1,0,0]=3 512 B13R0.66 CCCNC(=O)CCCCCCCO WXVL_AK00504SB1306 [0,2,0,0,0,0|1,0,0]=3 513 B13R0.66 CCOCC(=O)NCCCCCCO WXVL_AK0751SB0091 [0,2,0,0,0,0|1,0,0]=3 514 B13R0.66 CCOCC(=O)NCCCCCCO WXVL_AK0751SB0091 [0,2,0,0,0,0|1,0,0]=3 515 B13R0.66 CCOCC(=O)NCCOCCOC WXVL_AK2206SB0091 [0,2,0,0,0,0|2,0,0]=4 516 B13R0.66 CCOCC(=O)NCCOCCOC WXVL_AK2206SB0091 [0,2,0,0,0,0|2,0,0]=4 517 B13R0.66 CCSCC(=O)NCCCCCCO WXVL_AK0751SB0002 [0,2,0,0,0,0|1,1,0]=4 518 B13R0.66 CCSCC(=O)NCCCCCCO WXVL_AK0751SB0002 [0,2,0,0,0,0|1,1,0]=4 519 B13R0.66 COCCC(=O)NCCCCCCO WXVL_AK0751SB0156 [0,2,0,0,0,0|2,0,0]=4 520 B13R0.66 COCCC(=O)NCCCCCCO WXVL_AK0751SB0156 [0,2,0,0,0,0|2,0,0]=4 521 B13R0.66 CSCCC(=O)NCCCCCCO WXVL_AK0751SB0361 [0,2,0,0,0,0|2,0,0]=4 522 B13R0.66 CSCCC(=O)NCCCCCCO WXVL_AK0751SB0361 [0,2,0,0,0,0|2,0,0]=4 523 B13R0.66 N#CCNC(=O)CCCCCCCBr WXVL_AK0683SB0559 [0,2,0,0,0,0|1,0,1]=4 524 B13R0.66 N#CCNC(=O)CCCCCCCBr WXVL_AK0683SB0559 [0,2,0,0,0,0|1,0,1]=4 525 B13R0.66 N#CCNC(=O)CCCCCCCO WXVL_AK0683SB1306 [0,2,0,0,0,0|1,0,1]=4 526 B13R0.66 N#CCNC(=O)CCCCCCCO WXVL_AK0683SB1306 [0,2,0,0,0,0|1,0,1]=4 527 B13R0.66 O=C(CCCCCCCBr)NCCF WXVL_AK00466SB0559 [0,2,0,0,0,0|1,0,0]=3 528 B13R0.66 O=C(CCCCCCCBr)NCCF WXVL_AK00466SB0559 [0,2,0,0,0,0|1,0,0]=3 529 B13R0.66 O=C(CCCCCCCO)NCCF WXVL_AK00466SB1306 [0,2,0,0,0,0|1,0,0]=3 530 B13R0.66 O=C(CCCCCCCO)NCCF WXVL_AK00466SB1306 [0,2,0,0,0,0|1,0,0]=3 531 B13R0.66 O=C(NCCCl)NCCCCCCO WXVL_AK0751YV0092 [0,2,0,0,0,0|2,0,0]=4 532 B13R0.66 O=C(NCCCl)NCCCCCCO WXVL_AK0751YV0092 [0,2,0,0,0,0|2,0,0]=4 533 B13R0.88 CCCC(=O)NCCCCCN(C)C WXVL_AK0956SB0073 [0,2,0,0,0,0|2,0,0]=4 534 B13R0.88 CCCC(=O)NCCCCCN(C)C WXVL_AK0956SB0073 [0,2,0,0,0,0|2,0,0]=4 535 B13R0.175 CCOC(=O)CCNC(=O)CCOC WXVL_AK0465SB0156 [0,2,0,0,0,0|1,0,1]=4 536 B13R0.175 CCOC(=O)CCNC(=O)CCOC WXVL_AK0465SB0156 [0,2,0,0,0,0|1,0,1]=4 537 B13R0.175 CCOC(=O)CCNC(=O)CCSC WXVL_AK0465SB0361 [0,2,0,0,0,0|1,0,1]=4 538 B13R0.175 CCOC(=O)CCNC(=O)CCSC WXVL_AK0465SB0361 [0,2,0,0,0,0|1,0,1]=4 539 B13R0.175 CCOC(=O)CCNC(=O)CSCC WXVL_AK0465SB0002 [0,2,0,0,0,0|1,0,1]=4 540 B13R0.175 CCOC(=O)CCNC(=O)CSCC WXVL_AK0465SB0002 [0,2,0,0,0,0|1,0,1]=4 541 B13R0.175 CCOCC(=O)NCCC(=O)OCC WXVL_AK0465SB0091 [0,2,0,0,0,0|1,0,1]=4 542 B13R0.175 CCOCC(=O)NCCC(=O)OCC WXVL_AK0465SB0091 [0,2,0,0,0,0|1,0,1]=4 543 B13R0.193 CCCCNC(=O)NCC(=O)OCC WXVL_AK00588YV0151 [0,2,0,0,0,0|1,0,1]=4 544 B13R0.193 CCCCNC(=O)NCC(=O)OCC WXVL_AK00588YV0151 [0,2,0,0,0,0|1,0,1]=4 545 B13R0.275 CC/C=C(\C)/C(=O)NCCCCCC WXVL_AK0286SB0037 [0,2,0,0,0,0|2,0,0]=4 546 B13R0.275 CC/C=C(\C)/C(=O)NCCCCCC WXVL_AK0286SB0037 [0,2,0,0,0,0|2,0,0]=4 547 B13R0.275 CCCCCCCC(=O)N(C)CC#N WXVL_AN2942SB0393 [0,2,0,0,0,0|1,0,1]=4 548 B13R0.275 CCCCCCCC(=O)N(C)CC#N WXVL_AN2942SB0393 [0,2,0,0,0,0|1,0,1]=4 549 B13R0.275 CCCCCCCC(=O)N(C)CCO WXVL_AN2670SB0393 [0,2,0,0,0,0|1,0,0]=3 550 B13R0.275 CCCCCCCC(=O)N(C)CCO WXVL_AN2670SB0393 [0,2,0,0,0,0|1,0,0]=3 551 B13R0.275 CCCCCCNC(=O)C(=O)OCC WXVL_AK0286SB4144 [0,2,0,0,0,0|0,0,1]=3 552 B13R0.275 CCCCCCNC(=O)C(=O)OCC WXVL_AK0286SB4144 [0,2,0,0,0,0|0,0,1]=3 553 B13R0.275 CCCCCCNC(=O)C(C)CCC WXVL_AK0286SB0352 [0,2,0,0,0,0|2,0,0]=4 554 B13R0.275 CCCCCCNC(=O)C(C)CCC WXVL_AK0286SB0352 [0,2,0,0,0,0|2,0,0]=4 555 B13R0.275 CCCCCCNC(=O)[C@@H](O)CCC WXVL_AK0286SB3627 [0,2,0,0,0,0|2,0,0]=4 556 B13R0.275 CCCCCCNC(=O)[C@@H](O)CCC WXVL_AK0286SB3627 [0,2,0,0,0,0|2,0,0]=4 557 B13R0.275 CCOC(=O)C(=O)NCCCCCO WXVL_AK0077SB4144 [0,2,0,0,0,0|1,0,1]=4 558 B13R0.275 CCOC(=O)C(=O)NCCCCCO WXVL_AK0077SB4144 [0,2,0,0,0,0|1,0,1]=4 559 B13R0.275 CCOCCCNC(=O)C(=O)OCC WXVL_AK0072SB4144 [0,2,0,0,0,0|1,0,1]=4 560 B13R0.275 CCOCCCNC(=O)C(=O)OCC WXVL_AK0072SB4144 [0,2,0,0,0,0|1,0,1]=4 561 B13R0.275 CN(CCO)C(=O)CCCCCCBr WXVL_AN2670SB1386 [0,2,0,0,0,0|2,0,0]=4 562 B13R0.275 CN(CCO)C(=O)CCCCCCBr WXVL_AN2670SB1386 [0,2,0,0,0,0|2,0,0]=4 563 B13R0.330 CCCCCNC(=O)CC(=O)OCC WXVL_AK0076SB3094 [0,2,0,0,0,0|0,0,1]=3 564 B13R0.330 CCCCCNC(=O)CC(=O)OCC WXVL_AK0076SB3094 [0,2,0,0,0,0|0,0,1]=3 565 B13R0.330 CCOC(=O)CC(=O)NCCCCO WXVL_AK0075SB3094 [0,2,0,0,0,0|1,0,1]=4 566 B13R0.330 CCOC(=O)CC(=O)NCCCCO WXVL_AK0075SB3094 [0,2,0,0,0,0|1,0,1]=4 567 B13R0.330 CCOC(=O)CC(=O)NCCCOC WXVL_AK00637SB3094 [0,2,0,0,0,0|1,0,1]=4 568 B13R0.330 CCOC(=O)CC(=O)NCCCOC WXVL_AK00637SB3094 [0,2,0,0,0,0|1,0,1]=4 569 B13R0.330 CCOC(=O)CC(=O)NCCCSC WXVL_AK0965SB3094 [0,2,0,0,0,0|1,0,1]=4 570 B13R0.330 CCOC(=O)CC(=O)NCCCSC WXVL_AK0965SB3094 [0,2,0,0,0,0|1,0,1]=4 571 B13R0.330 CCOC(=O)CC(=O)NCCSCC WXVL_AK00494SB3094 [0,2,0,0,0,0|1,0,1]=4 572 B13R0.330 CCOC(=O)CC(=O)NCCSCC WXVL_AK00494SB3094 [0,2,0,0,0,0|1,0,1]=4 573 B13R0.335 CC(C)CC(=O)NCCCCCCO WXVL_AK0751SB0063 [0,2,0,0,0,0|2,0,0]=4 574 B13R0.335 CC(C)CC(=O)NCCCCCCO WXVL_AK0751SB0063 [0,2,0,0,0,0|2,0,0]=4 575 B13R0.335 CC(C)NC(=O)CCCCCCCBr WXVL_AK0030SB0559 [0,2,0,0,0,0|1,0,0]=3 576 B13R0.335 CC(C)NC(=O)CCCCCCCBr WXVL_AK0030SB0559 [0,2,0,0,0,0|1,0,0]=3 577 B13R0.335 CC(C)NC(=O)CCCCCCCO WXVL_AK0030SB1306 [0,2,0,0,0,0|1,0,0]=3 578 B13R0.335 CC(C)NC(=O)CCCCCCCO WXVL_AK0030SB1306 [0,2,0,0,0,0|1,0,0]=3 579 B13R0.335 CC(O)CC(=O)NCCCCCCO WXVL_AK0751SB3643 [0,2,0,0,0,0|2,0,0]=4 580 B13R0.335 CC(O)CC(=O)NCCCCCCO WXVL_AK0751SB3643 [0,2,0,0,0,0|2,0,0]=4 581 B13R0.335 CCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0409 [0,2,0,0,0,0|1,0,0]=3 582 B13R0.335 CCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0409 [0,2,0,0,0,0|1,0,0]=3 583 B13R0.335 CCCCOCCNC(=O)CC(C)C WXVL_AK9674SB0063 [0,2,0,0,0,0|2,0,0]=4 584 B13R0.335 CCCCOCCNC(=O)CC(C)C WXVL_AK9674SB0063 [0,2,0,0,0,0|2,0,0]=4 585 B13R0.335 CCCCOCCNC(=O)CC(C)O WXVL_AK9674SB3643 [0,2,0,0,0,0|2,0,0]=4 586 B13R0.335 CCCCOCCNC(=O)CC(C)O WXVL_AK9674SB3643 [0,2,0,0,0,0|2,0,0]=4 587 B13R0.340 CCC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0344 [0,2,0,0,0,0|2,0,0]=4 588 B13R0.340 CCC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0344 [0,2,0,0,0,0|2,0,0]=4 589 B13R0.340 CCC(C)C(=O)NCCCCCCO WXVL_AK0751SB0054 [0,2,0,0,0,0|2,0,0]=4 590 B13R0.340 CCC(C)C(=O)NCCCCCCO WXVL_AK0751SB0054 [0,2,0,0,0,0|2,0,0]=4 591 B13R0.340 CCCCOCCNC(=O)C(=O)CC WXVL_AK9674SB0344 [0,2,0,0,0,0|2,0,0]=4 592 B13R0.340 CCCCOCCNC(=O)C(=O)CC WXVL_AK9674SB0344 [0,2,0,0,0,0|2,0,0]=4 593 B13R0.340 CCCCOCCNC(=O)C(C)CC WXVL_AK9674SB0054 [0,2,0,0,0,0|2,0,0]=4 594 B13R0.340 CCCCOCCNC(=O)C(C)CC WXVL_AK9674SB0054 [0,2,0,0,0,0|2,0,0]=4 595 B13R0.340 CCCCOCCNC(=O)[C@@H](O)CC WXVL_AK9674SB3573 [0,2,0,0,0,0|2,0,0]=4 596 B13R0.340 CCCCOCCNC(=O)[C@@H](O)CC WXVL_AK9674SB3573 [0,2,0,0,0,0|2,0,0]=4 597 B13R0.340 CCCCOCCNC(=O)[C@H](C)CC WXVL_AK9674SB00054 [0,2,0,0,0,0|2,0,0]=4 598 B13R0.340 CCCCOCCNC(=O)[C@H](C)CC WXVL_AK9674SB00054 [0,2,0,0,0,0|2,0,0]=4 599 B13R0.340 CC[C@@H](C)C(=O)NCCCCCCO WXVL_AK0751SB00054 [0,2,0,0,0,0|2,0,0]=4 600 B13R0.340 CC[C@@H](C)C(=O)NCCCCCCO WXVL_AK0751SB00054 [0,2,0,0,0,0|2,0,0]=4 601 B13R0.340 CC[C@H](O)C(=O)NCCCCCCO WXVL_AK0751SB3573 [0,2,0,0,0,0|2,0,0]=4 602 B13R0.340 CC[C@H](O)C(=O)NCCCCCCO WXVL_AK0751SB3573 [0,2,0,0,0,0|2,0,0]=4 603 B13R0.1338 CCCCCCCCS(=O)(=O)NCC WXVL_AK00476HU0331 [0,2,0,0,0,0|2,0,0]=4 604 B13R0.1338 CCCCCCCCS(=O)(=O)NCC WXVL_AK00476HU0331 [0,2,0,0,0,0|2,0,0]=4 605 B13R0.115 CCCCC(C)CCC(=O)NC(C)C WXVL_AK0030SB1315 [0,2,0,0,0,0|1,0,0]=3 606 B13R0.115 CCCCC(C)CCC(=O)NC(C)C WXVL_AK0030SB1315 [0,2,0,0,0,0|1,0,0]=3 607 B13R0.274 C#C[C@@H](C)NC(=O)CCCCCCBr WXVL_AK00735SB1386 [0,2,0,0,0,0|2,0,0]=4 608 B13R0.274 C#C[C@@H](C)NC(=O)CCCCCCBr WXVL_AK00735SB1386 [0,2,0,0,0,0|2,0,0]=4 609 B13R0.274 C#C[C@@H](C)NC(=O)CCCCCCC WXVL_AK00735SB0393 [0,2,0,0,0,0|1,0,0]=3 610 B13R0.274 C#C[C@@H](C)NC(=O)CCCCCCC WXVL_AK00735SB0393 [0,2,0,0,0,0|1,0,0]=3 611 B13R0.274 C=CC(C)NC(=O)CCCCCCBr WXVL_AK00769SB1386 [0,2,0,0,0,0|2,0,0]=4 612 B13R0.274 C=CC(C)NC(=O)CCCCCCBr WXVL_AK00769SB1386 [0,2,0,0,0,0|2,0,0]=4 613 B13R0.274 C=CC(C)NC(=O)CCCCCCC WXVL_AK00769SB0393 [0,2,0,0,0,0|1,0,0]=3 614 B13R0.274 C=CC(C)NC(=O)CCCCCCC WXVL_AK00769SB0393 [0,2,0,0,0,0|1,0,0]=3 615 B13R0.274 CC(C#N)NC(=O)CCCCCCBr WXVL_AK00810SB1386 [0,2,0,0,0,0|2,0,0]=4 616 B13R0.274 CC(C#N)NC(=O)CCCCCCBr WXVL_AK00810SB1386 [0,2,0,0,0,0|2,0,0]=4 617 B13R0.274 CCCCCCCC(=O)NC(C)C#N WXVL_AK00810SB0393 [0,2,0,0,0,0|1,0,0]=3 618 B13R0.274 CCCCCCCC(=O)NC(C)C#N WXVL_AK00810SB0393 [0,2,0,0,0,0|1,0,0]=3 619 B13R0.274 CCCCCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0393 [0,2,0,0,0,0|1,0,0]=3 620 B13R0.274 CCCCCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0393 [0,2,0,0,0,0|1,0,0]=3 621 B13R0.274 CCCCCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0393 [0,2,0,0,0,0|1,0,0]=3 622 B13R0.274 CCCCCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0393 [0,2,0,0,0,0|1,0,0]=3 623 B13R0.274 CCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0393 [0,2,0,0,0,0|1,0,0]=3 624 B13R0.274 CCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0393 [0,2,0,0,0,0|1,0,0]=3 625 B13R0.274 CCCCCCNC(=O)CC(C)CC WXVL_AK0286SB0353 [0,2,0,0,0,0|2,0,0]=4 626 B13R0.274 CCCCCCNC(=O)CC(C)CC WXVL_AK0286SB0353 [0,2,0,0,0,0|2,0,0]=4 627 B13R0.274 CCCCCCNC(=O)CC(O)CC WXVL_AK0286SB4092 [0,2,0,0,0,0|2,0,0]=4 628 B13R0.274 CCCCCCNC(=O)CC(O)CC WXVL_AK0286SB4092 [0,2,0,0,0,0|2,0,0]=4 629 B13R0.274 CCCCCCNC(=O)C[C@H](C)CC WXVL_AK0286SB8650 [0,2,0,0,0,0|2,0,0]=4 630 B13R0.274 CCCCCCNC(=O)C[C@H](C)CC WXVL_AK0286SB8650 [0,2,0,0,0,0|2,0,0]=4 631 B13R0.274 CC[C@H](C)NC(=O)CCCCCCBr WXVL_AK00678SB1386 [0,2,0,0,0,0|2,0,0]=4 632 B13R0.274 CC[C@H](C)NC(=O)CCCCCCBr WXVL_AK00678SB1386 [0,2,0,0,0,0|2,0,0]=4 633 B13R0.274 C[C@@H](CF)NC(=O)CCCCCCBr WXVL_AK00558SB1386 [0,2,0,0,0,0|2,0,0]=4 634 B13R0.274 C[C@@H](CF)NC(=O)CCCCCCBr WXVL_AK00558SB1386 [0,2,0,0,0,0|2,0,0]=4 635 B13R0.274 C[C@@H](CO)NC(=O)CCCCCCBr WXVL_AK0109SB1386 [0,2,0,0,0,0|2,0,0]=4 636 B13R0.274 C[C@@H](CO)NC(=O)CCCCCCBr WXVL_AK0109SB1386 [0,2,0,0,0,0|2,0,0]=4 637 B13R0.286 CC(C)(C)NC(=O)CCCCCCBr WXVL_AK0024SB1386 [0,2,0,0,0,0|2,0,0]=4 638 B13R0.286 CC(C)(C)NC(=O)CCCCCCBr WXVL_AK0024SB1386 [0,2,0,0,0,0|2,0,0]=4 639 B13R0.286 CCCCCCCC(=O)NC(C)(C)C WXVL_AK0024SB0393 [0,2,0,0,0,0|1,0,0]=3 640 B13R0.286 CCCCCCCC(=O)NC(C)(C)C WXVL_AK0024SB0393 [0,2,0,0,0,0|1,0,0]=3 641 B13R0.286 CCCCCCNC(=O)CC(C)(C)C WXVL_AK0286SB0062 [0,2,0,0,0,0|2,0,0]=4 642 B13R0.286 CCCCCCNC(=O)CC(C)(C)C WXVL_AK0286SB0062 [0,2,0,0,0,0|2,0,0]=4 643 B13R0.286 CCCCCCNC(=O)CC(C)(C)O WXVL_AK0286SB0163 [0,2,0,0,0,0|2,0,0]=4 644 B13R0.286 CCCCCCNC(=O)CC(C)(C)O WXVL_AK0286SB0163 [0,2,0,0,0,0|2,0,0]=4 645 B13R0.332 CCOC(=O)CCNC(=O)CC(C)C WXVL_AK0465SB0063 [0,2,0,0,0,0|1,0,1]=4 646 B13R0.332 CCOC(=O)CCNC(=O)CC(C)C WXVL_AK0465SB0063 [0,2,0,0,0,0|1,0,1]=4 647 B13R0.332 CCOC(=O)CCNC(=O)CC(C)O WXVL_AK0465SB3643 [0,2,0,0,0,0|1,0,1]=4 648 B13R0.332 CCOC(=O)CCNC(=O)CC(C)O WXVL_AK0465SB3643 [0,2,0,0,0,0|1,0,1]=4 649 B13R0.337 CC(C)N(C)C(=O)CCCCCCBr WXVL_AN0073SB1386 [0,2,0,0,0,0|2,0,0]=4 650 B13R0.337 CC(C)N(C)C(=O)CCCCCCBr WXVL_AN0073SB1386 [0,2,0,0,0,0|2,0,0]=4 651 B13R0.337 CCCCCCCC(=O)N(C)C(C)C WXVL_AN0073SB0393 [0,2,0,0,0,0|1,0,0]=3 652 B13R0.337 CCCCCCCC(=O)N(C)C(C)C WXVL_AN0073SB0393 [0,2,0,0,0,0|1,0,0]=3 653 B13R0.337 CCCCCCNC(=O)C(=O)C(C)C WXVL_AK0286SB2578 [0,2,0,0,0,0|2,0,0]=4 654 B13R0.337 CCCCCCNC(=O)C(=O)C(C)C WXVL_AK0286SB2578 [0,2,0,0,0,0|2,0,0]=4 655 B13R0.337 CCCCCCNC(=O)C(O)C(C)C WXVL_AK0286SB1147 [0,2,0,0,0,0|2,0,0]=4 656 B13R0.337 CCCCCCNC(=O)C(O)C(C)C WXVL_AK0286SB1147 [0,2,0,0,0,0|2,0,0]=4 657 B13R0.112 CCCCCCNC(=O)C(C)(C)CC WXVL_AK0286SB0355 [0,2,0,0,0,0|2,0,0]=4 658 B13R0.112 CCCCCCNC(=O)C(C)(C)CC WXVL_AK0286SB0355 [0,2,0,0,0,0|2,0,0]=4 659 B13R0.112 CCCCCCNC(=O)C(C)(O)CC WXVL_AK0286SB3009 [0,2,0,0,0,0|2,0,0]=4 660 B13R0.112 CCCCCCNC(=O)C(C)(O)CC WXVL_AK0286SB3009 [0,2,0,0,0,0|2,0,0]=4 661 B13R0.277 CCCCCCCC(=O)N(CC)CC WXVL_AN0042SB0393 [0,2,0,0,0,0|1,0,0]=3 662 B13R0.277 CCCCCCCC(=O)N(CC)CC WXVL_AN0042SB0393 [0,2,0,0,0,0|1,0,0]=3 663 B13R0.277 CCCCCCNC(=O)C(CC)CC WXVL_AK0286SB0055 [0,2,0,0,0,0|2,0,0]=4 664 B13R0.277 CCCCCCNC(=O)C(CC)CC WXVL_AK0286SB0055 [0,2,0,0,0,0|2,0,0]=4 665 B13R0.277 CCN(CC)C(=O)CCCCCCBr WXVL_AN0042SB1386 [0,2,0,0,0,0|2,0,0]=4 666 B13R0.277 CCN(CC)C(=O)CCCCCCBr WXVL_AN0042SB1386 [0,2,0,0,0,0|2,0,0]=4 667 B13R0.369 CCOC(=O)CCNC(=O)C(C)CC WXVL_AK0465SB0054 [0,2,0,0,0,0|1,0,1]=4 668 B13R0.369 CCOC(=O)CCNC(=O)C(C)CC WXVL_AK0465SB0054 [0,2,0,0,0,0|1,0,1]=4 669 B13R0.369 CCOC(=O)CCNC(=O)[C@@H](O)CC WXVL_AK0465SB3573 [0,2,0,0,0,0|1,0,1]=4 670 B13R0.369 CCOC(=O)CCNC(=O)[C@@H](O)CC WXVL_AK0465SB3573 [0,2,0,0,0,0|1,0,1]=4 671 B13R0.369 CCOC(=O)CCNC(=O)[C@H](C)CC WXVL_AK0465SB00054 [0,2,0,0,0,0|1,0,1]=4 672 B13R0.369 CCOC(=O)CCNC(=O)[C@H](C)CC WXVL_AK0465SB00054 [0,2,0,0,0,0|1,0,1]=4 673 B13R0.176 C=CCNC(=O)CCC(C)CCCC WXVL_AK00561SB1315 [0,2,0,0,0,0|1,0,1]=4 674 B13R0.176 C=CCNC(=O)CCC(C)CCCC WXVL_AK00561SB1315 [0,2,0,0,0,0|1,0,1]=4 675 B13R0.176 CCCCC(C)CCC(=O)NCC#N WXVL_AK0683SB1315 [0,2,0,0,0,0|1,0,1]=4 676 B13R0.176 CCCCC(C)CCC(=O)NCC#N WXVL_AK0683SB1315 [0,2,0,0,0,0|1,0,1]=4 677 B13R0.176 CCCCC(C)CCC(=O)NCCC WXVL_AK00504SB1315 [0,2,0,0,0,0|1,0,0]=3 678 B13R0.176 CCCCC(C)CCC(=O)NCCC WXVL_AK00504SB1315 [0,2,0,0,0,0|1,0,0]=3 679 B13R0.176 CCCCC(C)CCC(=O)NCCF WXVL_AK00466SB1315 [0,2,0,0,0,0|1,0,0]=3 680 B13R0.176 CCCCC(C)CCC(=O)NCCF WXVL_AK00466SB1315 [0,2,0,0,0,0|1,0,0]=3 681 B13R0.119 CCOCC(=O)NCCCCN(C)C WXVL_AK0097SB0091 [0,2,0,0,0,0|2,0,0]=4 682 B13R0.119 CCOCC(=O)NCCCCN(C)C WXVL_AK0097SB0091 [0,2,0,0,0,0|2,0,0]=4 683 B13R0.154 C=C(C)CNC(=O)CCCCCCBr WXVL_AK0761SB1386 [0,2,0,0,0,0|2,0,0]=4 684 B13R0.154 C=C(C)CNC(=O)CCCCCCBr WXVL_AK0761SB1386 [0,2,0,0,0,0|2,0,0]=4 685 B13R0.154 C=C(C)CNC(=O)CCCCCCC WXVL_AK0761SB0393 [0,2,0,0,0,0|1,0,0]=3 686 B13R0.154 C=C(C)CNC(=O)CCCCCCC WXVL_AK0761SB0393 [0,2,0,0,0,0|1,0,0]=3 687 B13R0.154 CC(C)CNC(=O)CCCCCCBr WXVL_AK00544SB1386 [0,2,0,0,0,0|2,0,0]=4 688 B13R0.154 CC(C)CNC(=O)CCCCCCBr WXVL_AK00544SB1386 [0,2,0,0,0,0|2,0,0]=4 689 B13R0.154 CC(C)OCC(=O)NCCCCCO WXVL_AK0077SB0213 [0,2,0,0,0,0|2,0,0]=4 690 B13R0.154 CC(C)OCC(=O)NCCCCCO WXVL_AK0077SB0213 [0,2,0,0,0,0|2,0,0]=4 691 B13R0.154 CC(O)CNC(=O)CCCCCCBr WXVL_AK0052SB1386 [0,2,0,0,0,0|2,0,0]=4 692 B13R0.154 CC(O)CNC(=O)CCCCCCBr WXVL_AK0052SB1386 [0,2,0,0,0,0|2,0,0]=4 693 B13R0.154 CCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0393 [0,2,0,0,0,0|1,0,1]=4 694 B13R0.154 CCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0393 [0,2,0,0,0,0|1,0,1]=4 695 B13R0.154 CCCCCCCC(=O)NCC(C)C WXVL_AK00544SB0393 [0,2,0,0,0,0|1,0,0]=3 696 B13R0.154 CCCCCCCC(=O)NCC(C)C WXVL_AK00544SB0393 [0,2,0,0,0,0|1,0,0]=3 697 B13R0.154 CCCCCCCC(=O)NCC(C)O WXVL_AK0052SB0393 [0,2,0,0,0,0|1,0,0]=3 698 B13R0.154 CCCCCCCC(=O)NCC(C)O WXVL_AK0052SB0393 [0,2,0,0,0,0|1,0,0]=3 699 B13R0.154 CCCCCCCC(=O)NCC(F)F WXVL_AK0136SB0393 [0,2,0,0,0,0|1,0,0]=3 700 B13R0.154 CCCCCCCC(=O)NCC(F)F WXVL_AK0136SB0393 [0,2,0,0,0,0|1,0,0]=3 701 B13R0.154 CCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB0393 [0,2,0,0,0,0|1,0,0]=3 702 B13R0.154 CCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB0393 [0,2,0,0,0,0|1,0,0]=3 703 B13R0.154 CCCCCCNC(=O)/C=C/C(C)C WXVL_AK0286SB0036 [0,2,0,0,0,0|2,0,0]=4 704 B13R0.154 CCCCCCNC(=O)/C=C/C(C)C WXVL_AK0286SB0036 [0,2,0,0,0,0|2,0,0]=4 705 B13R0.154 CCCCCCNC(=O)CCC(=O)C WXVL_AK0286SB0072 [0,2,0,0,0,0|2,0,0]=4 706 B13R0.154 CCCCCCNC(=O)CCC(=O)C WXVL_AK0286SB0072 [0,2,0,0,0,0|2,0,0]=4 707 B13R0.154 CCCCCCNC(=O)CCC(C)C WXVL_AK0286SB0354 [0,2,0,0,0,0|2,0,0]=4 708 B13R0.154 CCCCCCNC(=O)CCC(C)C WXVL_AK0286SB0354 [0,2,0,0,0,0|2,0,0]=4 709 B13R0.154 CCCCCCNC(=O)CCN(C)C WXVL_AK0286SB00052 [0,2,0,0,0,0|2,0,0]=4 710 B13R0.154 CCCCCCNC(=O)CCN(C)C WXVL_AK0286SB00052 [0,2,0,0,0,0|2,0,0]=4 711 B13R0.154 CCCCCCNC(=O)COC(=O)C WXVL_AK0286SB2824 [0,2,0,0,0,0|1,0,1]=4 712 B13R0.154 CCCCCCNC(=O)COC(=O)C WXVL_AK0286SB2824 [0,2,0,0,0,0|1,0,1]=4 713 B13R0.154 CCCCCCNC(=O)COC(C)C WXVL_AK0286SB0213 [0,2,0,0,0,0|1,0,0]=3 714 B13R0.154 CCCCCCNC(=O)COC(C)C WXVL_AK0286SB0213 [0,2,0,0,0,0|1,0,0]=3 715 B13R0.154 CCOCCCNC(=O)COC(C)C WXVL_AK0072SB0213 [0,2,0,0,0,0|2,0,0]=4 716 B13R0.154 CCOCCCNC(=O)COC(C)C WXVL_AK0072SB0213 [0,2,0,0,0,0|2,0,0]=4 717 B13R0.154 C[C@H](O)CNC(=O)CCCCCCBr WXVL_AK0113SB1386 [0,2,0,0,0,0|2,0,0]=4 718 B13R0.154 C[C@H](O)CNC(=O)CCCCCCBr WXVL_AK0113SB1386 [0,2,0,0,0,0|2,0,0]=4 719 B13R0.154 O=C(CCCCCCBr)NCC(F)F WXVL_AK0136SB1386 [0,2,0,0,0,0|2,0,0]=4 720 B13R0.154 O=C(CCCCCCBr)NCC(F)F WXVL_AK0136SB1386 [0,2,0,0,0,0|2,0,0]=4 721 B13R0.338 C#CCCCC(=O)NCCCCCC WXVL_AK0286SB2709 [0,2,0,0,0,0|2,0,0]=4 722 B13R0.338 C#CCCCC(=O)NCCCCCC WXVL_AK0286SB2709 [0,2,0,0,0,0|2,0,0]=4 723 B13R0.338 C#CCCNC(=O)CCCCCCBr WXVL_AK3109SB1386 [0,2,0,0,0,0|2,0,0]=4 724 B13R0.338 C#CCCNC(=O)CCCCCCBr WXVL_AK3109SB1386 [0,2,0,0,0,0|2,0,0]=4 725 B13R0.338 C#CCCNC(=O)CCCCCCC WXVL_AK3109SB0393 [0,2,0,0,0,0|1,0,0]=3 726 B13R0.338 C#CCCNC(=O)CCCCCCC WXVL_AK3109SB0393 [0,2,0,0,0,0|1,0,0]=3 727 B13R0.338 C=CCCCC(=O)NCCCCCC WXVL_AK0286SB2920 [0,2,0,0,0,0|2,0,0]=4 728 B13R0.338 C=CCCCC(=O)NCCCCCC WXVL_AK0286SB2920 [0,2,0,0,0,0|2,0,0]=4 729 B13R0.338 C=CCCNC(=O)CCCCCCBr WXVL_AK00138SB1386 [0,2,0,0,0,0|2,0,0]=4 730 B13R0.338 C=CCCNC(=O)CCCCCCBr WXVL_AK00138SB1386 [0,2,0,0,0,0|2,0,0]=4 731 B13R0.338 C=CCCNC(=O)CCCCCCC WXVL_AK00138SB0393 [0,2,0,0,0,0|1,0,0]=3 732 B13R0.338 C=CCCNC(=O)CCCCCCC WXVL_AK00138SB0393 [0,2,0,0,0,0|1,0,0]=3 733 B13R0.338 CC/C=C/CC(=O)NCCCCCC WXVL_AK0286SB0349 [0,2,0,0,0,0|2,0,0]=4 734 B13R0.338 CC/C=C/CC(=O)NCCCCCC WXVL_AK0286SB0349 [0,2,0,0,0,0|2,0,0]=4 735 B13R0.338 CCCCCCCC(=O)NCCC#N WXVL_AK0087SB0393 [0,2,0,0,0,0|1,0,0]=3 736 B13R0.338 CCCCCCCC(=O)NCCC#N WXVL_AK0087SB0393 [0,2,0,0,0,0|1,0,0]=3 737 B13R0.338 CCCCCCCC(=O)NCCCC WXVL_AK00588SB0393 [0,2,0,0,0,0|1,0,0]=3 738 B13R0.338 CCCCCCCC(=O)NCCCC WXVL_AK00588SB0393 [0,2,0,0,0,0|1,0,0]=3 739 B13R0.338 CCCCCCCC(=O)NCCCO WXVL_AK0073SB0393 [0,2,0,0,0,0|1,0,0]=3 740 B13R0.338 CCCCCCCC(=O)NCCCO WXVL_AK0073SB0393 [0,2,0,0,0,0|1,0,0]=3 741 B13R0.338 CCCCCCCC(=O)NCCSC WXVL_AK00440SB0393 [0,2,0,0,0,0|1,0,0]=3 742 B13R0.338 CCCCCCCC(=O)NCCSC WXVL_AK00440SB0393 [0,2,0,0,0,0|1,0,0]=3 743 B13R0.338 CCCCCCNC(=O)/C=C/OCC WXVL_AK0286SB3226 [0,2,0,0,0,0|1,0,0]=3 744 B13R0.338 CCCCCCNC(=O)/C=C/OCC WXVL_AK0286SB3226 [0,2,0,0,0,0|1,0,0]=3 745 B13R0.338 CCCCCCNC(=O)CCCCBr WXVL_AK0286SB3153 [0,2,0,0,0,0|2,0,0]=4 746 B13R0.338 CCCCCCNC(=O)CCCCBr WXVL_AK0286SB3153 [0,2,0,0,0,0|2,0,0]=4 747 B13R0.338 CCCCCCNC(=O)CCCCCl WXVL_AK0286SB0379 [0,2,0,0,0,0|2,0,0]=4 748 B13R0.338 CCCCCCNC(=O)CCCCCl WXVL_AK0286SB0379 [0,2,0,0,0,0|2,0,0]=4 749 B13R0.338 CCCCCCNC(=O)NCCCCl WXVL_AK0286YV0130 [0,2,0,0,0,0|2,0,0]=4 750 B13R0.338 CCCCCCNC(=O)NCCCCl WXVL_AK0286YV0130 [0,2,0,0,0,0|2,0,0]=4 751 B13R0.338 CCCCNC(=O)CCCCCCBr WXVL_AK00588SB1386 [0,2,0,0,0,0|2,0,0]=4 752 B13R0.338 CCCCNC(=O)CCCCCCBr WXVL_AK00588SB1386 [0,2,0,0,0,0|2,0,0]=4 753 B13R0.338 CCO/C=C/C(=O)NCCCCCO WXVL_AK0077SB3226 [0,2,0,0,0,0|2,0,0]=4 754 B13R0.338 CCO/C=C/C(=O)NCCCCCO WXVL_AK0077SB3226 [0,2,0,0,0,0|2,0,0]=4 755 B13R0.338 CCO/C=C/C(=O)NCCCOCC WXVL_AK0072SB3226 [0,2,0,0,0,0|2,0,0]=4 756 B13R0.338 CCO/C=C/C(=O)NCCCOCC WXVL_AK0072SB3226 [0,2,0,0,0,0|2,0,0]=4 757 B13R0.338 CSCCNC(=O)CCCCCCBr WXVL_AK00440SB1386 [0,2,0,0,0,0|2,0,0]=4 758 B13R0.338 CSCCNC(=O)CCCCCCBr WXVL_AK00440SB1386 [0,2,0,0,0,0|2,0,0]=4 759 B13R0.338 N#CCCNC(=O)CCCCCCBr WXVL_AK0087SB1386 [0,2,0,0,0,0|2,0,0]=4 760 B13R0.338 N#CCCNC(=O)CCCCCCBr WXVL_AK0087SB1386 [0,2,0,0,0,0|2,0,0]=4 761 B13R0.338 O=C(CCCCCCBr)NCCCO WXVL_AK0073SB1386 [0,2,0,0,0,0|2,0,0]=4 762 B13R0.338 O=C(CCCCCCBr)NCCCO WXVL_AK0073SB1386 [0,2,0,0,0,0|2,0,0]=4 763 B13R0.89 CCC[C@H](C)NC(=O)CC(=O)OCC WXVL_AK00682SB3094 [0,2,0,0,0,0|1,0,1]=4 764 B13R0.89 CCC[C@H](C)NC(=O)CC(=O)OCC WXVL_AK00682SB3094 [0,2,0,0,0,0|1,0,1]=4 765 B13R0.331 CCCC(=O)NC(C)CCCC(C)C WXVL_AK00574SB0073 [0,2,0,0,0,0|2,0,0]=4 766 B13R0.331 CCCC(=O)NC(C)CCCC(C)C WXVL_AK00574SB0073 [0,2,0,0,0,0|2,0,0]=4 767 B13R0.331 CCOC(=O)CC(=O)NCCC(C)C WXVL_AK0068SB3094 [0,2,0,0,0,0|1,0,1]=4 768 B13R0.331 CCOC(=O)CC(=O)NCCC(C)C WXVL_AK0068SB3094 [0,2,0,0,0,0|1,0,1]=4 769 B13R0.809 CCCCNS(=O)(=O)CC(=O)OCC WXVL_AK00588HU0462 [0,2,0,0,0,0|2,0,0]=4 770 B13R0.809 CCCCNS(=O)(=O)CC(=O)OCC WXVL_AK00588HU0462 [0,2,0,0,0,0|2,0,0]=4 771 B13R0.1523 CCCS(=O)(=O)NCCC(=O)OCC WXVL_AK0465HU0030 [0,2,0,0,0,0|2,0,0]=4 772 B13R0.1523 CCCS(=O)(=O)NCCC(=O)OCC WXVL_AK0465HU0030 [0,2,0,0,0,0|2,0,0]=4 773 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [1,0,0,1,0,0|1,0,0]=3 774 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [1,0,0,1,0,0|1,0,0]=3 775 B11R1.16 CCNC(=O)C1CCCCO1 WXVL_AK00476SB0206 [1,0,0,1,0,0|2,0,0]=4 776 B11R1.16 CCNC(=O)C1CCCCO1 WXVL_AK00476SB0206 [1,0,0,1,0,0|2,0,0]=4 777 B11R1.16 CCNC(=O)C1CCOCC1 WXVL_AK00476SB0149 [1,0,0,1,0,0|2,0,0]=4 778 B11R1.16 CCNC(=O)C1CCOCC1 WXVL_AK00476SB0149 [1,0,0,1,0,0|2,0,0]=4 779 B11R1.16 CCNC(=O)C1CCSCC1 WXVL_AK00476SB0752 [1,0,0,1,0,0|2,0,0]=4 780 B11R1.16 CCNC(=O)C1CCSCC1 WXVL_AK00476SB0752 [1,0,0,1,0,0|2,0,0]=4 781 B11R1.16 CCNC(=O)[C@H]1CCCCO1 WXVL_AK00476SB00044 [1,0,0,1,0,0|2,0,0]=4 782 B11R1.16 CCNC(=O)[C@H]1CCCCO1 WXVL_AK00476SB00044 [1,0,0,1,0,0|2,0,0]=4 783 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [1,0,0,1,0,0|1,0,0]=3 784 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [1,0,0,1,0,0|1,0,0]=3 785 B11R1.30 CCNC(=O)CN1CCCC1 WXVL_AK00476SB0201 [1,0,0,1,0,0|2,0,0]=4 786 B11R1.30 CCNC(=O)CN1CCCC1 WXVL_AK00476SB0201 [1,0,0,1,0,0|2,0,0]=4 787 B11R1.199 CCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0073 [1,0,0,1,0,0|2,0,0]=4 788 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [1,0,0,1,0,0|1,0,0]=3 789 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [1,0,0,1,0,0|1,0,0]=3 790 B11R1.199 CCNC(=O)[C@@H]1CCCN1C WXVL_AK00476SB1197 [1,0,0,1,0,0|2,0,0]=4 791 B11R1.199 CCNC(=O)[C@@H]1CCCN1C WXVL_AK00476SB1197 [1,0,0,1,0,0|2,0,0]=4 792 B11R1.289 CCCC(=O)NCC1CCC1 WXVL_AK00492SB0073 [1,0,0,1,0,0|2,0,0]=4 793 B11R1.289 CCCC(=O)NCC1CCC1 WXVL_AK00492SB0073 [1,0,0,1,0,0|2,0,0]=4 794 B11R1.289 CCNC(=O)CCC1CCC1 WXVL_AK00476SB8784 [1,0,0,1,0,0|1,0,0]=3 795 B11R1.289 CCNC(=O)CCC1CCC1 WXVL_AK00476SB8784 [1,0,0,1,0,0|1,0,0]=3 796 B11R1.290 CCCC(=O)NCCC1CC1 WXVL_AK00594SB0073 [1,0,0,1,0,0|2,0,0]=4 797 B11R1.290 CCCC(=O)NCCC1CC1 WXVL_AK00594SB0073 [1,0,0,1,0,0|2,0,0]=4 798 B11R1.356 CCCCCNC(=O)C1CC1 WXVL_AK0076SB0038 [1,0,0,1,0,0|2,0,0]=4 799 B11R1.356 CCCCCNC(=O)C1CC1 WXVL_AK0076SB0038 [1,0,0,1,0,0|2,0,0]=4 800 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [1,0,0,1,0,0|1,0,0]=3 801 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [1,0,0,1,0,0|1,0,0]=3 802 B11R1.25 CCC(=O)NCC1CCOC1 WXVL_AK00634SB0064 [1,0,0,1,0,0|2,0,0]=4 803 B11R1.25 CCC(=O)NCC1CCOC1 WXVL_AK00634SB0064 [1,0,0,1,0,0|2,0,0]=4 804 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0064 [1,0,0,1,0,0|2,0,0]=4 805 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0064 [1,0,0,1,0,0|2,0,0]=4 806 B11R1.25 CCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0064 [1,0,0,1,0,0|2,0,0]=4 807 B11R1.25 CCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0064 [1,0,0,1,0,0|2,0,0]=4 808 B11R1.25 CNC(=O)CCC1CCCC1 WXVL_AK00442SB0045 [1,0,0,1,0,0|1,0,0]=3 809 B11R1.25 CNC(=O)CCC1CCCC1 WXVL_AK00442SB0045 [1,0,0,1,0,0|1,0,0]=3 810 B11R1.25 CNC(=O)CCN1CCCC1 WXVL_AK00442SB0766 [1,0,0,1,0,0|2,0,0]=4 811 B11R1.25 CNC(=O)CCN1CCCC1 WXVL_AK00442SB0766 [1,0,0,1,0,0|2,0,0]=4 812 B11R1.25 CNC(=O)COC1CCCC1 WXVL_AK00442SB0754 [1,0,0,1,0,0|2,0,0]=4 813 B11R1.25 CNC(=O)COC1CCCC1 WXVL_AK00442SB0754 [1,0,0,1,0,0|2,0,0]=4 814 B11R1.25 O=C(CO)NCC1CCCC1 WXVL_AK0303SB2706 [1,0,0,1,0,0|2,0,0]=4 815 B11R1.25 O=C(CO)NCC1CCCC1 WXVL_AK0303SB2706 [1,0,0,1,0,0|2,0,0]=4 816 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [1,0,0,1,0,0|1,0,0]=3 817 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [1,0,0,1,0,0|1,0,0]=3 818 B11R1.40 CCC(=O)NC1CCCOC1 WXVL_AK1073SB0064 [1,0,0,1,0,0|2,0,0]=4 819 B11R1.40 CCC(=O)NC1CCCOC1 WXVL_AK1073SB0064 [1,0,0,1,0,0|2,0,0]=4 820 B11R1.40 CNC(=O)CC1CCCCO1 WXVL_AK00442SB1464 [1,0,0,1,0,0|2,0,0]=4 821 B11R1.40 CNC(=O)CC1CCCCO1 WXVL_AK00442SB1464 [1,0,0,1,0,0|2,0,0]=4 822 B11R1.40 CNC(=O)CC1CCOCC1 WXVL_AK00442SB0194 [1,0,0,1,0,0|2,0,0]=4 823 B11R1.40 CNC(=O)CC1CCOCC1 WXVL_AK00442SB0194 [1,0,0,1,0,0|2,0,0]=4 824 B11R1.40 CNC(=O)CN1CCCCC1 WXVL_AK00442SB0186 [1,0,0,1,0,0|2,0,0]=4 825 B11R1.40 CNC(=O)CN1CCCCC1 WXVL_AK00442SB0186 [1,0,0,1,0,0|2,0,0]=4 826 B11R1.40 O=C(CO)NC1CCCCC1 WXVL_AK00480SB2706 [1,0,0,1,0,0|2,0,0]=4 827 B11R1.40 O=C(CO)NC1CCCCC1 WXVL_AK00480SB2706 [1,0,0,1,0,0|2,0,0]=4 828 B11R1.59 CCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0064 [1,0,0,1,0,0|2,0,0]=4 829 B11R1.222 CCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0064 [1,0,0,1,0,0|1,0,0]=3 830 B11R1.222 CCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0064 [1,0,0,1,0,0|2,0,0]=4 831 B11R1.222 CCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0064 [1,0,0,1,0,0|2,0,0]=4 832 B11R1.222 CCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0064 [1,0,0,1,0,0|2,0,0]=4 833 B11R1.222 CNC(=O)[C@H]1CCCCN1C WXVL_AK00442SB4055 [1,0,0,1,0,0|2,0,0]=4 834 B11R1.222 CNC(=O)[C@H]1CCCCN1C WXVL_AK00442SB4055 [1,0,0,1,0,0|2,0,0]=4 835 B11R1.222 C[C@H]1CCCCN1C(=O)CO WXVL_AN00851SB2706 [1,0,0,1,0,0|2,0,0]=4 836 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [1,0,0,1,0,0|1,0,0]=3 837 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [1,0,0,1,0,0|1,0,0]=3 838 B11R1.236 O=C(CO)NCCC1CCC1 WXVL_AK2418SB2706 [1,0,0,1,0,0|2,0,0]=4 839 B11R1.236 O=C(CO)NCCC1CCC1 WXVL_AK2418SB2706 [1,0,0,1,0,0|2,0,0]=4 840 B11R1.852 CCC(=O)N1CCCOCC1 WXVL_AN00350SB0064 [1,0,0,1,0,0|2,0,0]=4 841 B11R1.852 CCC(=O)N1CCCOCC1 WXVL_AN00350SB0064 [1,0,0,1,0,0|2,0,0]=4 842 B11R1.852 CNC(=O)C1CCCCCC1 WXVL_AK00442SB0385 [1,0,0,1,0,0|1,0,0]=3 843 B11R1.852 CNC(=O)C1CCCCCC1 WXVL_AK00442SB0385 [1,0,0,1,0,0|1,0,0]=3 844 B13R1.42 CCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0073 [0,1,0,1,0,0|2,0,0]=4 845 B13R1.42 CCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0073 [0,1,0,1,0,0|2,0,0]=4 846 B13R1.42 CCCC(=O)NCC1CCCOC1 WXVL_AK00150SB0073 [0,1,0,1,0,0|2,0,0]=4 847 B13R1.42 CCCC(=O)NCC1CCCOC1 WXVL_AK00150SB0073 [0,1,0,1,0,0|2,0,0]=4 848 B13R1.42 CCCC(=O)NCC1CCOCC1 WXVL_AK0150SB0073 [0,1,0,1,0,0|2,0,0]=4 849 B13R1.42 CCCC(=O)NCC1CCOCC1 WXVL_AK0150SB0073 [0,1,0,1,0,0|2,0,0]=4 850 B13R1.42 CCCC(=O)NCC1CCSCC1 WXVL_AK00654SB0073 [0,1,0,1,0,0|2,0,0]=4 851 B13R1.42 CCCC(=O)NCC1CCSCC1 WXVL_AK00654SB0073 [0,1,0,1,0,0|2,0,0]=4 852 B13R1.42 CCNC(=O)/C=C/C1CCCCC1 WXVL_AK00476SB5384 [0,1,0,1,0,0|1,0,1]=4 853 B13R1.42 CCNC(=O)/C=C/C1CCCCC1 WXVL_AK00476SB5384 [0,1,0,1,0,0|1,0,1]=4 854 B13R1.42 CCNC(=O)CCC1CCCCC1 WXVL_AK00476SB0049 [0,1,0,1,0,0|1,0,0]=3 855 B13R1.42 CCNC(=O)CCC1CCCCC1 WXVL_AK00476SB0049 [0,1,0,1,0,0|1,0,0]=3 856 B13R1.42 CCNC(=O)CCN1CCCCC1 WXVL_AK00476SB0127 [0,1,0,1,0,0|1,0,0]=3 857 B13R1.42 CCNC(=O)CCN1CCCCC1 WXVL_AK00476SB0127 [0,1,0,1,0,0|1,0,0]=3 858 B13R1.42 CCNC(=O)CCN1CCOCC1 WXVL_AK00476SB0196 [0,1,0,1,0,0|2,0,0]=4 859 B13R1.42 CCNC(=O)CCN1CCOCC1 WXVL_AK00476SB0196 [0,1,0,1,0,0|2,0,0]=4 860 B13R1.42 CCNC(=O)COC1CCCCC1 WXVL_AK00476SB3400 [0,1,0,1,0,0|1,0,0]=3 861 B13R1.42 CCNC(=O)COC1CCCCC1 WXVL_AK00476SB3400 [0,1,0,1,0,0|1,0,0]=3 862 B13R1.404 C/C=C/C(=O)NCCC1CCCC1 WXVL_AK00531SB0340 [0,1,0,1,0,0|1,0,1]=4 863 B13R1.404 C/C=C/C(=O)NCCC1CCCC1 WXVL_AK00531SB0340 [0,1,0,1,0,0|1,0,1]=4 864 B13R1.404 CC#CC(=O)NCCC1CCCC1 WXVL_AK00531SB1240 [0,1,0,1,0,0|1,0,1]=4 865 B13R1.404 CC#CC(=O)NCCC1CCCC1 WXVL_AK00531SB1240 [0,1,0,1,0,0|1,0,1]=4 866 B13R1.404 CCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0073 [0,1,0,1,0,0|1,0,0]=3 867 B13R1.404 CCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0073 [0,1,0,1,0,0|1,0,0]=3 868 B13R1.404 COCC(=O)NCCC1CCCC1 WXVL_AK00531SB0090 [0,1,0,1,0,0|2,0,0]=4 869 B13R1.404 COCC(=O)NCCC1CCCC1 WXVL_AK00531SB0090 [0,1,0,1,0,0|2,0,0]=4 870 B13R1.404 CSCC(=O)NCCC1CCCC1 WXVL_AK00531SB1267 [0,1,0,1,0,0|2,0,0]=4 871 B13R1.404 CSCC(=O)NCCC1CCCC1 WXVL_AK00531SB1267 [0,1,0,1,0,0|2,0,0]=4 872 B13R1.444 CCCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0073 [0,1,0,1,0,0|2,0,0]=4 873 B13R1.444 CCCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0073 [0,1,0,1,0,0|2,0,0]=4 874 B13R1.464 CCCC(=O)N1CCCCC1CO WXVL_AN0018SB0073 [0,1,0,1,0,0|2,0,0]=4 875 B13R1.464 CCCC(=O)N1CCCCC1CO WXVL_AN0018SB0073 [0,1,0,1,0,0|2,0,0]=4 876 B13R1.3151 CCCCOCCNC(=O)C1CC1 WXVL_AK9674SB0038 [0,1,0,1,0,0|2,0,0]=4 877 B13R1.3151 CCCCOCCNC(=O)C1CC1 WXVL_AK9674SB0038 [0,1,0,1,0,0|2,0,0]=4 878 B13R1.3151 O=C(NCCCCCCO)C1CC1 WXVL_AK0751SB0038 [0,1,0,1,0,0|2,0,0]=4 879 B13R1.3151 O=C(NCCCCCCO)C1CC1 WXVL_AK0751SB0038 [0,1,0,1,0,0|2,0,0]=4 880 B13R1.201 CC(C)CC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0063 [0,1,0,1,0,0|2,0,0]=4 881 B13R1.201 CC(C)NC(=O)[C@H]1CCCCN1C WXVL_AK0030SB4055 [0,1,0,1,0,0|2,0,0]=4 882 B13R1.201 CC(C)NC(=O)[C@H]1CCCCN1C WXVL_AK0030SB4055 [0,1,0,1,0,0|2,0,0]=4 883 B13R1.201 CC(O)CC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB3643 [0,1,0,1,0,0|2,0,0]=4 884 B13R1.348 CC(C)CC(=O)NC1CCCCC1 WXVL_AK00480SB0063 [0,1,0,1,0,0|2,0,0]=4 885 B13R1.348 CC(C)CC(=O)NC1CCCCC1 WXVL_AK00480SB0063 [0,1,0,1,0,0|2,0,0]=4 886 B13R1.348 CC(C)NC(=O)CC1CCCCO1 WXVL_AK0030SB1464 [0,1,0,1,0,0|2,0,0]=4 887 B13R1.348 CC(C)NC(=O)CC1CCCCO1 WXVL_AK0030SB1464 [0,1,0,1,0,0|2,0,0]=4 888 B13R1.348 CC(C)NC(=O)CC1CCOCC1 WXVL_AK0030SB0194 [0,1,0,1,0,0|2,0,0]=4 889 B13R1.348 CC(C)NC(=O)CC1CCOCC1 WXVL_AK0030SB0194 [0,1,0,1,0,0|2,0,0]=4 890 B13R1.348 CC(C)NC(=O)CN1CCCCC1 WXVL_AK0030SB0186 [0,1,0,1,0,0|2,0,0]=4 891 B13R1.348 CC(C)NC(=O)CN1CCCCC1 WXVL_AK0030SB0186 [0,1,0,1,0,0|2,0,0]=4 892 B13R1.348 CC(O)CC(=O)NC1CCCCC1 WXVL_AK00480SB3643 [0,1,0,1,0,0|2,0,0]=4 893 B13R1.348 CC(O)CC(=O)NC1CCCCC1 WXVL_AK00480SB3643 [0,1,0,1,0,0|2,0,0]=4 894 B13R1.593 CC(C)CC(=O)NCC1CCCC1 WXVL_AK0303SB0063 [0,1,0,1,0,0|2,0,0]=4 895 B13R1.593 CC(C)CC(=O)NCC1CCCC1 WXVL_AK0303SB0063 [0,1,0,1,0,0|2,0,0]=4 896 B13R1.593 CC(C)NC(=O)CCC1CCCC1 WXVL_AK0030SB0045 [0,1,0,1,0,0|1,0,0]=3 897 B13R1.593 CC(C)NC(=O)CCC1CCCC1 WXVL_AK0030SB0045 [0,1,0,1,0,0|1,0,0]=3 898 B13R1.593 CC(C)NC(=O)CCN1CCCC1 WXVL_AK0030SB0766 [0,1,0,1,0,0|2,0,0]=4 899 B13R1.593 CC(C)NC(=O)CCN1CCCC1 WXVL_AK0030SB0766 [0,1,0,1,0,0|2,0,0]=4 900 B13R1.593 CC(C)NC(=O)COC1CCCC1 WXVL_AK0030SB0754 [0,1,0,1,0,0|2,0,0]=4 901 B13R1.593 CC(C)NC(=O)COC1CCCC1 WXVL_AK0030SB0754 [0,1,0,1,0,0|2,0,0]=4 902 B13R1.593 CC(O)CC(=O)NCC1CCCC1 WXVL_AK0303SB3643 [0,1,0,1,0,0|2,0,0]=4 903 B13R1.593 CC(O)CC(=O)NCC1CCCC1 WXVL_AK0303SB3643 [0,1,0,1,0,0|2,0,0]=4 904 B13R1.2027 CC(C)CC(=O)NCCC1CCC1 WXVL_AK2418SB0063 [0,1,0,1,0,0|2,0,0]=4 905 B13R1.2027 CC(C)CC(=O)NCCC1CCC1 WXVL_AK2418SB0063 [0,1,0,1,0,0|2,0,0]=4 906 B13R1.2027 CC(O)CC(=O)NCCC1CCC1 WXVL_AK2418SB3643 [0,1,0,1,0,0|2,0,0]=4 907 B13R1.2027 CC(O)CC(=O)NCCC1CCC1 WXVL_AK2418SB3643 [0,1,0,1,0,0|2,0,0]=4 908 B13R1.3574 CCCCCCCC(=O)NC1CC1 WXVL_AK0001SB0393 [0,1,0,1,0,0|1,0,0]=3 909 B13R1.3574 CCCCCCCC(=O)NC1CC1 WXVL_AK0001SB0393 [0,1,0,1,0,0|1,0,0]=3 910 B13R1.3574 CCCCCCNC(=O)CC1CC1 WXVL_AK0286SB0155 [0,1,0,1,0,0|2,0,0]=4 911 B13R1.3574 CCCCCCNC(=O)CC1CC1 WXVL_AK0286SB0155 [0,1,0,1,0,0|2,0,0]=4 912 B13R1.3574 O=C(CCCCCCBr)NC1CC1 WXVL_AK0001SB1386 [0,1,0,1,0,0|2,0,0]=4 913 B13R1.3574 O=C(CCCCCCBr)NC1CC1 WXVL_AK0001SB1386 [0,1,0,1,0,0|2,0,0]=4 914 B13R1.6366 CCCCCCNC(=O)C1CC1C WXVL_AK0286SB0041 [0,1,0,1,0,0|2,0,0]=4 915 B13R1.6366 CCCCCCNC(=O)C1CC1C WXVL_AK0286SB0041 [0,1,0,1,0,0|2,0,0]=4 916 B13R1.6366 CCCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK0286SB1245 [0,1,0,1,0,0|2,0,0]=4 917 B13R1.6366 CCCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK0286SB1245 [0,1,0,1,0,0|2,0,0]=4 918 B13R1.6366 CCCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK0286SB00019 [0,1,0,1,0,0|2,0,0]=4 919 B13R1.6366 CCCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK0286SB00019 [0,1,0,1,0,0|2,0,0]=4 920 B13R1.7456 CC(C)NC(=O)C1CCCCCC1 WXVL_AK0030SB0385 [0,1,0,1,0,0|1,0,0]=3 921 B13R1.7456 CC(C)NC(=O)C1CCCCCC1 WXVL_AK0030SB0385 [0,1,0,1,0,0|1,0,0]=3 922 B13R1.135 CCC(=O)C(=O)NC1CCCCC1 WXVL_AK00480SB0344 [0,1,0,1,0,0|2,0,0]=4 923 B13R1.135 CCC(=O)C(=O)NC1CCCCC1 WXVL_AK00480SB0344 [0,1,0,1,0,0|2,0,0]=4 924 B13R1.135 CCC(C)C(=O)NC1CCCCC1 WXVL_AK00480SB0054 [0,1,0,1,0,0|2,0,0]=4 925 B13R1.135 CCC(C)C(=O)NC1CCCCC1 WXVL_AK00480SB0054 [0,1,0,1,0,0|2,0,0]=4 926 B13R1.135 CC[C@@H](C)C(=O)NC1CCCCC1 WXVL_AK00480SB00054 [0,1,0,1,0,0|2,0,0]=4 927 B13R1.135 CC[C@@H](C)C(=O)NC1CCCCC1 WXVL_AK00480SB00054 [0,1,0,1,0,0|2,0,0]=4 928 B13R1.135 CC[C@H](O)C(=O)NC1CCCCC1 WXVL_AK00480SB3573 [0,1,0,1,0,0|2,0,0]=4 929 B13R1.135 CC[C@H](O)C(=O)NC1CCCCC1 WXVL_AK00480SB3573 [0,1,0,1,0,0|2,0,0]=4 930 B13R1.554 CCC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB0344 [0,1,0,1,0,0|2,0,0]=4 931 B13R1.554 CCC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB0344 [0,1,0,1,0,0|2,0,0]=4 932 B13R1.554 CCC(C)C(=O)NCC1CCCC1 WXVL_AK0303SB0054 [0,1,0,1,0,0|2,0,0]=4 933 B13R1.554 CCC(C)C(=O)NCC1CCCC1 WXVL_AK0303SB0054 [0,1,0,1,0,0|2,0,0]=4 934 B13R1.554 CC[C@@H](C)C(=O)NCC1CCCC1 WXVL_AK0303SB00054 [0,1,0,1,0,0|2,0,0]=4 935 B13R1.554 CC[C@@H](C)C(=O)NCC1CCCC1 WXVL_AK0303SB00054 [0,1,0,1,0,0|2,0,0]=4 936 B13R1.554 CC[C@H](O)C(=O)NCC1CCCC1 WXVL_AK0303SB3573 [0,1,0,1,0,0|2,0,0]=4 937 B13R1.554 CC[C@H](O)C(=O)NCC1CCCC1 WXVL_AK0303SB3573 [0,1,0,1,0,0|2,0,0]=4 938 B13R1.696 CCC(=O)C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0344 [0,1,0,1,0,0|2,0,0]=4 939 B13R1.696 CCC(C)C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0054 [0,1,0,1,0,0|2,0,0]=4 940 B13R1.696 CC[C@@H](C)C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB00054 [0,1,0,1,0,0|2,0,0]=4 941 B13R1.696 CC[C@H](O)C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB3573 [0,1,0,1,0,0|2,0,0]=4 942 B13R1.702 CCC(=O)C(=O)NCCC1CCC1 WXVL_AK2418SB0344 [0,1,0,1,0,0|2,0,0]=4 943 B13R1.702 CCC(=O)C(=O)NCCC1CCC1 WXVL_AK2418SB0344 [0,1,0,1,0,0|2,0,0]=4 944 B13R1.702 CCC(C)C(=O)NCCC1CCC1 WXVL_AK2418SB0054 [0,1,0,1,0,0|2,0,0]=4 945 B13R1.702 CCC(C)C(=O)NCCC1CCC1 WXVL_AK2418SB0054 [0,1,0,1,0,0|2,0,0]=4 946 B13R1.702 CC[C@@H](C)C(=O)NCCC1CCC1 WXVL_AK2418SB00054 [0,1,0,1,0,0|2,0,0]=4 947 B13R1.702 CC[C@@H](C)C(=O)NCCC1CCC1 WXVL_AK2418SB00054 [0,1,0,1,0,0|2,0,0]=4 948 B13R1.702 CC[C@H](O)C(=O)NCCC1CCC1 WXVL_AK2418SB3573 [0,1,0,1,0,0|2,0,0]=4 949 B13R1.702 CC[C@H](O)C(=O)NCCC1CCC1 WXVL_AK2418SB3573 [0,1,0,1,0,0|2,0,0]=4 950 B13R1.3572 CCCCCCNC(=O)C1CCC1 WXVL_AK0286SB0042 [0,1,0,1,0,0|2,0,0]=4 951 B13R1.3572 CCCCCCNC(=O)C1CCC1 WXVL_AK0286SB0042 [0,1,0,1,0,0|2,0,0]=4 952 B13R1.3573 CCCCCCNC(=O)C1(CC1)Br WXVL_AK0286SB5517 [0,1,0,1,0,0|2,0,0]=4 953 B13R1.3573 CCCCCCNC(=O)C1(CC1)Br WXVL_AK0286SB5517 [0,1,0,1,0,0|2,0,0]=4 954 B13R1.3573 CCCCCCNC(=O)C1(CC1)C WXVL_AK0286SB0040 [0,1,0,1,0,0|2,0,0]=4 955 B13R1.3573 CCCCCCNC(=O)C1(CC1)C WXVL_AK0286SB0040 [0,1,0,1,0,0|2,0,0]=4 956 B13R1.3573 CCCCCCNC(=O)C1(CC1)F WXVL_AK0286SB0218 [0,1,0,1,0,0|2,0,0]=4 957 B13R1.3573 CCCCCCNC(=O)C1(CC1)F WXVL_AK0286SB0218 [0,1,0,1,0,0|2,0,0]=4 958 B13R1.3573 CCCCCCNC(=O)C1(CC1)O WXVL_AK0286SB2965 [0,1,0,1,0,0|2,0,0]=4 959 B13R1.3573 CCCCCCNC(=O)C1(CC1)O WXVL_AK0286SB2965 [0,1,0,1,0,0|2,0,0]=4 960 B13R1.41 CCCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0073 [0,1,0,1,0,0|2,0,0]=4 961 B13R1.41 CCCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0073 [0,1,0,1,0,0|2,0,0]=4 962 B13R1.153 C=CCNC(=O)CCC1CCCC1 WXVL_AK00561SB0045 [0,1,0,1,0,0|1,0,1]=4 963 B13R1.153 C=CCNC(=O)CCC1CCCC1 WXVL_AK00561SB0045 [0,1,0,1,0,0|1,0,1]=4 964 B13R1.153 CCCNC(=O)CCC1CCCC1 WXVL_AK00504SB0045 [0,1,0,1,0,0|1,0,0]=3 965 B13R1.153 CCCNC(=O)CCC1CCCC1 WXVL_AK00504SB0045 [0,1,0,1,0,0|1,0,0]=3 966 B13R1.153 CCCNC(=O)CCN1CCCC1 WXVL_AK00504SB0766 [0,1,0,1,0,0|2,0,0]=4 967 B13R1.153 CCCNC(=O)CCN1CCCC1 WXVL_AK00504SB0766 [0,1,0,1,0,0|2,0,0]=4 968 B13R1.153 CCCNC(=O)COC1CCCC1 WXVL_AK00504SB0754 [0,1,0,1,0,0|2,0,0]=4 969 B13R1.153 CCCNC(=O)COC1CCCC1 WXVL_AK00504SB0754 [0,1,0,1,0,0|2,0,0]=4 970 B13R1.153 CCOCC(=O)NCC1CCCC1 WXVL_AK0303SB0091 [0,1,0,1,0,0|1,0,0]=3 971 B13R1.153 CCOCC(=O)NCC1CCCC1 WXVL_AK0303SB0091 [0,1,0,1,0,0|1,0,0]=3 972 B13R1.153 CCOCC(=O)NCC1CCOC1 WXVL_AK00634SB0091 [0,1,0,1,0,0|2,0,0]=4 973 B13R1.153 CCOCC(=O)NCC1CCOC1 WXVL_AK00634SB0091 [0,1,0,1,0,0|2,0,0]=4 974 B13R1.153 CCOCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0091 [0,1,0,1,0,0|2,0,0]=4 975 B13R1.153 CCOCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0091 [0,1,0,1,0,0|2,0,0]=4 976 B13R1.153 CCOCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0091 [0,1,0,1,0,0|2,0,0]=4 977 B13R1.153 CCOCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0091 [0,1,0,1,0,0|2,0,0]=4 978 B13R1.153 CCSCC(=O)NCC1CCCC1 WXVL_AK0303SB0002 [0,1,0,1,0,0|1,1,0]=4 979 B13R1.153 CCSCC(=O)NCC1CCCC1 WXVL_AK0303SB0002 [0,1,0,1,0,0|1,1,0]=4 980 B13R1.153 COCCC(=O)NCC1CCCC1 WXVL_AK0303SB0156 [0,1,0,1,0,0|2,0,0]=4 981 B13R1.153 COCCC(=O)NCC1CCCC1 WXVL_AK0303SB0156 [0,1,0,1,0,0|2,0,0]=4 982 B13R1.153 CSCCC(=O)NCC1CCCC1 WXVL_AK0303SB0361 [0,1,0,1,0,0|2,0,0]=4 983 B13R1.153 CSCCC(=O)NCC1CCCC1 WXVL_AK0303SB0361 [0,1,0,1,0,0|2,0,0]=4 984 B13R1.153 N#CCNC(=O)CCC1CCCC1 WXVL_AK0683SB0045 [0,1,0,1,0,0|1,0,1]=4 985 B13R1.153 N#CCNC(=O)CCC1CCCC1 WXVL_AK0683SB0045 [0,1,0,1,0,0|1,0,1]=4 986 B13R1.153 O=C(CCC1CCCC1)NCCF WXVL_AK00466SB0045 [0,1,0,1,0,0|1,0,0]=3 987 B13R1.153 O=C(CCC1CCCC1)NCCF WXVL_AK00466SB0045 [0,1,0,1,0,0|1,0,0]=3 988 B13R1.153 O=C(CCN1CCCC1)NCCF WXVL_AK00466SB0766 [0,1,0,1,0,0|2,0,0]=4 989 B13R1.153 O=C(CCN1CCCC1)NCCF WXVL_AK00466SB0766 [0,1,0,1,0,0|2,0,0]=4 990 B13R1.153 O=C(COC1CCCC1)NCCF WXVL_AK00466SB0754 [0,1,0,1,0,0|2,0,0]=4 991 B13R1.153 O=C(COC1CCCC1)NCCF WXVL_AK00466SB0754 [0,1,0,1,0,0|2,0,0]=4 992 B13R1.153 O=C(NCCCl)NCC1CCCC1 WXVL_AK0303YV0092 [0,1,0,1,0,0|2,0,0]=4 993 B13R1.153 O=C(NCCCl)NCC1CCCC1 WXVL_AK0303YV0092 [0,1,0,1,0,0|2,0,0]=4 994 B13R1.1462 CCCC(=O)N1CCCCC(C1)C WXVL_AN00290SB0073 [0,1,0,1,0,0|2,0,0]=4 995 B13R1.1462 CCCC(=O)N1CCCCC(C1)C WXVL_AN00290SB0073 [0,1,0,1,0,0|2,0,0]=4 996 B13R1.1483 CCCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0073 [0,1,0,1,0,0|2,0,0]=4 997 B13R1.1483 CCCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0073 [0,1,0,1,0,0|2,0,0]=4 998 B13R1.1483 CCCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0073 [0,1,0,1,0,0|2,0,0]=4 999 B13R1.1483 CCCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0073 [0,1,0,1,0,0|2,0,0]=4 1000 B13R1.2909 CCOC(=O)C(=O)N1CCC[C@H]1C WXVL_AN00593SB4144 [0,1,0,1,0,0|1,0,1]=4 1001 B13R1.2966 CCOC(=O)C(=O)NCC1CCC1 WXVL_AK00492SB4144 [0,1,0,1,0,0|1,0,1]=4 1002 B13R1.2966 CCOC(=O)C(=O)NCC1CCC1 WXVL_AK00492SB4144 [0,1,0,1,0,0|1,0,1]=4 1003 B13R1.2967 CCOC(=O)C(=O)NCCC1CC1 WXVL_AK00594SB4144 [0,1,0,1,0,0|1,0,1]=4 1004 B13R1.2967 CCOC(=O)C(=O)NCCC1CC1 WXVL_AK00594SB4144 [0,1,0,1,0,0|1,0,1]=4 1005 B13R1.44 CCCNC(=O)CC1CCCCO1 WXVL_AK00504SB1464 [0,1,0,1,0,0|2,0,0]=4 1006 B13R1.44 CCCNC(=O)CC1CCCCO1 WXVL_AK00504SB1464 [0,1,0,1,0,0|2,0,0]=4 1007 B13R1.44 CCCNC(=O)CC1CCOCC1 WXVL_AK00504SB0194 [0,1,0,1,0,0|2,0,0]=4 1008 B13R1.44 CCCNC(=O)CC1CCOCC1 WXVL_AK00504SB0194 [0,1,0,1,0,0|2,0,0]=4 1009 B13R1.44 CCCNC(=O)CN1CCCCC1 WXVL_AK00504SB0186 [0,1,0,1,0,0|2,0,0]=4 1010 B13R1.44 CCCNC(=O)CN1CCCCC1 WXVL_AK00504SB0186 [0,1,0,1,0,0|2,0,0]=4 1011 B13R1.44 CCOCC(=O)NC1CCCCC1 WXVL_AK00480SB0091 [0,1,0,1,0,0|1,0,0]=3 1012 B13R1.44 CCOCC(=O)NC1CCCCC1 WXVL_AK00480SB0091 [0,1,0,1,0,0|1,0,0]=3 1013 B13R1.44 CCOCC(=O)NC1CCCOC1 WXVL_AK1073SB0091 [0,1,0,1,0,0|2,0,0]=4 1014 B13R1.44 CCOCC(=O)NC1CCCOC1 WXVL_AK1073SB0091 [0,1,0,1,0,0|2,0,0]=4 1015 B13R1.44 CCSCC(=O)NC1CCCCC1 WXVL_AK00480SB0002 [0,1,0,1,0,0|1,1,0]=4 1016 B13R1.44 CCSCC(=O)NC1CCCCC1 WXVL_AK00480SB0002 [0,1,0,1,0,0|1,1,0]=4 1017 B13R1.44 COCCC(=O)NC1CCCCC1 WXVL_AK00480SB0156 [0,1,0,1,0,0|2,0,0]=4 1018 B13R1.44 COCCC(=O)NC1CCCCC1 WXVL_AK00480SB0156 [0,1,0,1,0,0|2,0,0]=4 1019 B13R1.44 CSCCC(=O)NC1CCCCC1 WXVL_AK00480SB0361 [0,1,0,1,0,0|2,0,0]=4 1020 B13R1.44 CSCCC(=O)NC1CCCCC1 WXVL_AK00480SB0361 [0,1,0,1,0,0|2,0,0]=4 1021 B13R1.44 O=C(CC1CCCCO1)NCCF WXVL_AK00466SB1464 [0,1,0,1,0,0|2,0,0]=4 1022 B13R1.44 O=C(CC1CCCCO1)NCCF WXVL_AK00466SB1464 [0,1,0,1,0,0|2,0,0]=4 1023 B13R1.44 O=C(CC1CCOCC1)NCCF WXVL_AK00466SB0194 [0,1,0,1,0,0|2,0,0]=4 1024 B13R1.44 O=C(CC1CCOCC1)NCCF WXVL_AK00466SB0194 [0,1,0,1,0,0|2,0,0]=4 1025 B13R1.44 O=C(CN1CCCCC1)NCCF WXVL_AK00466SB0186 [0,1,0,1,0,0|2,0,0]=4 1026 B13R1.44 O=C(CN1CCCCC1)NCCF WXVL_AK00466SB0186 [0,1,0,1,0,0|2,0,0]=4 1027 B13R1.44 O=C(NCCCl)NC1CCCCC1 WXVL_AK00480YV0092 [0,1,0,1,0,0|2,0,0]=4 1028 B13R1.44 O=C(NCCCl)NC1CCCCC1 WXVL_AK00480YV0092 [0,1,0,1,0,0|2,0,0]=4 1029 B13R1.674 CCCNC(=O)[C@H]1CCCCN1C WXVL_AK00504SB4055 [0,1,0,1,0,0|2,0,0]=4 1030 B13R1.674 CCCNC(=O)[C@H]1CCCCN1C WXVL_AK00504SB4055 [0,1,0,1,0,0|2,0,0]=4 1031 B13R1.674 CCOCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0091 [0,1,0,1,0,0|1,0,0]=3 1032 B13R1.674 CCOCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0091 [0,1,0,1,0,0|2,0,0]=4 1033 B13R1.674 CCOCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0091 [0,1,0,1,0,0|2,0,0]=4 1034 B13R1.674 CCOCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0091 [0,1,0,1,0,0|2,0,0]=4 1035 B13R1.674 CCSCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0002 [0,1,0,1,0,0|1,1,0]=4 1036 B13R1.674 CN1CCCC[C@@H]1C(=O)NCCF WXVL_AK00466SB4055 [0,1,0,1,0,0|2,0,0]=4 1037 B13R1.674 CN1CCCC[C@@H]1C(=O)NCCF WXVL_AK00466SB4055 [0,1,0,1,0,0|2,0,0]=4 1038 B13R1.674 COCCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0156 [0,1,0,1,0,0|2,0,0]=4 1039 B13R1.674 CSCCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0361 [0,1,0,1,0,0|2,0,0]=4 1040 B13R1.674 C[C@H]1CCCCN1C(=O)NCCCl WXVL_AN00851YV0092 [0,1,0,1,0,0|2,0,0]=4 1041 B13R1.683 CCOCC(=O)NCCC1CCC1 WXVL_AK2418SB0091 [0,1,0,1,0,0|1,0,0]=3 1042 B13R1.683 CCOCC(=O)NCCC1CCC1 WXVL_AK2418SB0091 [0,1,0,1,0,0|1,0,0]=3 1043 B13R1.683 CCSCC(=O)NCCC1CCC1 WXVL_AK2418SB0002 [0,1,0,1,0,0|1,1,0]=4 1044 B13R1.683 CCSCC(=O)NCCC1CCC1 WXVL_AK2418SB0002 [0,1,0,1,0,0|1,1,0]=4 1045 B13R1.683 COCCC(=O)NCCC1CCC1 WXVL_AK2418SB0156 [0,1,0,1,0,0|2,0,0]=4 1046 B13R1.683 COCCC(=O)NCCC1CCC1 WXVL_AK2418SB0156 [0,1,0,1,0,0|2,0,0]=4 1047 B13R1.683 CSCCC(=O)NCCC1CCC1 WXVL_AK2418SB0361 [0,1,0,1,0,0|2,0,0]=4 1048 B13R1.683 CSCCC(=O)NCCC1CCC1 WXVL_AK2418SB0361 [0,1,0,1,0,0|2,0,0]=4 1049 B13R1.683 O=C(NCCCl)NCCC1CCC1 WXVL_AK2418YV0092 [0,1,0,1,0,0|2,0,0]=4 1050 B13R1.683 O=C(NCCCl)NCCC1CCC1 WXVL_AK2418YV0092 [0,1,0,1,0,0|2,0,0]=4 1051 B13R1.684 CCOCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0091 [0,1,0,1,0,0|2,0,0]=4 1052 B13R1.2488 C=CCNC(=O)C1CCCCCC1 WXVL_AK00561SB0385 [0,1,0,1,0,0|1,0,1]=4 1053 B13R1.2488 C=CCNC(=O)C1CCCCCC1 WXVL_AK00561SB0385 [0,1,0,1,0,0|1,0,1]=4 1054 B13R1.2488 CCCNC(=O)C1CCCCCC1 WXVL_AK00504SB0385 [0,1,0,1,0,0|1,0,0]=3 1055 B13R1.2488 CCCNC(=O)C1CCCCCC1 WXVL_AK00504SB0385 [0,1,0,1,0,0|1,0,0]=3 1056 B13R1.2488 CCOCC(=O)N1CCCOCC1 WXVL_AN00350SB0091 [0,1,0,1,0,0|2,0,0]=4 1057 B13R1.2488 CCOCC(=O)N1CCCOCC1 WXVL_AN00350SB0091 [0,1,0,1,0,0|2,0,0]=4 1058 B13R1.2488 N#CCNC(=O)C1CCCCCC1 WXVL_AK0683SB0385 [0,1,0,1,0,0|1,0,1]=4 1059 B13R1.2488 N#CCNC(=O)C1CCCCCC1 WXVL_AK0683SB0385 [0,1,0,1,0,0|1,0,1]=4 1060 B13R1.2488 O=C(NCCF)C1CCCCCC1 WXVL_AK00466SB0385 [0,1,0,1,0,0|1,0,0]=3 1061 B13R1.2488 O=C(NCCF)C1CCCCCC1 WXVL_AK00466SB0385 [0,1,0,1,0,0|1,0,0]=3 1062 B13R1.20 CCCC(=O)N[C@H]1CCC[C@H](C1)O WXVL_AK2614SB0073 [0,1,0,1,0,0|2,0,0]=4 1063 B13R1.20 CCCC(=O)N[C@H]1CCC[C@H](C1)O WXVL_AK2614SB0073 [0,1,0,1,0,0|2,0,0]=4 1064 B13R1.33 CCOC(=O)CC(=O)N1CCCC1 WXVL_AN0008SB3094 [0,1,0,1,0,0|1,0,1]=4 1065 B13R1.33 CCOC(=O)CC(=O)N1CCCC1 WXVL_AN0008SB3094 [0,1,0,1,0,0|1,0,1]=4 1066 B13R1.2570 CCCC(=O)NC1(CCCCC1)C WXVL_AK0295SB0073 [0,1,0,1,0,0|2,0,0]=4 1067 B13R1.2570 CCCC(=O)NC1(CCCCC1)C WXVL_AK0295SB0073 [0,1,0,1,0,0|2,0,0]=4 1068 B13R1.4453 CCCC(=O)N1[C@H](CCC[C@H]1C)C WXVL_AN3062SB0073 [0,1,0,1,0,0|2,0,0]=4 1069 B13R1.12 CCCC(=O)N1CCCC(C1C)O WXVL_ANJ336SB0073 [0,1,0,1,0,0|2,0,0]=4 1070 B13R1.12 CCCC(=O)N1CCCC(C1C)O WXVL_ANJ336SB0073 [0,1,0,1,0,0|2,0,0]=4 1071 B13R1.19 CCNC(=O)CC1CCN(CC1)C WXVL_AK00476SB0212 [0,1,0,1,0,0|2,0,0]=4 1072 B13R1.19 CCNC(=O)CC1CCN(CC1)C WXVL_AK00476SB0212 [0,1,0,1,0,0|2,0,0]=4 1073 B13R1.19 CCNC(=O)CN1CCC(CC1)C WXVL_AK00476SB8856 [0,1,0,1,0,0|2,0,0]=4 1074 B13R1.19 CCNC(=O)CN1CCC(CC1)C WXVL_AK00476SB8856 [0,1,0,1,0,0|2,0,0]=4 1075 B13R1.19 CCNC(=O)N[C@H]1CC[C@@H](CC1)C WXVL_AK00476YV0200 [0,1,0,1,0,0|2,0,0]=4 1076 B13R1.19 CCNC(=O)N[C@H]1CC[C@@H](CC1)C WXVL_AK00476YV0200 [0,1,0,1,0,0|2,0,0]=4 1077 B13R1.1463 CCCC(=O)N1CCCC(CC1)C WXVL_AN00326SB0073 [0,1,0,1,0,0|2,0,0]=4 1078 B13R1.1463 CCCC(=O)N1CCCC(CC1)C WXVL_AN00326SB0073 [0,1,0,1,0,0|2,0,0]=4 1079 B13R1.465 CCNC(=O)C1CCCCC1(F)F WXVL_AK00476SBG936 [0,1,0,1,0,0|2,0,0]=4 1080 B13R1.465 CCNC(=O)C1CCCCC1(F)F WXVL_AK00476SBG936 [0,1,0,1,0,0|2,0,0]=4 1081 B13R1.467 CCNC(=O)[C@@H]1CCCN1C(C)C WXVL_AK00476SB0024 [0,1,0,1,0,0|2,0,0]=4 1082 B13R1.467 CCNC(=O)[C@@H]1CCCN1C(C)C WXVL_AK00476SB0024 [0,1,0,1,0,0|2,0,0]=4 1083 B13R1.467 CCOC(=O)[C@@H]1CCCN1C(=O)C WXVL_AN3552SB0150 [0,1,0,1,0,0|1,0,1]=4 1084 B13R1.467 CCOC(=O)[C@@H]1CCCN1C(=O)C WXVL_AN3552SB0150 [0,1,0,1,0,0|1,0,1]=4 1085 B13R1.1496 CCOC(=O)CCNC(=O)C1CC1 WXVL_AK0465SB0038 [0,1,0,1,0,0|1,0,1]=4 1086 B13R1.1496 CCOC(=O)CCNC(=O)C1CC1 WXVL_AK0465SB0038 [0,1,0,1,0,0|1,0,1]=4 1087 B13R2.444 O=C(NC1CCCCC1)C2CC2 WXVL_AK00480SB0038 [0,0,0,2,0,0|2,0,0]=4 1088 B13R2.444 O=C(NC1CCCCC1)C2CC2 WXVL_AK00480SB0038 [0,0,0,2,0,0|2,0,0]=4 1089 B13R2.820 CCCC(=O)N1C2CCC1CC2 WXVL_AN00445SB0073 [0,0,0,2,0,0|2,0,0]=4 1090 B13R2.820 CCCC(=O)N1C2CCC1CC2 WXVL_AN00445SB0073 [0,0,0,2,0,0|2,0,0]=4 1091 B13R2.856 CCCC(=O)N1CC2CCC1C2 WXVL_AN3504SB0073 [0,0,0,2,0,0|2,0,0]=4 1092 B13R2.856 CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 WXVL_AK00476SB1121 [0,0,0,2,0,0|2,0,0]=4 1093 B13R2.856 CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 WXVL_AK00476SB1121 [0,0,0,2,0,0|2,0,0]=4 1094 B13R2.6970 O=C(NCC1CCCC1)C2CC2 WXVL_AK0303SB0038 [0,0,0,2,0,0|2,0,0]=4 1095 B13R2.6970 O=C(NCC1CCCC1)C2CC2 WXVL_AK0303SB0038 [0,0,0,2,0,0|2,0,0]=4 1096 B13R2.3097 C[C@H]1CCCCN1C(=O)C2CC2 WXVL_AN00851SB0038 [0,0,0,2,0,0|2,0,0]=4 1097 B13R2.692 O=C(NCCC1CCC1)C2CC2 WXVL_AK2418SB0038 [0,0,0,2,0,0|2,0,0]=4 1098 B13R2.692 O=C(NCCC1CCC1)C2CC2 WXVL_AK2418SB0038 [0,0,0,2,0,0|2,0,0]=4