0 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [0,0,0,0,0,0|2,0,1]=3 2 B10R0.74 C#CC(=O)NCCCCCO WXVL_AK0077SB0338 [0,0,0,0,0,0|3,0,1]=4 3 B10R0.74 C#CC(=O)NCCCCCO WXVL_AK0077SB0338 [0,0,0,0,0,0|3,0,1]=4 4 B10R0.74 C#CC(=O)NCCCOCC WXVL_AK0072SB0338 [0,0,0,0,0,0|3,0,1]=4 5 B10R0.74 C#CC(=O)NCCCOCC WXVL_AK0072SB0338 [0,0,0,0,0,0|3,0,1]=4 6 B10R0.74 C#CCCCCNC(=O)CC WXVL_AK00614SB0064 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.74 C#CCCCCNC(=O)CC WXVL_AK00614SB0064 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [0,0,0,0,0,0|3,0,0]=3 9 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [0,0,0,0,0,0|3,0,0]=3 10 B10R0.74 CCC(=O)NCCNCCO WXVL_AK0954SB0064 [0,0,0,0,0,0|4,0,0]=4 11 B10R0.74 CCC(=O)NCCNCCO WXVL_AK0954SB0064 [0,0,0,0,0,0|4,0,0]=4 12 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [0,0,0,0,0,0|1,0,2]=3 13 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [0,0,0,0,0,0|1,0,2]=3 14 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [0,0,0,0,0,0|1,0,0]=1 15 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [0,0,0,0,0,0|1,0,0]=1 16 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [0,0,0,0,0,0|2,0,0]=2 17 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [0,0,0,0,0,0|2,0,0]=2 18 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [0,0,0,0,0,0|3,0,0]=3 19 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [0,0,0,0,0,0|3,0,0]=3 20 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [0,0,0,0,0,0|3,0,0]=3 21 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [0,0,0,0,0,0|3,0,0]=3 22 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [0,0,0,0,0,0|4,0,0]=4 23 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [0,0,0,0,0,0|4,0,0]=4 24 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [0,0,0,0,0,0|2,0,0]=2 25 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [0,0,0,0,0,0|2,0,0]=2 26 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [0,0,0,0,0,0|4,0,0]=4 27 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.2 C#CCCCCNC(=O)C WXVL_AK00614SB0150 [1,0,0,0,0,0|1,0,2]=4 29 B9R0.2 C#CCCCCNC(=O)C WXVL_AK00614SB0150 [1,0,0,0,0,0|1,0,2]=4 30 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [1,0,0,0,0,0|2,0,0]=3 31 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [1,0,0,0,0,0|2,0,0]=3 32 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [1,0,0,0,0,0|3,0,0]=4 33 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [1,0,0,0,0,0|3,0,0]=4 34 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [1,0,0,0,0,0|1,0,2]=4 35 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [1,0,0,0,0,0|1,0,2]=4 36 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [1,0,0,0,0,0|1,0,0]=2 37 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [1,0,0,0,0,0|1,0,0]=2 38 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [1,0,0,0,0,0|1,0,0]=2 39 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [1,0,0,0,0,0|1,0,0]=2 40 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [1,0,0,0,0,0|2,0,0]=3 41 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [1,0,0,0,0,0|2,0,0]=3 42 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [1,0,0,0,0,0|2,0,0]=3 43 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [1,0,0,0,0,0|2,0,0]=3 44 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [1,0,0,0,0,0|2,0,1]=4 45 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [1,0,0,0,0,0|3,0,0]=4 47 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [1,0,0,0,0,0|3,0,0]=4 48 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [1,0,0,0,0,0|3,0,0]=4 49 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [1,0,0,0,0,0|3,0,0]=4 50 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [1,0,0,0,0,0|3,0,0]=4 51 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [1,0,0,0,0,0|3,0,0]=4 52 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [1,0,0,0,0,0|2,0,0]=3 53 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [1,0,0,0,0,0|2,0,0]=3 54 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [1,0,0,0,0,0|3,0,0]=4 55 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [1,0,0,0,0,0|3,0,0]=4 56 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [1,0,0,0,0,0|3,0,0]=4 57 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [1,0,0,0,0,0|3,0,0]=4 58 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [1,0,0,0,0,0|2,0,0]=3 59 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [1,0,0,0,0,0|2,0,0]=3 60 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [1,0,0,0,0,0|2,0,0]=3 61 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [1,0,0,0,0,0|2,0,0]=3 62 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [1,0,0,0,0,0|3,0,0]=4 63 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [1,0,0,0,0,0|3,0,0]=4 64 B11R0.4 C#CCC(=O)NCCCCCC WXVL_AK0286SB3070 [0,1,0,0,0,0|2,0,1]=4 65 B11R0.4 C#CCC(=O)NCCCCCC WXVL_AK0286SB3070 [0,1,0,0,0,0|2,0,1]=4 66 B11R0.4 C#CCCCCNC(=O)COC WXVL_AK00614SB0090 [0,1,0,0,0,0|1,0,2]=4 67 B11R0.4 C#CCCCCNC(=O)COC WXVL_AK00614SB0090 [0,1,0,0,0,0|1,0,2]=4 68 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,1,0,0,0,0|2,0,0]=3 69 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,1,0,0,0,0|2,0,0]=3 70 B11R0.4 C/C=C/C(=O)NCCCCCO WXVL_AK0077SB0340 [0,1,0,0,0,0|3,0,0]=4 71 B11R0.4 C/C=C/C(=O)NCCCCCO WXVL_AK0077SB0340 [0,1,0,0,0,0|3,0,0]=4 72 B11R0.4 C/C=C/C(=O)NCCCOCC WXVL_AK0072SB0340 [0,1,0,0,0,0|3,0,0]=4 73 B11R0.4 C/C=C/C(=O)NCCCOCC WXVL_AK0072SB0340 [0,1,0,0,0,0|3,0,0]=4 74 B11R0.4 C=CCC(=O)NCCCCCC WXVL_AK0286SB2732 [0,1,0,0,0,0|2,0,1]=4 75 B11R0.4 C=CCC(=O)NCCCCCC WXVL_AK0286SB2732 [0,1,0,0,0,0|2,0,1]=4 76 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [0,1,0,0,0,0|2,0,0]=3 77 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [0,1,0,0,0,0|2,0,0]=3 78 B11R0.4 CC#CC(=O)NCCCCCO WXVL_AK0077SB1240 [0,1,0,0,0,0|3,0,0]=4 79 B11R0.4 CC#CC(=O)NCCCCCO WXVL_AK0077SB1240 [0,1,0,0,0,0|3,0,0]=4 80 B11R0.4 CC#CC(=O)NCCCOCC WXVL_AK0072SB1240 [0,1,0,0,0,0|3,0,0]=4 81 B11R0.4 CC#CC(=O)NCCCOCC WXVL_AK0072SB1240 [0,1,0,0,0,0|3,0,0]=4 82 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [0,1,0,0,0,0|3,0,0]=4 83 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [0,1,0,0,0,0|3,0,0]=4 84 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,1,0,0,0,0|3,0,0]=4 85 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,1,0,0,0,0|3,0,0]=4 86 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,1,0,0,0,0|1,0,2]=4 87 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,1,0,0,0,0|1,0,2]=4 88 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,1,0,0,0,0|1,0,0]=2 89 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,1,0,0,0,0|1,0,0]=2 90 B11R0.4 CCCCCCNC(=O)CC#N WXVL_AK0286SB0057 [0,1,0,0,0,0|2,0,1]=4 91 B11R0.4 CCCCCCNC(=O)CC#N WXVL_AK0286SB0057 [0,1,0,0,0,0|2,0,1]=4 92 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,1,0,0,0,0|2,0,0]=3 93 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,1,0,0,0,0|2,0,0]=3 94 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,1,0,0,0,0|1,0,0]=2 95 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,1,0,0,0,0|1,0,0]=2 96 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,1,0,0,0,0|1,1,0]=3 97 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,1,0,0,0,0|1,1,0]=3 98 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,1,0,0,0,0|2,0,0]=3 99 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,1,0,0,0,0|2,0,0]=3 100 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,1,0,0,0,0|2,0,0]=3 101 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,1,0,0,0,0|2,0,0]=3 102 B11R0.4 CCOCCCNC(=O)CSC WXVL_AK0072SB1267 [0,1,0,0,0,0|2,1,0]=4 103 B11R0.4 CCOCCCNC(=O)CSC WXVL_AK0072SB1267 [0,1,0,0,0,0|2,1,0]=4 104 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,1,0,0,0,0|2,0,0]=3 105 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,1,0,0,0,0|2,0,0]=3 106 B11R0.4 COCC(=O)NCCNCCO WXVL_AK0954SB0090 [0,1,0,0,0,0|3,0,0]=4 107 B11R0.4 COCC(=O)NCCNCCO WXVL_AK0954SB0090 [0,1,0,0,0,0|3,0,0]=4 108 B11R0.4 CSCC(=O)NCCCCCO WXVL_AK0077SB1267 [0,1,0,0,0,0|2,1,0]=4 109 B11R0.4 CSCC(=O)NCCCCCO WXVL_AK0077SB1267 [0,1,0,0,0,0|2,1,0]=4 110 B11R0.40 C#CC(=O)NCCCCCCO WXVL_AK0751SB0338 [0,1,0,0,0,0|2,0,1]=4 111 B11R0.40 C#CC(=O)NCCCCCCO WXVL_AK0751SB0338 [0,1,0,0,0,0|2,0,1]=4 112 B11R0.40 C#CC(=O)NCCOCCCC WXVL_AK9674SB0338 [0,1,0,0,0,0|2,0,1]=4 113 B11R0.40 C#CC(=O)NCCOCCCC WXVL_AK9674SB0338 [0,1,0,0,0,0|2,0,1]=4 114 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,1,0,0,0,0|2,0,0]=3 115 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,1,0,0,0,0|2,0,0]=3 116 B11R0.40 CCC(=O)NCCOCCOC WXVL_AK2206SB0064 [0,1,0,0,0,0|3,0,0]=4 117 B11R0.40 CCC(=O)NCCOCCOC WXVL_AK2206SB0064 [0,1,0,0,0,0|3,0,0]=4 118 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [0,1,0,0,0,0|1,0,0]=2 119 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [0,1,0,0,0,0|1,0,0]=2 120 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,1,0,0,0,0|2,0,0]=3 121 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,1,0,0,0,0|2,0,0]=3 122 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [0,1,0,0,0,0|3,0,0]=4 123 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [0,1,0,0,0,0|3,0,0]=4 124 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [0,1,0,0,0,0|1,0,0]=2 125 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [0,1,0,0,0,0|1,0,0]=2 126 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [0,1,0,0,0,0|1,0,0]=2 127 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [0,1,0,0,0,0|1,0,0]=2 128 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [0,1,0,0,0,0|3,0,0]=4 129 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [0,1,0,0,0,0|3,0,0]=4 130 B11R0.42 C=C(F)C(=O)NCCCCCC WXVL_AK0286SB1376 [0,1,0,0,0,0|2,0,1]=4 131 B11R0.42 C=C(F)C(=O)NCCCCCC WXVL_AK0286SB1376 [0,1,0,0,0,0|2,0,1]=4 132 B11R0.42 CC(=O)C(=O)NCCCCCO WXVL_AK0077SB0051 [0,1,0,0,0,0|3,0,0]=4 133 B11R0.42 CC(=O)C(=O)NCCCCCO WXVL_AK0077SB0051 [0,1,0,0,0,0|3,0,0]=4 134 B11R0.42 CC(C)C(=O)NCCCCCO WXVL_AK0077SB0052 [0,1,0,0,0,0|3,0,0]=4 135 B11R0.42 CC(C)C(=O)NCCCCCO WXVL_AK0077SB0052 [0,1,0,0,0,0|3,0,0]=4 136 B11R0.42 CC(S)C(=O)NCCCCCO WXVL_AK0077SB2708 [0,1,0,0,0,0|3,0,0]=4 137 B11R0.42 CC(S)C(=O)NCCCCCO WXVL_AK0077SB2708 [0,1,0,0,0,0|3,0,0]=4 138 B11R0.42 CCCCC/C=C/C(=O)N(C)C WXVL_AN0032SB3331 [0,1,0,0,0,0|1,0,2]=4 139 B11R0.42 CCCCC/C=C/C(=O)N(C)C WXVL_AN0032SB3331 [0,1,0,0,0,0|1,0,2]=4 140 B11R0.42 CCCCCCCC(=O)N(C)C WXVL_AN0032SB0393 [0,1,0,0,0,0|1,0,0]=2 141 B11R0.42 CCCCCCCC(=O)N(C)C WXVL_AN0032SB0393 [0,1,0,0,0,0|1,0,0]=2 142 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [0,1,0,0,0,0|2,0,0]=3 143 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [0,1,0,0,0,0|2,0,0]=3 144 B11R0.42 CCCCCCNC(=O)C(=O)N WXVL_AK0286SB0128 [0,1,0,0,0,0|3,0,0]=4 145 B11R0.42 CCCCCCNC(=O)C(=O)N WXVL_AK0286SB0128 [0,1,0,0,0,0|3,0,0]=4 146 B11R0.42 CCCCCCNC(=O)C(C)C WXVL_AK0286SB0052 [0,1,0,0,0,0|2,0,0]=3 147 B11R0.42 CCCCCCNC(=O)C(C)C WXVL_AK0286SB0052 [0,1,0,0,0,0|2,0,0]=3 148 B11R0.42 CCCCCCNC(=O)C(C)S WXVL_AK0286SB2708 [0,1,0,0,0,0|2,0,0]=3 149 B11R0.42 CCCCCCNC(=O)C(C)S WXVL_AK0286SB2708 [0,1,0,0,0,0|2,0,0]=3 150 B11R0.42 CCCCCCNC(=O)C(F)F WXVL_AK0286SB0079 [0,1,0,0,0,0|3,0,0]=4 151 B11R0.42 CCCCCCNC(=O)C(F)F WXVL_AK0286SB0079 [0,1,0,0,0,0|3,0,0]=4 152 B11R0.42 CCCCCCNC(=O)[C@@H](C)O WXVL_AK0286SB1085 [0,1,0,0,0,0|2,0,0]=3 153 B11R0.42 CCCCCCNC(=O)[C@@H](C)O WXVL_AK0286SB1085 [0,1,0,0,0,0|2,0,0]=3 154 B11R0.42 CCOCCCNC(=O)C(=O)C WXVL_AK0072SB0051 [0,1,0,0,0,0|3,0,0]=4 155 B11R0.42 CCOCCCNC(=O)C(=O)C WXVL_AK0072SB0051 [0,1,0,0,0,0|3,0,0]=4 156 B11R0.42 CCOCCCNC(=O)C(C)C WXVL_AK0072SB0052 [0,1,0,0,0,0|3,0,0]=4 157 B11R0.42 CCOCCCNC(=O)C(C)C WXVL_AK0072SB0052 [0,1,0,0,0,0|3,0,0]=4 158 B11R0.42 CCOCCCNC(=O)C(C)S WXVL_AK0072SB2708 [0,1,0,0,0,0|3,0,0]=4 159 B11R0.42 CCOCCCNC(=O)C(C)S WXVL_AK0072SB2708 [0,1,0,0,0,0|3,0,0]=4 160 B11R0.42 CCOCCCNC(=O)[C@@H](C)O WXVL_AK0072SB1085 [0,1,0,0,0,0|3,0,0]=4 161 B11R0.42 CCOCCCNC(=O)[C@@H](C)O WXVL_AK0072SB1085 [0,1,0,0,0,0|3,0,0]=4 162 B11R0.42 CN(C)C(=O)CCCCCCBr WXVL_AN0032SB1386 [0,1,0,0,0,0|2,0,0]=3 163 B11R0.42 CN(C)C(=O)CCCCCCBr WXVL_AN0032SB1386 [0,1,0,0,0,0|2,0,0]=3 164 B11R0.42 C[C@@H](O)C(=O)NCCCCCO WXVL_AK0077SB1085 [0,1,0,0,0,0|3,0,0]=4 165 B11R0.42 C[C@@H](O)C(=O)NCCCCCO WXVL_AK0077SB1085 [0,1,0,0,0,0|3,0,0]=4 166 B11R0.49 CCCCCCNS(=O)(=O)CC WXVL_AK0286HU0028 [0,1,0,0,0,0|3,0,0]=4 167 B11R0.49 CCCCCCNS(=O)(=O)CC WXVL_AK0286HU0028 [0,1,0,0,0,0|3,0,0]=4 168 B11R0.70 CCCCC(C)CCC(=O)NC WXVL_AK00442SB1315 [0,1,0,0,0,0|1,0,0]=2 169 B11R0.70 CCCCC(C)CCC(=O)NC WXVL_AK00442SB1315 [0,1,0,0,0,0|1,0,0]=2 170 B11R0.70 CCCNC(=O)CCC(=O)OC WXVL_AK00504SB0069 [0,1,0,0,0,0|1,0,1]=3 171 B11R0.70 CCCNC(=O)CCC(=O)OC WXVL_AK00504SB0069 [0,1,0,0,0,0|1,0,1]=3 172 B11R0.70 COC(=O)CCC(=O)NCCF WXVL_AK00466SB0069 [0,1,0,0,0,0|2,0,1]=4 173 B11R0.70 COC(=O)CCC(=O)NCCF WXVL_AK00466SB0069 [0,1,0,0,0,0|2,0,1]=4 174 B11R0.106 CCC(=O)NCCCC(=O)OC WXVL_AK00444SB0064 [0,1,0,0,0,0|1,0,1]=3 175 B11R0.106 CCC(=O)NCCCC(=O)OC WXVL_AK00444SB0064 [0,1,0,0,0,0|1,0,1]=3 176 B11R0.106 CNC(=O)CCCCC(=O)OC WXVL_AK00442SB1209 [0,1,0,0,0,0|1,0,1]=3 177 B11R0.106 CNC(=O)CCCCC(=O)OC WXVL_AK00442SB1209 [0,1,0,0,0,0|1,0,1]=3 178 B11R0.106 COC(=O)CCCNC(=O)CO WXVL_AK00444SB2706 [0,1,0,0,0,0|2,0,1]=4 179 B11R0.106 COC(=O)CCCNC(=O)CO WXVL_AK00444SB2706 [0,1,0,0,0,0|2,0,1]=4 180 B11R0.111 CCC(=O)NCCCCN(C)C WXVL_AK0097SB0064 [0,1,0,0,0,0|3,0,0]=4 181 B11R0.111 CCC(=O)NCCCCN(C)C WXVL_AK0097SB0064 [0,1,0,0,0,0|3,0,0]=4 182 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [0,1,0,0,0,0|2,0,1]=4 183 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [0,1,0,0,0,0|2,0,1]=4 184 B11R0.154 CCCCNC(=O)CC(=O)OC WXVL_AK00588SB2790 [0,1,0,0,0,0|1,0,1]=3 185 B11R0.154 CCCCNC(=O)CC(=O)OC WXVL_AK00588SB2790 [0,1,0,0,0,0|1,0,1]=3 186 B11R0.154 COC(=O)CC(=O)NCCCO WXVL_AK0073SB2790 [0,1,0,0,0,0|2,0,1]=4 187 B11R0.154 COC(=O)CC(=O)NCCCO WXVL_AK0073SB2790 [0,1,0,0,0,0|2,0,1]=4 188 B11R0.154 COC(=O)CC(=O)NCCSC WXVL_AK00440SB2790 [0,1,0,0,0,0|2,0,1]=4 189 B11R0.154 COC(=O)CC(=O)NCCSC WXVL_AK00440SB2790 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.25 C#CC(=O)NCC1CCCC1 WXVL_AK0303SB0338 [0,0,0,1,0,0|2,0,1]=4 191 B11R1.25 C#CC(=O)NCC1CCCC1 WXVL_AK0303SB0338 [0,0,0,1,0,0|2,0,1]=4 192 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [0,0,0,1,0,0|2,0,0]=3 193 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [0,0,0,1,0,0|2,0,0]=3 194 B11R1.25 CCC(=O)NCC1CCOC1 WXVL_AK00634SB0064 [0,0,0,1,0,0|3,0,0]=4 195 B11R1.25 CCC(=O)NCC1CCOC1 WXVL_AK00634SB0064 [0,0,0,1,0,0|3,0,0]=4 196 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0064 [0,0,0,1,0,0|3,0,0]=4 197 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0064 [0,0,0,1,0,0|3,0,0]=4 198 B11R1.25 CCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0064 [0,0,0,1,0,0|3,0,0]=4 199 B11R1.25 CCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0064 [0,0,0,1,0,0|3,0,0]=4 200 B11R1.25 CNC(=O)/C=C/C1CCCC1 WXVL_AK00442SB5314 [0,0,0,1,0,0|1,0,2]=4 201 B11R1.25 CNC(=O)/C=C/C1CCCC1 WXVL_AK00442SB5314 [0,0,0,1,0,0|1,0,2]=4 202 B11R1.25 CNC(=O)CCC1CCCC1 WXVL_AK00442SB0045 [0,0,0,1,0,0|1,0,0]=2 203 B11R1.25 CNC(=O)CCC1CCCC1 WXVL_AK00442SB0045 [0,0,0,1,0,0|1,0,0]=2 204 B11R1.25 CNC(=O)CCN1CCCC1 WXVL_AK00442SB0766 [0,0,0,1,0,0|2,0,0]=3 205 B11R1.25 CNC(=O)CCN1CCCC1 WXVL_AK00442SB0766 [0,0,0,1,0,0|2,0,0]=3 206 B11R1.25 CNC(=O)COC1CCCC1 WXVL_AK00442SB0754 [0,0,0,1,0,0|2,0,0]=3 207 B11R1.25 CNC(=O)COC1CCCC1 WXVL_AK00442SB0754 [0,0,0,1,0,0|2,0,0]=3 208 B11R1.25 O=C(CO)NCC1CCCC1 WXVL_AK0303SB2706 [0,0,0,1,0,0|3,0,0]=4 209 B11R1.25 O=C(CO)NCC1CCCC1 WXVL_AK0303SB2706 [0,0,0,1,0,0|3,0,0]=4 210 B11R1.40 C#CC(=O)NC1CCCCC1 WXVL_AK00480SB0338 [0,0,0,1,0,0|2,0,1]=4 211 B11R1.40 C#CC(=O)NC1CCCCC1 WXVL_AK00480SB0338 [0,0,0,1,0,0|2,0,1]=4 212 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [0,0,0,1,0,0|2,0,0]=3 213 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [0,0,0,1,0,0|2,0,0]=3 214 B11R1.40 CCC(=O)NC1CCCOC1 WXVL_AK1073SB0064 [0,0,0,1,0,0|3,0,0]=4 215 B11R1.40 CCC(=O)NC1CCCOC1 WXVL_AK1073SB0064 [0,0,0,1,0,0|3,0,0]=4 216 B11R1.40 CNC(=O)CC1CCCCO1 WXVL_AK00442SB1464 [0,0,0,1,0,0|2,0,0]=3 217 B11R1.40 CNC(=O)CC1CCCCO1 WXVL_AK00442SB1464 [0,0,0,1,0,0|2,0,0]=3 218 B11R1.40 CNC(=O)CC1CCOCC1 WXVL_AK00442SB0194 [0,0,0,1,0,0|2,0,0]=3 219 B11R1.40 CNC(=O)CC1CCOCC1 WXVL_AK00442SB0194 [0,0,0,1,0,0|2,0,0]=3 220 B11R1.40 CNC(=O)CC1COCCO1 WXVL_AK00442SB2988 [0,0,0,1,0,0|3,0,0]=4 221 B11R1.40 CNC(=O)CC1COCCO1 WXVL_AK00442SB2988 [0,0,0,1,0,0|3,0,0]=4 222 B11R1.40 CNC(=O)CN1CCCCC1 WXVL_AK00442SB0186 [0,0,0,1,0,0|2,0,0]=3 223 B11R1.40 CNC(=O)CN1CCCCC1 WXVL_AK00442SB0186 [0,0,0,1,0,0|2,0,0]=3 224 B11R1.40 CNC(=O)CN1CCOCC1 WXVL_AK00442SB0188 [0,0,0,1,0,0|3,0,0]=4 225 B11R1.40 CNC(=O)CN1CCOCC1 WXVL_AK00442SB0188 [0,0,0,1,0,0|3,0,0]=4 226 B11R1.40 O=C(CO)NC1CCCCC1 WXVL_AK00480SB2706 [0,0,0,1,0,0|3,0,0]=4 227 B11R1.40 O=C(CO)NC1CCCCC1 WXVL_AK00480SB2706 [0,0,0,1,0,0|3,0,0]=4 228 B11R1.59 CCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0064 [0,0,0,1,0,0|3,0,0]=4 229 B11R1.222 C#CC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0338 [0,0,0,1,0,0|2,0,1]=4 230 B11R1.222 CCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0064 [0,0,0,1,0,0|2,0,0]=3 231 B11R1.222 CCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0064 [0,0,0,1,0,0|3,0,0]=4 232 B11R1.222 CCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0064 [0,0,0,1,0,0|3,0,0]=4 233 B11R1.222 CCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0064 [0,0,0,1,0,0|3,0,0]=4 234 B11R1.222 CNC(=O)[C@H]1CCCCN1C WXVL_AK00442SB4055 [0,0,0,1,0,0|2,0,0]=3 235 B11R1.222 CNC(=O)[C@H]1CCCCN1C WXVL_AK00442SB4055 [0,0,0,1,0,0|2,0,0]=3 236 B11R1.222 C[C@H]1CCCCN1C(=O)CO WXVL_AN00851SB2706 [0,0,0,1,0,0|3,0,0]=4 237 B11R1.236 C#CC(=O)NCCC1CCC1 WXVL_AK2418SB0338 [0,0,0,1,0,0|2,0,1]=4 238 B11R1.236 C#CC(=O)NCCC1CCC1 WXVL_AK2418SB0338 [0,0,0,1,0,0|2,0,1]=4 239 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [0,0,0,1,0,0|2,0,0]=3 240 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [0,0,0,1,0,0|2,0,0]=3 241 B11R1.236 O=C(CO)NCCC1CCC1 WXVL_AK2418SB2706 [0,0,0,1,0,0|3,0,0]=4 242 B11R1.236 O=C(CO)NCCC1CCC1 WXVL_AK2418SB2706 [0,0,0,1,0,0|3,0,0]=4 243 B11R1.852 CCC(=O)N1CCCOCC1 WXVL_AN00350SB0064 [0,0,0,1,0,0|3,0,0]=4 244 B11R1.852 CCC(=O)N1CCCOCC1 WXVL_AN00350SB0064 [0,0,0,1,0,0|3,0,0]=4 245 B11R1.852 CNC(=O)C1CCCCCC1 WXVL_AK00442SB0385 [0,0,0,1,0,0|1,0,0]=2 246 B11R1.852 CNC(=O)C1CCCCCC1 WXVL_AK00442SB0385 [0,0,0,1,0,0|1,0,0]=2 247 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [2,0,0,0,0,0|2,0,0]=4 248 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [2,0,0,0,0,0|2,0,0]=4 249 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [2,0,0,0,0,0|1,0,0]=3 250 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [2,0,0,0,0,0|1,0,0]=3 251 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [2,0,0,0,0,0|2,0,0]=4 252 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [2,0,0,0,0,0|2,0,0]=4 253 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [2,0,0,0,0,0|2,0,0]=4 254 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [2,0,0,0,0,0|2,0,0]=4 255 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [2,0,0,0,0,0|2,0,0]=4 256 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [2,0,0,0,0,0|2,0,0]=4 257 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [2,0,0,0,0,0|2,0,0]=4 258 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [2,0,0,0,0,0|2,0,0]=4 259 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [2,0,0,0,0,0|2,0,0]=4 260 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [2,0,0,0,0,0|2,0,0]=4 261 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [2,0,0,0,0,0|2,0,0]=4 262 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [2,0,0,0,0,0|2,0,0]=4 263 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [2,0,0,0,0,0|2,0,0]=4 264 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [2,0,0,0,0,0|2,0,0]=4 265 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [2,0,0,0,0,0|2,0,0]=4 266 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [2,0,0,0,0,0|2,0,0]=4 267 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [1,1,0,0,0,0|1,0,0]=3 268 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [1,1,0,0,0,0|1,0,0]=3 269 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [1,1,0,0,0,0|1,0,0]=3 270 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [1,1,0,0,0,0|1,0,0]=3 271 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [1,1,0,0,0,0|1,0,0]=3 272 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [1,1,0,0,0,0|1,0,0]=3 273 B10R0.4 COCCOCCNC(=O)C WXVL_AK2206SB0150 [1,1,0,0,0,0|2,0,0]=4 274 B10R0.4 COCCOCCNC(=O)C WXVL_AK2206SB0150 [1,1,0,0,0,0|2,0,0]=4 275 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [1,1,0,0,0,0|1,0,0]=3 276 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [1,1,0,0,0,0|1,0,0]=3 277 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [1,1,0,0,0,0|1,0,0]=3 278 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [1,1,0,0,0,0|1,0,0]=3 279 B10R0.75 CCCCCNC(=O)C(=O)C WXVL_AK0076SB0051 [1,1,0,0,0,0|1,0,1]=4 280 B10R0.75 CCCCCNC(=O)C(=O)C WXVL_AK0076SB0051 [1,1,0,0,0,0|1,0,1]=4 281 B10R0.78 CCCCC(C)CCC(=O)N WXVL_AK0084SB1315 [1,1,0,0,0,0|1,0,0]=3 282 B10R0.78 CCCCC(C)CCC(=O)N WXVL_AK0084SB1315 [1,1,0,0,0,0|1,0,0]=3 283 B10R0.78 CCCNC(=O)CCC(=O)C WXVL_AK00504SB0072 [1,1,0,0,0,0|1,0,1]=4 284 B10R0.78 CCCNC(=O)CCC(=O)C WXVL_AK00504SB0072 [1,1,0,0,0,0|1,0,1]=4 285 B10R0.97 CC(=O)NCCCCN(C)C WXVL_AK0097SB0150 [1,1,0,0,0,0|2,0,0]=4 286 B10R0.97 CC(=O)NCCCCN(C)C WXVL_AK0097SB0150 [1,1,0,0,0,0|2,0,0]=4 287 B10R0.18 CCCNC(=O)CC(=O)OC WXVL_AK00504SB2790 [1,1,0,0,0,0|1,0,1]=4 288 B10R0.18 CCCNC(=O)CC(=O)OC WXVL_AK00504SB2790 [1,1,0,0,0,0|1,0,1]=4 289 B10R0.83 CCCCCC(C)C(=O)NC WXVL_AK00442SB0394 [1,1,0,0,0,0|1,0,0]=3 290 B10R0.83 CCCCCC(C)C(=O)NC WXVL_AK00442SB0394 [1,1,0,0,0,0|1,0,0]=3 291 B10R0.108 CCNC(=O)CCC(=O)OC WXVL_AK00476SB0069 [1,1,0,0,0,0|1,0,1]=4 292 B10R0.108 CCNC(=O)CCC(=O)OC WXVL_AK00476SB0069 [1,1,0,0,0,0|1,0,1]=4 293 B12R0.1 C/C=C/C(=O)NCCCCCCO WXVL_AK0751SB0340 [0,2,0,0,0,0|2,0,0]=4 294 B12R0.1 C/C=C/C(=O)NCCCCCCO WXVL_AK0751SB0340 [0,2,0,0,0,0|2,0,0]=4 295 B12R0.1 C/C=C/C(=O)NCCOCCCC WXVL_AK9674SB0340 [0,2,0,0,0,0|2,0,0]=4 296 B12R0.1 C/C=C/C(=O)NCCOCCCC WXVL_AK9674SB0340 [0,2,0,0,0,0|2,0,0]=4 297 B12R0.1 CC#CC(=O)NCCCCCCO WXVL_AK0751SB1240 [0,2,0,0,0,0|2,0,0]=4 298 B12R0.1 CC#CC(=O)NCCCCCCO WXVL_AK0751SB1240 [0,2,0,0,0,0|2,0,0]=4 299 B12R0.1 CC#CC(=O)NCCOCCCC WXVL_AK9674SB1240 [0,2,0,0,0,0|2,0,0]=4 300 B12R0.1 CC#CC(=O)NCCOCCCC WXVL_AK9674SB1240 [0,2,0,0,0,0|2,0,0]=4 301 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,2,0,0,0,0|2,0,0]=4 302 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,2,0,0,0,0|2,0,0]=4 303 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,2,0,0,0,0|1,0,0]=3 304 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,2,0,0,0,0|1,0,0]=3 305 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,2,0,0,0,0|2,0,0]=4 306 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,2,0,0,0,0|2,0,0]=4 307 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,2,0,0,0,0|1,0,0]=3 308 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,2,0,0,0,0|1,0,0]=3 309 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,2,0,0,0,0|1,1,0]=4 310 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,2,0,0,0,0|1,1,0]=4 311 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,2,0,0,0,0|1,0,0]=3 312 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,2,0,0,0,0|1,0,0]=3 313 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,2,0,0,0,0|1,0,0]=3 314 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,2,0,0,0,0|1,0,0]=3 315 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,2,0,0,0,0|1,0,0]=3 316 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,2,0,0,0,0|1,0,0]=3 317 B12R0.1 COCCOCCNC(=O)COC WXVL_AK2206SB0090 [0,2,0,0,0,0|2,0,0]=4 318 B12R0.1 COCCOCCNC(=O)COC WXVL_AK2206SB0090 [0,2,0,0,0,0|2,0,0]=4 319 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,2,0,0,0,0|1,1,0]=4 320 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,2,0,0,0,0|1,1,0]=4 321 B12R0.4 CC(C)NC(=O)CCCCCCBr WXVL_AK0030SB1386 [0,2,0,0,0,0|2,0,0]=4 322 B12R0.4 CC(C)NC(=O)CCCCCCBr WXVL_AK0030SB1386 [0,2,0,0,0,0|2,0,0]=4 323 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [0,2,0,0,0,0|1,0,0]=3 324 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [0,2,0,0,0,0|1,0,0]=3 325 B12R0.4 CCCCCCNC(=O)C=C(C)C WXVL_AK0286SB0342 [0,2,0,0,0,0|2,0,0]=4 326 B12R0.4 CCCCCCNC(=O)C=C(C)C WXVL_AK0286SB0342 [0,2,0,0,0,0|2,0,0]=4 327 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [0,2,0,0,0,0|2,0,0]=4 328 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [0,2,0,0,0,0|2,0,0]=4 329 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [0,2,0,0,0,0|2,0,0]=4 330 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [0,2,0,0,0,0|2,0,0]=4 331 B12R0.4 CCCCCCNC(=O)CN(C)C WXVL_AK0286SB0085 [0,2,0,0,0,0|2,0,0]=4 332 B12R0.4 CCCCCCNC(=O)CN(C)C WXVL_AK0286SB0085 [0,2,0,0,0,0|2,0,0]=4 333 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC WXVL_AK0286SB0343 [0,2,0,0,0,0|2,0,0]=4 334 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC WXVL_AK0286SB0343 [0,2,0,0,0,0|2,0,0]=4 335 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,2,0,0,0,0|1,0,1]=4 336 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,2,0,0,0,0|1,0,1]=4 337 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [0,2,0,0,0,0|2,0,0]=4 338 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [0,2,0,0,0,0|2,0,0]=4 339 B12R0.49 CCCCCCNC(=O)[C@@H](C)OC WXVL_AK0286SB2926 [0,2,0,0,0,0|1,0,0]=3 340 B12R0.49 CCCCCCNC(=O)[C@@H](C)OC WXVL_AK0286SB2926 [0,2,0,0,0,0|1,0,0]=3 341 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [0,2,0,0,0,0|2,0,0]=4 342 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [0,2,0,0,0,0|2,0,0]=4 343 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [0,2,0,0,0,0|2,0,0]=4 344 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [0,2,0,0,0,0|2,0,0]=4 345 B12R0.49 CCOCCCNC(=O)[C@@H](C)OC WXVL_AK0072SB2926 [0,2,0,0,0,0|2,0,0]=4 346 B12R0.49 CCOCCCNC(=O)[C@@H](C)OC WXVL_AK0072SB2926 [0,2,0,0,0,0|2,0,0]=4 347 B12R0.49 CO[C@H](C)C(=O)NCCCCCO WXVL_AK0077SB2926 [0,2,0,0,0,0|2,0,0]=4 348 B12R0.49 CO[C@H](C)C(=O)NCCCCCO WXVL_AK0077SB2926 [0,2,0,0,0,0|2,0,0]=4 349 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [0,2,0,0,0,0|1,0,0]=3 350 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [0,2,0,0,0,0|1,0,0]=3 351 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [0,2,0,0,0,0|1,0,1]=4 352 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [0,2,0,0,0,0|1,0,1]=4 353 B12R0.206 C#CCCC(=O)NCCCCCC WXVL_AK0286SB2189 [0,2,0,0,0,0|2,0,0]=4 354 B12R0.206 C#CCCC(=O)NCCCCCC WXVL_AK0286SB2189 [0,2,0,0,0,0|2,0,0]=4 355 B12R0.206 C=CCCC(=O)NCCCCCC WXVL_AK0286SB1035 [0,2,0,0,0,0|2,0,0]=4 356 B12R0.206 C=CCCC(=O)NCCCCCC WXVL_AK0286SB1035 [0,2,0,0,0,0|2,0,0]=4 357 B12R0.206 C=CCNC(=O)CCCCCCBr WXVL_AK00561SB1386 [0,2,0,0,0,0|2,0,0]=4 358 B12R0.206 C=CCNC(=O)CCCCCCBr WXVL_AK00561SB1386 [0,2,0,0,0,0|2,0,0]=4 359 B12R0.206 C=CCNC(=O)CCCCCCC WXVL_AK00561SB0393 [0,2,0,0,0,0|1,0,0]=3 360 B12R0.206 C=CCNC(=O)CCCCCCC WXVL_AK00561SB0393 [0,2,0,0,0,0|1,0,0]=3 361 B12R0.206 CCCCCCCC(=O)NCC#N WXVL_AK0683SB0393 [0,2,0,0,0,0|1,0,0]=3 362 B12R0.206 CCCCCCCC(=O)NCC#N WXVL_AK0683SB0393 [0,2,0,0,0,0|1,0,0]=3 363 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,2,0,0,0,0|1,0,0]=3 364 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,2,0,0,0,0|1,0,0]=3 365 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [0,2,0,0,0,0|1,0,0]=3 366 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [0,2,0,0,0,0|1,0,0]=3 367 B12R0.206 CCCCCCNC(=O)/C=C/CBr WXVL_AK0286SB0424 [0,2,0,0,0,0|2,0,0]=4 368 B12R0.206 CCCCCCNC(=O)/C=C/CBr WXVL_AK0286SB0424 [0,2,0,0,0,0|2,0,0]=4 369 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,2,0,0,0,0|1,0,0]=3 370 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,2,0,0,0,0|1,0,0]=3 371 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,2,0,0,0,0|1,1,0]=4 372 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,2,0,0,0,0|1,1,0]=4 373 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,2,0,0,0,0|1,0,0]=3 374 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,2,0,0,0,0|1,0,0]=3 375 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [0,2,0,0,0,0|1,1,0]=4 376 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [0,2,0,0,0,0|1,1,0]=4 377 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [0,2,0,0,0,0|2,0,0]=4 378 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [0,2,0,0,0,0|2,0,0]=4 379 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [0,2,0,0,0,0|2,0,0]=4 380 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [0,2,0,0,0,0|2,0,0]=4 381 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [0,2,0,0,0,0|2,0,0]=4 382 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [0,2,0,0,0,0|2,0,0]=4 383 B12R0.206 CCOCCCNC(=O)CCOC WXVL_AK0072SB0156 [0,2,0,0,0,0|2,0,0]=4 384 B12R0.206 CCOCCCNC(=O)CCOC WXVL_AK0072SB0156 [0,2,0,0,0,0|2,0,0]=4 385 B12R0.206 CCOCCCNC(=O)COCC WXVL_AK0072SB0091 [0,2,0,0,0,0|2,0,0]=4 386 B12R0.206 CCOCCCNC(=O)COCC WXVL_AK0072SB0091 [0,2,0,0,0,0|2,0,0]=4 387 B12R0.206 COCCC(=O)NCCCCCO WXVL_AK0077SB0156 [0,2,0,0,0,0|2,0,0]=4 388 B12R0.206 COCCC(=O)NCCCCCO WXVL_AK0077SB0156 [0,2,0,0,0,0|2,0,0]=4 389 B12R0.206 N#CCNC(=O)CCCCCCBr WXVL_AK0683SB1386 [0,2,0,0,0,0|2,0,0]=4 390 B12R0.206 N#CCNC(=O)CCCCCCBr WXVL_AK0683SB1386 [0,2,0,0,0,0|2,0,0]=4 391 B12R0.206 O=C(CCCCCCBr)NCCF WXVL_AK00466SB1386 [0,2,0,0,0,0|2,0,0]=4 392 B12R0.206 O=C(CCCCCCBr)NCCF WXVL_AK00466SB1386 [0,2,0,0,0,0|2,0,0]=4 393 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,2,0,0,0,0|1,0,1]=4 394 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,2,0,0,0,0|1,0,1]=4 395 B12R0.276 CCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0073 [0,2,0,0,0,0|0,0,1]=3 396 B12R0.276 CCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0073 [0,2,0,0,0,0|0,0,1]=3 397 B12R0.276 CCNC(=O)CCCCC(=O)OC WXVL_AK00476SB1209 [0,2,0,0,0,0|0,0,1]=3 398 B12R0.276 CCNC(=O)CCCCC(=O)OC WXVL_AK00476SB1209 [0,2,0,0,0,0|0,0,1]=3 399 B12R0.276 COC(=O)CCCNC(=O)CSC WXVL_AK00444SB1267 [0,2,0,0,0,0|1,0,1]=4 400 B12R0.276 COC(=O)CCCNC(=O)CSC WXVL_AK00444SB1267 [0,2,0,0,0,0|1,0,1]=4 401 B12R0.276 COCC(=O)NCCCC(=O)OC WXVL_AK00444SB0090 [0,2,0,0,0,0|1,0,1]=4 402 B12R0.276 COCC(=O)NCCCC(=O)OC WXVL_AK00444SB0090 [0,2,0,0,0,0|1,0,1]=4 403 B12R0.277 COCC(=O)NCCCCN(C)C WXVL_AK0097SB0090 [0,2,0,0,0,0|2,0,0]=4 404 B12R0.277 COCC(=O)NCCCCN(C)C WXVL_AK0097SB0090 [0,2,0,0,0,0|2,0,0]=4 405 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,2,0,0,0,0|1,0,1]=4 406 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,2,0,0,0,0|1,0,1]=4 407 B12R0.113 CCCCCNC(=O)CC(=O)OC WXVL_AK0076SB2790 [0,2,0,0,0,0|0,0,1]=3 408 B12R0.113 CCCCCNC(=O)CC(=O)OC WXVL_AK0076SB2790 [0,2,0,0,0,0|0,0,1]=3 409 B12R0.113 CCSCCNC(=O)CC(=O)OC WXVL_AK00494SB2790 [0,2,0,0,0,0|1,0,1]=4 410 B12R0.113 CCSCCNC(=O)CC(=O)OC WXVL_AK00494SB2790 [0,2,0,0,0,0|1,0,1]=4 411 B12R0.113 COC(=O)CC(=O)NCCCCO WXVL_AK0075SB2790 [0,2,0,0,0,0|1,0,1]=4 412 B12R0.113 COC(=O)CC(=O)NCCCCO WXVL_AK0075SB2790 [0,2,0,0,0,0|1,0,1]=4 413 B12R0.113 COC(=O)CC(=O)NCCCSC WXVL_AK0965SB2790 [0,2,0,0,0,0|1,0,1]=4 414 B12R0.113 COC(=O)CC(=O)NCCCSC WXVL_AK0965SB2790 [0,2,0,0,0,0|1,0,1]=4 415 B12R0.113 COCCCNC(=O)CC(=O)OC WXVL_AK00637SB2790 [0,2,0,0,0,0|1,0,1]=4 416 B12R0.113 COCCCNC(=O)CC(=O)OC WXVL_AK00637SB2790 [0,2,0,0,0,0|1,0,1]=4 417 B12R0.142 CCCCNC(=O)CCC(=O)OC WXVL_AK00588SB0069 [0,2,0,0,0,0|0,0,1]=3 418 B12R0.142 CCCCNC(=O)CCC(=O)OC WXVL_AK00588SB0069 [0,2,0,0,0,0|0,0,1]=3 419 B12R0.142 COC(=O)CCC(=O)NCCCO WXVL_AK0073SB0069 [0,2,0,0,0,0|1,0,1]=4 420 B12R0.142 COC(=O)CCC(=O)NCCCO WXVL_AK0073SB0069 [0,2,0,0,0,0|1,0,1]=4 421 B12R0.142 COC(=O)CCC(=O)NCCSC WXVL_AK00440SB0069 [0,2,0,0,0,0|1,0,1]=4 422 B12R0.142 COC(=O)CCC(=O)NCCSC WXVL_AK00440SB0069 [0,2,0,0,0,0|1,0,1]=4 423 B12R0.184 CCC(=O)NCCCCCN(C)C WXVL_AK0956SB0064 [0,2,0,0,0,0|2,0,0]=4 424 B12R0.184 CCC(=O)NCCCCCN(C)C WXVL_AK0956SB0064 [0,2,0,0,0,0|2,0,0]=4 425 B12R0.184 COC(=O)CCCCCCC(=O)N WXVL_AK0084SB3124 [0,2,0,0,0,0|0,0,1]=3 426 B12R0.184 COC(=O)CCCCCCC(=O)N WXVL_AK0084SB3124 [0,2,0,0,0,0|0,0,1]=3 427 B12R0.184 COC(=O)CCCCCNC(=O)C WXVL_AK00438SB0150 [0,2,0,0,0,0|0,0,1]=3 428 B12R0.184 COC(=O)CCCCCNC(=O)C WXVL_AK00438SB0150 [0,2,0,0,0,0|0,0,1]=3 429 B12R0.248 C#CC(=O)NCCCCCCCC WXVL_AK1818SB0338 [0,2,0,0,0,0|1,0,1]=4 430 B12R0.248 C#CC(=O)NCCCCCCCC WXVL_AK1818SB0338 [0,2,0,0,0,0|1,0,1]=4 431 B12R0.248 C#CC(=O)NCCCOCCCC WXVL_AK2310SB0338 [0,2,0,0,0,0|1,0,1]=4 432 B12R0.248 C#CC(=O)NCCCOCCCC WXVL_AK2310SB0338 [0,2,0,0,0,0|1,0,1]=4 433 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,2,0,0,0,0|1,0,0]=3 434 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,2,0,0,0,0|1,0,0]=3 435 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,2,0,0,0,0|1,0,0]=3 436 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,2,0,0,0,0|1,0,0]=3 437 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [0,2,0,0,0,0|2,0,0]=4 438 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [0,2,0,0,0,0|2,0,0]=4 439 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,2,0,0,0,0|1,0,0]=3 440 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,2,0,0,0,0|1,0,0]=3 441 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [0,2,0,0,0,0|1,0,0]=3 442 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [0,2,0,0,0,0|1,0,0]=3 443 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [0,2,0,0,0,0|2,0,0]=4 444 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [0,2,0,0,0,0|2,0,0]=4 445 B12R0.251 CC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0051 [0,2,0,0,0,0|2,0,0]=4 446 B12R0.251 CC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0051 [0,2,0,0,0,0|2,0,0]=4 447 B12R0.251 CC(C)C(=O)NCCCCCCO WXVL_AK0751SB0052 [0,2,0,0,0,0|2,0,0]=4 448 B12R0.251 CC(C)C(=O)NCCCCCCO WXVL_AK0751SB0052 [0,2,0,0,0,0|2,0,0]=4 449 B12R0.251 CC(S)C(=O)NCCCCCCO WXVL_AK0751SB2708 [0,2,0,0,0,0|2,0,0]=4 450 B12R0.251 CC(S)C(=O)NCCCCCCO WXVL_AK0751SB2708 [0,2,0,0,0,0|2,0,0]=4 451 B12R0.251 CCCCCCCCC(=O)N(C)C WXVL_AN0032SB0409 [0,2,0,0,0,0|1,0,0]=3 452 B12R0.251 CCCCCCCCC(=O)N(C)C WXVL_AN0032SB0409 [0,2,0,0,0,0|1,0,0]=3 453 B12R0.251 CCCCOCCNC(=O)C(=O)C WXVL_AK9674SB0051 [0,2,0,0,0,0|2,0,0]=4 454 B12R0.251 CCCCOCCNC(=O)C(=O)C WXVL_AK9674SB0051 [0,2,0,0,0,0|2,0,0]=4 455 B12R0.251 CCCCOCCNC(=O)C(C)C WXVL_AK9674SB0052 [0,2,0,0,0,0|2,0,0]=4 456 B12R0.251 CCCCOCCNC(=O)C(C)C WXVL_AK9674SB0052 [0,2,0,0,0,0|2,0,0]=4 457 B12R0.251 CCCCOCCNC(=O)C(C)S WXVL_AK9674SB2708 [0,2,0,0,0,0|2,0,0]=4 458 B12R0.251 CCCCOCCNC(=O)C(C)S WXVL_AK9674SB2708 [0,2,0,0,0,0|2,0,0]=4 459 B12R0.251 CCCCOCCNC(=O)[C@@H](C)O WXVL_AK9674SB1085 [0,2,0,0,0,0|2,0,0]=4 460 B12R0.251 CCCCOCCNC(=O)[C@@H](C)O WXVL_AK9674SB1085 [0,2,0,0,0,0|2,0,0]=4 461 B12R0.251 CN(C)C(=O)CCCCCCCBr WXVL_AN0032SB0559 [0,2,0,0,0,0|1,0,0]=3 462 B12R0.251 CN(C)C(=O)CCCCCCCBr WXVL_AN0032SB0559 [0,2,0,0,0,0|1,0,0]=3 463 B12R0.251 CN(C)C(=O)CCCCCCCO WXVL_AN0032SB1306 [0,2,0,0,0,0|1,0,0]=3 464 B12R0.251 CN(C)C(=O)CCCCCCCO WXVL_AN0032SB1306 [0,2,0,0,0,0|1,0,0]=3 465 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO WXVL_AK0751SB1085 [0,2,0,0,0,0|2,0,0]=4 466 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO WXVL_AK0751SB1085 [0,2,0,0,0,0|2,0,0]=4 467 B12R0.312 CCCCCCCCS(=O)(=O)NC WXVL_AK00442HU0331 [0,2,0,0,0,0|2,0,0]=4 468 B12R0.312 CCCCCCCCS(=O)(=O)NC WXVL_AK00442HU0331 [0,2,0,0,0,0|2,0,0]=4 469 B12R0.48 CCCCC(C)CCC(=O)N(C)C WXVL_AN0032SB1315 [0,2,0,0,0,0|1,0,0]=3 470 B12R0.48 CCCCC(C)CCC(=O)N(C)C WXVL_AN0032SB1315 [0,2,0,0,0,0|1,0,0]=3 471 B12R0.186 COC(=O)CCCCC(=O)N(C)C WXVL_AN0032SB1209 [0,2,0,0,0,0|1,0,1]=4 472 B12R0.186 COC(=O)CCCCC(=O)N(C)C WXVL_AN0032SB1209 [0,2,0,0,0,0|1,0,1]=4 473 B12R0.186 COC(=O)CCCNC(=O)C(C)C WXVL_AK00444SB0052 [0,2,0,0,0,0|1,0,1]=4 474 B12R0.186 COC(=O)CCCNC(=O)C(C)C WXVL_AK00444SB0052 [0,2,0,0,0,0|1,0,1]=4 475 B12R0.186 COC(=O)CCCNC(=O)C(C)S WXVL_AK00444SB2708 [0,2,0,0,0,0|1,0,1]=4 476 B12R0.186 COC(=O)CCCNC(=O)C(C)S WXVL_AK00444SB2708 [0,2,0,0,0,0|1,0,1]=4 477 B12R0.186 COC(=O)CCCNC(=O)[C@@H](C)O WXVL_AK00444SB1085 [0,2,0,0,0,0|1,0,1]=4 478 B12R0.186 COC(=O)CCCNC(=O)[C@@H](C)O WXVL_AK00444SB1085 [0,2,0,0,0,0|1,0,1]=4 479 B12R0.237 CCCCCCNC(=O)C(C)(C)Br WXVL_AK0286SB0432 [0,2,0,0,0,0|2,0,0]=4 480 B12R0.237 CCCCCCNC(=O)C(C)(C)Br WXVL_AK0286SB0432 [0,2,0,0,0,0|2,0,0]=4 481 B12R0.237 CCCCCCNC(=O)C(C)(C)C WXVL_AK0286SB0078 [0,2,0,0,0,0|2,0,0]=4 482 B12R0.237 CCCCCCNC(=O)C(C)(C)C WXVL_AK0286SB0078 [0,2,0,0,0,0|2,0,0]=4 483 B12R0.237 CCCCCCNC(=O)C(C)(C)F WXVL_AK0286SB0199 [0,2,0,0,0,0|2,0,0]=4 484 B12R0.237 CCCCCCNC(=O)C(C)(C)F WXVL_AK0286SB0199 [0,2,0,0,0,0|2,0,0]=4 485 B12R0.237 CCCCCCNC(=O)C(C)(C)O WXVL_AK0286SB0125 [0,2,0,0,0,0|2,0,0]=4 486 B12R0.237 CCCCCCNC(=O)C(C)(C)O WXVL_AK0286SB0125 [0,2,0,0,0,0|2,0,0]=4 487 B12R0.237 CCCCCCNC(=O)C(C)(F)F WXVL_AK0286SB0197 [0,2,0,0,0,0|2,0,0]=4 488 B12R0.237 CCCCCCNC(=O)C(C)(F)F WXVL_AK0286SB0197 [0,2,0,0,0,0|2,0,0]=4 489 B12R0.131 CCS(=O)(=O)NCCCC(=O)OC WXVL_AK00444HU0028 [0,2,0,0,0,0|2,0,0]=4 490 B12R0.131 CCS(=O)(=O)NCCCC(=O)OC WXVL_AK00444HU0028 [0,2,0,0,0,0|2,0,0]=4 491 B12R0.147 CC[C@H](C)NC(=O)CCC(=O)OC WXVL_AK00678SB0069 [0,2,0,0,0,0|1,0,1]=4 492 B12R0.147 CC[C@H](C)NC(=O)CCC(=O)OC WXVL_AK00678SB0069 [0,2,0,0,0,0|1,0,1]=4 493 B12R0.189 COC(=O)CCC(=O)NCC(C)C WXVL_AK00544SB0069 [0,2,0,0,0,0|1,0,1]=4 494 B12R0.189 COC(=O)CCC(=O)NCC(C)C WXVL_AK00544SB0069 [0,2,0,0,0,0|1,0,1]=4 495 B12R0.189 COC(=O)CCC(=O)NCC(C)O WXVL_AK0052SB0069 [0,2,0,0,0,0|1,0,1]=4 496 B12R0.189 COC(=O)CCC(=O)NCC(C)O WXVL_AK0052SB0069 [0,2,0,0,0,0|1,0,1]=4 497 B12R0.189 COC(=O)CCC(=O)NC[C@H](C)O WXVL_AK0113SB0069 [0,2,0,0,0,0|1,0,1]=4 498 B12R0.189 COC(=O)CCC(=O)NC[C@H](C)O WXVL_AK0113SB0069 [0,2,0,0,0,0|1,0,1]=4 499 B12R0.328 CCCNS(=O)(=O)CCC(=O)OC WXVL_AK00504HU0340 [0,2,0,0,0,0|2,0,0]=4 500 B12R0.328 CCCNS(=O)(=O)CCC(=O)OC WXVL_AK00504HU0340 [0,2,0,0,0,0|2,0,0]=4 501 B12R0.240 CCC(=O)NC(C)CCCC(C)C WXVL_AK00574SB0064 [0,2,0,0,0,0|2,0,0]=4 502 B12R0.240 CCC(=O)NC(C)CCCC(C)C WXVL_AK00574SB0064 [0,2,0,0,0,0|2,0,0]=4 503 B12R0.240 COC(=O)CC(=O)NCCC(C)C WXVL_AK0068SB2790 [0,2,0,0,0,0|1,0,1]=4 504 B12R0.240 COC(=O)CC(=O)NCCC(C)C WXVL_AK0068SB2790 [0,2,0,0,0,0|1,0,1]=4 505 B12R0.110 CCCCNC(=O)C(C)C(=O)OC WXVL_AK00588SB5708 [0,2,0,0,0,0|1,0,1]=4 506 B12R0.110 CCCCNC(=O)C(C)C(=O)OC WXVL_AK00588SB5708 [0,2,0,0,0,0|1,0,1]=4 507 B12R0.68 CCCC(=O)NC(C)CC(=O)OC WXVL_AK4097SB0073 [0,2,0,0,0,0|1,0,1]=4 508 B12R0.68 CCCC(=O)NC(C)CC(=O)OC WXVL_AK4097SB0073 [0,2,0,0,0,0|1,0,1]=4 509 B12R0.68 CCCC(=O)N[C@H](C)CC(=O)OC WXVL_AK5300SB0073 [0,2,0,0,0,0|1,0,1]=4 510 B12R0.68 CCCC(=O)N[C@H](C)CC(=O)OC WXVL_AK5300SB0073 [0,2,0,0,0,0|1,0,1]=4 511 B12R0.68 CCC[C@H](C)NC(=O)CC(=O)OC WXVL_AK00682SB2790 [0,2,0,0,0,0|1,0,1]=4 512 B12R0.68 CCC[C@H](C)NC(=O)CC(=O)OC WXVL_AK00682SB2790 [0,2,0,0,0,0|1,0,1]=4 513 B12R0.657 CCCCNS(=O)(=O)CC(=O)OC WXVL_AK00588HU0075 [0,2,0,0,0,0|2,0,0]=4 514 B12R0.657 CCCCNS(=O)(=O)CC(=O)OC WXVL_AK00588HU0075 [0,2,0,0,0,0|2,0,0]=4 515 B10R1.18 CC(=O)NC1CCCCC1 WXVL_AK00480SB0150 [1,0,0,1,0,0|1,0,0]=3 516 B10R1.18 CC(=O)NC1CCCCC1 WXVL_AK00480SB0150 [1,0,0,1,0,0|1,0,0]=3 517 B10R1.18 CC(=O)NC1CCCOC1 WXVL_AK1073SB0150 [1,0,0,1,0,0|2,0,0]=4 518 B10R1.18 CC(=O)NC1CCCOC1 WXVL_AK1073SB0150 [1,0,0,1,0,0|2,0,0]=4 519 B10R1.18 NC(=O)CC1CCCCO1 WXVL_AK0084SB1464 [1,0,0,1,0,0|2,0,0]=4 520 B10R1.18 NC(=O)CC1CCCCO1 WXVL_AK0084SB1464 [1,0,0,1,0,0|2,0,0]=4 521 B10R1.18 NC(=O)CC1CCOCC1 WXVL_AK0084SB0194 [1,0,0,1,0,0|2,0,0]=4 522 B10R1.18 NC(=O)CC1CCOCC1 WXVL_AK0084SB0194 [1,0,0,1,0,0|2,0,0]=4 523 B10R1.18 NC(=O)CN1CCCCC1 WXVL_AK0084SB0186 [1,0,0,1,0,0|2,0,0]=4 524 B10R1.18 NC(=O)CN1CCCCC1 WXVL_AK0084SB0186 [1,0,0,1,0,0|2,0,0]=4 525 B10R1.39 CC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0150 [1,0,0,1,0,0|2,0,0]=4 526 B10R1.61 CC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0150 [1,0,0,1,0,0|1,0,0]=3 527 B10R1.61 CC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0150 [1,0,0,1,0,0|2,0,0]=4 528 B10R1.61 CC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0150 [1,0,0,1,0,0|2,0,0]=4 529 B10R1.61 CC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0150 [1,0,0,1,0,0|2,0,0]=4 530 B10R1.61 CN1CCCC[C@@H]1C(=O)N WXVL_AK0084SB4055 [1,0,0,1,0,0|2,0,0]=4 531 B10R1.61 CN1CCCC[C@@H]1C(=O)N WXVL_AK0084SB4055 [1,0,0,1,0,0|2,0,0]=4 532 B10R1.66 CC(=O)NCC1CCCC1 WXVL_AK0303SB0150 [1,0,0,1,0,0|1,0,0]=3 533 B10R1.66 CC(=O)NCC1CCCC1 WXVL_AK0303SB0150 [1,0,0,1,0,0|1,0,0]=3 534 B10R1.66 CC(=O)NCC1CCOC1 WXVL_AK00634SB0150 [1,0,0,1,0,0|2,0,0]=4 535 B10R1.66 CC(=O)NCC1CCOC1 WXVL_AK00634SB0150 [1,0,0,1,0,0|2,0,0]=4 536 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [1,0,0,1,0,0|2,0,0]=4 537 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [1,0,0,1,0,0|2,0,0]=4 538 B10R1.66 CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0150 [1,0,0,1,0,0|2,0,0]=4 539 B10R1.66 CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0150 [1,0,0,1,0,0|2,0,0]=4 540 B10R1.66 NC(=O)CCC1CCCC1 WXVL_AK0084SB0045 [1,0,0,1,0,0|1,0,0]=3 541 B10R1.66 NC(=O)CCC1CCCC1 WXVL_AK0084SB0045 [1,0,0,1,0,0|1,0,0]=3 542 B10R1.66 NC(=O)CCN1CCCC1 WXVL_AK0084SB0766 [1,0,0,1,0,0|2,0,0]=4 543 B10R1.66 NC(=O)CCN1CCCC1 WXVL_AK0084SB0766 [1,0,0,1,0,0|2,0,0]=4 544 B10R1.66 NC(=O)COC1CCCC1 WXVL_AK0084SB0754 [1,0,0,1,0,0|2,0,0]=4 545 B10R1.66 NC(=O)COC1CCCC1 WXVL_AK0084SB0754 [1,0,0,1,0,0|2,0,0]=4 546 B10R1.127 CC(=O)NCCC1CCC1 WXVL_AK2418SB0150 [1,0,0,1,0,0|1,0,0]=3 547 B10R1.127 CC(=O)NCCC1CCC1 WXVL_AK2418SB0150 [1,0,0,1,0,0|1,0,0]=3 548 B10R1.348 CC(=O)N1CCCOCC1 WXVL_AN00350SB0150 [1,0,0,1,0,0|2,0,0]=4 549 B10R1.348 CC(=O)N1CCCOCC1 WXVL_AN00350SB0150 [1,0,0,1,0,0|2,0,0]=4 550 B10R1.348 NC(=O)C1CCCCCC1 WXVL_AK0084SB0385 [1,0,0,1,0,0|1,0,0]=3 551 B10R1.348 NC(=O)C1CCCCCC1 WXVL_AK0084SB0385 [1,0,0,1,0,0|1,0,0]=3 552 B10R1.15 CNC(=O)C1CCCCC1 WXVL_AK00442SB0047 [1,0,0,1,0,0|1,0,0]=3 553 B10R1.15 CNC(=O)C1CCCCC1 WXVL_AK00442SB0047 [1,0,0,1,0,0|1,0,0]=3 554 B10R1.15 CNC(=O)C1CCCCO1 WXVL_AK00442SB0206 [1,0,0,1,0,0|2,0,0]=4 555 B10R1.15 CNC(=O)C1CCCCO1 WXVL_AK00442SB0206 [1,0,0,1,0,0|2,0,0]=4 556 B10R1.15 CNC(=O)C1CCOCC1 WXVL_AK00442SB0149 [1,0,0,1,0,0|2,0,0]=4 557 B10R1.15 CNC(=O)C1CCOCC1 WXVL_AK00442SB0149 [1,0,0,1,0,0|2,0,0]=4 558 B10R1.15 CNC(=O)C1CCSCC1 WXVL_AK00442SB0752 [1,0,0,1,0,0|2,0,0]=4 559 B10R1.15 CNC(=O)C1CCSCC1 WXVL_AK00442SB0752 [1,0,0,1,0,0|2,0,0]=4 560 B10R1.15 CNC(=O)[C@H]1CCCCO1 WXVL_AK00442SB00044 [1,0,0,1,0,0|2,0,0]=4 561 B10R1.15 CNC(=O)[C@H]1CCCCO1 WXVL_AK00442SB00044 [1,0,0,1,0,0|2,0,0]=4 562 B10R1.27 CNC(=O)CC1CCCC1 WXVL_AK00442SB0044 [1,0,0,1,0,0|1,0,0]=3 563 B10R1.27 CNC(=O)CC1CCCC1 WXVL_AK00442SB0044 [1,0,0,1,0,0|1,0,0]=3 564 B10R1.27 CNC(=O)CN1CCCC1 WXVL_AK00442SB0201 [1,0,0,1,0,0|2,0,0]=4 565 B10R1.27 CNC(=O)CN1CCCC1 WXVL_AK00442SB0201 [1,0,0,1,0,0|2,0,0]=4 566 B10R1.149 CCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0064 [1,0,0,1,0,0|2,0,0]=4 567 B10R1.149 CNC(=O)C1CCCC1C WXVL_AK00442SB0904 [1,0,0,1,0,0|1,0,0]=3 568 B10R1.149 CNC(=O)C1CCCC1C WXVL_AK00442SB0904 [1,0,0,1,0,0|1,0,0]=3 569 B10R1.149 CNC(=O)[C@@H]1CCCN1C WXVL_AK00442SB1197 [1,0,0,1,0,0|2,0,0]=4 570 B10R1.149 CNC(=O)[C@@H]1CCCN1C WXVL_AK00442SB1197 [1,0,0,1,0,0|2,0,0]=4 571 B10R1.151 CCC(=O)NCC1CCC1 WXVL_AK00492SB0064 [1,0,0,1,0,0|2,0,0]=4 572 B10R1.151 CCC(=O)NCC1CCC1 WXVL_AK00492SB0064 [1,0,0,1,0,0|2,0,0]=4 573 B10R1.151 CNC(=O)CCC1CCC1 WXVL_AK00442SB8784 [1,0,0,1,0,0|1,0,0]=3 574 B10R1.151 CNC(=O)CCC1CCC1 WXVL_AK00442SB8784 [1,0,0,1,0,0|1,0,0]=3 575 B10R1.153 CCC(=O)NCCC1CC1 WXVL_AK00594SB0064 [1,0,0,1,0,0|2,0,0]=4 576 B10R1.153 CCC(=O)NCCC1CC1 WXVL_AK00594SB0064 [1,0,0,1,0,0|2,0,0]=4 577 B12R1.32 C/C=C/C(=O)NC1CCCCC1 WXVL_AK00480SB0340 [0,1,0,1,0,0|2,0,0]=4 578 B12R1.32 C/C=C/C(=O)NC1CCCCC1 WXVL_AK00480SB0340 [0,1,0,1,0,0|2,0,0]=4 579 B12R1.32 CC#CC(=O)NC1CCCCC1 WXVL_AK00480SB1240 [0,1,0,1,0,0|2,0,0]=4 580 B12R1.32 CC#CC(=O)NC1CCCCC1 WXVL_AK00480SB1240 [0,1,0,1,0,0|2,0,0]=4 581 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [0,1,0,1,0,0|2,0,0]=4 582 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [0,1,0,1,0,0|2,0,0]=4 583 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [0,1,0,1,0,0|2,0,0]=4 584 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [0,1,0,1,0,0|2,0,0]=4 585 B12R1.32 CCNC(=O)CC1CCOCC1 WXVL_AK00476SB0194 [0,1,0,1,0,0|2,0,0]=4 586 B12R1.32 CCNC(=O)CC1CCOCC1 WXVL_AK00476SB0194 [0,1,0,1,0,0|2,0,0]=4 587 B12R1.32 CCNC(=O)CN1CCCCC1 WXVL_AK00476SB0186 [0,1,0,1,0,0|2,0,0]=4 588 B12R1.32 CCNC(=O)CN1CCCCC1 WXVL_AK00476SB0186 [0,1,0,1,0,0|2,0,0]=4 589 B12R1.32 COCC(=O)NC1CCCCC1 WXVL_AK00480SB0090 [0,1,0,1,0,0|1,0,0]=3 590 B12R1.32 COCC(=O)NC1CCCCC1 WXVL_AK00480SB0090 [0,1,0,1,0,0|1,0,0]=3 591 B12R1.32 COCC(=O)NC1CCCOC1 WXVL_AK1073SB0090 [0,1,0,1,0,0|2,0,0]=4 592 B12R1.32 COCC(=O)NC1CCCOC1 WXVL_AK1073SB0090 [0,1,0,1,0,0|2,0,0]=4 593 B12R1.32 CSCC(=O)NC1CCCCC1 WXVL_AK00480SB1267 [0,1,0,1,0,0|1,1,0]=4 594 B12R1.32 CSCC(=O)NC1CCCCC1 WXVL_AK00480SB1267 [0,1,0,1,0,0|1,1,0]=4 595 B12R1.51 C/C=C/C(=O)NCC1CCCC1 WXVL_AK0303SB0340 [0,1,0,1,0,0|2,0,0]=4 596 B12R1.51 C/C=C/C(=O)NCC1CCCC1 WXVL_AK0303SB0340 [0,1,0,1,0,0|2,0,0]=4 597 B12R1.51 CC#CC(=O)NCC1CCCC1 WXVL_AK0303SB1240 [0,1,0,1,0,0|2,0,0]=4 598 B12R1.51 CC#CC(=O)NCC1CCCC1 WXVL_AK0303SB1240 [0,1,0,1,0,0|2,0,0]=4 599 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [0,1,0,1,0,0|2,0,0]=4 600 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [0,1,0,1,0,0|2,0,0]=4 601 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [0,1,0,1,0,0|1,0,0]=3 602 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [0,1,0,1,0,0|1,0,0]=3 603 B12R1.51 CCNC(=O)CCN1CCCC1 WXVL_AK00476SB0766 [0,1,0,1,0,0|2,0,0]=4 604 B12R1.51 CCNC(=O)CCN1CCCC1 WXVL_AK00476SB0766 [0,1,0,1,0,0|2,0,0]=4 605 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [0,1,0,1,0,0|2,0,0]=4 606 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [0,1,0,1,0,0|2,0,0]=4 607 B12R1.51 COCC(=O)NCC1CCCC1 WXVL_AK0303SB0090 [0,1,0,1,0,0|1,0,0]=3 608 B12R1.51 COCC(=O)NCC1CCCC1 WXVL_AK0303SB0090 [0,1,0,1,0,0|1,0,0]=3 609 B12R1.51 COCC(=O)NCC1CCOC1 WXVL_AK00634SB0090 [0,1,0,1,0,0|2,0,0]=4 610 B12R1.51 COCC(=O)NCC1CCOC1 WXVL_AK00634SB0090 [0,1,0,1,0,0|2,0,0]=4 611 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0090 [0,1,0,1,0,0|2,0,0]=4 612 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0090 [0,1,0,1,0,0|2,0,0]=4 613 B12R1.51 COCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0090 [0,1,0,1,0,0|2,0,0]=4 614 B12R1.51 COCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0090 [0,1,0,1,0,0|2,0,0]=4 615 B12R1.51 CSCC(=O)NCC1CCCC1 WXVL_AK0303SB1267 [0,1,0,1,0,0|1,1,0]=4 616 B12R1.51 CSCC(=O)NCC1CCCC1 WXVL_AK0303SB1267 [0,1,0,1,0,0|1,1,0]=4 617 B12R1.308 C/C=C/C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0340 [0,1,0,1,0,0|2,0,0]=4 618 B12R1.308 CC#CC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB1240 [0,1,0,1,0,0|2,0,0]=4 619 B12R1.308 CCCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0073 [0,1,0,1,0,0|2,0,0]=4 620 B12R1.308 CCNC(=O)[C@H]1CCCCN1C WXVL_AK00476SB4055 [0,1,0,1,0,0|2,0,0]=4 621 B12R1.308 CCNC(=O)[C@H]1CCCCN1C WXVL_AK00476SB4055 [0,1,0,1,0,0|2,0,0]=4 622 B12R1.308 COCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0090 [0,1,0,1,0,0|1,0,0]=3 623 B12R1.308 COCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0090 [0,1,0,1,0,0|2,0,0]=4 624 B12R1.308 COCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0090 [0,1,0,1,0,0|2,0,0]=4 625 B12R1.308 COCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0090 [0,1,0,1,0,0|2,0,0]=4 626 B12R1.308 CSCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB1267 [0,1,0,1,0,0|1,1,0]=4 627 B12R1.315 C/C=C/C(=O)NCCC1CCC1 WXVL_AK2418SB0340 [0,1,0,1,0,0|2,0,0]=4 628 B12R1.315 C/C=C/C(=O)NCCC1CCC1 WXVL_AK2418SB0340 [0,1,0,1,0,0|2,0,0]=4 629 B12R1.315 CC#CC(=O)NCCC1CCC1 WXVL_AK2418SB1240 [0,1,0,1,0,0|2,0,0]=4 630 B12R1.315 CC#CC(=O)NCCC1CCC1 WXVL_AK2418SB1240 [0,1,0,1,0,0|2,0,0]=4 631 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [0,1,0,1,0,0|2,0,0]=4 632 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [0,1,0,1,0,0|2,0,0]=4 633 B12R1.315 COCC(=O)NCCC1CCC1 WXVL_AK2418SB0090 [0,1,0,1,0,0|1,0,0]=3 634 B12R1.315 COCC(=O)NCCC1CCC1 WXVL_AK2418SB0090 [0,1,0,1,0,0|1,0,0]=3 635 B12R1.315 CSCC(=O)NCCC1CCC1 WXVL_AK2418SB1267 [0,1,0,1,0,0|1,1,0]=4 636 B12R1.315 CSCC(=O)NCCC1CCC1 WXVL_AK2418SB1267 [0,1,0,1,0,0|1,1,0]=4 637 B12R1.316 COCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0090 [0,1,0,1,0,0|2,0,0]=4 638 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [0,1,0,1,0,0|2,0,0]=4 639 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [0,1,0,1,0,0|2,0,0]=4 640 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [0,1,0,1,0,0|1,0,0]=3 641 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [0,1,0,1,0,0|1,0,0]=3 642 B12R1.1564 COCC(=O)N1CCCOCC1 WXVL_AN00350SB0090 [0,1,0,1,0,0|2,0,0]=4 643 B12R1.1564 COCC(=O)N1CCCOCC1 WXVL_AN00350SB0090 [0,1,0,1,0,0|2,0,0]=4 644 B12R1.27 CCC(=O)NCC1CCCCO1 WXVL_AK1232SB0064 [0,1,0,1,0,0|2,0,0]=4 645 B12R1.27 CCC(=O)NCC1CCCCO1 WXVL_AK1232SB0064 [0,1,0,1,0,0|2,0,0]=4 646 B12R1.27 CCC(=O)NCC1CCCOC1 WXVL_AK00150SB0064 [0,1,0,1,0,0|2,0,0]=4 647 B12R1.27 CCC(=O)NCC1CCCOC1 WXVL_AK00150SB0064 [0,1,0,1,0,0|2,0,0]=4 648 B12R1.27 CCC(=O)NCC1CCOCC1 WXVL_AK0150SB0064 [0,1,0,1,0,0|2,0,0]=4 649 B12R1.27 CCC(=O)NCC1CCOCC1 WXVL_AK0150SB0064 [0,1,0,1,0,0|2,0,0]=4 650 B12R1.27 CCC(=O)NCC1CCSCC1 WXVL_AK00654SB0064 [0,1,0,1,0,0|2,0,0]=4 651 B12R1.27 CCC(=O)NCC1CCSCC1 WXVL_AK00654SB0064 [0,1,0,1,0,0|2,0,0]=4 652 B12R1.27 CNC(=O)/C=C/C1CCCCC1 WXVL_AK00442SB5384 [0,1,0,1,0,0|1,0,1]=4 653 B12R1.27 CNC(=O)/C=C/C1CCCCC1 WXVL_AK00442SB5384 [0,1,0,1,0,0|1,0,1]=4 654 B12R1.27 CNC(=O)CCC1CCCCC1 WXVL_AK00442SB0049 [0,1,0,1,0,0|1,0,0]=3 655 B12R1.27 CNC(=O)CCC1CCCCC1 WXVL_AK00442SB0049 [0,1,0,1,0,0|1,0,0]=3 656 B12R1.27 CNC(=O)CCN1CCCCC1 WXVL_AK00442SB0127 [0,1,0,1,0,0|1,0,0]=3 657 B12R1.27 CNC(=O)CCN1CCCCC1 WXVL_AK00442SB0127 [0,1,0,1,0,0|1,0,0]=3 658 B12R1.27 CNC(=O)CCN1CCOCC1 WXVL_AK00442SB0196 [0,1,0,1,0,0|2,0,0]=4 659 B12R1.27 CNC(=O)CCN1CCOCC1 WXVL_AK00442SB0196 [0,1,0,1,0,0|2,0,0]=4 660 B12R1.27 CNC(=O)COC1CCCCC1 WXVL_AK00442SB3400 [0,1,0,1,0,0|1,0,0]=3 661 B12R1.27 CNC(=O)COC1CCCCC1 WXVL_AK00442SB3400 [0,1,0,1,0,0|1,0,0]=3 662 B12R1.77 CCC(=O)N1CCCCC1CO WXVL_AN0018SB0064 [0,1,0,1,0,0|2,0,0]=4 663 B12R1.77 CCC(=O)N1CCCCC1CO WXVL_AN0018SB0064 [0,1,0,1,0,0|2,0,0]=4 664 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0064 [0,1,0,1,0,0|2,0,0]=4 665 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0064 [0,1,0,1,0,0|2,0,0]=4 666 B12R1.477 C#CC(=O)NCCC1CCCC1 WXVL_AK00531SB0338 [0,1,0,1,0,0|1,0,1]=4 667 B12R1.477 C#CC(=O)NCCC1CCCC1 WXVL_AK00531SB0338 [0,1,0,1,0,0|1,0,1]=4 668 B12R1.477 CCC(=O)NCCC1CCCC1 WXVL_AK00531SB0064 [0,1,0,1,0,0|1,0,0]=3 669 B12R1.477 CCC(=O)NCCC1CCCC1 WXVL_AK00531SB0064 [0,1,0,1,0,0|1,0,0]=3 670 B12R1.477 O=C(CO)NCCC1CCCC1 WXVL_AK00531SB2706 [0,1,0,1,0,0|2,0,0]=4 671 B12R1.477 O=C(CO)NCCC1CCCC1 WXVL_AK00531SB2706 [0,1,0,1,0,0|2,0,0]=4 672 B12R1.43 CC(=O)C(=O)NC1CCCCC1 WXVL_AK00480SB0051 [0,1,0,1,0,0|2,0,0]=4 673 B12R1.43 CC(=O)C(=O)NC1CCCCC1 WXVL_AK00480SB0051 [0,1,0,1,0,0|2,0,0]=4 674 B12R1.43 CC(C)C(=O)NC1CCCCC1 WXVL_AK00480SB0052 [0,1,0,1,0,0|2,0,0]=4 675 B12R1.43 CC(C)C(=O)NC1CCCCC1 WXVL_AK00480SB0052 [0,1,0,1,0,0|2,0,0]=4 676 B12R1.43 CC(S)C(=O)NC1CCCCC1 WXVL_AK00480SB2708 [0,1,0,1,0,0|2,0,0]=4 677 B12R1.43 CC(S)C(=O)NC1CCCCC1 WXVL_AK00480SB2708 [0,1,0,1,0,0|2,0,0]=4 678 B12R1.43 CN(C)C(=O)CC1CCCCO1 WXVL_AN0032SB1464 [0,1,0,1,0,0|2,0,0]=4 679 B12R1.43 CN(C)C(=O)CC1CCCCO1 WXVL_AN0032SB1464 [0,1,0,1,0,0|2,0,0]=4 680 B12R1.43 CN(C)C(=O)CC1CCOCC1 WXVL_AN0032SB0194 [0,1,0,1,0,0|2,0,0]=4 681 B12R1.43 CN(C)C(=O)CC1CCOCC1 WXVL_AN0032SB0194 [0,1,0,1,0,0|2,0,0]=4 682 B12R1.43 CN(C)C(=O)CN1CCCCC1 WXVL_AN0032SB0186 [0,1,0,1,0,0|2,0,0]=4 683 B12R1.43 CN(C)C(=O)CN1CCCCC1 WXVL_AN0032SB0186 [0,1,0,1,0,0|2,0,0]=4 684 B12R1.43 C[C@@H](O)C(=O)NC1CCCCC1 WXVL_AK00480SB1085 [0,1,0,1,0,0|2,0,0]=4 685 B12R1.43 C[C@@H](O)C(=O)NC1CCCCC1 WXVL_AK00480SB1085 [0,1,0,1,0,0|2,0,0]=4 686 B12R1.124 CC(=O)C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0051 [0,1,0,1,0,0|2,0,0]=4 687 B12R1.124 CC(C)C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0052 [0,1,0,1,0,0|2,0,0]=4 688 B12R1.124 CC(S)C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB2708 [0,1,0,1,0,0|2,0,0]=4 689 B12R1.124 CN(C)C(=O)[C@H]1CCCCN1C WXVL_AN0032SB4055 [0,1,0,1,0,0|2,0,0]=4 690 B12R1.124 CN(C)C(=O)[C@H]1CCCCN1C WXVL_AN0032SB4055 [0,1,0,1,0,0|2,0,0]=4 691 B12R1.124 C[C@H]1CCCCN1C(=O)[C@@H](C)O WXVL_AN00851SB1085 [0,1,0,1,0,0|2,0,0]=4 692 B12R1.264 CC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB0051 [0,1,0,1,0,0|2,0,0]=4 693 B12R1.264 CC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB0051 [0,1,0,1,0,0|2,0,0]=4 694 B12R1.264 CC(C)C(=O)NCC1CCCC1 WXVL_AK0303SB0052 [0,1,0,1,0,0|2,0,0]=4 695 B12R1.264 CC(C)C(=O)NCC1CCCC1 WXVL_AK0303SB0052 [0,1,0,1,0,0|2,0,0]=4 696 B12R1.264 CC(S)C(=O)NCC1CCCC1 WXVL_AK0303SB2708 [0,1,0,1,0,0|2,0,0]=4 697 B12R1.264 CC(S)C(=O)NCC1CCCC1 WXVL_AK0303SB2708 [0,1,0,1,0,0|2,0,0]=4 698 B12R1.264 CN(C)C(=O)CCC1CCCC1 WXVL_AN0032SB0045 [0,1,0,1,0,0|1,0,0]=3 699 B12R1.264 CN(C)C(=O)CCC1CCCC1 WXVL_AN0032SB0045 [0,1,0,1,0,0|1,0,0]=3 700 B12R1.264 CN(C)C(=O)CCN1CCCC1 WXVL_AN0032SB0766 [0,1,0,1,0,0|2,0,0]=4 701 B12R1.264 CN(C)C(=O)CCN1CCCC1 WXVL_AN0032SB0766 [0,1,0,1,0,0|2,0,0]=4 702 B12R1.264 CN(C)C(=O)COC1CCCC1 WXVL_AN0032SB0754 [0,1,0,1,0,0|2,0,0]=4 703 B12R1.264 CN(C)C(=O)COC1CCCC1 WXVL_AN0032SB0754 [0,1,0,1,0,0|2,0,0]=4 704 B12R1.264 C[C@@H](O)C(=O)NCC1CCCC1 WXVL_AK0303SB1085 [0,1,0,1,0,0|2,0,0]=4 705 B12R1.264 C[C@@H](O)C(=O)NCC1CCCC1 WXVL_AK0303SB1085 [0,1,0,1,0,0|2,0,0]=4 706 B12R1.1396 CC(=O)C(=O)NCCC1CCC1 WXVL_AK2418SB0051 [0,1,0,1,0,0|2,0,0]=4 707 B12R1.1396 CC(=O)C(=O)NCCC1CCC1 WXVL_AK2418SB0051 [0,1,0,1,0,0|2,0,0]=4 708 B12R1.1396 CC(C)C(=O)NCCC1CCC1 WXVL_AK2418SB0052 [0,1,0,1,0,0|2,0,0]=4 709 B12R1.1396 CC(C)C(=O)NCCC1CCC1 WXVL_AK2418SB0052 [0,1,0,1,0,0|2,0,0]=4 710 B12R1.1396 CC(S)C(=O)NCCC1CCC1 WXVL_AK2418SB2708 [0,1,0,1,0,0|2,0,0]=4 711 B12R1.1396 CC(S)C(=O)NCCC1CCC1 WXVL_AK2418SB2708 [0,1,0,1,0,0|2,0,0]=4 712 B12R1.1396 C[C@@H](O)C(=O)NCCC1CCC1 WXVL_AK2418SB1085 [0,1,0,1,0,0|2,0,0]=4 713 B12R1.1396 C[C@@H](O)C(=O)NCCC1CCC1 WXVL_AK2418SB1085 [0,1,0,1,0,0|2,0,0]=4 714 B12R1.2197 CN(C)C(=O)C1CCCCCC1 WXVL_AN0032SB0385 [0,1,0,1,0,0|1,0,0]=3 715 B12R1.2197 CN(C)C(=O)C1CCCCCC1 WXVL_AN0032SB0385 [0,1,0,1,0,0|1,0,0]=3 716 B12R1.26 CCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0064 [0,1,0,1,0,0|2,0,0]=4 717 B12R1.26 CCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0064 [0,1,0,1,0,0|2,0,0]=4 718 B12R1.910 COC(=O)CCC(=O)NC1CC1 WXVL_AK0001SB0069 [0,1,0,1,0,0|1,0,1]=4 719 B12R1.910 COC(=O)CCC(=O)NC1CC1 WXVL_AK0001SB0069 [0,1,0,1,0,0|1,0,1]=4 720 B12R1.1657 CCC(=O)N1CCCCC(C1)C WXVL_AN00290SB0064 [0,1,0,1,0,0|2,0,0]=4 721 B12R1.1657 CCC(=O)N1CCCCC(C1)C WXVL_AN00290SB0064 [0,1,0,1,0,0|2,0,0]=4 722 B12R1.1677 CCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0064 [0,1,0,1,0,0|2,0,0]=4 723 B12R1.1677 CCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0064 [0,1,0,1,0,0|2,0,0]=4 724 B12R1.1677 CCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0064 [0,1,0,1,0,0|2,0,0]=4 725 B12R1.1677 CCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0064 [0,1,0,1,0,0|2,0,0]=4 726 B12R1.24 CCC(=O)N1CCCC(C1C)O WXVL_ANJ336SB0064 [0,1,0,1,0,0|2,0,0]=4 727 B12R1.24 CCC(=O)N1CCCC(C1C)O WXVL_ANJ336SB0064 [0,1,0,1,0,0|2,0,0]=4 728 B12R1.49 CNC(=O)CC1CCN(CC1)C WXVL_AK00442SB0212 [0,1,0,1,0,0|2,0,0]=4 729 B12R1.49 CNC(=O)CC1CCN(CC1)C WXVL_AK00442SB0212 [0,1,0,1,0,0|2,0,0]=4 730 B12R1.49 CNC(=O)CN1CCC(CC1)C WXVL_AK00442SB8856 [0,1,0,1,0,0|2,0,0]=4 731 B12R1.49 CNC(=O)CN1CCC(CC1)C WXVL_AK00442SB8856 [0,1,0,1,0,0|2,0,0]=4 732 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C WXVL_AK00442YV0200 [0,1,0,1,0,0|2,0,0]=4 733 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C WXVL_AK00442YV0200 [0,1,0,1,0,0|2,0,0]=4 734 B12R1.1658 CCC(=O)N1CCCC(CC1)C WXVL_AN00326SB0064 [0,1,0,1,0,0|2,0,0]=4 735 B12R1.1658 CCC(=O)N1CCCC(CC1)C WXVL_AN00326SB0064 [0,1,0,1,0,0|2,0,0]=4 736 B12R1.50 CCC(=O)N[C@H]1CCC[C@H](C1)O WXVL_AK2614SB0064 [0,1,0,1,0,0|2,0,0]=4 737 B12R1.50 CCC(=O)N[C@H]1CCC[C@H](C1)O WXVL_AK2614SB0064 [0,1,0,1,0,0|2,0,0]=4 738 B12R1.366 CNC(=O)C1CCCCC1(F)F WXVL_AK00442SBG936 [0,1,0,1,0,0|2,0,0]=4 739 B12R1.366 CNC(=O)C1CCCCC1(F)F WXVL_AK00442SBG936 [0,1,0,1,0,0|2,0,0]=4 740 B12R1.368 CNC(=O)[C@@H]1CCCN1C(C)C WXVL_AK00442SB0024 [0,1,0,1,0,0|2,0,0]=4 741 B12R1.368 CNC(=O)[C@@H]1CCCN1C(C)C WXVL_AK00442SB0024 [0,1,0,1,0,0|2,0,0]=4 742 B12R1.15 COC(=O)CC(=O)N1CCCC1 WXVL_AN0008SB2790 [0,1,0,1,0,0|1,0,1]=4 743 B12R1.15 COC(=O)CC(=O)N1CCCC1 WXVL_AN0008SB2790 [0,1,0,1,0,0|1,0,1]=4 744 B12R1.3441 CCC(=O)N1[C@H](CCC[C@H]1C)C WXVL_AN3062SB0064 [0,1,0,1,0,0|2,0,0]=4 745 B12R1.3524 CCC(=O)NC1(CCCCC1)C WXVL_AK0295SB0064 [0,1,0,1,0,0|2,0,0]=4 746 B12R1.3524 CCC(=O)NC1(CCCCC1)C WXVL_AK0295SB0064 [0,1,0,1,0,0|2,0,0]=4 747 B12R1.31 CCCC(=O)N[C@@H]1COC(=O)C1 WXVL_AK00458SB0073 [0,1,0,1,0,0|1,0,1]=4 748 B12R1.31 CCCC(=O)N[C@@H]1COC(=O)C1 WXVL_AK00458SB0073 [0,1,0,1,0,0|1,0,1]=4 749 B12R2.1596 CCC(=O)N1CC2CCC1C2 WXVL_AN3504SB0064 [0,0,0,2,0,0|2,0,0]=4 750 B12R2.1596 CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 WXVL_AK00442SB1121 [0,0,0,2,0,0|2,0,0]=4 751 B12R2.1596 CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 WXVL_AK00442SB1121 [0,0,0,2,0,0|2,0,0]=4 752 B12R2.1561 CCC(=O)N1C2CCC1CC2 WXVL_AN00445SB0064 [0,0,0,2,0,0|2,0,0]=4 753 B12R2.1561 CCC(=O)N1C2CCC1CC2 WXVL_AN00445SB0064 [0,0,0,2,0,0|2,0,0]=4