0 B11R0.4 C#CCC(=O)NCCCCCC WXVL_AK0286SB3070 [0,0,0,0,0,0|1,0,2]=3 1 B11R0.4 C#CCC(=O)NCCCCCC WXVL_AK0286SB3070 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.4 C#CCC(=O)NCCCCCO WXVL_AK0077SB3070 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.4 C#CCC(=O)NCCCCCO WXVL_AK0077SB3070 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.4 C#CCC(=O)NCCCOCC WXVL_AK0072SB3070 [0,0,0,0,0,0|2,0,2]=4 5 B11R0.4 C#CCC(=O)NCCCOCC WXVL_AK0072SB3070 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.4 C#CCCCCNC(=O)CCC WXVL_AK00614SB0073 [0,0,0,0,0,0|1,0,2]=3 7 B11R0.4 C#CCCCCNC(=O)CCC WXVL_AK00614SB0073 [0,0,0,0,0,0|1,0,2]=3 8 B11R0.4 C#CCCCCNC(=O)COC WXVL_AK00614SB0090 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.4 C#CCCCCNC(=O)COC WXVL_AK00614SB0090 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.4 C#CCCCCNC(=O)CSC WXVL_AK00614SB1267 [0,0,0,0,0,0|2,0,2]=4 11 B11R0.4 C#CCCCCNC(=O)CSC WXVL_AK00614SB1267 [0,0,0,0,0,0|2,0,2]=4 12 B11R0.4 C#CCOCCNC(=O)CCC WXVL_AK00687SB0073 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.4 C#CCOCCNC(=O)CCC WXVL_AK00687SB0073 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,0,0,0,0,0|1,0,2]=3 15 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,0,0,0,0,0|1,0,2]=3 16 B11R0.4 C/C=C/C(=O)NCCCCCO WXVL_AK0077SB0340 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.4 C/C=C/C(=O)NCCCCCO WXVL_AK0077SB0340 [0,0,0,0,0,0|2,0,2]=4 18 B11R0.4 C/C=C/C(=O)NCCCOCC WXVL_AK0072SB0340 [0,0,0,0,0,0|2,0,2]=4 19 B11R0.4 C/C=C/C(=O)NCCCOCC WXVL_AK0072SB0340 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.4 C=CCC(=O)NCCCCCC WXVL_AK0286SB2732 [0,0,0,0,0,0|1,0,2]=3 21 B11R0.4 C=CCC(=O)NCCCCCC WXVL_AK0286SB2732 [0,0,0,0,0,0|1,0,2]=3 22 B11R0.4 C=CCC(=O)NCCCCCO WXVL_AK0077SB2732 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.4 C=CCC(=O)NCCCCCO WXVL_AK0077SB2732 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.4 C=CCC(=O)NCCCOCC WXVL_AK0072SB2732 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.4 C=CCC(=O)NCCCOCC WXVL_AK0072SB2732 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.4 C=COCCCNC(=O)CCC WXVL_AK7221SB0073 [0,0,0,0,0,0|2,0,2]=4 27 B11R0.4 C=COCCCNC(=O)CCC WXVL_AK7221SB0073 [0,0,0,0,0,0|2,0,2]=4 28 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [0,0,0,0,0,0|1,0,2]=3 29 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [0,0,0,0,0,0|1,0,2]=3 30 B11R0.4 CC#CC(=O)NCCCCCO WXVL_AK0077SB1240 [0,0,0,0,0,0|2,0,2]=4 31 B11R0.4 CC#CC(=O)NCCCCCO WXVL_AK0077SB1240 [0,0,0,0,0,0|2,0,2]=4 32 B11R0.4 CC#CC(=O)NCCCOCC WXVL_AK0072SB1240 [0,0,0,0,0,0|2,0,2]=4 33 B11R0.4 CC#CC(=O)NCCCOCC WXVL_AK0072SB1240 [0,0,0,0,0,0|2,0,2]=4 34 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [0,0,0,0,0,0|2,0,0]=2 35 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [0,0,0,0,0,0|2,0,0]=2 36 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,0,0,0,0,0|2,0,0]=2 37 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,0,0,0,0,0|2,0,0]=2 38 B11R0.4 CCCC(=O)NCCNCCO WXVL_AK0954SB0073 [0,0,0,0,0,0|3,0,0]=3 39 B11R0.4 CCCC(=O)NCCNCCO WXVL_AK0954SB0073 [0,0,0,0,0,0|3,0,0]=3 40 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,0,0,0,0,0|2,0,1]=3 41 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,0,0,0,0,0|2,0,1]=3 42 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,0,0,0,0,0|2,0,0]=2 43 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,0,0,0,0,0|2,0,0]=2 44 B11R0.4 CCCCCCNC(=O)CC#N WXVL_AK0286SB0057 [0,0,0,0,0,0|2,0,1]=3 45 B11R0.4 CCCCCCNC(=O)CC#N WXVL_AK0286SB0057 [0,0,0,0,0,0|2,0,1]=3 46 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,0,0,0,0,0|1,0,0]=1 47 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,0,0,0,0,0|1,0,0]=1 48 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,0,0,0,0,0|2,0,0]=2 49 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,0,0,0,0,0|2,0,0]=2 50 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,0,0,0,0,0|2,0,0]=2 51 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,0,0,0,0,0|2,0,0]=2 52 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,0,0,0,0,0|3,0,0]=3 53 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,0,0,0,0,0|3,0,0]=3 54 B11R0.4 CCOCCCNC(=O)CC#N WXVL_AK0072SB0057 [0,0,0,0,0,0|3,0,1]=4 55 B11R0.4 CCOCCCNC(=O)CC#N WXVL_AK0072SB0057 [0,0,0,0,0,0|3,0,1]=4 56 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,0,0,0,0,0|3,0,0]=3 57 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,0,0,0,0,0|3,0,0]=3 58 B11R0.4 CCOCCCNC(=O)CSC WXVL_AK0072SB1267 [0,0,0,0,0,0|3,0,0]=3 59 B11R0.4 CCOCCCNC(=O)CSC WXVL_AK0072SB1267 [0,0,0,0,0,0|3,0,0]=3 60 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,0,0,0,0,0|3,0,0]=3 61 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,0,0,0,0,0|3,0,0]=3 62 B11R0.4 COCC(=O)NCCNCCO WXVL_AK0954SB0090 [0,0,0,0,0,0|4,0,0]=4 63 B11R0.4 COCC(=O)NCCNCCO WXVL_AK0954SB0090 [0,0,0,0,0,0|4,0,0]=4 64 B11R0.4 CSCC(=O)NCCCCCO WXVL_AK0077SB1267 [0,0,0,0,0,0|3,0,0]=3 65 B11R0.4 CSCC(=O)NCCCCCO WXVL_AK0077SB1267 [0,0,0,0,0,0|3,0,0]=3 66 B11R0.4 CSCC(=O)NCCNCCO WXVL_AK0954SB1267 [0,0,0,0,0,0|4,0,0]=4 67 B11R0.4 CSCC(=O)NCCNCCO WXVL_AK0954SB1267 [0,0,0,0,0,0|4,0,0]=4 68 B11R0.4 N#CCC(=O)NCCCCCO WXVL_AK0077SB0057 [0,0,0,0,0,0|3,0,1]=4 69 B11R0.4 N#CCC(=O)NCCCCCO WXVL_AK0077SB0057 [0,0,0,0,0,0|3,0,1]=4 70 B10R0.1 C#CCC(=O)NCCCCC WXVL_AK0076SB3070 [1,0,0,0,0,0|1,0,2]=4 71 B10R0.1 C#CCC(=O)NCCCCC WXVL_AK0076SB3070 [1,0,0,0,0,0|1,0,2]=4 72 B10R0.1 C#CCCCNC(=O)CCC WXVL_AK00218SB0073 [1,0,0,0,0,0|1,0,2]=4 73 B10R0.1 C#CCCCNC(=O)CCC WXVL_AK00218SB0073 [1,0,0,0,0,0|1,0,2]=4 74 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [1,0,0,0,0,0|1,0,2]=4 75 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [1,0,0,0,0,0|1,0,2]=4 76 B10R0.1 C=CCC(=O)NCCCCC WXVL_AK0076SB2732 [1,0,0,0,0,0|1,0,2]=4 77 B10R0.1 C=CCC(=O)NCCCCC WXVL_AK0076SB2732 [1,0,0,0,0,0|1,0,2]=4 78 B10R0.1 CC#CC(=O)NCCCCC WXVL_AK0076SB1240 [1,0,0,0,0,0|1,0,2]=4 79 B10R0.1 CC#CC(=O)NCCCCC WXVL_AK0076SB1240 [1,0,0,0,0,0|1,0,2]=4 80 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [1,0,0,0,0,0|2,0,0]=3 81 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [1,0,0,0,0,0|2,0,0]=3 82 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [1,0,0,0,0,0|2,0,0]=3 83 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [1,0,0,0,0,0|2,0,0]=3 84 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [1,0,0,0,0,0|2,0,0]=3 85 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [1,0,0,0,0,0|2,0,0]=3 86 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [1,0,0,0,0,0|2,0,0]=3 87 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [1,0,0,0,0,0|2,0,0]=3 88 B10R0.1 CCCCCNC(=O)CC#N WXVL_AK0076SB0057 [1,0,0,0,0,0|2,0,1]=4 89 B10R0.1 CCCCCNC(=O)CC#N WXVL_AK0076SB0057 [1,0,0,0,0,0|2,0,1]=4 90 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [1,0,0,0,0,0|1,0,0]=2 91 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [1,0,0,0,0,0|1,0,0]=2 92 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [1,0,0,0,0,0|2,0,0]=3 93 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [1,0,0,0,0,0|2,0,0]=3 94 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [1,0,0,0,0,0|2,0,0]=3 95 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [1,0,0,0,0,0|2,0,0]=3 96 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [1,0,0,0,0,0|2,0,0]=3 97 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [1,0,0,0,0,0|2,0,0]=3 98 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [1,0,0,0,0,0|2,0,0]=3 99 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [1,0,0,0,0,0|2,0,0]=3 100 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [1,0,0,0,0,0|3,0,0]=4 101 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [1,0,0,0,0,0|3,0,0]=4 102 B10R0.1 CCSCCNC(=O)COC WXVL_AK00494SB0090 [1,0,0,0,0,0|3,0,0]=4 103 B10R0.1 CCSCCNC(=O)COC WXVL_AK00494SB0090 [1,0,0,0,0,0|3,0,0]=4 104 B10R0.1 CCSCCNC(=O)CSC WXVL_AK00494SB1267 [1,0,0,0,0,0|3,0,0]=4 105 B10R0.1 CCSCCNC(=O)CSC WXVL_AK00494SB1267 [1,0,0,0,0,0|3,0,0]=4 106 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [1,0,0,0,0,0|3,0,0]=4 107 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [1,0,0,0,0,0|3,0,0]=4 108 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [1,0,0,0,0,0|3,0,0]=4 109 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [1,0,0,0,0,0|3,0,0]=4 110 B10R0.1 COCCCNC(=O)COC WXVL_AK00637SB0090 [1,0,0,0,0,0|3,0,0]=4 111 B10R0.1 COCCCNC(=O)COC WXVL_AK00637SB0090 [1,0,0,0,0,0|3,0,0]=4 112 B10R0.1 COCCCNC(=O)CSC WXVL_AK00637SB1267 [1,0,0,0,0,0|3,0,0]=4 113 B10R0.1 COCCCNC(=O)CSC WXVL_AK00637SB1267 [1,0,0,0,0,0|3,0,0]=4 114 B10R0.1 CSCC(=O)NCCCCO WXVL_AK0075SB1267 [1,0,0,0,0,0|3,0,0]=4 115 B10R0.1 CSCC(=O)NCCCCO WXVL_AK0075SB1267 [1,0,0,0,0,0|3,0,0]=4 116 B10R0.1 CSCCCNC(=O)CSC WXVL_AK0965SB1267 [1,0,0,0,0,0|3,0,0]=4 117 B10R0.1 CSCCCNC(=O)CSC WXVL_AK0965SB1267 [1,0,0,0,0,0|3,0,0]=4 118 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [1,0,0,0,0,0|1,0,2]=4 119 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [1,0,0,0,0,0|1,0,2]=4 120 B10R0.74 C#CCCCCNC(=O)CC WXVL_AK00614SB0064 [1,0,0,0,0,0|1,0,2]=4 121 B10R0.74 C#CCCCCNC(=O)CC WXVL_AK00614SB0064 [1,0,0,0,0,0|1,0,2]=4 122 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,0,0,0,0,0|2,0,0]=3 123 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,0,0,0,0,0|2,0,0]=3 124 B10R0.74 CCC(=O)NCCNCCO WXVL_AK0954SB0064 [1,0,0,0,0,0|3,0,0]=4 125 B10R0.74 CCC(=O)NCCNCCO WXVL_AK0954SB0064 [1,0,0,0,0,0|3,0,0]=4 126 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [1,0,0,0,0,0|2,0,1]=4 127 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [1,0,0,0,0,0|2,0,1]=4 128 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [1,0,0,0,0,0|2,0,0]=3 129 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [1,0,0,0,0,0|2,0,0]=3 130 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,0,0,0,0,0|1,0,0]=2 131 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,0,0,0,0,0|1,0,0]=2 132 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [1,0,0,0,0,0|2,0,0]=3 133 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [1,0,0,0,0,0|2,0,0]=3 134 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [1,0,0,0,0,0|2,0,0]=3 135 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [1,0,0,0,0,0|2,0,0]=3 136 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [1,0,0,0,0,0|3,0,0]=4 137 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [1,0,0,0,0,0|3,0,0]=4 138 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [1,0,0,0,0,0|3,0,0]=4 139 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [1,0,0,0,0,0|3,0,0]=4 140 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [1,0,0,0,0,0|3,0,0]=4 141 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [1,0,0,0,0,0|3,0,0]=4 142 B12R0.1 C#CCC(=O)NCCCCCCO WXVL_AK0751SB3070 [0,1,0,0,0,0|1,0,2]=4 143 B12R0.1 C#CCC(=O)NCCCCCCO WXVL_AK0751SB3070 [0,1,0,0,0,0|1,0,2]=4 144 B12R0.1 C#CCC(=O)NCCOCCCC WXVL_AK9674SB3070 [0,1,0,0,0,0|1,0,2]=4 145 B12R0.1 C#CCC(=O)NCCOCCCC WXVL_AK9674SB3070 [0,1,0,0,0,0|1,0,2]=4 146 B12R0.1 C/C=C/C(=O)NCCCCCCO WXVL_AK0751SB0340 [0,1,0,0,0,0|1,0,2]=4 147 B12R0.1 C/C=C/C(=O)NCCCCCCO WXVL_AK0751SB0340 [0,1,0,0,0,0|1,0,2]=4 148 B12R0.1 C/C=C/C(=O)NCCOCCCC WXVL_AK9674SB0340 [0,1,0,0,0,0|1,0,2]=4 149 B12R0.1 C/C=C/C(=O)NCCOCCCC WXVL_AK9674SB0340 [0,1,0,0,0,0|1,0,2]=4 150 B12R0.1 C=CCC(=O)NCCCCCCO WXVL_AK0751SB2732 [0,1,0,0,0,0|1,0,2]=4 151 B12R0.1 C=CCC(=O)NCCCCCCO WXVL_AK0751SB2732 [0,1,0,0,0,0|1,0,2]=4 152 B12R0.1 C=CCC(=O)NCCOCCCC WXVL_AK9674SB2732 [0,1,0,0,0,0|1,0,2]=4 153 B12R0.1 C=CCC(=O)NCCOCCCC WXVL_AK9674SB2732 [0,1,0,0,0,0|1,0,2]=4 154 B12R0.1 CC#CC(=O)NCCCCCCO WXVL_AK0751SB1240 [0,1,0,0,0,0|1,0,2]=4 155 B12R0.1 CC#CC(=O)NCCCCCCO WXVL_AK0751SB1240 [0,1,0,0,0,0|1,0,2]=4 156 B12R0.1 CC#CC(=O)NCCOCCCC WXVL_AK9674SB1240 [0,1,0,0,0,0|1,0,2]=4 157 B12R0.1 CC#CC(=O)NCCOCCCC WXVL_AK9674SB1240 [0,1,0,0,0,0|1,0,2]=4 158 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,1,0,0,0,0|1,0,0]=2 159 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,1,0,0,0,0|1,0,0]=2 160 B12R0.1 CCCC(=O)NCCOCCOC WXVL_AK2206SB0073 [0,1,0,0,0,0|2,0,0]=3 161 B12R0.1 CCCC(=O)NCCOCCOC WXVL_AK2206SB0073 [0,1,0,0,0,0|2,0,0]=3 162 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,1,0,0,0,0|2,0,0]=3 163 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,1,0,0,0,0|2,0,0]=3 164 B12R0.1 CCCCOCCNC(=O)CC#N WXVL_AK9674SB0057 [0,1,0,0,0,0|2,0,1]=4 165 B12R0.1 CCCCOCCNC(=O)CC#N WXVL_AK9674SB0057 [0,1,0,0,0,0|2,0,1]=4 166 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,1,0,0,0,0|1,0,0]=2 167 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,1,0,0,0,0|1,0,0]=2 168 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,1,0,0,0,0|2,0,0]=3 169 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,1,0,0,0,0|2,0,0]=3 170 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,1,0,0,0,0|2,0,0]=3 171 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,1,0,0,0,0|2,0,0]=3 172 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,1,0,0,0,0|2,0,0]=3 173 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,1,0,0,0,0|2,0,0]=3 174 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,1,0,0,0,0|2,0,0]=3 175 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,1,0,0,0,0|2,0,0]=3 176 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,1,0,0,0,0|2,0,0]=3 177 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,1,0,0,0,0|2,0,0]=3 178 B12R0.1 COCCOCCNC(=O)COC WXVL_AK2206SB0090 [0,1,0,0,0,0|3,0,0]=4 179 B12R0.1 COCCOCCNC(=O)COC WXVL_AK2206SB0090 [0,1,0,0,0,0|3,0,0]=4 180 B12R0.1 COCCOCCNC(=O)CSC WXVL_AK2206SB1267 [0,1,0,0,0,0|3,0,0]=4 181 B12R0.1 COCCOCCNC(=O)CSC WXVL_AK2206SB1267 [0,1,0,0,0,0|3,0,0]=4 182 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,1,0,0,0,0|2,0,0]=3 183 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,1,0,0,0,0|2,0,0]=3 184 B12R0.1 N#CCC(=O)NCCCCCCO WXVL_AK0751SB0057 [0,1,0,0,0,0|2,0,1]=4 185 B12R0.1 N#CCC(=O)NCCCCCCO WXVL_AK0751SB0057 [0,1,0,0,0,0|2,0,1]=4 186 B12R0.4 C#CCCCCNC(=O)CC(C)C WXVL_AK00614SB0063 [0,1,0,0,0,0|1,0,2]=4 187 B12R0.4 C#CCCCCNC(=O)CC(C)C WXVL_AK00614SB0063 [0,1,0,0,0,0|1,0,2]=4 188 B12R0.4 C#CCCCCNC(=O)CC(C)O WXVL_AK00614SB3643 [0,1,0,0,0,0|1,0,2]=4 189 B12R0.4 C#CCCCCNC(=O)CC(C)O WXVL_AK00614SB3643 [0,1,0,0,0,0|1,0,2]=4 190 B12R0.4 CC(C)CC(=O)NCCCCCO WXVL_AK0077SB0063 [0,1,0,0,0,0|2,0,0]=3 191 B12R0.4 CC(C)CC(=O)NCCCCCO WXVL_AK0077SB0063 [0,1,0,0,0,0|2,0,0]=3 192 B12R0.4 CC(C)CC(=O)NCCNCCO WXVL_AK0954SB0063 [0,1,0,0,0,0|3,0,0]=4 193 B12R0.4 CC(C)CC(=O)NCCNCCO WXVL_AK0954SB0063 [0,1,0,0,0,0|3,0,0]=4 194 B12R0.4 CC(C)NC(=O)CCCCCCBr WXVL_AK0030SB1386 [0,1,0,0,0,0|3,0,0]=4 195 B12R0.4 CC(C)NC(=O)CCCCCCBr WXVL_AK0030SB1386 [0,1,0,0,0,0|3,0,0]=4 196 B12R0.4 CC(O)CC(=O)NCCCCCO WXVL_AK0077SB3643 [0,1,0,0,0,0|2,0,0]=3 197 B12R0.4 CC(O)CC(=O)NCCCCCO WXVL_AK0077SB3643 [0,1,0,0,0,0|2,0,0]=3 198 B12R0.4 CC(O)CC(=O)NCCNCCO WXVL_AK0954SB3643 [0,1,0,0,0,0|3,0,0]=4 199 B12R0.4 CC(O)CC(=O)NCCNCCO WXVL_AK0954SB3643 [0,1,0,0,0,0|3,0,0]=4 200 B12R0.4 CCCCC/C=C/C(=O)NC(C)C WXVL_AK0030SB3331 [0,1,0,0,0,0|2,0,1]=4 201 B12R0.4 CCCCC/C=C/C(=O)NC(C)C WXVL_AK0030SB3331 [0,1,0,0,0,0|2,0,1]=4 202 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [0,1,0,0,0,0|2,0,0]=3 203 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [0,1,0,0,0,0|2,0,0]=3 204 B12R0.4 CCCCCCNC(=O)C=C(C)C WXVL_AK0286SB0342 [0,1,0,0,0,0|1,0,2]=4 205 B12R0.4 CCCCCCNC(=O)C=C(C)C WXVL_AK0286SB0342 [0,1,0,0,0,0|1,0,2]=4 206 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [0,1,0,0,0,0|1,0,0]=2 207 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [0,1,0,0,0,0|1,0,0]=2 208 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [0,1,0,0,0,0|1,0,0]=2 209 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [0,1,0,0,0,0|1,0,0]=2 210 B12R0.4 CCCCCCNC(=O)CN(C)C WXVL_AK0286SB0085 [0,1,0,0,0,0|2,0,0]=3 211 B12R0.4 CCCCCCNC(=O)CN(C)C WXVL_AK0286SB0085 [0,1,0,0,0,0|2,0,0]=3 212 B12R0.4 CCOCCCNC(=O)CC(C)C WXVL_AK0072SB0063 [0,1,0,0,0,0|2,0,0]=3 213 B12R0.4 CCOCCCNC(=O)CC(C)C WXVL_AK0072SB0063 [0,1,0,0,0,0|2,0,0]=3 214 B12R0.4 CCOCCCNC(=O)CC(C)O WXVL_AK0072SB3643 [0,1,0,0,0,0|2,0,0]=3 215 B12R0.4 CCOCCCNC(=O)CC(C)O WXVL_AK0072SB3643 [0,1,0,0,0,0|2,0,0]=3 216 B12R0.4 CCOCCCNC(=O)CN(C)C WXVL_AK0072SB0085 [0,1,0,0,0,0|3,0,0]=4 217 B12R0.4 CCOCCCNC(=O)CN(C)C WXVL_AK0072SB0085 [0,1,0,0,0,0|3,0,0]=4 218 B12R0.4 CN(C)CC(=O)NCCCCCO WXVL_AK0077SB0085 [0,1,0,0,0,0|3,0,0]=4 219 B12R0.4 CN(C)CC(=O)NCCCCCO WXVL_AK0077SB0085 [0,1,0,0,0,0|3,0,0]=4 220 B12R0.49 C#CCCCCNC(=O)C(C)CC WXVL_AK00614SB0054 [0,1,0,0,0,0|1,0,2]=4 221 B12R0.49 C#CCCCCNC(=O)C(C)CC WXVL_AK00614SB0054 [0,1,0,0,0,0|1,0,2]=4 222 B12R0.49 C#CCCCCNC(=O)[C@@H](O)CC WXVL_AK00614SB3573 [0,1,0,0,0,0|1,0,2]=4 223 B12R0.49 C#CCCCCNC(=O)[C@@H](O)CC WXVL_AK00614SB3573 [0,1,0,0,0,0|1,0,2]=4 224 B12R0.49 C#CCCCCNC(=O)[C@H](C)CC WXVL_AK00614SB00054 [0,1,0,0,0,0|1,0,2]=4 225 B12R0.49 C#CCCCCNC(=O)[C@H](C)CC WXVL_AK00614SB00054 [0,1,0,0,0,0|1,0,2]=4 226 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC WXVL_AK0286SB0343 [0,1,0,0,0,0|1,0,2]=4 227 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC WXVL_AK0286SB0343 [0,1,0,0,0,0|1,0,2]=4 228 B12R0.49 CCC(=O)C(=O)NCCCCCO WXVL_AK0077SB0344 [0,1,0,0,0,0|2,0,1]=4 229 B12R0.49 CCC(=O)C(=O)NCCCCCO WXVL_AK0077SB0344 [0,1,0,0,0,0|2,0,1]=4 230 B12R0.49 CCC(C)C(=O)NCCCCCO WXVL_AK0077SB0054 [0,1,0,0,0,0|2,0,0]=3 231 B12R0.49 CCC(C)C(=O)NCCCCCO WXVL_AK0077SB0054 [0,1,0,0,0,0|2,0,0]=3 232 B12R0.49 CCC(C)C(=O)NCCNCCO WXVL_AK0954SB0054 [0,1,0,0,0,0|3,0,0]=4 233 B12R0.49 CCC(C)C(=O)NCCNCCO WXVL_AK0954SB0054 [0,1,0,0,0,0|3,0,0]=4 234 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,1,0,0,0,0|1,0,1]=3 235 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,1,0,0,0,0|1,0,1]=3 236 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [0,1,0,0,0,0|1,0,0]=2 237 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [0,1,0,0,0,0|1,0,0]=2 238 B12R0.49 CCCCCCNC(=O)[C@@H](C)OC WXVL_AK0286SB2926 [0,1,0,0,0,0|2,0,0]=3 239 B12R0.49 CCCCCCNC(=O)[C@@H](C)OC WXVL_AK0286SB2926 [0,1,0,0,0,0|2,0,0]=3 240 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [0,1,0,0,0,0|1,0,0]=2 241 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [0,1,0,0,0,0|1,0,0]=2 242 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [0,1,0,0,0,0|1,0,0]=2 243 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [0,1,0,0,0,0|1,0,0]=2 244 B12R0.49 CCOCCCNC(=O)C(=O)CC WXVL_AK0072SB0344 [0,1,0,0,0,0|2,0,1]=4 245 B12R0.49 CCOCCCNC(=O)C(=O)CC WXVL_AK0072SB0344 [0,1,0,0,0,0|2,0,1]=4 246 B12R0.49 CCOCCCNC(=O)C(C)CC WXVL_AK0072SB0054 [0,1,0,0,0,0|2,0,0]=3 247 B12R0.49 CCOCCCNC(=O)C(C)CC WXVL_AK0072SB0054 [0,1,0,0,0,0|2,0,0]=3 248 B12R0.49 CCOCCCNC(=O)[C@@H](C)OC WXVL_AK0072SB2926 [0,1,0,0,0,0|3,0,0]=4 249 B12R0.49 CCOCCCNC(=O)[C@@H](C)OC WXVL_AK0072SB2926 [0,1,0,0,0,0|3,0,0]=4 250 B12R0.49 CCOCCCNC(=O)[C@@H](O)CC WXVL_AK0072SB3573 [0,1,0,0,0,0|2,0,0]=3 251 B12R0.49 CCOCCCNC(=O)[C@@H](O)CC WXVL_AK0072SB3573 [0,1,0,0,0,0|2,0,0]=3 252 B12R0.49 CCOCCCNC(=O)[C@H](C)CC WXVL_AK0072SB00054 [0,1,0,0,0,0|2,0,0]=3 253 B12R0.49 CCOCCCNC(=O)[C@H](C)CC WXVL_AK0072SB00054 [0,1,0,0,0,0|2,0,0]=3 254 B12R0.49 CC[C@@H](C)C(=O)NCCCCCO WXVL_AK0077SB00054 [0,1,0,0,0,0|2,0,0]=3 255 B12R0.49 CC[C@@H](C)C(=O)NCCCCCO WXVL_AK0077SB00054 [0,1,0,0,0,0|2,0,0]=3 256 B12R0.49 CC[C@@H](C)C(=O)NCCNCCO WXVL_AK0954SB00054 [0,1,0,0,0,0|3,0,0]=4 257 B12R0.49 CC[C@@H](C)C(=O)NCCNCCO WXVL_AK0954SB00054 [0,1,0,0,0,0|3,0,0]=4 258 B12R0.49 CC[C@H](O)C(=O)NCCCCCO WXVL_AK0077SB3573 [0,1,0,0,0,0|2,0,0]=3 259 B12R0.49 CC[C@H](O)C(=O)NCCCCCO WXVL_AK0077SB3573 [0,1,0,0,0,0|2,0,0]=3 260 B12R0.49 CC[C@H](O)C(=O)NCCNCCO WXVL_AK0954SB3573 [0,1,0,0,0,0|3,0,0]=4 261 B12R0.49 CC[C@H](O)C(=O)NCCNCCO WXVL_AK0954SB3573 [0,1,0,0,0,0|3,0,0]=4 262 B12R0.49 CO[C@H](C)C(=O)NCCCCCO WXVL_AK0077SB2926 [0,1,0,0,0,0|3,0,0]=4 263 B12R0.49 CO[C@H](C)C(=O)NCCCCCO WXVL_AK0077SB2926 [0,1,0,0,0,0|3,0,0]=4 264 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [0,1,0,0,0,0|2,0,0]=3 265 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [0,1,0,0,0,0|2,0,0]=3 266 B12R0.114 C=CCCCCN(C)C(=O)CCC WXVL_AN4222SB0073 [0,1,0,0,0,0|1,0,2]=4 267 B12R0.114 C=CCCCCN(C)C(=O)CCC WXVL_AN4222SB0073 [0,1,0,0,0,0|1,0,2]=4 268 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [0,1,0,0,0,0|3,0,0]=4 269 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [0,1,0,0,0,0|3,0,0]=4 270 B12R0.206 C#CCCC(=O)NCCCCCC WXVL_AK0286SB2189 [0,1,0,0,0,0|1,0,1]=3 271 B12R0.206 C#CCCC(=O)NCCCCCC WXVL_AK0286SB2189 [0,1,0,0,0,0|1,0,1]=3 272 B12R0.206 C#CCCC(=O)NCCCCCO WXVL_AK0077SB2189 [0,1,0,0,0,0|2,0,1]=4 273 B12R0.206 C#CCCC(=O)NCCCCCO WXVL_AK0077SB2189 [0,1,0,0,0,0|2,0,1]=4 274 B12R0.206 C#CCCC(=O)NCCCOCC WXVL_AK0072SB2189 [0,1,0,0,0,0|2,0,1]=4 275 B12R0.206 C#CCCC(=O)NCCCOCC WXVL_AK0072SB2189 [0,1,0,0,0,0|2,0,1]=4 276 B12R0.206 C#CCCCCNC(=O)CCOC WXVL_AK00614SB0156 [0,1,0,0,0,0|1,0,2]=4 277 B12R0.206 C#CCCCCNC(=O)CCOC WXVL_AK00614SB0156 [0,1,0,0,0,0|1,0,2]=4 278 B12R0.206 C#CCCCCNC(=O)CCSC WXVL_AK00614SB0361 [0,1,0,0,0,0|1,0,2]=4 279 B12R0.206 C#CCCCCNC(=O)CCSC WXVL_AK00614SB0361 [0,1,0,0,0,0|1,0,2]=4 280 B12R0.206 C#CCCCCNC(=O)COCC WXVL_AK00614SB0091 [0,1,0,0,0,0|1,0,2]=4 281 B12R0.206 C#CCCCCNC(=O)COCC WXVL_AK00614SB0091 [0,1,0,0,0,0|1,0,2]=4 282 B12R0.206 C#CCCCCNC(=O)CSCC WXVL_AK00614SB0002 [0,1,0,0,0,0|1,0,2]=4 283 B12R0.206 C#CCCCCNC(=O)CSCC WXVL_AK00614SB0002 [0,1,0,0,0,0|1,0,2]=4 284 B12R0.206 C=CCCC(=O)NCCCCCC WXVL_AK0286SB1035 [0,1,0,0,0,0|1,0,1]=3 285 B12R0.206 C=CCCC(=O)NCCCCCC WXVL_AK0286SB1035 [0,1,0,0,0,0|1,0,1]=3 286 B12R0.206 C=CCCC(=O)NCCCCCO WXVL_AK0077SB1035 [0,1,0,0,0,0|2,0,1]=4 287 B12R0.206 C=CCCC(=O)NCCCCCO WXVL_AK0077SB1035 [0,1,0,0,0,0|2,0,1]=4 288 B12R0.206 C=CCCC(=O)NCCCOCC WXVL_AK0072SB1035 [0,1,0,0,0,0|2,0,1]=4 289 B12R0.206 C=CCCC(=O)NCCCOCC WXVL_AK0072SB1035 [0,1,0,0,0,0|2,0,1]=4 290 B12R0.206 C=CCNC(=O)CCCCCCC WXVL_AK00561SB0393 [0,1,0,0,0,0|1,0,2]=4 291 B12R0.206 C=CCNC(=O)CCCCCCC WXVL_AK00561SB0393 [0,1,0,0,0,0|1,0,2]=4 292 B12R0.206 CCCCC/C=C/C(=O)NCCC WXVL_AK00504SB3331 [0,1,0,0,0,0|1,0,1]=3 293 B12R0.206 CCCCC/C=C/C(=O)NCCC WXVL_AK00504SB3331 [0,1,0,0,0,0|1,0,1]=3 294 B12R0.206 CCCCC/C=C/C(=O)NCCF WXVL_AK00466SB3331 [0,1,0,0,0,0|2,0,1]=4 295 B12R0.206 CCCCC/C=C/C(=O)NCCF WXVL_AK00466SB3331 [0,1,0,0,0,0|2,0,1]=4 296 B12R0.206 CCCCCCCC(=O)NCC#N WXVL_AK0683SB0393 [0,1,0,0,0,0|2,0,1]=4 297 B12R0.206 CCCCCCCC(=O)NCC#N WXVL_AK0683SB0393 [0,1,0,0,0,0|2,0,1]=4 298 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,1,0,0,0,0|1,0,0]=2 299 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,1,0,0,0,0|1,0,0]=2 300 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [0,1,0,0,0,0|2,0,0]=3 301 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [0,1,0,0,0,0|2,0,0]=3 302 B12R0.206 CCCCCCNC(=O)/C=C/CBr WXVL_AK0286SB0424 [0,1,0,0,0,0|1,0,2]=4 303 B12R0.206 CCCCCCNC(=O)/C=C/CBr WXVL_AK0286SB0424 [0,1,0,0,0,0|1,0,2]=4 304 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,1,0,0,0,0|1,0,0]=2 305 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,1,0,0,0,0|1,0,0]=2 306 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,1,0,0,0,0|1,0,0]=2 307 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,1,0,0,0,0|1,0,0]=2 308 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,1,0,0,0,0|1,0,0]=2 309 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,1,0,0,0,0|1,0,0]=2 310 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [0,1,0,0,0,0|1,0,0]=2 311 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [0,1,0,0,0,0|1,0,0]=2 312 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [0,1,0,0,0,0|2,0,0]=3 313 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [0,1,0,0,0,0|2,0,0]=3 314 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [0,1,0,0,0,0|2,0,0]=3 315 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [0,1,0,0,0,0|2,0,0]=3 316 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [0,1,0,0,0,0|2,0,0]=3 317 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [0,1,0,0,0,0|2,0,0]=3 318 B12R0.206 CCOCC(=O)NCCNCCO WXVL_AK0954SB0091 [0,1,0,0,0,0|3,0,0]=4 319 B12R0.206 CCOCC(=O)NCCNCCO WXVL_AK0954SB0091 [0,1,0,0,0,0|3,0,0]=4 320 B12R0.206 CCOCCCNC(=O)CCOC WXVL_AK0072SB0156 [0,1,0,0,0,0|2,0,0]=3 321 B12R0.206 CCOCCCNC(=O)CCOC WXVL_AK0072SB0156 [0,1,0,0,0,0|2,0,0]=3 322 B12R0.206 CCOCCCNC(=O)CCSC WXVL_AK0072SB0361 [0,1,0,0,0,0|2,0,0]=3 323 B12R0.206 CCOCCCNC(=O)CCSC WXVL_AK0072SB0361 [0,1,0,0,0,0|2,0,0]=3 324 B12R0.206 CCOCCCNC(=O)COCC WXVL_AK0072SB0091 [0,1,0,0,0,0|2,0,0]=3 325 B12R0.206 CCOCCCNC(=O)COCC WXVL_AK0072SB0091 [0,1,0,0,0,0|2,0,0]=3 326 B12R0.206 CCOCCCNC(=O)CSCC WXVL_AK0072SB0002 [0,1,0,0,0,0|2,0,0]=3 327 B12R0.206 CCOCCCNC(=O)CSCC WXVL_AK0072SB0002 [0,1,0,0,0,0|2,0,0]=3 328 B12R0.206 CCOCCCNC(=O)NCCCl WXVL_AK0072YV0092 [0,1,0,0,0,0|3,0,0]=4 329 B12R0.206 CCOCCCNC(=O)NCCCl WXVL_AK0072YV0092 [0,1,0,0,0,0|3,0,0]=4 330 B12R0.206 CCSCC(=O)NCCCCCO WXVL_AK0077SB0002 [0,1,0,0,0,0|2,0,0]=3 331 B12R0.206 CCSCC(=O)NCCCCCO WXVL_AK0077SB0002 [0,1,0,0,0,0|2,0,0]=3 332 B12R0.206 CCSCC(=O)NCCNCCO WXVL_AK0954SB0002 [0,1,0,0,0,0|3,0,0]=4 333 B12R0.206 CCSCC(=O)NCCNCCO WXVL_AK0954SB0002 [0,1,0,0,0,0|3,0,0]=4 334 B12R0.206 COCCC(=O)NCCCCCO WXVL_AK0077SB0156 [0,1,0,0,0,0|2,0,0]=3 335 B12R0.206 COCCC(=O)NCCCCCO WXVL_AK0077SB0156 [0,1,0,0,0,0|2,0,0]=3 336 B12R0.206 COCCC(=O)NCCNCCO WXVL_AK0954SB0156 [0,1,0,0,0,0|3,0,0]=4 337 B12R0.206 COCCC(=O)NCCNCCO WXVL_AK0954SB0156 [0,1,0,0,0,0|3,0,0]=4 338 B12R0.206 CSCCC(=O)NCCCCCO WXVL_AK0077SB0361 [0,1,0,0,0,0|2,0,0]=3 339 B12R0.206 CSCCC(=O)NCCCCCO WXVL_AK0077SB0361 [0,1,0,0,0,0|2,0,0]=3 340 B12R0.206 CSCCC(=O)NCCNCCO WXVL_AK0954SB0361 [0,1,0,0,0,0|3,0,0]=4 341 B12R0.206 CSCCC(=O)NCCNCCO WXVL_AK0954SB0361 [0,1,0,0,0,0|3,0,0]=4 342 B12R0.206 O=C(CCCCCCBr)NCCF WXVL_AK00466SB1386 [0,1,0,0,0,0|3,0,0]=4 343 B12R0.206 O=C(CCCCCCBr)NCCF WXVL_AK00466SB1386 [0,1,0,0,0,0|3,0,0]=4 344 B12R0.206 O=C(NCCCl)NCCCCCO WXVL_AK0077YV0092 [0,1,0,0,0,0|3,0,0]=4 345 B12R0.206 O=C(NCCCl)NCCCCCO WXVL_AK0077YV0092 [0,1,0,0,0,0|3,0,0]=4 346 B12R0.276 CCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0073 [0,1,0,0,0,0|2,0,1]=4 347 B12R0.276 CCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0073 [0,1,0,0,0,0|2,0,1]=4 348 B12R0.277 CCCC(=O)NCCCCN(C)C WXVL_AK0097SB0073 [0,1,0,0,0,0|2,0,0]=3 349 B12R0.277 CCCC(=O)NCCCCN(C)C WXVL_AK0097SB0073 [0,1,0,0,0,0|2,0,0]=3 350 B12R0.277 COCC(=O)NCCCCN(C)C WXVL_AK0097SB0090 [0,1,0,0,0,0|3,0,0]=4 351 B12R0.277 COCC(=O)NCCCCN(C)C WXVL_AK0097SB0090 [0,1,0,0,0,0|3,0,0]=4 352 B12R0.277 CSCC(=O)NCCCCN(C)C WXVL_AK0097SB1267 [0,1,0,0,0,0|3,0,0]=4 353 B12R0.277 CSCC(=O)NCCCCN(C)C WXVL_AK0097SB1267 [0,1,0,0,0,0|3,0,0]=4 354 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,1,0,0,0,0|2,0,1]=4 355 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,1,0,0,0,0|2,0,1]=4 356 B12R0.285 CCCC(=O)NCCN(C)CCN WXVL_AK4182SB0073 [0,1,0,0,0,0|3,0,0]=4 357 B12R0.285 CCCC(=O)NCCN(C)CCN WXVL_AK4182SB0073 [0,1,0,0,0,0|3,0,0]=4 358 B12R0.434 CCCCCCNS(=O)(=O)CCBr WXVL_AK0286HU0461 [0,1,0,0,0,0|3,0,0]=4 359 B12R0.434 CCCCCCNS(=O)(=O)CCBr WXVL_AK0286HU0461 [0,1,0,0,0,0|3,0,0]=4 360 B12R0.434 CCCCCCNS(=O)(=O)CCC WXVL_AK0286HU0030 [0,1,0,0,0,0|2,0,0]=3 361 B12R0.434 CCCCCCNS(=O)(=O)CCC WXVL_AK0286HU0030 [0,1,0,0,0,0|2,0,0]=3 362 B12R0.434 CCCCCCNS(=O)(=O)CCCl WXVL_AK0286HU0029 [0,1,0,0,0,0|3,0,0]=4 363 B12R0.434 CCCCCCNS(=O)(=O)CCCl WXVL_AK0286HU0029 [0,1,0,0,0,0|3,0,0]=4 364 B12R0.434 CCCS(=O)(=O)NCCCCCO WXVL_AK0077HU0030 [0,1,0,0,0,0|3,0,0]=4 365 B12R0.434 CCCS(=O)(=O)NCCCCCO WXVL_AK0077HU0030 [0,1,0,0,0,0|3,0,0]=4 366 B12R0.434 CCCS(=O)(=O)NCCCOCC WXVL_AK0072HU0030 [0,1,0,0,0,0|3,0,0]=4 367 B12R0.434 CCCS(=O)(=O)NCCCOCC WXVL_AK0072HU0030 [0,1,0,0,0,0|3,0,0]=4 368 B12R1.32 C#CCC(=O)NC1CCCCC1 WXVL_AK00480SB3070 [0,0,0,1,0,0|1,0,2]=4 369 B12R1.32 C#CCC(=O)NC1CCCCC1 WXVL_AK00480SB3070 [0,0,0,1,0,0|1,0,2]=4 370 B12R1.32 C/C=C/C(=O)NC1CCCCC1 WXVL_AK00480SB0340 [0,0,0,1,0,0|1,0,2]=4 371 B12R1.32 C/C=C/C(=O)NC1CCCCC1 WXVL_AK00480SB0340 [0,0,0,1,0,0|1,0,2]=4 372 B12R1.32 C=CCC(=O)NC1CCCCC1 WXVL_AK00480SB2732 [0,0,0,1,0,0|1,0,2]=4 373 B12R1.32 C=CCC(=O)NC1CCCCC1 WXVL_AK00480SB2732 [0,0,0,1,0,0|1,0,2]=4 374 B12R1.32 CC#CC(=O)NC1CCCCC1 WXVL_AK00480SB1240 [0,0,0,1,0,0|1,0,2]=4 375 B12R1.32 CC#CC(=O)NC1CCCCC1 WXVL_AK00480SB1240 [0,0,0,1,0,0|1,0,2]=4 376 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [0,0,0,1,0,0|1,0,0]=2 377 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [0,0,0,1,0,0|1,0,0]=2 378 B12R1.32 CCCC(=O)NC1CCCOC1 WXVL_AK1073SB0073 [0,0,0,1,0,0|2,0,0]=3 379 B12R1.32 CCCC(=O)NC1CCCOC1 WXVL_AK1073SB0073 [0,0,0,1,0,0|2,0,0]=3 380 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [0,0,0,1,0,0|3,0,0]=4 381 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [0,0,0,1,0,0|3,0,0]=4 382 B12R1.32 CCNC(=O)CC1CCOCC1 WXVL_AK00476SB0194 [0,0,0,1,0,0|3,0,0]=4 383 B12R1.32 CCNC(=O)CC1CCOCC1 WXVL_AK00476SB0194 [0,0,0,1,0,0|3,0,0]=4 384 B12R1.32 CCNC(=O)CN1CCCCC1 WXVL_AK00476SB0186 [0,0,0,1,0,0|3,0,0]=4 385 B12R1.32 CCNC(=O)CN1CCCCC1 WXVL_AK00476SB0186 [0,0,0,1,0,0|3,0,0]=4 386 B12R1.32 COCC(=O)NC1CCCCC1 WXVL_AK00480SB0090 [0,0,0,1,0,0|2,0,0]=3 387 B12R1.32 COCC(=O)NC1CCCCC1 WXVL_AK00480SB0090 [0,0,0,1,0,0|2,0,0]=3 388 B12R1.32 COCC(=O)NC1CCCOC1 WXVL_AK1073SB0090 [0,0,0,1,0,0|3,0,0]=4 389 B12R1.32 COCC(=O)NC1CCCOC1 WXVL_AK1073SB0090 [0,0,0,1,0,0|3,0,0]=4 390 B12R1.32 CSCC(=O)NC1CCCCC1 WXVL_AK00480SB1267 [0,0,0,1,0,0|2,0,0]=3 391 B12R1.32 CSCC(=O)NC1CCCCC1 WXVL_AK00480SB1267 [0,0,0,1,0,0|2,0,0]=3 392 B12R1.32 CSCC(=O)NC1CCCOC1 WXVL_AK1073SB1267 [0,0,0,1,0,0|3,0,0]=4 393 B12R1.32 CSCC(=O)NC1CCCOC1 WXVL_AK1073SB1267 [0,0,0,1,0,0|3,0,0]=4 394 B12R1.32 N#CCC(=O)NC1CCCCC1 WXVL_AK00480SB0057 [0,0,0,1,0,0|2,0,1]=4 395 B12R1.32 N#CCC(=O)NC1CCCCC1 WXVL_AK00480SB0057 [0,0,0,1,0,0|2,0,1]=4 396 B12R1.51 C#CCC(=O)NCC1CCCC1 WXVL_AK0303SB3070 [0,0,0,1,0,0|1,0,2]=4 397 B12R1.51 C#CCC(=O)NCC1CCCC1 WXVL_AK0303SB3070 [0,0,0,1,0,0|1,0,2]=4 398 B12R1.51 C/C=C/C(=O)NCC1CCCC1 WXVL_AK0303SB0340 [0,0,0,1,0,0|1,0,2]=4 399 B12R1.51 C/C=C/C(=O)NCC1CCCC1 WXVL_AK0303SB0340 [0,0,0,1,0,0|1,0,2]=4 400 B12R1.51 C=CCC(=O)NCC1CCCC1 WXVL_AK0303SB2732 [0,0,0,1,0,0|1,0,2]=4 401 B12R1.51 C=CCC(=O)NCC1CCCC1 WXVL_AK0303SB2732 [0,0,0,1,0,0|1,0,2]=4 402 B12R1.51 CC#CC(=O)NCC1CCCC1 WXVL_AK0303SB1240 [0,0,0,1,0,0|1,0,2]=4 403 B12R1.51 CC#CC(=O)NCC1CCCC1 WXVL_AK0303SB1240 [0,0,0,1,0,0|1,0,2]=4 404 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [0,0,0,1,0,0|1,0,0]=2 405 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [0,0,0,1,0,0|1,0,0]=2 406 B12R1.51 CCCC(=O)NCC1CCOC1 WXVL_AK00634SB0073 [0,0,0,1,0,0|2,0,0]=3 407 B12R1.51 CCCC(=O)NCC1CCOC1 WXVL_AK00634SB0073 [0,0,0,1,0,0|2,0,0]=3 408 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0073 [0,0,0,1,0,0|2,0,0]=3 409 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0073 [0,0,0,1,0,0|2,0,0]=3 410 B12R1.51 CCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0073 [0,0,0,1,0,0|2,0,0]=3 411 B12R1.51 CCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0073 [0,0,0,1,0,0|2,0,0]=3 412 B12R1.51 CCNC(=O)/C=C/C1CCCC1 WXVL_AK00476SB5314 [0,0,0,1,0,0|2,0,1]=4 413 B12R1.51 CCNC(=O)/C=C/C1CCCC1 WXVL_AK00476SB5314 [0,0,0,1,0,0|2,0,1]=4 414 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [0,0,0,1,0,0|2,0,0]=3 415 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [0,0,0,1,0,0|2,0,0]=3 416 B12R1.51 CCNC(=O)CCN1CCCC1 WXVL_AK00476SB0766 [0,0,0,1,0,0|3,0,0]=4 417 B12R1.51 CCNC(=O)CCN1CCCC1 WXVL_AK00476SB0766 [0,0,0,1,0,0|3,0,0]=4 418 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [0,0,0,1,0,0|3,0,0]=4 419 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [0,0,0,1,0,0|3,0,0]=4 420 B12R1.51 COCC(=O)NCC1CCCC1 WXVL_AK0303SB0090 [0,0,0,1,0,0|2,0,0]=3 421 B12R1.51 COCC(=O)NCC1CCCC1 WXVL_AK0303SB0090 [0,0,0,1,0,0|2,0,0]=3 422 B12R1.51 COCC(=O)NCC1CCOC1 WXVL_AK00634SB0090 [0,0,0,1,0,0|3,0,0]=4 423 B12R1.51 COCC(=O)NCC1CCOC1 WXVL_AK00634SB0090 [0,0,0,1,0,0|3,0,0]=4 424 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0090 [0,0,0,1,0,0|3,0,0]=4 425 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0090 [0,0,0,1,0,0|3,0,0]=4 426 B12R1.51 COCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0090 [0,0,0,1,0,0|3,0,0]=4 427 B12R1.51 COCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0090 [0,0,0,1,0,0|3,0,0]=4 428 B12R1.51 CSCC(=O)NCC1CCCC1 WXVL_AK0303SB1267 [0,0,0,1,0,0|2,0,0]=3 429 B12R1.51 CSCC(=O)NCC1CCCC1 WXVL_AK0303SB1267 [0,0,0,1,0,0|2,0,0]=3 430 B12R1.51 CSCC(=O)NCC1CCOC1 WXVL_AK00634SB1267 [0,0,0,1,0,0|3,0,0]=4 431 B12R1.51 CSCC(=O)NCC1CCOC1 WXVL_AK00634SB1267 [0,0,0,1,0,0|3,0,0]=4 432 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1267 [0,0,0,1,0,0|3,0,0]=4 433 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1267 [0,0,0,1,0,0|3,0,0]=4 434 B12R1.51 CSCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB1267 [0,0,0,1,0,0|3,0,0]=4 435 B12R1.51 CSCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB1267 [0,0,0,1,0,0|3,0,0]=4 436 B12R1.51 N#CCC(=O)NCC1CCCC1 WXVL_AK0303SB0057 [0,0,0,1,0,0|2,0,1]=4 437 B12R1.51 N#CCC(=O)NCC1CCCC1 WXVL_AK0303SB0057 [0,0,0,1,0,0|2,0,1]=4 438 B12R1.308 C#CCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB3070 [0,0,0,1,0,0|1,0,2]=4 439 B12R1.308 C/C=C/C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0340 [0,0,0,1,0,0|1,0,2]=4 440 B12R1.308 C=CCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB2732 [0,0,0,1,0,0|1,0,2]=4 441 B12R1.308 CC#CC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB1240 [0,0,0,1,0,0|1,0,2]=4 442 B12R1.308 CCCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0073 [0,0,0,1,0,0|1,0,0]=2 443 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0073 [0,0,0,1,0,0|2,0,0]=3 444 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0073 [0,0,0,1,0,0|2,0,0]=3 445 B12R1.308 CCCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0073 [0,0,0,1,0,0|2,0,0]=3 446 B12R1.308 CCNC(=O)[C@H]1CCCCN1C WXVL_AK00476SB4055 [0,0,0,1,0,0|3,0,0]=4 447 B12R1.308 CCNC(=O)[C@H]1CCCCN1C WXVL_AK00476SB4055 [0,0,0,1,0,0|3,0,0]=4 448 B12R1.308 COCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0090 [0,0,0,1,0,0|2,0,0]=3 449 B12R1.308 COCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0090 [0,0,0,1,0,0|3,0,0]=4 450 B12R1.308 COCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0090 [0,0,0,1,0,0|3,0,0]=4 451 B12R1.308 COCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0090 [0,0,0,1,0,0|3,0,0]=4 452 B12R1.308 CSCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB1267 [0,0,0,1,0,0|2,0,0]=3 453 B12R1.308 CSCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB1267 [0,0,0,1,0,0|3,0,0]=4 454 B12R1.308 CSCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB1267 [0,0,0,1,0,0|3,0,0]=4 455 B12R1.308 CSCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB1267 [0,0,0,1,0,0|3,0,0]=4 456 B12R1.308 C[C@H]1CCCCN1C(=O)CC#N WXVL_AN00851SB0057 [0,0,0,1,0,0|2,0,1]=4 457 B12R1.315 C#CCC(=O)NCCC1CCC1 WXVL_AK2418SB3070 [0,0,0,1,0,0|1,0,2]=4 458 B12R1.315 C#CCC(=O)NCCC1CCC1 WXVL_AK2418SB3070 [0,0,0,1,0,0|1,0,2]=4 459 B12R1.315 C/C=C/C(=O)NCCC1CCC1 WXVL_AK2418SB0340 [0,0,0,1,0,0|1,0,2]=4 460 B12R1.315 C/C=C/C(=O)NCCC1CCC1 WXVL_AK2418SB0340 [0,0,0,1,0,0|1,0,2]=4 461 B12R1.315 C=CCC(=O)NCCC1CCC1 WXVL_AK2418SB2732 [0,0,0,1,0,0|1,0,2]=4 462 B12R1.315 C=CCC(=O)NCCC1CCC1 WXVL_AK2418SB2732 [0,0,0,1,0,0|1,0,2]=4 463 B12R1.315 CC#CC(=O)NCCC1CCC1 WXVL_AK2418SB1240 [0,0,0,1,0,0|1,0,2]=4 464 B12R1.315 CC#CC(=O)NCCC1CCC1 WXVL_AK2418SB1240 [0,0,0,1,0,0|1,0,2]=4 465 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [0,0,0,1,0,0|1,0,0]=2 466 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [0,0,0,1,0,0|1,0,0]=2 467 B12R1.315 COCC(=O)NCCC1CCC1 WXVL_AK2418SB0090 [0,0,0,1,0,0|2,0,0]=3 468 B12R1.315 COCC(=O)NCCC1CCC1 WXVL_AK2418SB0090 [0,0,0,1,0,0|2,0,0]=3 469 B12R1.315 CSCC(=O)NCCC1CCC1 WXVL_AK2418SB1267 [0,0,0,1,0,0|2,0,0]=3 470 B12R1.315 CSCC(=O)NCCC1CCC1 WXVL_AK2418SB1267 [0,0,0,1,0,0|2,0,0]=3 471 B12R1.315 N#CCC(=O)NCCC1CCC1 WXVL_AK2418SB0057 [0,0,0,1,0,0|2,0,1]=4 472 B12R1.315 N#CCC(=O)NCCC1CCC1 WXVL_AK2418SB0057 [0,0,0,1,0,0|2,0,1]=4 473 B12R1.316 CCCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0073 [0,0,0,1,0,0|2,0,0]=3 474 B12R1.316 COCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0090 [0,0,0,1,0,0|3,0,0]=4 475 B12R1.316 CSCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB1267 [0,0,0,1,0,0|3,0,0]=4 476 B12R1.318 CCCC(=O)N[C@@H]1COC[C@H]1O WXVL_AK0348SB0073 [0,0,0,1,0,0|3,0,0]=4 477 B12R1.318 CCCC(=O)N[C@@H]1COC[C@H]1O WXVL_AK0348SB0073 [0,0,0,1,0,0|3,0,0]=4 478 B12R1.923 C#CCCCCNC(=O)C1CC1 WXVL_AK00614SB0038 [0,0,0,1,0,0|1,0,2]=4 479 B12R1.923 C#CCCCCNC(=O)C1CC1 WXVL_AK00614SB0038 [0,0,0,1,0,0|1,0,2]=4 480 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [0,0,0,1,0,0|1,0,0]=2 481 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [0,0,0,1,0,0|1,0,0]=2 482 B12R1.923 CCOCCCNC(=O)C1CC1 WXVL_AK0072SB0038 [0,0,0,1,0,0|2,0,0]=3 483 B12R1.923 CCOCCCNC(=O)C1CC1 WXVL_AK0072SB0038 [0,0,0,1,0,0|2,0,0]=3 484 B12R1.923 O=C(NCCCCCO)C1CC1 WXVL_AK0077SB0038 [0,0,0,1,0,0|2,0,0]=3 485 B12R1.923 O=C(NCCCCCO)C1CC1 WXVL_AK0077SB0038 [0,0,0,1,0,0|2,0,0]=3 486 B12R1.923 O=C(NCCNCCO)C1CC1 WXVL_AK0954SB0038 [0,0,0,1,0,0|3,0,0]=4 487 B12R1.923 O=C(NCCNCCO)C1CC1 WXVL_AK0954SB0038 [0,0,0,1,0,0|3,0,0]=4 488 B12R1.1564 CCCC(=O)N1CCCOCC1 WXVL_AN00350SB0073 [0,0,0,1,0,0|2,0,0]=3 489 B12R1.1564 CCCC(=O)N1CCCOCC1 WXVL_AN00350SB0073 [0,0,0,1,0,0|2,0,0]=3 490 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [0,0,0,1,0,0|2,0,0]=3 491 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [0,0,0,1,0,0|2,0,0]=3 492 B12R1.1564 COCC(=O)N1CCCOCC1 WXVL_AN00350SB0090 [0,0,0,1,0,0|3,0,0]=4 493 B12R1.1564 COCC(=O)N1CCCOCC1 WXVL_AN00350SB0090 [0,0,0,1,0,0|3,0,0]=4 494 B12R1.1564 CSCC(=O)N1CCCOCC1 WXVL_AN00350SB1267 [0,0,0,1,0,0|3,0,0]=4 495 B12R1.1564 CSCC(=O)N1CCCOCC1 WXVL_AN00350SB1267 [0,0,0,1,0,0|3,0,0]=4 496 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [2,0,0,0,0,0|2,0,0]=4 497 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [2,0,0,0,0,0|2,0,0]=4 498 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [2,0,0,0,0,0|2,0,0]=4 499 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [2,0,0,0,0,0|2,0,0]=4 500 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [2,0,0,0,0,0|1,0,0]=3 501 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [2,0,0,0,0,0|1,0,0]=3 502 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [2,0,0,0,0,0|2,0,0]=4 503 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [2,0,0,0,0,0|2,0,0]=4 504 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [2,0,0,0,0,0|2,0,0]=4 505 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [2,0,0,0,0,0|2,0,0]=4 506 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [2,0,0,0,0,0|2,0,0]=4 507 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [2,0,0,0,0,0|2,0,0]=4 508 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [2,0,0,0,0,0|2,0,0]=4 509 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [2,0,0,0,0,0|2,0,0]=4 510 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [2,0,0,0,0,0|2,0,0]=4 511 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [2,0,0,0,0,0|2,0,0]=4 512 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [2,0,0,0,0,0|2,0,0]=4 513 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [2,0,0,0,0,0|2,0,0]=4 514 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [2,0,0,0,0,0|2,0,0]=4 515 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [2,0,0,0,0,0|2,0,0]=4 516 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [2,0,0,0,0,0|1,0,0]=3 517 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [2,0,0,0,0,0|1,0,0]=3 518 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [2,0,0,0,0,0|2,0,0]=4 519 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [2,0,0,0,0,0|2,0,0]=4 520 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [2,0,0,0,0,0|2,0,0]=4 521 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [2,0,0,0,0,0|2,0,0]=4 522 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [2,0,0,0,0,0|2,0,0]=4 523 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [2,0,0,0,0,0|2,0,0]=4 524 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [2,0,0,0,0,0|2,0,0]=4 525 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [2,0,0,0,0,0|2,0,0]=4 526 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [2,0,0,0,0,0|2,0,0]=4 527 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [2,0,0,0,0,0|2,0,0]=4 528 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [2,0,0,0,0,0|2,0,0]=4 529 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [2,0,0,0,0,0|2,0,0]=4 530 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [2,0,0,0,0,0|1,0,0]=3 531 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [2,0,0,0,0,0|1,0,0]=3 532 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [2,0,0,0,0,0|2,0,0]=4 533 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [2,0,0,0,0,0|2,0,0]=4 534 B11R0.2 CC(C)CC(=O)NCCCCO WXVL_AK0075SB0063 [1,1,0,0,0,0|2,0,0]=4 535 B11R0.2 CC(C)CC(=O)NCCCCO WXVL_AK0075SB0063 [1,1,0,0,0,0|2,0,0]=4 536 B11R0.2 CC(C)NC(=O)CCCCCBr WXVL_AK0030SB2192 [1,1,0,0,0,0|2,0,0]=4 537 B11R0.2 CC(C)NC(=O)CCCCCBr WXVL_AK0030SB2192 [1,1,0,0,0,0|2,0,0]=4 538 B11R0.2 CC(C)NC(=O)CCCCCO WXVL_AK0030SB2973 [1,1,0,0,0,0|2,0,0]=4 539 B11R0.2 CC(C)NC(=O)CCCCCO WXVL_AK0030SB2973 [1,1,0,0,0,0|2,0,0]=4 540 B11R0.2 CC(O)CC(=O)NCCCCO WXVL_AK0075SB3643 [1,1,0,0,0,0|2,0,0]=4 541 B11R0.2 CC(O)CC(=O)NCCCCO WXVL_AK0075SB3643 [1,1,0,0,0,0|2,0,0]=4 542 B11R0.2 CCCCCNC(=O)CC(C)C WXVL_AK0076SB0063 [1,1,0,0,0,0|1,0,0]=3 543 B11R0.2 CCCCCNC(=O)CC(C)C WXVL_AK0076SB0063 [1,1,0,0,0,0|1,0,0]=3 544 B11R0.2 CCCCCNC(=O)CC(C)O WXVL_AK0076SB3643 [1,1,0,0,0,0|1,0,0]=3 545 B11R0.2 CCCCCNC(=O)CC(C)O WXVL_AK0076SB3643 [1,1,0,0,0,0|1,0,0]=3 546 B11R0.2 CCCCCNC(=O)CN(C)C WXVL_AK0076SB0085 [1,1,0,0,0,0|2,0,0]=4 547 B11R0.2 CCCCCNC(=O)CN(C)C WXVL_AK0076SB0085 [1,1,0,0,0,0|2,0,0]=4 548 B11R0.2 CCSCCNC(=O)CC(C)C WXVL_AK00494SB0063 [1,1,0,0,0,0|2,0,0]=4 549 B11R0.2 CCSCCNC(=O)CC(C)C WXVL_AK00494SB0063 [1,1,0,0,0,0|2,0,0]=4 550 B11R0.2 CCSCCNC(=O)CC(C)O WXVL_AK00494SB3643 [1,1,0,0,0,0|2,0,0]=4 551 B11R0.2 CCSCCNC(=O)CC(C)O WXVL_AK00494SB3643 [1,1,0,0,0,0|2,0,0]=4 552 B11R0.2 COCCCNC(=O)CC(C)C WXVL_AK00637SB0063 [1,1,0,0,0,0|2,0,0]=4 553 B11R0.2 COCCCNC(=O)CC(C)C WXVL_AK00637SB0063 [1,1,0,0,0,0|2,0,0]=4 554 B11R0.2 COCCCNC(=O)CC(C)O WXVL_AK00637SB3643 [1,1,0,0,0,0|2,0,0]=4 555 B11R0.2 COCCCNC(=O)CC(C)O WXVL_AK00637SB3643 [1,1,0,0,0,0|2,0,0]=4 556 B11R0.2 CSCCCNC(=O)CC(C)C WXVL_AK0965SB0063 [1,1,0,0,0,0|2,0,0]=4 557 B11R0.2 CSCCCNC(=O)CC(C)C WXVL_AK0965SB0063 [1,1,0,0,0,0|2,0,0]=4 558 B11R0.2 CSCCCNC(=O)CC(C)O WXVL_AK0965SB3643 [1,1,0,0,0,0|2,0,0]=4 559 B11R0.2 CSCCCNC(=O)CC(C)O WXVL_AK0965SB3643 [1,1,0,0,0,0|2,0,0]=4 560 B11R0.81 C#CCCC(=O)NCCCCC WXVL_AK0076SB2189 [1,1,0,0,0,0|1,0,1]=4 561 B11R0.81 C#CCCC(=O)NCCCCC WXVL_AK0076SB2189 [1,1,0,0,0,0|1,0,1]=4 562 B11R0.81 C=CCCC(=O)NCCCCC WXVL_AK0076SB1035 [1,1,0,0,0,0|1,0,1]=4 563 B11R0.81 C=CCCC(=O)NCCCCC WXVL_AK0076SB1035 [1,1,0,0,0,0|1,0,1]=4 564 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [1,1,0,0,0,0|1,0,0]=3 565 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [1,1,0,0,0,0|1,0,0]=3 566 B11R0.81 CCCCCNC(=O)CCSC WXVL_AK0076SB0361 [1,1,0,0,0,0|1,0,0]=3 567 B11R0.81 CCCCCNC(=O)CCSC WXVL_AK0076SB0361 [1,1,0,0,0,0|1,0,0]=3 568 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [1,1,0,0,0,0|1,0,0]=3 569 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [1,1,0,0,0,0|1,0,0]=3 570 B11R0.81 CCCCCNC(=O)CSCC WXVL_AK0076SB0002 [1,1,0,0,0,0|1,0,0]=3 571 B11R0.81 CCCCCNC(=O)CSCC WXVL_AK0076SB0002 [1,1,0,0,0,0|1,0,0]=3 572 B11R0.81 CCCCCNC(=O)NCCCl WXVL_AK0076YV0092 [1,1,0,0,0,0|2,0,0]=4 573 B11R0.81 CCCCCNC(=O)NCCCl WXVL_AK0076YV0092 [1,1,0,0,0,0|2,0,0]=4 574 B11R0.81 CCCNC(=O)CCCCCBr WXVL_AK00504SB2192 [1,1,0,0,0,0|1,0,0]=3 575 B11R0.81 CCCNC(=O)CCCCCBr WXVL_AK00504SB2192 [1,1,0,0,0,0|1,0,0]=3 576 B11R0.81 CCCNC(=O)CCCCCO WXVL_AK00504SB2973 [1,1,0,0,0,0|1,0,0]=3 577 B11R0.81 CCCNC(=O)CCCCCO WXVL_AK00504SB2973 [1,1,0,0,0,0|1,0,0]=3 578 B11R0.81 CCCNC(=O)COCCOC WXVL_AK00504SB0159 [1,1,0,0,0,0|2,0,0]=4 579 B11R0.81 CCCNC(=O)COCCOC WXVL_AK00504SB0159 [1,1,0,0,0,0|2,0,0]=4 580 B11R0.81 CCOCC(=O)NCCCCO WXVL_AK0075SB0091 [1,1,0,0,0,0|2,0,0]=4 581 B11R0.81 CCOCC(=O)NCCCCO WXVL_AK0075SB0091 [1,1,0,0,0,0|2,0,0]=4 582 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [1,1,0,0,0,0|2,0,0]=4 583 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [1,1,0,0,0,0|2,0,0]=4 584 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [1,1,0,0,0,0|2,0,0]=4 585 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [1,1,0,0,0,0|2,0,0]=4 586 B11R0.81 CCOCC(=O)NCCSCC WXVL_AK00494SB0091 [1,1,0,0,0,0|2,0,0]=4 587 B11R0.81 CCOCC(=O)NCCSCC WXVL_AK00494SB0091 [1,1,0,0,0,0|2,0,0]=4 588 B11R0.81 CCSCC(=O)NCCCCO WXVL_AK0075SB0002 [1,1,0,0,0,0|2,0,0]=4 589 B11R0.81 CCSCC(=O)NCCCCO WXVL_AK0075SB0002 [1,1,0,0,0,0|2,0,0]=4 590 B11R0.81 CCSCC(=O)NCCCOC WXVL_AK00637SB0002 [1,1,0,0,0,0|2,0,0]=4 591 B11R0.81 CCSCC(=O)NCCCOC WXVL_AK00637SB0002 [1,1,0,0,0,0|2,0,0]=4 592 B11R0.81 CCSCC(=O)NCCCSC WXVL_AK0965SB0002 [1,1,0,0,0,0|2,0,0]=4 593 B11R0.81 CCSCC(=O)NCCCSC WXVL_AK0965SB0002 [1,1,0,0,0,0|2,0,0]=4 594 B11R0.81 CCSCCNC(=O)CCOC WXVL_AK00494SB0156 [1,1,0,0,0,0|2,0,0]=4 595 B11R0.81 CCSCCNC(=O)CCOC WXVL_AK00494SB0156 [1,1,0,0,0,0|2,0,0]=4 596 B11R0.81 CCSCCNC(=O)CCSC WXVL_AK00494SB0361 [1,1,0,0,0,0|2,0,0]=4 597 B11R0.81 CCSCCNC(=O)CCSC WXVL_AK00494SB0361 [1,1,0,0,0,0|2,0,0]=4 598 B11R0.81 CCSCCNC(=O)CSCC WXVL_AK00494SB0002 [1,1,0,0,0,0|2,0,0]=4 599 B11R0.81 CCSCCNC(=O)CSCC WXVL_AK00494SB0002 [1,1,0,0,0,0|2,0,0]=4 600 B11R0.81 COCCC(=O)NCCCCO WXVL_AK0075SB0156 [1,1,0,0,0,0|2,0,0]=4 601 B11R0.81 COCCC(=O)NCCCCO WXVL_AK0075SB0156 [1,1,0,0,0,0|2,0,0]=4 602 B11R0.81 COCCC(=O)NCCCSC WXVL_AK0965SB0156 [1,1,0,0,0,0|2,0,0]=4 603 B11R0.81 COCCC(=O)NCCCSC WXVL_AK0965SB0156 [1,1,0,0,0,0|2,0,0]=4 604 B11R0.81 COCCCNC(=O)CCOC WXVL_AK00637SB0156 [1,1,0,0,0,0|2,0,0]=4 605 B11R0.81 COCCCNC(=O)CCOC WXVL_AK00637SB0156 [1,1,0,0,0,0|2,0,0]=4 606 B11R0.81 COCCCNC(=O)CCSC WXVL_AK00637SB0361 [1,1,0,0,0,0|2,0,0]=4 607 B11R0.81 COCCCNC(=O)CCSC WXVL_AK00637SB0361 [1,1,0,0,0,0|2,0,0]=4 608 B11R0.81 CSCCC(=O)NCCCCO WXVL_AK0075SB0361 [1,1,0,0,0,0|2,0,0]=4 609 B11R0.81 CSCCC(=O)NCCCCO WXVL_AK0075SB0361 [1,1,0,0,0,0|2,0,0]=4 610 B11R0.81 CSCCCNC(=O)CCSC WXVL_AK0965SB0361 [1,1,0,0,0,0|2,0,0]=4 611 B11R0.81 CSCCCNC(=O)CCSC WXVL_AK0965SB0361 [1,1,0,0,0,0|2,0,0]=4 612 B11R0.81 O=C(CCCCCBr)NCCF WXVL_AK00466SB2192 [1,1,0,0,0,0|2,0,0]=4 613 B11R0.81 O=C(CCCCCBr)NCCF WXVL_AK00466SB2192 [1,1,0,0,0,0|2,0,0]=4 614 B11R0.81 O=C(CCCCCO)NCCF WXVL_AK00466SB2973 [1,1,0,0,0,0|2,0,0]=4 615 B11R0.81 O=C(CCCCCO)NCCF WXVL_AK00466SB2973 [1,1,0,0,0,0|2,0,0]=4 616 B11R0.142 CCC(C)C(=O)NCCCCO WXVL_AK0075SB0054 [1,1,0,0,0,0|2,0,0]=4 617 B11R0.142 CCC(C)C(=O)NCCCCO WXVL_AK0075SB0054 [1,1,0,0,0,0|2,0,0]=4 618 B11R0.142 CCC(C)C(=O)NCCCOC WXVL_AK00637SB0054 [1,1,0,0,0,0|2,0,0]=4 619 B11R0.142 CCC(C)C(=O)NCCCOC WXVL_AK00637SB0054 [1,1,0,0,0,0|2,0,0]=4 620 B11R0.142 CCC(C)C(=O)NCCCSC WXVL_AK0965SB0054 [1,1,0,0,0,0|2,0,0]=4 621 B11R0.142 CCC(C)C(=O)NCCCSC WXVL_AK0965SB0054 [1,1,0,0,0,0|2,0,0]=4 622 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [1,1,0,0,0,0|1,0,1]=4 623 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [1,1,0,0,0,0|1,0,1]=4 624 B11R0.142 CCCCCNC(=O)C(C)CC WXVL_AK0076SB0054 [1,1,0,0,0,0|1,0,0]=3 625 B11R0.142 CCCCCNC(=O)C(C)CC WXVL_AK0076SB0054 [1,1,0,0,0,0|1,0,0]=3 626 B11R0.142 CCCCCNC(=O)[C@@H](C)OC WXVL_AK0076SB2926 [1,1,0,0,0,0|2,0,0]=4 627 B11R0.142 CCCCCNC(=O)[C@@H](C)OC WXVL_AK0076SB2926 [1,1,0,0,0,0|2,0,0]=4 628 B11R0.142 CCCCCNC(=O)[C@@H](O)CC WXVL_AK0076SB3573 [1,1,0,0,0,0|1,0,0]=3 629 B11R0.142 CCCCCNC(=O)[C@@H](O)CC WXVL_AK0076SB3573 [1,1,0,0,0,0|1,0,0]=3 630 B11R0.142 CCCCCNC(=O)[C@H](C)CC WXVL_AK0076SB00054 [1,1,0,0,0,0|1,0,0]=3 631 B11R0.142 CCCCCNC(=O)[C@H](C)CC WXVL_AK0076SB00054 [1,1,0,0,0,0|1,0,0]=3 632 B11R0.142 CCSCCNC(=O)C(C)CC WXVL_AK00494SB0054 [1,1,0,0,0,0|2,0,0]=4 633 B11R0.142 CCSCCNC(=O)C(C)CC WXVL_AK00494SB0054 [1,1,0,0,0,0|2,0,0]=4 634 B11R0.142 CCSCCNC(=O)[C@@H](O)CC WXVL_AK00494SB3573 [1,1,0,0,0,0|2,0,0]=4 635 B11R0.142 CCSCCNC(=O)[C@@H](O)CC WXVL_AK00494SB3573 [1,1,0,0,0,0|2,0,0]=4 636 B11R0.142 CCSCCNC(=O)[C@H](C)CC WXVL_AK00494SB00054 [1,1,0,0,0,0|2,0,0]=4 637 B11R0.142 CCSCCNC(=O)[C@H](C)CC WXVL_AK00494SB00054 [1,1,0,0,0,0|2,0,0]=4 638 B11R0.142 CC[C@@H](C)C(=O)NCCCCO WXVL_AK0075SB00054 [1,1,0,0,0,0|2,0,0]=4 639 B11R0.142 CC[C@@H](C)C(=O)NCCCCO WXVL_AK0075SB00054 [1,1,0,0,0,0|2,0,0]=4 640 B11R0.142 CC[C@@H](C)C(=O)NCCCOC WXVL_AK00637SB00054 [1,1,0,0,0,0|2,0,0]=4 641 B11R0.142 CC[C@@H](C)C(=O)NCCCOC WXVL_AK00637SB00054 [1,1,0,0,0,0|2,0,0]=4 642 B11R0.142 CC[C@@H](C)C(=O)NCCCSC WXVL_AK0965SB00054 [1,1,0,0,0,0|2,0,0]=4 643 B11R0.142 CC[C@@H](C)C(=O)NCCCSC WXVL_AK0965SB00054 [1,1,0,0,0,0|2,0,0]=4 644 B11R0.142 CC[C@H](O)C(=O)NCCCCO WXVL_AK0075SB3573 [1,1,0,0,0,0|2,0,0]=4 645 B11R0.142 CC[C@H](O)C(=O)NCCCCO WXVL_AK0075SB3573 [1,1,0,0,0,0|2,0,0]=4 646 B11R0.142 CC[C@H](O)C(=O)NCCCOC WXVL_AK00637SB3573 [1,1,0,0,0,0|2,0,0]=4 647 B11R0.142 CC[C@H](O)C(=O)NCCCOC WXVL_AK00637SB3573 [1,1,0,0,0,0|2,0,0]=4 648 B11R0.142 CC[C@H](O)C(=O)NCCCSC WXVL_AK0965SB3573 [1,1,0,0,0,0|2,0,0]=4 649 B11R0.142 CC[C@H](O)C(=O)NCCCSC WXVL_AK0965SB3573 [1,1,0,0,0,0|2,0,0]=4 650 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [1,1,0,0,0,0|1,0,0]=3 651 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [1,1,0,0,0,0|1,0,0]=3 652 B11R0.174 CCCC(=O)NCCC(C)CO WXVL_AK4143SB0073 [1,1,0,0,0,0|2,0,0]=4 653 B11R0.174 CCCC(=O)NCCC(C)CO WXVL_AK4143SB0073 [1,1,0,0,0,0|2,0,0]=4 654 B11R0.176 CCCC(=O)NCCOC(C)C WXVL_AK0128SB0073 [1,1,0,0,0,0|2,0,0]=4 655 B11R0.176 CCCC(=O)NCCOC(C)C WXVL_AK0128SB0073 [1,1,0,0,0,0|2,0,0]=4 656 B11R0.304 CCCCCNS(=O)(=O)CCC WXVL_AK0076HU0030 [1,1,0,0,0,0|2,0,0]=4 657 B11R0.304 CCCCCNS(=O)(=O)CCC WXVL_AK0076HU0030 [1,1,0,0,0,0|2,0,0]=4 658 B11R0.42 CC(C)C(=O)NCCCCCO WXVL_AK0077SB0052 [1,1,0,0,0,0|2,0,0]=4 659 B11R0.42 CC(C)C(=O)NCCCCCO WXVL_AK0077SB0052 [1,1,0,0,0,0|2,0,0]=4 660 B11R0.42 CC(S)C(=O)NCCCCCO WXVL_AK0077SB2708 [1,1,0,0,0,0|2,0,0]=4 661 B11R0.42 CC(S)C(=O)NCCCCCO WXVL_AK0077SB2708 [1,1,0,0,0,0|2,0,0]=4 662 B11R0.42 CCCCCCCC(=O)N(C)C WXVL_AN0032SB0393 [1,1,0,0,0,0|2,0,0]=4 663 B11R0.42 CCCCCCCC(=O)N(C)C WXVL_AN0032SB0393 [1,1,0,0,0,0|2,0,0]=4 664 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [1,1,0,0,0,0|1,0,1]=4 665 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [1,1,0,0,0,0|1,0,1]=4 666 B11R0.42 CCCCCCNC(=O)C(C)C WXVL_AK0286SB0052 [1,1,0,0,0,0|1,0,0]=3 667 B11R0.42 CCCCCCNC(=O)C(C)C WXVL_AK0286SB0052 [1,1,0,0,0,0|1,0,0]=3 668 B11R0.42 CCCCCCNC(=O)C(C)S WXVL_AK0286SB2708 [1,1,0,0,0,0|1,0,0]=3 669 B11R0.42 CCCCCCNC(=O)C(C)S WXVL_AK0286SB2708 [1,1,0,0,0,0|1,0,0]=3 670 B11R0.42 CCCCCCNC(=O)C(F)F WXVL_AK0286SB0079 [1,1,0,0,0,0|2,0,0]=4 671 B11R0.42 CCCCCCNC(=O)C(F)F WXVL_AK0286SB0079 [1,1,0,0,0,0|2,0,0]=4 672 B11R0.42 CCCCCCNC(=O)[C@@H](C)O WXVL_AK0286SB1085 [1,1,0,0,0,0|1,0,0]=3 673 B11R0.42 CCCCCCNC(=O)[C@@H](C)O WXVL_AK0286SB1085 [1,1,0,0,0,0|1,0,0]=3 674 B11R0.42 CCOCCCNC(=O)C(C)C WXVL_AK0072SB0052 [1,1,0,0,0,0|2,0,0]=4 675 B11R0.42 CCOCCCNC(=O)C(C)C WXVL_AK0072SB0052 [1,1,0,0,0,0|2,0,0]=4 676 B11R0.42 CCOCCCNC(=O)C(C)S WXVL_AK0072SB2708 [1,1,0,0,0,0|2,0,0]=4 677 B11R0.42 CCOCCCNC(=O)C(C)S WXVL_AK0072SB2708 [1,1,0,0,0,0|2,0,0]=4 678 B11R0.42 CCOCCCNC(=O)[C@@H](C)O WXVL_AK0072SB1085 [1,1,0,0,0,0|2,0,0]=4 679 B11R0.42 CCOCCCNC(=O)[C@@H](C)O WXVL_AK0072SB1085 [1,1,0,0,0,0|2,0,0]=4 680 B11R0.42 C[C@@H](O)C(=O)NCCCCCO WXVL_AK0077SB1085 [1,1,0,0,0,0|2,0,0]=4 681 B11R0.42 C[C@@H](O)C(=O)NCCCCCO WXVL_AK0077SB1085 [1,1,0,0,0,0|2,0,0]=4 682 B11R0.49 CCCCCCNS(=O)(=O)CC WXVL_AK0286HU0028 [1,1,0,0,0,0|2,0,0]=4 683 B11R0.49 CCCCCCNS(=O)(=O)CC WXVL_AK0286HU0028 [1,1,0,0,0,0|2,0,0]=4 684 B11R0.70 CCCCC(C)CCC(=O)NC WXVL_AK00442SB1315 [1,1,0,0,0,0|2,0,0]=4 685 B11R0.70 CCCCC(C)CCC(=O)NC WXVL_AK00442SB1315 [1,1,0,0,0,0|2,0,0]=4 686 B11R0.111 CCC(=O)NCCCCN(C)C WXVL_AK0097SB0064 [1,1,0,0,0,0|2,0,0]=4 687 B11R0.111 CCC(=O)NCCCCN(C)C WXVL_AK0097SB0064 [1,1,0,0,0,0|2,0,0]=4 688 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,2,0,0,0,0|2,0,0]=4 689 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,2,0,0,0,0|2,0,0]=4 690 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,2,0,0,0,0|1,0,0]=3 691 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,2,0,0,0,0|1,0,0]=3 692 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [0,2,0,0,0,0|2,0,0]=4 693 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [0,2,0,0,0,0|2,0,0]=4 694 B13R0.2 CCCCCCCCNC(=O)CSC WXVL_AK1818SB1267 [0,2,0,0,0,0|2,0,0]=4 695 B13R0.2 CCCCCCCCNC(=O)CSC WXVL_AK1818SB1267 [0,2,0,0,0,0|2,0,0]=4 696 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [0,2,0,0,0,0|2,0,0]=4 697 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [0,2,0,0,0,0|2,0,0]=4 698 B13R0.2 CCCCOCCCNC(=O)CCC WXVL_AK2310SB0073 [0,2,0,0,0,0|1,0,0]=3 699 B13R0.2 CCCCOCCCNC(=O)CCC WXVL_AK2310SB0073 [0,2,0,0,0,0|1,0,0]=3 700 B13R0.2 CCCCOCCCNC(=O)COC WXVL_AK2310SB0090 [0,2,0,0,0,0|2,0,0]=4 701 B13R0.2 CCCCOCCCNC(=O)COC WXVL_AK2310SB0090 [0,2,0,0,0,0|2,0,0]=4 702 B13R0.2 CCCCOCCCNC(=O)CSC WXVL_AK2310SB1267 [0,2,0,0,0,0|2,0,0]=4 703 B13R0.2 CCCCOCCCNC(=O)CSC WXVL_AK2310SB1267 [0,2,0,0,0,0|2,0,0]=4 704 B13R0.66 C#CCCC(=O)NCCCCCCO WXVL_AK0751SB2189 [0,2,0,0,0,0|1,0,1]=4 705 B13R0.66 C#CCCC(=O)NCCCCCCO WXVL_AK0751SB2189 [0,2,0,0,0,0|1,0,1]=4 706 B13R0.66 C#CCCC(=O)NCCOCCCC WXVL_AK9674SB2189 [0,2,0,0,0,0|1,0,1]=4 707 B13R0.66 C#CCCC(=O)NCCOCCCC WXVL_AK9674SB2189 [0,2,0,0,0,0|1,0,1]=4 708 B13R0.66 C=CCCC(=O)NCCCCCCO WXVL_AK0751SB1035 [0,2,0,0,0,0|1,0,1]=4 709 B13R0.66 C=CCCC(=O)NCCCCCCO WXVL_AK0751SB1035 [0,2,0,0,0,0|1,0,1]=4 710 B13R0.66 C=CCCC(=O)NCCOCCCC WXVL_AK9674SB1035 [0,2,0,0,0,0|1,0,1]=4 711 B13R0.66 C=CCCC(=O)NCCOCCCC WXVL_AK9674SB1035 [0,2,0,0,0,0|1,0,1]=4 712 B13R0.66 CCCCCCCCC(=O)NCCC WXVL_AK00504SB0409 [0,2,0,0,0,0|1,0,0]=3 713 B13R0.66 CCCCCCCCC(=O)NCCC WXVL_AK00504SB0409 [0,2,0,0,0,0|1,0,0]=3 714 B13R0.66 CCCCCCCCC(=O)NCCF WXVL_AK00466SB0409 [0,2,0,0,0,0|2,0,0]=4 715 B13R0.66 CCCCCCCCC(=O)NCCF WXVL_AK00466SB0409 [0,2,0,0,0,0|2,0,0]=4 716 B13R0.66 CCCCOCCNC(=O)CCOC WXVL_AK9674SB0156 [0,2,0,0,0,0|1,0,0]=3 717 B13R0.66 CCCCOCCNC(=O)CCOC WXVL_AK9674SB0156 [0,2,0,0,0,0|1,0,0]=3 718 B13R0.66 CCCCOCCNC(=O)CCSC WXVL_AK9674SB0361 [0,2,0,0,0,0|1,0,0]=3 719 B13R0.66 CCCCOCCNC(=O)CCSC WXVL_AK9674SB0361 [0,2,0,0,0,0|1,0,0]=3 720 B13R0.66 CCCCOCCNC(=O)COCC WXVL_AK9674SB0091 [0,2,0,0,0,0|1,0,0]=3 721 B13R0.66 CCCCOCCNC(=O)COCC WXVL_AK9674SB0091 [0,2,0,0,0,0|1,0,0]=3 722 B13R0.66 CCCCOCCNC(=O)CSCC WXVL_AK9674SB0002 [0,2,0,0,0,0|1,0,0]=3 723 B13R0.66 CCCCOCCNC(=O)CSCC WXVL_AK9674SB0002 [0,2,0,0,0,0|1,0,0]=3 724 B13R0.66 CCCCOCCNC(=O)NCCCl WXVL_AK9674YV0092 [0,2,0,0,0,0|2,0,0]=4 725 B13R0.66 CCCCOCCNC(=O)NCCCl WXVL_AK9674YV0092 [0,2,0,0,0,0|2,0,0]=4 726 B13R0.66 CCCNC(=O)CCCCCCCBr WXVL_AK00504SB0559 [0,2,0,0,0,0|1,0,0]=3 727 B13R0.66 CCCNC(=O)CCCCCCCBr WXVL_AK00504SB0559 [0,2,0,0,0,0|1,0,0]=3 728 B13R0.66 CCCNC(=O)CCCCCCCO WXVL_AK00504SB1306 [0,2,0,0,0,0|1,0,0]=3 729 B13R0.66 CCCNC(=O)CCCCCCCO WXVL_AK00504SB1306 [0,2,0,0,0,0|1,0,0]=3 730 B13R0.66 CCOCC(=O)NCCCCCCO WXVL_AK0751SB0091 [0,2,0,0,0,0|1,0,0]=3 731 B13R0.66 CCOCC(=O)NCCCCCCO WXVL_AK0751SB0091 [0,2,0,0,0,0|1,0,0]=3 732 B13R0.66 CCOCC(=O)NCCOCCOC WXVL_AK2206SB0091 [0,2,0,0,0,0|2,0,0]=4 733 B13R0.66 CCOCC(=O)NCCOCCOC WXVL_AK2206SB0091 [0,2,0,0,0,0|2,0,0]=4 734 B13R0.66 CCSCC(=O)NCCCCCCO WXVL_AK0751SB0002 [0,2,0,0,0,0|1,0,0]=3 735 B13R0.66 CCSCC(=O)NCCCCCCO WXVL_AK0751SB0002 [0,2,0,0,0,0|1,0,0]=3 736 B13R0.66 CCSCC(=O)NCCOCCOC WXVL_AK2206SB0002 [0,2,0,0,0,0|2,0,0]=4 737 B13R0.66 CCSCC(=O)NCCOCCOC WXVL_AK2206SB0002 [0,2,0,0,0,0|2,0,0]=4 738 B13R0.66 COCCC(=O)NCCCCCCO WXVL_AK0751SB0156 [0,2,0,0,0,0|1,0,0]=3 739 B13R0.66 COCCC(=O)NCCCCCCO WXVL_AK0751SB0156 [0,2,0,0,0,0|1,0,0]=3 740 B13R0.66 COCCOCCNC(=O)CCOC WXVL_AK2206SB0156 [0,2,0,0,0,0|2,0,0]=4 741 B13R0.66 COCCOCCNC(=O)CCOC WXVL_AK2206SB0156 [0,2,0,0,0,0|2,0,0]=4 742 B13R0.66 COCCOCCNC(=O)CCSC WXVL_AK2206SB0361 [0,2,0,0,0,0|2,0,0]=4 743 B13R0.66 COCCOCCNC(=O)CCSC WXVL_AK2206SB0361 [0,2,0,0,0,0|2,0,0]=4 744 B13R0.66 CSCCC(=O)NCCCCCCO WXVL_AK0751SB0361 [0,2,0,0,0,0|1,0,0]=3 745 B13R0.66 CSCCC(=O)NCCCCCCO WXVL_AK0751SB0361 [0,2,0,0,0,0|1,0,0]=3 746 B13R0.66 O=C(CCCCCCCBr)NCCF WXVL_AK00466SB0559 [0,2,0,0,0,0|2,0,0]=4 747 B13R0.66 O=C(CCCCCCCBr)NCCF WXVL_AK00466SB0559 [0,2,0,0,0,0|2,0,0]=4 748 B13R0.66 O=C(CCCCCCCO)NCCF WXVL_AK00466SB1306 [0,2,0,0,0,0|2,0,0]=4 749 B13R0.66 O=C(CCCCCCCO)NCCF WXVL_AK00466SB1306 [0,2,0,0,0,0|2,0,0]=4 750 B13R0.66 O=C(NCCCl)NCCCCCCO WXVL_AK0751YV0092 [0,2,0,0,0,0|2,0,0]=4 751 B13R0.66 O=C(NCCCl)NCCCCCCO WXVL_AK0751YV0092 [0,2,0,0,0,0|2,0,0]=4 752 B13R0.88 CCCC(=O)NCCCCCN(C)C WXVL_AK0956SB0073 [0,2,0,0,0,0|1,0,0]=3 753 B13R0.88 CCCC(=O)NCCCCCN(C)C WXVL_AK0956SB0073 [0,2,0,0,0,0|1,0,0]=3 754 B13R0.88 COCC(=O)NCCCCCN(C)C WXVL_AK0956SB0090 [0,2,0,0,0,0|2,0,0]=4 755 B13R0.88 COCC(=O)NCCCCCN(C)C WXVL_AK0956SB0090 [0,2,0,0,0,0|2,0,0]=4 756 B13R0.88 CSCC(=O)NCCCCCN(C)C WXVL_AK0956SB1267 [0,2,0,0,0,0|2,0,0]=4 757 B13R0.88 CSCC(=O)NCCCCCN(C)C WXVL_AK0956SB1267 [0,2,0,0,0,0|2,0,0]=4 758 B13R0.275 CC/C=C(\C)/C(=O)NCCCCCC WXVL_AK0286SB0037 [0,2,0,0,0,0|1,0,1]=4 759 B13R0.275 CC/C=C(\C)/C(=O)NCCCCCC WXVL_AK0286SB0037 [0,2,0,0,0,0|1,0,1]=4 760 B13R0.275 CCCC(C)C(=O)NCCCCCO WXVL_AK0077SB0352 [0,2,0,0,0,0|2,0,0]=4 761 B13R0.275 CCCC(C)C(=O)NCCCCCO WXVL_AK0077SB0352 [0,2,0,0,0,0|2,0,0]=4 762 B13R0.275 CCCC(C)C(=O)NCCCOCC WXVL_AK0072SB0352 [0,2,0,0,0,0|2,0,0]=4 763 B13R0.275 CCCC(C)C(=O)NCCCOCC WXVL_AK0072SB0352 [0,2,0,0,0,0|2,0,0]=4 764 B13R0.275 CCCCCCCC(=O)N(C)CCO WXVL_AN2670SB0393 [0,2,0,0,0,0|2,0,0]=4 765 B13R0.275 CCCCCCCC(=O)N(C)CCO WXVL_AN2670SB0393 [0,2,0,0,0,0|2,0,0]=4 766 B13R0.275 CCCCCCNC(=O)C(=O)OCC WXVL_AK0286SB4144 [0,2,0,0,0,0|1,0,1]=4 767 B13R0.275 CCCCCCNC(=O)C(=O)OCC WXVL_AK0286SB4144 [0,2,0,0,0,0|1,0,1]=4 768 B13R0.275 CCCCCCNC(=O)C(C)CCC WXVL_AK0286SB0352 [0,2,0,0,0,0|1,0,0]=3 769 B13R0.275 CCCCCCNC(=O)C(C)CCC WXVL_AK0286SB0352 [0,2,0,0,0,0|1,0,0]=3 770 B13R0.275 CCCCCCNC(=O)[C@@H](O)CCC WXVL_AK0286SB3627 [0,2,0,0,0,0|1,0,0]=3 771 B13R0.275 CCCCCCNC(=O)[C@@H](O)CCC WXVL_AK0286SB3627 [0,2,0,0,0,0|1,0,0]=3 772 B13R0.275 CCC[C@H](O)C(=O)NCCCCCO WXVL_AK0077SB3627 [0,2,0,0,0,0|2,0,0]=4 773 B13R0.275 CCC[C@H](O)C(=O)NCCCCCO WXVL_AK0077SB3627 [0,2,0,0,0,0|2,0,0]=4 774 B13R0.275 CCC[C@H](O)C(=O)NCCCOCC WXVL_AK0072SB3627 [0,2,0,0,0,0|2,0,0]=4 775 B13R0.275 CCC[C@H](O)C(=O)NCCCOCC WXVL_AK0072SB3627 [0,2,0,0,0,0|2,0,0]=4 776 B13R0.335 CC(C)CC(=O)NCCCCCCO WXVL_AK0751SB0063 [0,2,0,0,0,0|1,0,0]=3 777 B13R0.335 CC(C)CC(=O)NCCCCCCO WXVL_AK0751SB0063 [0,2,0,0,0,0|1,0,0]=3 778 B13R0.335 CC(C)NC(=O)CCCCCCCBr WXVL_AK0030SB0559 [0,2,0,0,0,0|2,0,0]=4 779 B13R0.335 CC(C)NC(=O)CCCCCCCBr WXVL_AK0030SB0559 [0,2,0,0,0,0|2,0,0]=4 780 B13R0.335 CC(C)NC(=O)CCCCCCCO WXVL_AK0030SB1306 [0,2,0,0,0,0|2,0,0]=4 781 B13R0.335 CC(C)NC(=O)CCCCCCCO WXVL_AK0030SB1306 [0,2,0,0,0,0|2,0,0]=4 782 B13R0.335 CC(O)CC(=O)NCCCCCCO WXVL_AK0751SB3643 [0,2,0,0,0,0|1,0,0]=3 783 B13R0.335 CC(O)CC(=O)NCCCCCCO WXVL_AK0751SB3643 [0,2,0,0,0,0|1,0,0]=3 784 B13R0.335 CCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0409 [0,2,0,0,0,0|2,0,0]=4 785 B13R0.335 CCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0409 [0,2,0,0,0,0|2,0,0]=4 786 B13R0.335 CCCCOCCNC(=O)CC(C)C WXVL_AK9674SB0063 [0,2,0,0,0,0|1,0,0]=3 787 B13R0.335 CCCCOCCNC(=O)CC(C)C WXVL_AK9674SB0063 [0,2,0,0,0,0|1,0,0]=3 788 B13R0.335 CCCCOCCNC(=O)CC(C)O WXVL_AK9674SB3643 [0,2,0,0,0,0|1,0,0]=3 789 B13R0.335 CCCCOCCNC(=O)CC(C)O WXVL_AK9674SB3643 [0,2,0,0,0,0|1,0,0]=3 790 B13R0.335 CCCCOCCNC(=O)CN(C)C WXVL_AK9674SB0085 [0,2,0,0,0,0|2,0,0]=4 791 B13R0.335 CCCCOCCNC(=O)CN(C)C WXVL_AK9674SB0085 [0,2,0,0,0,0|2,0,0]=4 792 B13R0.335 CN(C)CC(=O)NCCCCCCO WXVL_AK0751SB0085 [0,2,0,0,0,0|2,0,0]=4 793 B13R0.335 CN(C)CC(=O)NCCCCCCO WXVL_AK0751SB0085 [0,2,0,0,0,0|2,0,0]=4 794 B13R0.335 COCCOCCNC(=O)CC(C)C WXVL_AK2206SB0063 [0,2,0,0,0,0|2,0,0]=4 795 B13R0.335 COCCOCCNC(=O)CC(C)C WXVL_AK2206SB0063 [0,2,0,0,0,0|2,0,0]=4 796 B13R0.335 COCCOCCNC(=O)CC(C)O WXVL_AK2206SB3643 [0,2,0,0,0,0|2,0,0]=4 797 B13R0.335 COCCOCCNC(=O)CC(C)O WXVL_AK2206SB3643 [0,2,0,0,0,0|2,0,0]=4 798 B13R0.340 CCC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0344 [0,2,0,0,0,0|1,0,1]=4 799 B13R0.340 CCC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0344 [0,2,0,0,0,0|1,0,1]=4 800 B13R0.340 CCC(C)C(=O)NCCCCCCO WXVL_AK0751SB0054 [0,2,0,0,0,0|1,0,0]=3 801 B13R0.340 CCC(C)C(=O)NCCCCCCO WXVL_AK0751SB0054 [0,2,0,0,0,0|1,0,0]=3 802 B13R0.340 CCC(C)C(=O)NCCOCCOC WXVL_AK2206SB0054 [0,2,0,0,0,0|2,0,0]=4 803 B13R0.340 CCC(C)C(=O)NCCOCCOC WXVL_AK2206SB0054 [0,2,0,0,0,0|2,0,0]=4 804 B13R0.340 CCCCOCCNC(=O)C(=O)CC WXVL_AK9674SB0344 [0,2,0,0,0,0|1,0,1]=4 805 B13R0.340 CCCCOCCNC(=O)C(=O)CC WXVL_AK9674SB0344 [0,2,0,0,0,0|1,0,1]=4 806 B13R0.340 CCCCOCCNC(=O)C(C)CC WXVL_AK9674SB0054 [0,2,0,0,0,0|1,0,0]=3 807 B13R0.340 CCCCOCCNC(=O)C(C)CC WXVL_AK9674SB0054 [0,2,0,0,0,0|1,0,0]=3 808 B13R0.340 CCCCOCCNC(=O)[C@@H](C)OC WXVL_AK9674SB2926 [0,2,0,0,0,0|2,0,0]=4 809 B13R0.340 CCCCOCCNC(=O)[C@@H](C)OC WXVL_AK9674SB2926 [0,2,0,0,0,0|2,0,0]=4 810 B13R0.340 CCCCOCCNC(=O)[C@@H](O)CC WXVL_AK9674SB3573 [0,2,0,0,0,0|1,0,0]=3 811 B13R0.340 CCCCOCCNC(=O)[C@@H](O)CC WXVL_AK9674SB3573 [0,2,0,0,0,0|1,0,0]=3 812 B13R0.340 CCCCOCCNC(=O)[C@H](C)CC WXVL_AK9674SB00054 [0,2,0,0,0,0|1,0,0]=3 813 B13R0.340 CCCCOCCNC(=O)[C@H](C)CC WXVL_AK9674SB00054 [0,2,0,0,0,0|1,0,0]=3 814 B13R0.340 CC[C@@H](C)C(=O)NCCCCCCO WXVL_AK0751SB00054 [0,2,0,0,0,0|1,0,0]=3 815 B13R0.340 CC[C@@H](C)C(=O)NCCCCCCO WXVL_AK0751SB00054 [0,2,0,0,0,0|1,0,0]=3 816 B13R0.340 CC[C@@H](C)C(=O)NCCOCCOC WXVL_AK2206SB00054 [0,2,0,0,0,0|2,0,0]=4 817 B13R0.340 CC[C@@H](C)C(=O)NCCOCCOC WXVL_AK2206SB00054 [0,2,0,0,0,0|2,0,0]=4 818 B13R0.340 CC[C@H](O)C(=O)NCCCCCCO WXVL_AK0751SB3573 [0,2,0,0,0,0|1,0,0]=3 819 B13R0.340 CC[C@H](O)C(=O)NCCCCCCO WXVL_AK0751SB3573 [0,2,0,0,0,0|1,0,0]=3 820 B13R0.340 CC[C@H](O)C(=O)NCCOCCOC WXVL_AK2206SB3573 [0,2,0,0,0,0|2,0,0]=4 821 B13R0.340 CC[C@H](O)C(=O)NCCOCCOC WXVL_AK2206SB3573 [0,2,0,0,0,0|2,0,0]=4 822 B13R0.340 CO[C@H](C)C(=O)NCCCCCCO WXVL_AK0751SB2926 [0,2,0,0,0,0|2,0,0]=4 823 B13R0.340 CO[C@H](C)C(=O)NCCCCCCO WXVL_AK0751SB2926 [0,2,0,0,0,0|2,0,0]=4 824 B13R0.1338 CCCCOCCNS(=O)(=O)CCC WXVL_AK9674HU0030 [0,2,0,0,0,0|2,0,0]=4 825 B13R0.1338 CCCCOCCNS(=O)(=O)CCC WXVL_AK9674HU0030 [0,2,0,0,0,0|2,0,0]=4 826 B13R0.1338 CCCS(=O)(=O)NCCCCCCO WXVL_AK0751HU0030 [0,2,0,0,0,0|2,0,0]=4 827 B13R0.1338 CCCS(=O)(=O)NCCCCCCO WXVL_AK0751HU0030 [0,2,0,0,0,0|2,0,0]=4 828 B13R0.115 CCCCC(C)CCC(=O)NC(C)C WXVL_AK0030SB1315 [0,2,0,0,0,0|2,0,0]=4 829 B13R0.115 CCCCC(C)CCC(=O)NC(C)C WXVL_AK0030SB1315 [0,2,0,0,0,0|2,0,0]=4 830 B13R0.178 CC(C)CC(=O)NCCCCN(C)C WXVL_AK0097SB0063 [0,2,0,0,0,0|2,0,0]=4 831 B13R0.178 CC(C)CC(=O)NCCCCN(C)C WXVL_AK0097SB0063 [0,2,0,0,0,0|2,0,0]=4 832 B13R0.178 CC(O)CC(=O)NCCCCN(C)C WXVL_AK0097SB3643 [0,2,0,0,0,0|2,0,0]=4 833 B13R0.178 CC(O)CC(=O)NCCCCN(C)C WXVL_AK0097SB3643 [0,2,0,0,0,0|2,0,0]=4 834 B13R0.274 C#C[C@@H](C)NC(=O)CCCCCCC WXVL_AK00735SB0393 [0,2,0,0,0,0|2,0,0]=4 835 B13R0.274 C#C[C@@H](C)NC(=O)CCCCCCC WXVL_AK00735SB0393 [0,2,0,0,0,0|2,0,0]=4 836 B13R0.274 C=CC(C)NC(=O)CCCCCCC WXVL_AK00769SB0393 [0,2,0,0,0,0|2,0,0]=4 837 B13R0.274 C=CC(C)NC(=O)CCCCCCC WXVL_AK00769SB0393 [0,2,0,0,0,0|2,0,0]=4 838 B13R0.274 CCC(C)CC(=O)NCCCCCO WXVL_AK0077SB0353 [0,2,0,0,0,0|2,0,0]=4 839 B13R0.274 CCC(C)CC(=O)NCCCCCO WXVL_AK0077SB0353 [0,2,0,0,0,0|2,0,0]=4 840 B13R0.274 CCC(O)CC(=O)NCCCCCO WXVL_AK0077SB4092 [0,2,0,0,0,0|2,0,0]=4 841 B13R0.274 CCC(O)CC(=O)NCCCCCO WXVL_AK0077SB4092 [0,2,0,0,0,0|2,0,0]=4 842 B13R0.274 CCCCC/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB3331 [0,2,0,0,0,0|1,0,1]=4 843 B13R0.274 CCCCC/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB3331 [0,2,0,0,0,0|1,0,1]=4 844 B13R0.274 CCCCCCCC(=O)NC(C)C#N WXVL_AK00810SB0393 [0,2,0,0,0,0|2,0,0]=4 845 B13R0.274 CCCCCCCC(=O)NC(C)C#N WXVL_AK00810SB0393 [0,2,0,0,0,0|2,0,0]=4 846 B13R0.274 CCCCCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0393 [0,2,0,0,0,0|1,0,0]=3 847 B13R0.274 CCCCCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0393 [0,2,0,0,0,0|1,0,0]=3 848 B13R0.274 CCCCCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0393 [0,2,0,0,0,0|2,0,0]=4 849 B13R0.274 CCCCCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0393 [0,2,0,0,0,0|2,0,0]=4 850 B13R0.274 CCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0393 [0,2,0,0,0,0|2,0,0]=4 851 B13R0.274 CCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0393 [0,2,0,0,0,0|2,0,0]=4 852 B13R0.274 CCCCCCNC(=O)CC(=O)OC WXVL_AK0286SB2790 [0,2,0,0,0,0|1,0,1]=4 853 B13R0.274 CCCCCCNC(=O)CC(=O)OC WXVL_AK0286SB2790 [0,2,0,0,0,0|1,0,1]=4 854 B13R0.274 CCCCCCNC(=O)CC(C)CC WXVL_AK0286SB0353 [0,2,0,0,0,0|1,0,0]=3 855 B13R0.274 CCCCCCNC(=O)CC(C)CC WXVL_AK0286SB0353 [0,2,0,0,0,0|1,0,0]=3 856 B13R0.274 CCCCCCNC(=O)CC(O)CC WXVL_AK0286SB4092 [0,2,0,0,0,0|1,0,0]=3 857 B13R0.274 CCCCCCNC(=O)CC(O)CC WXVL_AK0286SB4092 [0,2,0,0,0,0|1,0,0]=3 858 B13R0.274 CCCCCCNC(=O)C[C@H](C)CC WXVL_AK0286SB8650 [0,2,0,0,0,0|1,0,0]=3 859 B13R0.274 CCCCCCNC(=O)C[C@H](C)CC WXVL_AK0286SB8650 [0,2,0,0,0,0|1,0,0]=3 860 B13R0.274 CCOCCCNC(=O)CC(C)CC WXVL_AK0072SB0353 [0,2,0,0,0,0|2,0,0]=4 861 B13R0.274 CCOCCCNC(=O)CC(C)CC WXVL_AK0072SB0353 [0,2,0,0,0,0|2,0,0]=4 862 B13R0.274 CCOCCCNC(=O)CC(O)CC WXVL_AK0072SB4092 [0,2,0,0,0,0|2,0,0]=4 863 B13R0.274 CCOCCCNC(=O)CC(O)CC WXVL_AK0072SB4092 [0,2,0,0,0,0|2,0,0]=4 864 B13R0.274 CCOCCCNC(=O)C[C@H](C)CC WXVL_AK0072SB8650 [0,2,0,0,0,0|2,0,0]=4 865 B13R0.274 CCOCCCNC(=O)C[C@H](C)CC WXVL_AK0072SB8650 [0,2,0,0,0,0|2,0,0]=4 866 B13R0.274 CC[C@@H](C)CC(=O)NCCCCCO WXVL_AK0077SB8650 [0,2,0,0,0,0|2,0,0]=4 867 B13R0.274 CC[C@@H](C)CC(=O)NCCCCCO WXVL_AK0077SB8650 [0,2,0,0,0,0|2,0,0]=4 868 B13R0.274 CC[C@H](C)NC(=O)CCCCCCBr WXVL_AK00678SB1386 [0,2,0,0,0,0|2,0,0]=4 869 B13R0.274 CC[C@H](C)NC(=O)CCCCCCBr WXVL_AK00678SB1386 [0,2,0,0,0,0|2,0,0]=4 870 B13R0.286 CC(C)(C)CC(=O)NCCCCCO WXVL_AK0077SB0062 [0,2,0,0,0,0|2,0,0]=4 871 B13R0.286 CC(C)(C)CC(=O)NCCCCCO WXVL_AK0077SB0062 [0,2,0,0,0,0|2,0,0]=4 872 B13R0.286 CC(C)(O)CC(=O)NCCCCCO WXVL_AK0077SB0163 [0,2,0,0,0,0|2,0,0]=4 873 B13R0.286 CC(C)(O)CC(=O)NCCCCCO WXVL_AK0077SB0163 [0,2,0,0,0,0|2,0,0]=4 874 B13R0.286 CCCCCCCC(=O)NC(C)(C)C WXVL_AK0024SB0393 [0,2,0,0,0,0|2,0,0]=4 875 B13R0.286 CCCCCCCC(=O)NC(C)(C)C WXVL_AK0024SB0393 [0,2,0,0,0,0|2,0,0]=4 876 B13R0.286 CCCCCCNC(=O)CC(C)(C)C WXVL_AK0286SB0062 [0,2,0,0,0,0|1,0,0]=3 877 B13R0.286 CCCCCCNC(=O)CC(C)(C)C WXVL_AK0286SB0062 [0,2,0,0,0,0|1,0,0]=3 878 B13R0.286 CCCCCCNC(=O)CC(C)(C)O WXVL_AK0286SB0163 [0,2,0,0,0,0|1,0,0]=3 879 B13R0.286 CCCCCCNC(=O)CC(C)(C)O WXVL_AK0286SB0163 [0,2,0,0,0,0|1,0,0]=3 880 B13R0.286 CCCCCCNC(=O)CC(F)(F)F WXVL_AK0286SB0177 [0,2,0,0,0,0|2,0,0]=4 881 B13R0.286 CCCCCCNC(=O)CC(F)(F)F WXVL_AK0286SB0177 [0,2,0,0,0,0|2,0,0]=4 882 B13R0.286 CCCCCCNC(=O)CS(=O)(=O)C WXVL_AK0286SB0162 [0,2,0,0,0,0|2,0,0]=4 883 B13R0.286 CCCCCCNC(=O)CS(=O)(=O)C WXVL_AK0286SB0162 [0,2,0,0,0,0|2,0,0]=4 884 B13R0.286 CCOCCCNC(=O)CC(C)(C)C WXVL_AK0072SB0062 [0,2,0,0,0,0|2,0,0]=4 885 B13R0.286 CCOCCCNC(=O)CC(C)(C)C WXVL_AK0072SB0062 [0,2,0,0,0,0|2,0,0]=4 886 B13R0.286 CCOCCCNC(=O)CC(C)(C)O WXVL_AK0072SB0163 [0,2,0,0,0,0|2,0,0]=4 887 B13R0.286 CCOCCCNC(=O)CC(C)(C)O WXVL_AK0072SB0163 [0,2,0,0,0,0|2,0,0]=4 888 B13R0.337 CC(C)C(O)C(=O)NCCCCCO WXVL_AK0077SB1147 [0,2,0,0,0,0|2,0,0]=4 889 B13R0.337 CC(C)C(O)C(=O)NCCCCCO WXVL_AK0077SB1147 [0,2,0,0,0,0|2,0,0]=4 890 B13R0.337 CCCCCCCC(=O)N(C)C(C)C WXVL_AN0073SB0393 [0,2,0,0,0,0|2,0,0]=4 891 B13R0.337 CCCCCCCC(=O)N(C)C(C)C WXVL_AN0073SB0393 [0,2,0,0,0,0|2,0,0]=4 892 B13R0.337 CCCCCCNC(=O)C(=O)C(C)C WXVL_AK0286SB2578 [0,2,0,0,0,0|1,0,1]=4 893 B13R0.337 CCCCCCNC(=O)C(=O)C(C)C WXVL_AK0286SB2578 [0,2,0,0,0,0|1,0,1]=4 894 B13R0.337 CCCCCCNC(=O)C(O)C(C)C WXVL_AK0286SB1147 [0,2,0,0,0,0|1,0,0]=3 895 B13R0.337 CCCCCCNC(=O)C(O)C(C)C WXVL_AK0286SB1147 [0,2,0,0,0,0|1,0,0]=3 896 B13R0.337 CCOCCCNC(=O)C(O)C(C)C WXVL_AK0072SB1147 [0,2,0,0,0,0|2,0,0]=4 897 B13R0.337 CCOCCCNC(=O)C(O)C(C)C WXVL_AK0072SB1147 [0,2,0,0,0,0|2,0,0]=4 898 B13R0.712 CCCCCCNS(=O)(=O)CC(C)C WXVL_AK0286HU0149 [0,2,0,0,0,0|2,0,0]=4 899 B13R0.712 CCCCCCNS(=O)(=O)CC(C)C WXVL_AK0286HU0149 [0,2,0,0,0,0|2,0,0]=4 900 B13R0.101 CCC(C)C(=O)NCCCCN(C)C WXVL_AK0097SB0054 [0,2,0,0,0,0|2,0,0]=4 901 B13R0.101 CCC(C)C(=O)NCCCCN(C)C WXVL_AK0097SB0054 [0,2,0,0,0,0|2,0,0]=4 902 B13R0.101 CC[C@@H](C)C(=O)NCCCCN(C)C WXVL_AK0097SB00054 [0,2,0,0,0,0|2,0,0]=4 903 B13R0.101 CC[C@@H](C)C(=O)NCCCCN(C)C WXVL_AK0097SB00054 [0,2,0,0,0,0|2,0,0]=4 904 B13R0.101 CC[C@H](O)C(=O)NCCCCN(C)C WXVL_AK0097SB3573 [0,2,0,0,0,0|2,0,0]=4 905 B13R0.101 CC[C@H](O)C(=O)NCCCCN(C)C WXVL_AK0097SB3573 [0,2,0,0,0,0|2,0,0]=4 906 B13R0.112 CCC(C)(C)C(=O)NCCCCCO WXVL_AK0077SB0355 [0,2,0,0,0,0|2,0,0]=4 907 B13R0.112 CCC(C)(C)C(=O)NCCCCCO WXVL_AK0077SB0355 [0,2,0,0,0,0|2,0,0]=4 908 B13R0.112 CCC(C)(O)C(=O)NCCCCCO WXVL_AK0077SB3009 [0,2,0,0,0,0|2,0,0]=4 909 B13R0.112 CCC(C)(O)C(=O)NCCCCCO WXVL_AK0077SB3009 [0,2,0,0,0,0|2,0,0]=4 910 B13R0.112 CCCCCCNC(=O)C(C)(C)CC WXVL_AK0286SB0355 [0,2,0,0,0,0|1,0,0]=3 911 B13R0.112 CCCCCCNC(=O)C(C)(C)CC WXVL_AK0286SB0355 [0,2,0,0,0,0|1,0,0]=3 912 B13R0.112 CCCCCCNC(=O)C(C)(C)CCl WXVL_AK0286SB3392 [0,2,0,0,0,0|2,0,0]=4 913 B13R0.112 CCCCCCNC(=O)C(C)(C)CCl WXVL_AK0286SB3392 [0,2,0,0,0,0|2,0,0]=4 914 B13R0.112 CCCCCCNC(=O)C(C)(C)OC WXVL_AK0286SB0207 [0,2,0,0,0,0|2,0,0]=4 915 B13R0.112 CCCCCCNC(=O)C(C)(C)OC WXVL_AK0286SB0207 [0,2,0,0,0,0|2,0,0]=4 916 B13R0.112 CCCCCCNC(=O)C(C)(O)CC WXVL_AK0286SB3009 [0,2,0,0,0,0|1,0,0]=3 917 B13R0.112 CCCCCCNC(=O)C(C)(O)CC WXVL_AK0286SB3009 [0,2,0,0,0,0|1,0,0]=3 918 B13R0.112 CCOCCCNC(=O)C(C)(C)CC WXVL_AK0072SB0355 [0,2,0,0,0,0|2,0,0]=4 919 B13R0.112 CCOCCCNC(=O)C(C)(C)CC WXVL_AK0072SB0355 [0,2,0,0,0,0|2,0,0]=4 920 B13R0.112 CCOCCCNC(=O)C(C)(O)CC WXVL_AK0072SB3009 [0,2,0,0,0,0|2,0,0]=4 921 B13R0.112 CCOCCCNC(=O)C(C)(O)CC WXVL_AK0072SB3009 [0,2,0,0,0,0|2,0,0]=4 922 B13R0.277 CCC(CC)C(=O)NCCCCCO WXVL_AK0077SB0055 [0,2,0,0,0,0|2,0,0]=4 923 B13R0.277 CCC(CC)C(=O)NCCCCCO WXVL_AK0077SB0055 [0,2,0,0,0,0|2,0,0]=4 924 B13R0.277 CCCCCCCC(=O)N(CC)CC WXVL_AN0042SB0393 [0,2,0,0,0,0|2,0,0]=4 925 B13R0.277 CCCCCCCC(=O)N(CC)CC WXVL_AN0042SB0393 [0,2,0,0,0,0|2,0,0]=4 926 B13R0.277 CCCCCCNC(=O)C(CC)CC WXVL_AK0286SB0055 [0,2,0,0,0,0|1,0,0]=3 927 B13R0.277 CCCCCCNC(=O)C(CC)CC WXVL_AK0286SB0055 [0,2,0,0,0,0|1,0,0]=3 928 B13R0.277 CCCCCCNC(=O)C(OC)OC WXVL_AK0286SB8546 [0,2,0,0,0,0|2,0,0]=4 929 B13R0.277 CCCCCCNC(=O)C(OC)OC WXVL_AK0286SB8546 [0,2,0,0,0,0|2,0,0]=4 930 B13R0.277 CCOCCCNC(=O)C(CC)CC WXVL_AK0072SB0055 [0,2,0,0,0,0|2,0,0]=4 931 B13R0.277 CCOCCCNC(=O)C(CC)CC WXVL_AK0072SB0055 [0,2,0,0,0,0|2,0,0]=4 932 B13R0.176 CCCCC(C)CCC(=O)NCCC WXVL_AK00504SB1315 [0,2,0,0,0,0|1,0,0]=3 933 B13R0.176 CCCCC(C)CCC(=O)NCCC WXVL_AK00504SB1315 [0,2,0,0,0,0|1,0,0]=3 934 B13R0.176 CCCCC(C)CCC(=O)NCCF WXVL_AK00466SB1315 [0,2,0,0,0,0|2,0,0]=4 935 B13R0.176 CCCCC(C)CCC(=O)NCCF WXVL_AK00466SB1315 [0,2,0,0,0,0|2,0,0]=4 936 B13R0.119 CCOCC(=O)NCCCCN(C)C WXVL_AK0097SB0091 [0,2,0,0,0,0|2,0,0]=4 937 B13R0.119 CCOCC(=O)NCCCCN(C)C WXVL_AK0097SB0091 [0,2,0,0,0,0|2,0,0]=4 938 B13R0.119 CCSCC(=O)NCCCCN(C)C WXVL_AK0097SB0002 [0,2,0,0,0,0|2,0,0]=4 939 B13R0.119 CCSCC(=O)NCCCCN(C)C WXVL_AK0097SB0002 [0,2,0,0,0,0|2,0,0]=4 940 B13R0.119 COCCC(=O)NCCCCN(C)C WXVL_AK0097SB0156 [0,2,0,0,0,0|2,0,0]=4 941 B13R0.119 COCCC(=O)NCCCCN(C)C WXVL_AK0097SB0156 [0,2,0,0,0,0|2,0,0]=4 942 B13R0.119 CSCCC(=O)NCCCCN(C)C WXVL_AK0097SB0361 [0,2,0,0,0,0|2,0,0]=4 943 B13R0.119 CSCCC(=O)NCCCCN(C)C WXVL_AK0097SB0361 [0,2,0,0,0,0|2,0,0]=4 944 B13R0.154 C=C(C)CNC(=O)CCCCCCC WXVL_AK0761SB0393 [0,2,0,0,0,0|1,0,1]=4 945 B13R0.154 C=C(C)CNC(=O)CCCCCCC WXVL_AK0761SB0393 [0,2,0,0,0,0|1,0,1]=4 946 B13R0.154 CC(=O)CCC(=O)NCCCCCO WXVL_AK0077SB0072 [0,2,0,0,0,0|2,0,0]=4 947 B13R0.154 CC(=O)CCC(=O)NCCCCCO WXVL_AK0077SB0072 [0,2,0,0,0,0|2,0,0]=4 948 B13R0.154 CC(C)CCC(=O)NCCCCCO WXVL_AK0077SB0354 [0,2,0,0,0,0|2,0,0]=4 949 B13R0.154 CC(C)CCC(=O)NCCCCCO WXVL_AK0077SB0354 [0,2,0,0,0,0|2,0,0]=4 950 B13R0.154 CC(C)CNC(=O)CCCCCCBr WXVL_AK00544SB1386 [0,2,0,0,0,0|2,0,0]=4 951 B13R0.154 CC(C)CNC(=O)CCCCCCBr WXVL_AK00544SB1386 [0,2,0,0,0,0|2,0,0]=4 952 B13R0.154 CC(C)OCC(=O)NCCCCCO WXVL_AK0077SB0213 [0,2,0,0,0,0|2,0,0]=4 953 B13R0.154 CC(C)OCC(=O)NCCCCCO WXVL_AK0077SB0213 [0,2,0,0,0,0|2,0,0]=4 954 B13R0.154 CC(O)CNC(=O)CCCCCCBr WXVL_AK0052SB1386 [0,2,0,0,0,0|2,0,0]=4 955 B13R0.154 CC(O)CNC(=O)CCCCCCBr WXVL_AK0052SB1386 [0,2,0,0,0,0|2,0,0]=4 956 B13R0.154 CCCCC/C=C/C(=O)NCC(C)C WXVL_AK00544SB3331 [0,2,0,0,0,0|1,0,1]=4 957 B13R0.154 CCCCC/C=C/C(=O)NCC(C)C WXVL_AK00544SB3331 [0,2,0,0,0,0|1,0,1]=4 958 B13R0.154 CCCCC/C=C/C(=O)NCC(C)O WXVL_AK0052SB3331 [0,2,0,0,0,0|1,0,1]=4 959 B13R0.154 CCCCC/C=C/C(=O)NCC(C)O WXVL_AK0052SB3331 [0,2,0,0,0,0|1,0,1]=4 960 B13R0.154 CCCCC/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB3331 [0,2,0,0,0,0|1,0,1]=4 961 B13R0.154 CCCCC/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB3331 [0,2,0,0,0,0|1,0,1]=4 962 B13R0.154 CCCCCCCC(=O)NCC(C)C WXVL_AK00544SB0393 [0,2,0,0,0,0|1,0,0]=3 963 B13R0.154 CCCCCCCC(=O)NCC(C)C WXVL_AK00544SB0393 [0,2,0,0,0,0|1,0,0]=3 964 B13R0.154 CCCCCCCC(=O)NCC(C)O WXVL_AK0052SB0393 [0,2,0,0,0,0|1,0,0]=3 965 B13R0.154 CCCCCCCC(=O)NCC(C)O WXVL_AK0052SB0393 [0,2,0,0,0,0|1,0,0]=3 966 B13R0.154 CCCCCCCC(=O)NCC(F)F WXVL_AK0136SB0393 [0,2,0,0,0,0|2,0,0]=4 967 B13R0.154 CCCCCCCC(=O)NCC(F)F WXVL_AK0136SB0393 [0,2,0,0,0,0|2,0,0]=4 968 B13R0.154 CCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB0393 [0,2,0,0,0,0|1,0,0]=3 969 B13R0.154 CCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB0393 [0,2,0,0,0,0|1,0,0]=3 970 B13R0.154 CCCCCCNC(=O)/C=C/C(C)C WXVL_AK0286SB0036 [0,2,0,0,0,0|1,0,1]=4 971 B13R0.154 CCCCCCNC(=O)/C=C/C(C)C WXVL_AK0286SB0036 [0,2,0,0,0,0|1,0,1]=4 972 B13R0.154 CCCCCCNC(=O)CCC(=O)C WXVL_AK0286SB0072 [0,2,0,0,0,0|1,0,0]=3 973 B13R0.154 CCCCCCNC(=O)CCC(=O)C WXVL_AK0286SB0072 [0,2,0,0,0,0|1,0,0]=3 974 B13R0.154 CCCCCCNC(=O)CCC(=O)N WXVL_AK0286SB0358 [0,2,0,0,0,0|1,0,1]=4 975 B13R0.154 CCCCCCNC(=O)CCC(=O)N WXVL_AK0286SB0358 [0,2,0,0,0,0|1,0,1]=4 976 B13R0.154 CCCCCCNC(=O)CCC(C)C WXVL_AK0286SB0354 [0,2,0,0,0,0|1,0,0]=3 977 B13R0.154 CCCCCCNC(=O)CCC(C)C WXVL_AK0286SB0354 [0,2,0,0,0,0|1,0,0]=3 978 B13R0.154 CCCCCCNC(=O)CCN(C)C WXVL_AK0286SB00052 [0,2,0,0,0,0|1,0,0]=3 979 B13R0.154 CCCCCCNC(=O)CCN(C)C WXVL_AK0286SB00052 [0,2,0,0,0,0|1,0,0]=3 980 B13R0.154 CCCCCCNC(=O)CNC(=O)C WXVL_AK0286SB0357 [0,2,0,0,0,0|1,0,1]=4 981 B13R0.154 CCCCCCNC(=O)CNC(=O)C WXVL_AK0286SB0357 [0,2,0,0,0,0|1,0,1]=4 982 B13R0.154 CCCCCCNC(=O)COC(=O)C WXVL_AK0286SB2824 [0,2,0,0,0,0|1,0,1]=4 983 B13R0.154 CCCCCCNC(=O)COC(=O)C WXVL_AK0286SB2824 [0,2,0,0,0,0|1,0,1]=4 984 B13R0.154 CCCCCCNC(=O)COC(C)C WXVL_AK0286SB0213 [0,2,0,0,0,0|1,0,0]=3 985 B13R0.154 CCCCCCNC(=O)COC(C)C WXVL_AK0286SB0213 [0,2,0,0,0,0|1,0,0]=3 986 B13R0.154 CCCCCCNC(=O)CSC(=O)C WXVL_AK0286SB3992 [0,2,0,0,0,0|1,0,1]=4 987 B13R0.154 CCCCCCNC(=O)CSC(=O)C WXVL_AK0286SB3992 [0,2,0,0,0,0|1,0,1]=4 988 B13R0.154 CCOCCCNC(=O)CCC(=O)C WXVL_AK0072SB0072 [0,2,0,0,0,0|2,0,0]=4 989 B13R0.154 CCOCCCNC(=O)CCC(=O)C WXVL_AK0072SB0072 [0,2,0,0,0,0|2,0,0]=4 990 B13R0.154 CCOCCCNC(=O)CCC(C)C WXVL_AK0072SB0354 [0,2,0,0,0,0|2,0,0]=4 991 B13R0.154 CCOCCCNC(=O)CCC(C)C WXVL_AK0072SB0354 [0,2,0,0,0,0|2,0,0]=4 992 B13R0.154 CCOCCCNC(=O)CCN(C)C WXVL_AK0072SB00052 [0,2,0,0,0,0|2,0,0]=4 993 B13R0.154 CCOCCCNC(=O)CCN(C)C WXVL_AK0072SB00052 [0,2,0,0,0,0|2,0,0]=4 994 B13R0.154 CCOCCCNC(=O)COC(C)C WXVL_AK0072SB0213 [0,2,0,0,0,0|2,0,0]=4 995 B13R0.154 CCOCCCNC(=O)COC(C)C WXVL_AK0072SB0213 [0,2,0,0,0,0|2,0,0]=4 996 B13R0.154 CN(C)CCC(=O)NCCCCCO WXVL_AK0077SB00052 [0,2,0,0,0,0|2,0,0]=4 997 B13R0.154 CN(C)CCC(=O)NCCCCCO WXVL_AK0077SB00052 [0,2,0,0,0,0|2,0,0]=4 998 B13R0.154 C[C@H](O)CNC(=O)CCCCCCBr WXVL_AK0113SB1386 [0,2,0,0,0,0|2,0,0]=4 999 B13R0.154 C[C@H](O)CNC(=O)CCCCCCBr WXVL_AK0113SB1386 [0,2,0,0,0,0|2,0,0]=4 1000 B13R0.338 C#CCCCC(=O)NCCCCCC WXVL_AK0286SB2709 [0,2,0,0,0,0|1,0,0]=3 1001 B13R0.338 C#CCCCC(=O)NCCCCCC WXVL_AK0286SB2709 [0,2,0,0,0,0|1,0,0]=3 1002 B13R0.338 C#CCCCC(=O)NCCCCCO WXVL_AK0077SB2709 [0,2,0,0,0,0|2,0,0]=4 1003 B13R0.338 C#CCCCC(=O)NCCCCCO WXVL_AK0077SB2709 [0,2,0,0,0,0|2,0,0]=4 1004 B13R0.338 C#CCCCC(=O)NCCCOCC WXVL_AK0072SB2709 [0,2,0,0,0,0|2,0,0]=4 1005 B13R0.338 C#CCCCC(=O)NCCCOCC WXVL_AK0072SB2709 [0,2,0,0,0,0|2,0,0]=4 1006 B13R0.338 C#CCCNC(=O)CCCCCCC WXVL_AK3109SB0393 [0,2,0,0,0,0|1,0,1]=4 1007 B13R0.338 C#CCCNC(=O)CCCCCCC WXVL_AK3109SB0393 [0,2,0,0,0,0|1,0,1]=4 1008 B13R0.338 C=CCCCC(=O)NCCCCCC WXVL_AK0286SB2920 [0,2,0,0,0,0|1,0,0]=3 1009 B13R0.338 C=CCCCC(=O)NCCCCCC WXVL_AK0286SB2920 [0,2,0,0,0,0|1,0,0]=3 1010 B13R0.338 C=CCCCC(=O)NCCCCCO WXVL_AK0077SB2920 [0,2,0,0,0,0|2,0,0]=4 1011 B13R0.338 C=CCCCC(=O)NCCCCCO WXVL_AK0077SB2920 [0,2,0,0,0,0|2,0,0]=4 1012 B13R0.338 C=CCCCC(=O)NCCCOCC WXVL_AK0072SB2920 [0,2,0,0,0,0|2,0,0]=4 1013 B13R0.338 C=CCCCC(=O)NCCCOCC WXVL_AK0072SB2920 [0,2,0,0,0,0|2,0,0]=4 1014 B13R0.338 C=CCCNC(=O)CCCCCCC WXVL_AK00138SB0393 [0,2,0,0,0,0|1,0,1]=4 1015 B13R0.338 C=CCCNC(=O)CCCCCCC WXVL_AK00138SB0393 [0,2,0,0,0,0|1,0,1]=4 1016 B13R0.338 CC/C=C/CC(=O)NCCCCCC WXVL_AK0286SB0349 [0,2,0,0,0,0|1,0,0]=3 1017 B13R0.338 CC/C=C/CC(=O)NCCCCCC WXVL_AK0286SB0349 [0,2,0,0,0,0|1,0,0]=3 1018 B13R0.338 CC/C=C/CC(=O)NCCCCCO WXVL_AK0077SB0349 [0,2,0,0,0,0|2,0,0]=4 1019 B13R0.338 CC/C=C/CC(=O)NCCCCCO WXVL_AK0077SB0349 [0,2,0,0,0,0|2,0,0]=4 1020 B13R0.338 CC/C=C/CC(=O)NCCCOCC WXVL_AK0072SB0349 [0,2,0,0,0,0|2,0,0]=4 1021 B13R0.338 CC/C=C/CC(=O)NCCCOCC WXVL_AK0072SB0349 [0,2,0,0,0,0|2,0,0]=4 1022 B13R0.338 CCCCC/C=C/C(=O)NCCCC WXVL_AK00588SB3331 [0,2,0,0,0,0|1,0,1]=4 1023 B13R0.338 CCCCC/C=C/C(=O)NCCCC WXVL_AK00588SB3331 [0,2,0,0,0,0|1,0,1]=4 1024 B13R0.338 CCCCC/C=C/C(=O)NCCCO WXVL_AK0073SB3331 [0,2,0,0,0,0|1,0,1]=4 1025 B13R0.338 CCCCC/C=C/C(=O)NCCCO WXVL_AK0073SB3331 [0,2,0,0,0,0|1,0,1]=4 1026 B13R0.338 CCCCC/C=C/C(=O)NCCSC WXVL_AK00440SB3331 [0,2,0,0,0,0|1,0,1]=4 1027 B13R0.338 CCCCC/C=C/C(=O)NCCSC WXVL_AK00440SB3331 [0,2,0,0,0,0|1,0,1]=4 1028 B13R0.338 CCCCCCCC(=O)NCCC#N WXVL_AK0087SB0393 [0,2,0,0,0,0|1,0,1]=4 1029 B13R0.338 CCCCCCCC(=O)NCCC#N WXVL_AK0087SB0393 [0,2,0,0,0,0|1,0,1]=4 1030 B13R0.338 CCCCCCCC(=O)NCCCC WXVL_AK00588SB0393 [0,2,0,0,0,0|1,0,0]=3 1031 B13R0.338 CCCCCCCC(=O)NCCCC WXVL_AK00588SB0393 [0,2,0,0,0,0|1,0,0]=3 1032 B13R0.338 CCCCCCCC(=O)NCCCO WXVL_AK0073SB0393 [0,2,0,0,0,0|1,0,0]=3 1033 B13R0.338 CCCCCCCC(=O)NCCCO WXVL_AK0073SB0393 [0,2,0,0,0,0|1,0,0]=3 1034 B13R0.338 CCCCCCCC(=O)NCCSC WXVL_AK00440SB0393 [0,2,0,0,0,0|1,0,0]=3 1035 B13R0.338 CCCCCCCC(=O)NCCSC WXVL_AK00440SB0393 [0,2,0,0,0,0|1,0,0]=3 1036 B13R0.338 CCCCCCNC(=O)/C=C/OCC WXVL_AK0286SB3226 [0,2,0,0,0,0|1,0,1]=4 1037 B13R0.338 CCCCCCNC(=O)/C=C/OCC WXVL_AK0286SB3226 [0,2,0,0,0,0|1,0,1]=4 1038 B13R0.338 CCCCCCNC(=O)CCCCBr WXVL_AK0286SB3153 [0,2,0,0,0,0|1,0,0]=3 1039 B13R0.338 CCCCCCNC(=O)CCCCBr WXVL_AK0286SB3153 [0,2,0,0,0,0|1,0,0]=3 1040 B13R0.338 CCCCCCNC(=O)CCCCCl WXVL_AK0286SB0379 [0,2,0,0,0,0|1,0,0]=3 1041 B13R0.338 CCCCCCNC(=O)CCCCCl WXVL_AK0286SB0379 [0,2,0,0,0,0|1,0,0]=3 1042 B13R0.338 CCCCCCNC(=O)NCCCCl WXVL_AK0286YV0130 [0,2,0,0,0,0|1,0,0]=3 1043 B13R0.338 CCCCCCNC(=O)NCCCCl WXVL_AK0286YV0130 [0,2,0,0,0,0|1,0,0]=3 1044 B13R0.338 CCCCNC(=O)CCCCCCBr WXVL_AK00588SB1386 [0,2,0,0,0,0|2,0,0]=4 1045 B13R0.338 CCCCNC(=O)CCCCCCBr WXVL_AK00588SB1386 [0,2,0,0,0,0|2,0,0]=4 1046 B13R0.338 CCOCCCNC(=O)CCCCBr WXVL_AK0072SB3153 [0,2,0,0,0,0|2,0,0]=4 1047 B13R0.338 CCOCCCNC(=O)CCCCBr WXVL_AK0072SB3153 [0,2,0,0,0,0|2,0,0]=4 1048 B13R0.338 CCOCCCNC(=O)CCCCCl WXVL_AK0072SB0379 [0,2,0,0,0,0|2,0,0]=4 1049 B13R0.338 CCOCCCNC(=O)CCCCCl WXVL_AK0072SB0379 [0,2,0,0,0,0|2,0,0]=4 1050 B13R0.338 CCOCCCNC(=O)NCCCCl WXVL_AK0072YV0130 [0,2,0,0,0,0|2,0,0]=4 1051 B13R0.338 CCOCCCNC(=O)NCCCCl WXVL_AK0072YV0130 [0,2,0,0,0,0|2,0,0]=4 1052 B13R0.338 CSCCNC(=O)CCCCCCBr WXVL_AK00440SB1386 [0,2,0,0,0,0|2,0,0]=4 1053 B13R0.338 CSCCNC(=O)CCCCCCBr WXVL_AK00440SB1386 [0,2,0,0,0,0|2,0,0]=4 1054 B13R0.338 O=C(CCCCBr)NCCCCCO WXVL_AK0077SB3153 [0,2,0,0,0,0|2,0,0]=4 1055 B13R0.338 O=C(CCCCBr)NCCCCCO WXVL_AK0077SB3153 [0,2,0,0,0,0|2,0,0]=4 1056 B13R0.338 O=C(CCCCCCBr)NCCCO WXVL_AK0073SB1386 [0,2,0,0,0,0|2,0,0]=4 1057 B13R0.338 O=C(CCCCCCBr)NCCCO WXVL_AK0073SB1386 [0,2,0,0,0,0|2,0,0]=4 1058 B13R0.338 O=C(CCCCCl)NCCCCCO WXVL_AK0077SB0379 [0,2,0,0,0,0|2,0,0]=4 1059 B13R0.338 O=C(CCCCCl)NCCCCCO WXVL_AK0077SB0379 [0,2,0,0,0,0|2,0,0]=4 1060 B13R0.338 O=C(NCCCCl)NCCCCCO WXVL_AK0077YV0130 [0,2,0,0,0,0|2,0,0]=4 1061 B13R0.338 O=C(NCCCCl)NCCCCCO WXVL_AK0077YV0130 [0,2,0,0,0,0|2,0,0]=4 1062 B13R0.689 CCCCCCNS(=O)(=O)CCCC WXVL_AK0286HU0031 [0,2,0,0,0,0|2,0,0]=4 1063 B13R0.689 CCCCCCNS(=O)(=O)CCCC WXVL_AK0286HU0031 [0,2,0,0,0,0|2,0,0]=4 1064 B13R0.689 CCCCCCNS(=O)(=O)CCCCl WXVL_AK0286HU0162 [0,2,0,0,0,0|2,0,0]=4 1065 B13R0.689 CCCCCCNS(=O)(=O)CCCCl WXVL_AK0286HU0162 [0,2,0,0,0,0|2,0,0]=4 1066 B13R0.689 CCCCCCNS(=O)(=O)CCOC WXVL_AK0286HU0155 [0,2,0,0,0,0|2,0,0]=4 1067 B13R0.689 CCCCCCNS(=O)(=O)CCOC WXVL_AK0286HU0155 [0,2,0,0,0,0|2,0,0]=4 1068 B13R0.331 CCCC(=O)NC(C)CCCC(C)C WXVL_AK00574SB0073 [0,2,0,0,0,0|1,0,0]=3 1069 B13R0.331 CCCC(=O)NC(C)CCCC(C)C WXVL_AK00574SB0073 [0,2,0,0,0,0|1,0,0]=3 1070 B13R0.331 COCC(=O)NC(C)CCCC(C)C WXVL_AK00574SB0090 [0,2,0,0,0,0|2,0,0]=4 1071 B13R0.331 COCC(=O)NC(C)CCCC(C)C WXVL_AK00574SB0090 [0,2,0,0,0,0|2,0,0]=4 1072 B13R0.331 CSCC(=O)NC(C)CCCC(C)C WXVL_AK00574SB1267 [0,2,0,0,0,0|2,0,0]=4 1073 B13R0.331 CSCC(=O)NC(C)CCCC(C)C WXVL_AK00574SB1267 [0,2,0,0,0,0|2,0,0]=4 1074 B11R1.16 CCCC(=O)N1CCOCC1 WXVL_AN00478SB0073 [1,0,0,1,0,0|2,0,0]=4 1075 B11R1.16 CCCC(=O)N1CCOCC1 WXVL_AN00478SB0073 [1,0,0,1,0,0|2,0,0]=4 1076 B11R1.16 CCCC(=O)N1CCSCC1 WXVL_AN0896SB0073 [1,0,0,1,0,0|2,0,0]=4 1077 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [1,0,0,1,0,0|1,0,0]=3 1078 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [1,0,0,1,0,0|1,0,0]=3 1079 B11R1.16 CCNC(=O)C1CCCCO1 WXVL_AK00476SB0206 [1,0,0,1,0,0|2,0,0]=4 1080 B11R1.16 CCNC(=O)C1CCCCO1 WXVL_AK00476SB0206 [1,0,0,1,0,0|2,0,0]=4 1081 B11R1.16 CCNC(=O)C1CCOCC1 WXVL_AK00476SB0149 [1,0,0,1,0,0|2,0,0]=4 1082 B11R1.16 CCNC(=O)C1CCOCC1 WXVL_AK00476SB0149 [1,0,0,1,0,0|2,0,0]=4 1083 B11R1.16 CCNC(=O)C1CCSCC1 WXVL_AK00476SB0752 [1,0,0,1,0,0|2,0,0]=4 1084 B11R1.16 CCNC(=O)C1CCSCC1 WXVL_AK00476SB0752 [1,0,0,1,0,0|2,0,0]=4 1085 B11R1.16 CCNC(=O)[C@H]1CCCCO1 WXVL_AK00476SB00044 [1,0,0,1,0,0|2,0,0]=4 1086 B11R1.16 CCNC(=O)[C@H]1CCCCO1 WXVL_AK00476SB00044 [1,0,0,1,0,0|2,0,0]=4 1087 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [1,0,0,1,0,0|1,0,0]=3 1088 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [1,0,0,1,0,0|1,0,0]=3 1089 B11R1.30 CCNC(=O)CN1CCCC1 WXVL_AK00476SB0201 [1,0,0,1,0,0|2,0,0]=4 1090 B11R1.30 CCNC(=O)CN1CCCC1 WXVL_AK00476SB0201 [1,0,0,1,0,0|2,0,0]=4 1091 B11R1.199 CCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0073 [1,0,0,1,0,0|1,0,0]=3 1092 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [1,0,0,1,0,0|1,0,0]=3 1093 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [1,0,0,1,0,0|1,0,0]=3 1094 B11R1.199 CCNC(=O)[C@@H]1CCCN1C WXVL_AK00476SB1197 [1,0,0,1,0,0|2,0,0]=4 1095 B11R1.199 CCNC(=O)[C@@H]1CCCN1C WXVL_AK00476SB1197 [1,0,0,1,0,0|2,0,0]=4 1096 B11R1.199 COCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0090 [1,0,0,1,0,0|2,0,0]=4 1097 B11R1.199 CSCC(=O)N1CCC[C@H]1C WXVL_AN00593SB1267 [1,0,0,1,0,0|2,0,0]=4 1098 B11R1.200 CCCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0073 [1,0,0,1,0,0|2,0,0]=4 1099 B11R1.200 CCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0073 [1,0,0,1,0,0|2,0,0]=4 1100 B11R1.200 CCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0073 [1,0,0,1,0,0|2,0,0]=4 1101 B11R1.289 CCCC(=O)NCC1CCC1 WXVL_AK00492SB0073 [1,0,0,1,0,0|1,0,0]=3 1102 B11R1.289 CCCC(=O)NCC1CCC1 WXVL_AK00492SB0073 [1,0,0,1,0,0|1,0,0]=3 1103 B11R1.289 CCCC(=O)NCC1CCO1 WXVL_AK1433SB0073 [1,0,0,1,0,0|2,0,0]=4 1104 B11R1.289 CCCC(=O)NCC1CCO1 WXVL_AK1433SB0073 [1,0,0,1,0,0|2,0,0]=4 1105 B11R1.289 CCCC(=O)NCC1COC1 WXVL_AK0186SB0073 [1,0,0,1,0,0|2,0,0]=4 1106 B11R1.289 CCCC(=O)NCC1COC1 WXVL_AK0186SB0073 [1,0,0,1,0,0|2,0,0]=4 1107 B11R1.289 CCNC(=O)CCC1CCC1 WXVL_AK00476SB8784 [1,0,0,1,0,0|1,0,0]=3 1108 B11R1.289 CCNC(=O)CCC1CCC1 WXVL_AK00476SB8784 [1,0,0,1,0,0|1,0,0]=3 1109 B11R1.289 COCC(=O)NCC1CCC1 WXVL_AK00492SB0090 [1,0,0,1,0,0|2,0,0]=4 1110 B11R1.289 COCC(=O)NCC1CCC1 WXVL_AK00492SB0090 [1,0,0,1,0,0|2,0,0]=4 1111 B11R1.289 CSCC(=O)NCC1CCC1 WXVL_AK00492SB1267 [1,0,0,1,0,0|2,0,0]=4 1112 B11R1.289 CSCC(=O)NCC1CCC1 WXVL_AK00492SB1267 [1,0,0,1,0,0|2,0,0]=4 1113 B11R1.290 CCCC(=O)NCCC1CC1 WXVL_AK00594SB0073 [1,0,0,1,0,0|1,0,0]=3 1114 B11R1.290 CCCC(=O)NCCC1CC1 WXVL_AK00594SB0073 [1,0,0,1,0,0|1,0,0]=3 1115 B11R1.290 COCC(=O)NCCC1CC1 WXVL_AK00594SB0090 [1,0,0,1,0,0|2,0,0]=4 1116 B11R1.290 COCC(=O)NCCC1CC1 WXVL_AK00594SB0090 [1,0,0,1,0,0|2,0,0]=4 1117 B11R1.290 CSCC(=O)NCCC1CC1 WXVL_AK00594SB1267 [1,0,0,1,0,0|2,0,0]=4 1118 B11R1.290 CSCC(=O)NCCC1CC1 WXVL_AK00594SB1267 [1,0,0,1,0,0|2,0,0]=4 1119 B11R1.356 CCCCCNC(=O)C1CC1 WXVL_AK0076SB0038 [1,0,0,1,0,0|1,0,0]=3 1120 B11R1.356 CCCCCNC(=O)C1CC1 WXVL_AK0076SB0038 [1,0,0,1,0,0|1,0,0]=3 1121 B11R1.356 CCSCCNC(=O)C1CC1 WXVL_AK00494SB0038 [1,0,0,1,0,0|2,0,0]=4 1122 B11R1.356 CCSCCNC(=O)C1CC1 WXVL_AK00494SB0038 [1,0,0,1,0,0|2,0,0]=4 1123 B11R1.356 COCCCNC(=O)C1CC1 WXVL_AK00637SB0038 [1,0,0,1,0,0|2,0,0]=4 1124 B11R1.356 COCCCNC(=O)C1CC1 WXVL_AK00637SB0038 [1,0,0,1,0,0|2,0,0]=4 1125 B11R1.356 CSCCCNC(=O)C1CC1 WXVL_AK0965SB0038 [1,0,0,1,0,0|2,0,0]=4 1126 B11R1.356 CSCCCNC(=O)C1CC1 WXVL_AK0965SB0038 [1,0,0,1,0,0|2,0,0]=4 1127 B11R1.356 O=C(NCCCCO)C1CC1 WXVL_AK0075SB0038 [1,0,0,1,0,0|2,0,0]=4 1128 B11R1.356 O=C(NCCCCO)C1CC1 WXVL_AK0075SB0038 [1,0,0,1,0,0|2,0,0]=4 1129 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [1,0,0,1,0,0|1,0,0]=3 1130 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [1,0,0,1,0,0|1,0,0]=3 1131 B11R1.25 CCC(=O)NCC1CCOC1 WXVL_AK00634SB0064 [1,0,0,1,0,0|2,0,0]=4 1132 B11R1.25 CCC(=O)NCC1CCOC1 WXVL_AK00634SB0064 [1,0,0,1,0,0|2,0,0]=4 1133 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0064 [1,0,0,1,0,0|2,0,0]=4 1134 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0064 [1,0,0,1,0,0|2,0,0]=4 1135 B11R1.25 CCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0064 [1,0,0,1,0,0|2,0,0]=4 1136 B11R1.25 CCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0064 [1,0,0,1,0,0|2,0,0]=4 1137 B11R1.25 CNC(=O)CCC1CCCC1 WXVL_AK00442SB0045 [1,0,0,1,0,0|2,0,0]=4 1138 B11R1.25 CNC(=O)CCC1CCCC1 WXVL_AK00442SB0045 [1,0,0,1,0,0|2,0,0]=4 1139 B11R1.25 O=C(CO)NCC1CCCC1 WXVL_AK0303SB2706 [1,0,0,1,0,0|2,0,0]=4 1140 B11R1.25 O=C(CO)NCC1CCCC1 WXVL_AK0303SB2706 [1,0,0,1,0,0|2,0,0]=4 1141 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [1,0,0,1,0,0|1,0,0]=3 1142 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [1,0,0,1,0,0|1,0,0]=3 1143 B11R1.40 CCC(=O)NC1CCCOC1 WXVL_AK1073SB0064 [1,0,0,1,0,0|2,0,0]=4 1144 B11R1.40 CCC(=O)NC1CCCOC1 WXVL_AK1073SB0064 [1,0,0,1,0,0|2,0,0]=4 1145 B11R1.40 O=C(CO)NC1CCCCC1 WXVL_AK00480SB2706 [1,0,0,1,0,0|2,0,0]=4 1146 B11R1.40 O=C(CO)NC1CCCCC1 WXVL_AK00480SB2706 [1,0,0,1,0,0|2,0,0]=4 1147 B11R1.59 CCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0064 [1,0,0,1,0,0|2,0,0]=4 1148 B11R1.222 CCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0064 [1,0,0,1,0,0|1,0,0]=3 1149 B11R1.222 CCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0064 [1,0,0,1,0,0|2,0,0]=4 1150 B11R1.222 CCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0064 [1,0,0,1,0,0|2,0,0]=4 1151 B11R1.222 CCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0064 [1,0,0,1,0,0|2,0,0]=4 1152 B11R1.222 C[C@H]1CCCCN1C(=O)CO WXVL_AN00851SB2706 [1,0,0,1,0,0|2,0,0]=4 1153 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [1,0,0,1,0,0|1,0,0]=3 1154 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [1,0,0,1,0,0|1,0,0]=3 1155 B11R1.236 O=C(CO)NCCC1CCC1 WXVL_AK2418SB2706 [1,0,0,1,0,0|2,0,0]=4 1156 B11R1.236 O=C(CO)NCCC1CCC1 WXVL_AK2418SB2706 [1,0,0,1,0,0|2,0,0]=4 1157 B11R1.852 CCC(=O)N1CCCOCC1 WXVL_AN00350SB0064 [1,0,0,1,0,0|2,0,0]=4 1158 B11R1.852 CCC(=O)N1CCCOCC1 WXVL_AN00350SB0064 [1,0,0,1,0,0|2,0,0]=4 1159 B11R1.852 CNC(=O)C1CCCCCC1 WXVL_AK00442SB0385 [1,0,0,1,0,0|2,0,0]=4 1160 B11R1.852 CNC(=O)C1CCCCCC1 WXVL_AK00442SB0385 [1,0,0,1,0,0|2,0,0]=4 1161 B13R1.42 CCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0073 [0,1,0,1,0,0|1,0,0]=3 1162 B13R1.42 CCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0073 [0,1,0,1,0,0|1,0,0]=3 1163 B13R1.42 CCCC(=O)NCC1CCCOC1 WXVL_AK00150SB0073 [0,1,0,1,0,0|1,0,0]=3 1164 B13R1.42 CCCC(=O)NCC1CCCOC1 WXVL_AK00150SB0073 [0,1,0,1,0,0|1,0,0]=3 1165 B13R1.42 CCCC(=O)NCC1CCOCC1 WXVL_AK0150SB0073 [0,1,0,1,0,0|1,0,0]=3 1166 B13R1.42 CCCC(=O)NCC1CCOCC1 WXVL_AK0150SB0073 [0,1,0,1,0,0|1,0,0]=3 1167 B13R1.42 CCCC(=O)NCC1CCSCC1 WXVL_AK00654SB0073 [0,1,0,1,0,0|1,0,0]=3 1168 B13R1.42 CCCC(=O)NCC1CCSCC1 WXVL_AK00654SB0073 [0,1,0,1,0,0|1,0,0]=3 1169 B13R1.42 CCCC(=O)NCC1CNCCO1 WXVL_AK1379SB0073 [0,1,0,1,0,0|2,0,0]=4 1170 B13R1.42 CCCC(=O)NCC1CNCCO1 WXVL_AK1379SB0073 [0,1,0,1,0,0|2,0,0]=4 1171 B13R1.42 CCCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0073 [0,1,0,1,0,0|2,0,0]=4 1172 B13R1.42 CCCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0073 [0,1,0,1,0,0|2,0,0]=4 1173 B13R1.42 CCNC(=O)/C=C/C1CCCCC1 WXVL_AK00476SB5384 [0,1,0,1,0,0|2,0,0]=4 1174 B13R1.42 CCNC(=O)/C=C/C1CCCCC1 WXVL_AK00476SB5384 [0,1,0,1,0,0|2,0,0]=4 1175 B13R1.42 CCNC(=O)CCC1CCCCC1 WXVL_AK00476SB0049 [0,1,0,1,0,0|2,0,0]=4 1176 B13R1.42 CCNC(=O)CCC1CCCCC1 WXVL_AK00476SB0049 [0,1,0,1,0,0|2,0,0]=4 1177 B13R1.42 CCNC(=O)CCN1CCCCC1 WXVL_AK00476SB0127 [0,1,0,1,0,0|2,0,0]=4 1178 B13R1.42 CCNC(=O)CCN1CCCCC1 WXVL_AK00476SB0127 [0,1,0,1,0,0|2,0,0]=4 1179 B13R1.42 CCNC(=O)COC1CCCCC1 WXVL_AK00476SB3400 [0,1,0,1,0,0|1,0,0]=3 1180 B13R1.42 CCNC(=O)COC1CCCCC1 WXVL_AK00476SB3400 [0,1,0,1,0,0|1,0,0]=3 1181 B13R1.42 COCC(=O)NCC1CCCCO1 WXVL_AK1232SB0090 [0,1,0,1,0,0|2,0,0]=4 1182 B13R1.42 COCC(=O)NCC1CCCCO1 WXVL_AK1232SB0090 [0,1,0,1,0,0|2,0,0]=4 1183 B13R1.42 COCC(=O)NCC1CCCOC1 WXVL_AK00150SB0090 [0,1,0,1,0,0|2,0,0]=4 1184 B13R1.42 COCC(=O)NCC1CCCOC1 WXVL_AK00150SB0090 [0,1,0,1,0,0|2,0,0]=4 1185 B13R1.42 COCC(=O)NCC1CCOCC1 WXVL_AK0150SB0090 [0,1,0,1,0,0|2,0,0]=4 1186 B13R1.42 COCC(=O)NCC1CCOCC1 WXVL_AK0150SB0090 [0,1,0,1,0,0|2,0,0]=4 1187 B13R1.42 COCC(=O)NCC1CCSCC1 WXVL_AK00654SB0090 [0,1,0,1,0,0|2,0,0]=4 1188 B13R1.42 COCC(=O)NCC1CCSCC1 WXVL_AK00654SB0090 [0,1,0,1,0,0|2,0,0]=4 1189 B13R1.42 CSCC(=O)NCC1CCCCO1 WXVL_AK1232SB1267 [0,1,0,1,0,0|2,0,0]=4 1190 B13R1.42 CSCC(=O)NCC1CCCCO1 WXVL_AK1232SB1267 [0,1,0,1,0,0|2,0,0]=4 1191 B13R1.42 CSCC(=O)NCC1CCCOC1 WXVL_AK00150SB1267 [0,1,0,1,0,0|2,0,0]=4 1192 B13R1.42 CSCC(=O)NCC1CCCOC1 WXVL_AK00150SB1267 [0,1,0,1,0,0|2,0,0]=4 1193 B13R1.42 CSCC(=O)NCC1CCOCC1 WXVL_AK0150SB1267 [0,1,0,1,0,0|2,0,0]=4 1194 B13R1.42 CSCC(=O)NCC1CCOCC1 WXVL_AK0150SB1267 [0,1,0,1,0,0|2,0,0]=4 1195 B13R1.42 CSCC(=O)NCC1CCSCC1 WXVL_AK00654SB1267 [0,1,0,1,0,0|2,0,0]=4 1196 B13R1.42 CSCC(=O)NCC1CCSCC1 WXVL_AK00654SB1267 [0,1,0,1,0,0|2,0,0]=4 1197 B13R1.404 CCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0073 [0,1,0,1,0,0|1,0,0]=3 1198 B13R1.404 CCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0073 [0,1,0,1,0,0|1,0,0]=3 1199 B13R1.404 COCC(=O)NCCC1CCCC1 WXVL_AK00531SB0090 [0,1,0,1,0,0|2,0,0]=4 1200 B13R1.404 COCC(=O)NCCC1CCCC1 WXVL_AK00531SB0090 [0,1,0,1,0,0|2,0,0]=4 1201 B13R1.404 CSCC(=O)NCCC1CCCC1 WXVL_AK00531SB1267 [0,1,0,1,0,0|2,0,0]=4 1202 B13R1.404 CSCC(=O)NCCC1CCCC1 WXVL_AK00531SB1267 [0,1,0,1,0,0|2,0,0]=4 1203 B13R1.444 CCCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0073 [0,1,0,1,0,0|1,0,0]=3 1204 B13R1.444 CCCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0073 [0,1,0,1,0,0|1,0,0]=3 1205 B13R1.444 COCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0090 [0,1,0,1,0,0|2,0,0]=4 1206 B13R1.444 COCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0090 [0,1,0,1,0,0|2,0,0]=4 1207 B13R1.444 CSCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB1267 [0,1,0,1,0,0|2,0,0]=4 1208 B13R1.444 CSCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB1267 [0,1,0,1,0,0|2,0,0]=4 1209 B13R1.464 CCCC(=O)N1CCCCC1C#N WXVL_AN00871SB0073 [0,1,0,1,0,0|1,0,1]=4 1210 B13R1.464 CCCC(=O)N1CCCCC1CO WXVL_AN0018SB0073 [0,1,0,1,0,0|1,0,0]=3 1211 B13R1.464 CCCC(=O)N1CCCCC1CO WXVL_AN0018SB0073 [0,1,0,1,0,0|1,0,0]=3 1212 B13R1.464 CCCC(=O)N1CCOCC1CO WXVL_AN00501SB0073 [0,1,0,1,0,0|2,0,0]=4 1213 B13R1.464 CCCC(=O)N1CCOCC1CO WXVL_AN00501SB0073 [0,1,0,1,0,0|2,0,0]=4 1214 B13R1.464 COCC(=O)N1CCCCC1CO WXVL_AN0018SB0090 [0,1,0,1,0,0|2,0,0]=4 1215 B13R1.464 COCC(=O)N1CCCCC1CO WXVL_AN0018SB0090 [0,1,0,1,0,0|2,0,0]=4 1216 B13R1.464 CSCC(=O)N1CCCCC1CO WXVL_AN0018SB1267 [0,1,0,1,0,0|2,0,0]=4 1217 B13R1.464 CSCC(=O)N1CCCCC1CO WXVL_AN0018SB1267 [0,1,0,1,0,0|2,0,0]=4 1218 B13R1.3151 CCCCOCCNC(=O)C1CC1 WXVL_AK9674SB0038 [0,1,0,1,0,0|1,0,0]=3 1219 B13R1.3151 CCCCOCCNC(=O)C1CC1 WXVL_AK9674SB0038 [0,1,0,1,0,0|1,0,0]=3 1220 B13R1.3151 COCCOCCNC(=O)C1CC1 WXVL_AK2206SB0038 [0,1,0,1,0,0|2,0,0]=4 1221 B13R1.3151 COCCOCCNC(=O)C1CC1 WXVL_AK2206SB0038 [0,1,0,1,0,0|2,0,0]=4 1222 B13R1.3151 O=C(NCCCCCCO)C1CC1 WXVL_AK0751SB0038 [0,1,0,1,0,0|1,0,0]=3 1223 B13R1.3151 O=C(NCCCCCCO)C1CC1 WXVL_AK0751SB0038 [0,1,0,1,0,0|1,0,0]=3 1224 B13R1.201 CC(C)CC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0063 [0,1,0,1,0,0|1,0,0]=3 1225 B13R1.201 CC(C)CC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0063 [0,1,0,1,0,0|2,0,0]=4 1226 B13R1.201 CC(C)CC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0063 [0,1,0,1,0,0|2,0,0]=4 1227 B13R1.201 CC(C)CC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0063 [0,1,0,1,0,0|2,0,0]=4 1228 B13R1.201 CC(O)CC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB3643 [0,1,0,1,0,0|1,0,0]=3 1229 B13R1.201 CC(O)CC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB3643 [0,1,0,1,0,0|2,0,0]=4 1230 B13R1.201 CC(O)CC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB3643 [0,1,0,1,0,0|2,0,0]=4 1231 B13R1.201 CC(O)CC(=O)N1CCOC[C@H]1C WXVL_AN00562SB3643 [0,1,0,1,0,0|2,0,0]=4 1232 B13R1.201 C[C@H]1CCCCN1C(=O)CN(C)C WXVL_AN00851SB0085 [0,1,0,1,0,0|2,0,0]=4 1233 B13R1.348 CC(C)CC(=O)NC1CCCCC1 WXVL_AK00480SB0063 [0,1,0,1,0,0|1,0,0]=3 1234 B13R1.348 CC(C)CC(=O)NC1CCCCC1 WXVL_AK00480SB0063 [0,1,0,1,0,0|1,0,0]=3 1235 B13R1.348 CC(C)CC(=O)NC1CCCOC1 WXVL_AK1073SB0063 [0,1,0,1,0,0|2,0,0]=4 1236 B13R1.348 CC(C)CC(=O)NC1CCCOC1 WXVL_AK1073SB0063 [0,1,0,1,0,0|2,0,0]=4 1237 B13R1.348 CC(O)CC(=O)NC1CCCCC1 WXVL_AK00480SB3643 [0,1,0,1,0,0|1,0,0]=3 1238 B13R1.348 CC(O)CC(=O)NC1CCCCC1 WXVL_AK00480SB3643 [0,1,0,1,0,0|1,0,0]=3 1239 B13R1.348 CC(O)CC(=O)NC1CCCOC1 WXVL_AK1073SB3643 [0,1,0,1,0,0|2,0,0]=4 1240 B13R1.348 CC(O)CC(=O)NC1CCCOC1 WXVL_AK1073SB3643 [0,1,0,1,0,0|2,0,0]=4 1241 B13R1.348 CN(C)CC(=O)NC1CCCCC1 WXVL_AK00480SB0085 [0,1,0,1,0,0|2,0,0]=4 1242 B13R1.348 CN(C)CC(=O)NC1CCCCC1 WXVL_AK00480SB0085 [0,1,0,1,0,0|2,0,0]=4 1243 B13R1.593 CC(C)CC(=O)NCC1CCCC1 WXVL_AK0303SB0063 [0,1,0,1,0,0|1,0,0]=3 1244 B13R1.593 CC(C)CC(=O)NCC1CCCC1 WXVL_AK0303SB0063 [0,1,0,1,0,0|1,0,0]=3 1245 B13R1.593 CC(C)CC(=O)NCC1CCOC1 WXVL_AK00634SB0063 [0,1,0,1,0,0|2,0,0]=4 1246 B13R1.593 CC(C)CC(=O)NCC1CCOC1 WXVL_AK00634SB0063 [0,1,0,1,0,0|2,0,0]=4 1247 B13R1.593 CC(C)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0063 [0,1,0,1,0,0|2,0,0]=4 1248 B13R1.593 CC(C)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0063 [0,1,0,1,0,0|2,0,0]=4 1249 B13R1.593 CC(C)CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0063 [0,1,0,1,0,0|2,0,0]=4 1250 B13R1.593 CC(C)CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0063 [0,1,0,1,0,0|2,0,0]=4 1251 B13R1.593 CC(C)NC(=O)CCC1CCCC1 WXVL_AK0030SB0045 [0,1,0,1,0,0|2,0,0]=4 1252 B13R1.593 CC(C)NC(=O)CCC1CCCC1 WXVL_AK0030SB0045 [0,1,0,1,0,0|2,0,0]=4 1253 B13R1.593 CC(O)CC(=O)NCC1CCCC1 WXVL_AK0303SB3643 [0,1,0,1,0,0|1,0,0]=3 1254 B13R1.593 CC(O)CC(=O)NCC1CCCC1 WXVL_AK0303SB3643 [0,1,0,1,0,0|1,0,0]=3 1255 B13R1.593 CC(O)CC(=O)NCC1CCOC1 WXVL_AK00634SB3643 [0,1,0,1,0,0|2,0,0]=4 1256 B13R1.593 CC(O)CC(=O)NCC1CCOC1 WXVL_AK00634SB3643 [0,1,0,1,0,0|2,0,0]=4 1257 B13R1.593 CC(O)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB3643 [0,1,0,1,0,0|2,0,0]=4 1258 B13R1.593 CC(O)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB3643 [0,1,0,1,0,0|2,0,0]=4 1259 B13R1.593 CC(O)CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB3643 [0,1,0,1,0,0|2,0,0]=4 1260 B13R1.593 CC(O)CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB3643 [0,1,0,1,0,0|2,0,0]=4 1261 B13R1.593 CN(C)CC(=O)NCC1CCCC1 WXVL_AK0303SB0085 [0,1,0,1,0,0|2,0,0]=4 1262 B13R1.593 CN(C)CC(=O)NCC1CCCC1 WXVL_AK0303SB0085 [0,1,0,1,0,0|2,0,0]=4 1263 B13R1.2027 CC(C)CC(=O)NCCC1CCC1 WXVL_AK2418SB0063 [0,1,0,1,0,0|1,0,0]=3 1264 B13R1.2027 CC(C)CC(=O)NCCC1CCC1 WXVL_AK2418SB0063 [0,1,0,1,0,0|1,0,0]=3 1265 B13R1.2027 CC(O)CC(=O)NCCC1CCC1 WXVL_AK2418SB3643 [0,1,0,1,0,0|1,0,0]=3 1266 B13R1.2027 CC(O)CC(=O)NCCC1CCC1 WXVL_AK2418SB3643 [0,1,0,1,0,0|1,0,0]=3 1267 B13R1.2027 CN(C)CC(=O)NCCC1CCC1 WXVL_AK2418SB0085 [0,1,0,1,0,0|2,0,0]=4 1268 B13R1.2027 CN(C)CC(=O)NCCC1CCC1 WXVL_AK2418SB0085 [0,1,0,1,0,0|2,0,0]=4 1269 B13R1.2800 CC(C)CC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0063 [0,1,0,1,0,0|2,0,0]=4 1270 B13R1.2800 CC(O)CC(=O)N1CCC[C@H]1CO WXVL_AN0917SB3643 [0,1,0,1,0,0|2,0,0]=4 1271 B13R1.3574 CCCCC/C=C/C(=O)NC1CC1 WXVL_AK0001SB3331 [0,1,0,1,0,0|1,0,1]=4 1272 B13R1.3574 CCCCC/C=C/C(=O)NC1CC1 WXVL_AK0001SB3331 [0,1,0,1,0,0|1,0,1]=4 1273 B13R1.3574 CCCCCCCC(=O)NC1CC1 WXVL_AK0001SB0393 [0,1,0,1,0,0|1,0,0]=3 1274 B13R1.3574 CCCCCCCC(=O)NC1CC1 WXVL_AK0001SB0393 [0,1,0,1,0,0|1,0,0]=3 1275 B13R1.3574 CCCCCCNC(=O)CC1CC1 WXVL_AK0286SB0155 [0,1,0,1,0,0|1,0,0]=3 1276 B13R1.3574 CCCCCCNC(=O)CC1CC1 WXVL_AK0286SB0155 [0,1,0,1,0,0|1,0,0]=3 1277 B13R1.3574 CCOCCCNC(=O)CC1CC1 WXVL_AK0072SB0155 [0,1,0,1,0,0|2,0,0]=4 1278 B13R1.3574 CCOCCCNC(=O)CC1CC1 WXVL_AK0072SB0155 [0,1,0,1,0,0|2,0,0]=4 1279 B13R1.3574 O=C(CC1CC1)NCCCCCO WXVL_AK0077SB0155 [0,1,0,1,0,0|2,0,0]=4 1280 B13R1.3574 O=C(CC1CC1)NCCCCCO WXVL_AK0077SB0155 [0,1,0,1,0,0|2,0,0]=4 1281 B13R1.3574 O=C(CCCCCCBr)NC1CC1 WXVL_AK0001SB1386 [0,1,0,1,0,0|2,0,0]=4 1282 B13R1.3574 O=C(CCCCCCBr)NC1CC1 WXVL_AK0001SB1386 [0,1,0,1,0,0|2,0,0]=4 1283 B13R1.6366 CC1CC1C(=O)NCCCCCO WXVL_AK0077SB0041 [0,1,0,1,0,0|2,0,0]=4 1284 B13R1.6366 CC1CC1C(=O)NCCCCCO WXVL_AK0077SB0041 [0,1,0,1,0,0|2,0,0]=4 1285 B13R1.6366 CCCCCCNC(=O)C1CC1C WXVL_AK0286SB0041 [0,1,0,1,0,0|1,0,0]=3 1286 B13R1.6366 CCCCCCNC(=O)C1CC1C WXVL_AK0286SB0041 [0,1,0,1,0,0|1,0,0]=3 1287 B13R1.6366 CCCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK0286SB1245 [0,1,0,1,0,0|1,0,0]=3 1288 B13R1.6366 CCCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK0286SB1245 [0,1,0,1,0,0|1,0,0]=3 1289 B13R1.6366 CCCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK0286SB00019 [0,1,0,1,0,0|1,0,0]=3 1290 B13R1.6366 CCCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK0286SB00019 [0,1,0,1,0,0|1,0,0]=3 1291 B13R1.6366 CCOCCCNC(=O)C1CC1C WXVL_AK0072SB0041 [0,1,0,1,0,0|2,0,0]=4 1292 B13R1.6366 CCOCCCNC(=O)C1CC1C WXVL_AK0072SB0041 [0,1,0,1,0,0|2,0,0]=4 1293 B13R1.6366 CCOCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK0072SB1245 [0,1,0,1,0,0|2,0,0]=4 1294 B13R1.6366 CCOCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK0072SB1245 [0,1,0,1,0,0|2,0,0]=4 1295 B13R1.6366 CCOCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK0072SB00019 [0,1,0,1,0,0|2,0,0]=4 1296 B13R1.6366 CCOCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK0072SB00019 [0,1,0,1,0,0|2,0,0]=4 1297 B13R1.6366 O=C(NCCCCCO)[C@@H]1C[C@@H]1F WXVL_AK0077SB1245 [0,1,0,1,0,0|2,0,0]=4 1298 B13R1.6366 O=C(NCCCCCO)[C@@H]1C[C@@H]1F WXVL_AK0077SB1245 [0,1,0,1,0,0|2,0,0]=4 1299 B13R1.6366 O=C(NCCCCCO)[C@H]1C[C@H]1F WXVL_AK0077SB00019 [0,1,0,1,0,0|2,0,0]=4 1300 B13R1.6366 O=C(NCCCCCO)[C@H]1C[C@H]1F WXVL_AK0077SB00019 [0,1,0,1,0,0|2,0,0]=4 1301 B13R1.7456 CC(C)CC(=O)N1CCCOCC1 WXVL_AN00350SB0063 [0,1,0,1,0,0|2,0,0]=4 1302 B13R1.7456 CC(C)CC(=O)N1CCCOCC1 WXVL_AN00350SB0063 [0,1,0,1,0,0|2,0,0]=4 1303 B13R1.7456 CC(C)NC(=O)C1CCCCCC1 WXVL_AK0030SB0385 [0,1,0,1,0,0|2,0,0]=4 1304 B13R1.7456 CC(C)NC(=O)C1CCCCCC1 WXVL_AK0030SB0385 [0,1,0,1,0,0|2,0,0]=4 1305 B13R1.7456 CC(O)CC(=O)N1CCCOCC1 WXVL_AN00350SB3643 [0,1,0,1,0,0|2,0,0]=4 1306 B13R1.7456 CC(O)CC(=O)N1CCCOCC1 WXVL_AN00350SB3643 [0,1,0,1,0,0|2,0,0]=4 1307 B13R1.102 CCC(C)C(=O)N1CCC[C@H]1CO WXVL_AN0917SB0054 [0,1,0,1,0,0|2,0,0]=4 1308 B13R1.102 CC[C@@H](C)C(=O)N1CCC[C@H]1CO WXVL_AN0917SB00054 [0,1,0,1,0,0|2,0,0]=4 1309 B13R1.102 CC[C@H](O)C(=O)N1CCC[C@H]1CO WXVL_AN0917SB3573 [0,1,0,1,0,0|2,0,0]=4 1310 B13R1.135 CCC(=O)C(=O)NC1CCCCC1 WXVL_AK00480SB0344 [0,1,0,1,0,0|1,0,1]=4 1311 B13R1.135 CCC(=O)C(=O)NC1CCCCC1 WXVL_AK00480SB0344 [0,1,0,1,0,0|1,0,1]=4 1312 B13R1.135 CCC(C)C(=O)NC1CCCCC1 WXVL_AK00480SB0054 [0,1,0,1,0,0|1,0,0]=3 1313 B13R1.135 CCC(C)C(=O)NC1CCCCC1 WXVL_AK00480SB0054 [0,1,0,1,0,0|1,0,0]=3 1314 B13R1.135 CCC(C)C(=O)NC1CCCOC1 WXVL_AK1073SB0054 [0,1,0,1,0,0|2,0,0]=4 1315 B13R1.135 CCC(C)C(=O)NC1CCCOC1 WXVL_AK1073SB0054 [0,1,0,1,0,0|2,0,0]=4 1316 B13R1.135 CC[C@@H](C)C(=O)NC1CCCCC1 WXVL_AK00480SB00054 [0,1,0,1,0,0|1,0,0]=3 1317 B13R1.135 CC[C@@H](C)C(=O)NC1CCCCC1 WXVL_AK00480SB00054 [0,1,0,1,0,0|1,0,0]=3 1318 B13R1.135 CC[C@@H](C)C(=O)NC1CCCOC1 WXVL_AK1073SB00054 [0,1,0,1,0,0|2,0,0]=4 1319 B13R1.135 CC[C@@H](C)C(=O)NC1CCCOC1 WXVL_AK1073SB00054 [0,1,0,1,0,0|2,0,0]=4 1320 B13R1.135 CC[C@H](O)C(=O)NC1CCCCC1 WXVL_AK00480SB3573 [0,1,0,1,0,0|1,0,0]=3 1321 B13R1.135 CC[C@H](O)C(=O)NC1CCCCC1 WXVL_AK00480SB3573 [0,1,0,1,0,0|1,0,0]=3 1322 B13R1.135 CC[C@H](O)C(=O)NC1CCCOC1 WXVL_AK1073SB3573 [0,1,0,1,0,0|2,0,0]=4 1323 B13R1.135 CC[C@H](O)C(=O)NC1CCCOC1 WXVL_AK1073SB3573 [0,1,0,1,0,0|2,0,0]=4 1324 B13R1.135 CO[C@H](C)C(=O)NC1CCCCC1 WXVL_AK00480SB2926 [0,1,0,1,0,0|2,0,0]=4 1325 B13R1.135 CO[C@H](C)C(=O)NC1CCCCC1 WXVL_AK00480SB2926 [0,1,0,1,0,0|2,0,0]=4 1326 B13R1.554 CCC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB0344 [0,1,0,1,0,0|1,0,1]=4 1327 B13R1.554 CCC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB0344 [0,1,0,1,0,0|1,0,1]=4 1328 B13R1.554 CCC(C)C(=O)NCC1CCCC1 WXVL_AK0303SB0054 [0,1,0,1,0,0|1,0,0]=3 1329 B13R1.554 CCC(C)C(=O)NCC1CCCC1 WXVL_AK0303SB0054 [0,1,0,1,0,0|1,0,0]=3 1330 B13R1.554 CCC(C)C(=O)NCC1CCOC1 WXVL_AK00634SB0054 [0,1,0,1,0,0|2,0,0]=4 1331 B13R1.554 CCC(C)C(=O)NCC1CCOC1 WXVL_AK00634SB0054 [0,1,0,1,0,0|2,0,0]=4 1332 B13R1.554 CCC(C)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0054 [0,1,0,1,0,0|2,0,0]=4 1333 B13R1.554 CCC(C)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0054 [0,1,0,1,0,0|2,0,0]=4 1334 B13R1.554 CCC(C)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0054 [0,1,0,1,0,0|2,0,0]=4 1335 B13R1.554 CCC(C)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0054 [0,1,0,1,0,0|2,0,0]=4 1336 B13R1.554 CC[C@@H](C)C(=O)NCC1CCCC1 WXVL_AK0303SB00054 [0,1,0,1,0,0|1,0,0]=3 1337 B13R1.554 CC[C@@H](C)C(=O)NCC1CCCC1 WXVL_AK0303SB00054 [0,1,0,1,0,0|1,0,0]=3 1338 B13R1.554 CC[C@@H](C)C(=O)NCC1CCOC1 WXVL_AK00634SB00054 [0,1,0,1,0,0|2,0,0]=4 1339 B13R1.554 CC[C@@H](C)C(=O)NCC1CCOC1 WXVL_AK00634SB00054 [0,1,0,1,0,0|2,0,0]=4 1340 B13R1.554 CC[C@@H](C)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB00054 [0,1,0,1,0,0|2,0,0]=4 1341 B13R1.554 CC[C@@H](C)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB00054 [0,1,0,1,0,0|2,0,0]=4 1342 B13R1.554 CC[C@@H](C)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB00054 [0,1,0,1,0,0|2,0,0]=4 1343 B13R1.554 CC[C@@H](C)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB00054 [0,1,0,1,0,0|2,0,0]=4 1344 B13R1.554 CC[C@H](O)C(=O)NCC1CCCC1 WXVL_AK0303SB3573 [0,1,0,1,0,0|1,0,0]=3 1345 B13R1.554 CC[C@H](O)C(=O)NCC1CCCC1 WXVL_AK0303SB3573 [0,1,0,1,0,0|1,0,0]=3 1346 B13R1.554 CC[C@H](O)C(=O)NCC1CCOC1 WXVL_AK00634SB3573 [0,1,0,1,0,0|2,0,0]=4 1347 B13R1.554 CC[C@H](O)C(=O)NCC1CCOC1 WXVL_AK00634SB3573 [0,1,0,1,0,0|2,0,0]=4 1348 B13R1.554 CC[C@H](O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB3573 [0,1,0,1,0,0|2,0,0]=4 1349 B13R1.554 CC[C@H](O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB3573 [0,1,0,1,0,0|2,0,0]=4 1350 B13R1.554 CC[C@H](O)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB3573 [0,1,0,1,0,0|2,0,0]=4 1351 B13R1.554 CC[C@H](O)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB3573 [0,1,0,1,0,0|2,0,0]=4 1352 B13R1.554 CO[C@H](C)C(=O)NCC1CCCC1 WXVL_AK0303SB2926 [0,1,0,1,0,0|2,0,0]=4 1353 B13R1.554 CO[C@H](C)C(=O)NCC1CCCC1 WXVL_AK0303SB2926 [0,1,0,1,0,0|2,0,0]=4 1354 B13R1.696 CCC(=O)C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0344 [0,1,0,1,0,0|1,0,1]=4 1355 B13R1.696 CCC(C)C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0054 [0,1,0,1,0,0|1,0,0]=3 1356 B13R1.696 CCC(C)C(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0054 [0,1,0,1,0,0|2,0,0]=4 1357 B13R1.696 CCC(C)C(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0054 [0,1,0,1,0,0|2,0,0]=4 1358 B13R1.696 CCC(C)C(=O)N1CCOC[C@H]1C WXVL_AN00562SB0054 [0,1,0,1,0,0|2,0,0]=4 1359 B13R1.696 CC[C@@H](C)C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB00054 [0,1,0,1,0,0|1,0,0]=3 1360 B13R1.696 CC[C@@H](C)C(=O)N1CCOC[C@@H]1C WXVL_AN00472SB00054 [0,1,0,1,0,0|2,0,0]=4 1361 B13R1.696 CC[C@@H](C)C(=O)N1CCOC[C@@H]1C WXVL_AN00472SB00054 [0,1,0,1,0,0|2,0,0]=4 1362 B13R1.696 CC[C@@H](C)C(=O)N1CCOC[C@H]1C WXVL_AN00562SB00054 [0,1,0,1,0,0|2,0,0]=4 1363 B13R1.696 CC[C@H](O)C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB3573 [0,1,0,1,0,0|1,0,0]=3 1364 B13R1.696 CC[C@H](O)C(=O)N1CCOC[C@@H]1C WXVL_AN00472SB3573 [0,1,0,1,0,0|2,0,0]=4 1365 B13R1.696 CC[C@H](O)C(=O)N1CCOC[C@@H]1C WXVL_AN00472SB3573 [0,1,0,1,0,0|2,0,0]=4 1366 B13R1.696 CC[C@H](O)C(=O)N1CCOC[C@H]1C WXVL_AN00562SB3573 [0,1,0,1,0,0|2,0,0]=4 1367 B13R1.696 CO[C@H](C)C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB2926 [0,1,0,1,0,0|2,0,0]=4 1368 B13R1.702 CCC(=O)C(=O)NCCC1CCC1 WXVL_AK2418SB0344 [0,1,0,1,0,0|1,0,1]=4 1369 B13R1.702 CCC(=O)C(=O)NCCC1CCC1 WXVL_AK2418SB0344 [0,1,0,1,0,0|1,0,1]=4 1370 B13R1.702 CCC(C)C(=O)NCCC1CCC1 WXVL_AK2418SB0054 [0,1,0,1,0,0|1,0,0]=3 1371 B13R1.702 CCC(C)C(=O)NCCC1CCC1 WXVL_AK2418SB0054 [0,1,0,1,0,0|1,0,0]=3 1372 B13R1.702 CC[C@@H](C)C(=O)NCCC1CCC1 WXVL_AK2418SB00054 [0,1,0,1,0,0|1,0,0]=3 1373 B13R1.702 CC[C@@H](C)C(=O)NCCC1CCC1 WXVL_AK2418SB00054 [0,1,0,1,0,0|1,0,0]=3 1374 B13R1.702 CC[C@H](O)C(=O)NCCC1CCC1 WXVL_AK2418SB3573 [0,1,0,1,0,0|1,0,0]=3 1375 B13R1.702 CC[C@H](O)C(=O)NCCC1CCC1 WXVL_AK2418SB3573 [0,1,0,1,0,0|1,0,0]=3 1376 B13R1.702 CO[C@H](C)C(=O)NCCC1CCC1 WXVL_AK2418SB2926 [0,1,0,1,0,0|2,0,0]=4 1377 B13R1.702 CO[C@H](C)C(=O)NCCC1CCC1 WXVL_AK2418SB2926 [0,1,0,1,0,0|2,0,0]=4 1378 B13R1.2620 CCC(C)C(=O)N1CCCOCC1 WXVL_AN00350SB0054 [0,1,0,1,0,0|2,0,0]=4 1379 B13R1.2620 CCC(C)C(=O)N1CCCOCC1 WXVL_AN00350SB0054 [0,1,0,1,0,0|2,0,0]=4 1380 B13R1.2620 CC[C@@H](C)C(=O)N1CCCOCC1 WXVL_AN00350SB00054 [0,1,0,1,0,0|2,0,0]=4 1381 B13R1.2620 CC[C@@H](C)C(=O)N1CCCOCC1 WXVL_AN00350SB00054 [0,1,0,1,0,0|2,0,0]=4 1382 B13R1.2620 CC[C@H](O)C(=O)N1CCCOCC1 WXVL_AN00350SB3573 [0,1,0,1,0,0|2,0,0]=4 1383 B13R1.2620 CC[C@H](O)C(=O)N1CCCOCC1 WXVL_AN00350SB3573 [0,1,0,1,0,0|2,0,0]=4 1384 B13R1.3572 CCCCCCNC(=O)C1CCC1 WXVL_AK0286SB0042 [0,1,0,1,0,0|1,0,0]=3 1385 B13R1.3572 CCCCCCNC(=O)C1CCC1 WXVL_AK0286SB0042 [0,1,0,1,0,0|1,0,0]=3 1386 B13R1.3572 CCOCCCNC(=O)C1CCC1 WXVL_AK0072SB0042 [0,1,0,1,0,0|2,0,0]=4 1387 B13R1.3572 CCOCCCNC(=O)C1CCC1 WXVL_AK0072SB0042 [0,1,0,1,0,0|2,0,0]=4 1388 B13R1.3572 O=C(NCCCCCO)C1CCC1 WXVL_AK0077SB0042 [0,1,0,1,0,0|2,0,0]=4 1389 B13R1.3572 O=C(NCCCCCO)C1CCC1 WXVL_AK0077SB0042 [0,1,0,1,0,0|2,0,0]=4 1390 B13R1.3573 CC1(CC1)C(=O)NCCCCCO WXVL_AK0077SB0040 [0,1,0,1,0,0|2,0,0]=4 1391 B13R1.3573 CC1(CC1)C(=O)NCCCCCO WXVL_AK0077SB0040 [0,1,0,1,0,0|2,0,0]=4 1392 B13R1.3573 CCCCCCNC(=O)C1(CC1)Br WXVL_AK0286SB5517 [0,1,0,1,0,0|1,0,0]=3 1393 B13R1.3573 CCCCCCNC(=O)C1(CC1)Br WXVL_AK0286SB5517 [0,1,0,1,0,0|1,0,0]=3 1394 B13R1.3573 CCCCCCNC(=O)C1(CC1)C WXVL_AK0286SB0040 [0,1,0,1,0,0|1,0,0]=3 1395 B13R1.3573 CCCCCCNC(=O)C1(CC1)C WXVL_AK0286SB0040 [0,1,0,1,0,0|1,0,0]=3 1396 B13R1.3573 CCCCCCNC(=O)C1(CC1)F WXVL_AK0286SB0218 [0,1,0,1,0,0|1,0,0]=3 1397 B13R1.3573 CCCCCCNC(=O)C1(CC1)F WXVL_AK0286SB0218 [0,1,0,1,0,0|1,0,0]=3 1398 B13R1.3573 CCCCCCNC(=O)C1(CC1)O WXVL_AK0286SB2965 [0,1,0,1,0,0|1,0,0]=3 1399 B13R1.3573 CCCCCCNC(=O)C1(CC1)O WXVL_AK0286SB2965 [0,1,0,1,0,0|1,0,0]=3 1400 B13R1.3573 CCOCCCNC(=O)C1(CC1)Br WXVL_AK0072SB5517 [0,1,0,1,0,0|2,0,0]=4 1401 B13R1.3573 CCOCCCNC(=O)C1(CC1)Br WXVL_AK0072SB5517 [0,1,0,1,0,0|2,0,0]=4 1402 B13R1.3573 CCOCCCNC(=O)C1(CC1)C WXVL_AK0072SB0040 [0,1,0,1,0,0|2,0,0]=4 1403 B13R1.3573 CCOCCCNC(=O)C1(CC1)C WXVL_AK0072SB0040 [0,1,0,1,0,0|2,0,0]=4 1404 B13R1.3573 CCOCCCNC(=O)C1(CC1)F WXVL_AK0072SB0218 [0,1,0,1,0,0|2,0,0]=4 1405 B13R1.3573 CCOCCCNC(=O)C1(CC1)F WXVL_AK0072SB0218 [0,1,0,1,0,0|2,0,0]=4 1406 B13R1.3573 CCOCCCNC(=O)C1(CC1)O WXVL_AK0072SB2965 [0,1,0,1,0,0|2,0,0]=4 1407 B13R1.3573 CCOCCCNC(=O)C1(CC1)O WXVL_AK0072SB2965 [0,1,0,1,0,0|2,0,0]=4 1408 B13R1.3573 O=C(NCCCCCO)C1(CC1)Br WXVL_AK0077SB5517 [0,1,0,1,0,0|2,0,0]=4 1409 B13R1.3573 O=C(NCCCCCO)C1(CC1)Br WXVL_AK0077SB5517 [0,1,0,1,0,0|2,0,0]=4 1410 B13R1.3573 O=C(NCCCCCO)C1(CC1)F WXVL_AK0077SB0218 [0,1,0,1,0,0|2,0,0]=4 1411 B13R1.3573 O=C(NCCCCCO)C1(CC1)F WXVL_AK0077SB0218 [0,1,0,1,0,0|2,0,0]=4 1412 B13R1.3573 O=C(NCCCCCO)C1(CC1)O WXVL_AK0077SB2965 [0,1,0,1,0,0|2,0,0]=4 1413 B13R1.3573 O=C(NCCCCCO)C1(CC1)O WXVL_AK0077SB2965 [0,1,0,1,0,0|2,0,0]=4 1414 B13R1.41 CCCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0073 [0,1,0,1,0,0|1,0,0]=3 1415 B13R1.41 CCCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0073 [0,1,0,1,0,0|1,0,0]=3 1416 B13R1.41 COCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0090 [0,1,0,1,0,0|2,0,0]=4 1417 B13R1.41 COCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0090 [0,1,0,1,0,0|2,0,0]=4 1418 B13R1.41 CSCC(=O)NCC1CCC(C1)F WXVL_AK00226SB1267 [0,1,0,1,0,0|2,0,0]=4 1419 B13R1.41 CSCC(=O)NCC1CCC(C1)F WXVL_AK00226SB1267 [0,1,0,1,0,0|2,0,0]=4 1420 B13R1.153 C#CCCC(=O)NCC1CCCC1 WXVL_AK0303SB2189 [0,1,0,1,0,0|1,0,1]=4 1421 B13R1.153 C#CCCC(=O)NCC1CCCC1 WXVL_AK0303SB2189 [0,1,0,1,0,0|1,0,1]=4 1422 B13R1.153 C=CCCC(=O)NCC1CCCC1 WXVL_AK0303SB1035 [0,1,0,1,0,0|1,0,1]=4 1423 B13R1.153 C=CCCC(=O)NCC1CCCC1 WXVL_AK0303SB1035 [0,1,0,1,0,0|1,0,1]=4 1424 B13R1.153 CCCNC(=O)/C=C/C1CCCC1 WXVL_AK00504SB5314 [0,1,0,1,0,0|1,0,1]=4 1425 B13R1.153 CCCNC(=O)/C=C/C1CCCC1 WXVL_AK00504SB5314 [0,1,0,1,0,0|1,0,1]=4 1426 B13R1.153 CCCNC(=O)CCC1CCCC1 WXVL_AK00504SB0045 [0,1,0,1,0,0|1,0,0]=3 1427 B13R1.153 CCCNC(=O)CCC1CCCC1 WXVL_AK00504SB0045 [0,1,0,1,0,0|1,0,0]=3 1428 B13R1.153 CCCNC(=O)CCN1CCCC1 WXVL_AK00504SB0766 [0,1,0,1,0,0|2,0,0]=4 1429 B13R1.153 CCCNC(=O)CCN1CCCC1 WXVL_AK00504SB0766 [0,1,0,1,0,0|2,0,0]=4 1430 B13R1.153 CCCNC(=O)COC1CCCC1 WXVL_AK00504SB0754 [0,1,0,1,0,0|2,0,0]=4 1431 B13R1.153 CCCNC(=O)COC1CCCC1 WXVL_AK00504SB0754 [0,1,0,1,0,0|2,0,0]=4 1432 B13R1.153 CCOCC(=O)NCC1CCCC1 WXVL_AK0303SB0091 [0,1,0,1,0,0|1,0,0]=3 1433 B13R1.153 CCOCC(=O)NCC1CCCC1 WXVL_AK0303SB0091 [0,1,0,1,0,0|1,0,0]=3 1434 B13R1.153 CCOCC(=O)NCC1CCOC1 WXVL_AK00634SB0091 [0,1,0,1,0,0|2,0,0]=4 1435 B13R1.153 CCOCC(=O)NCC1CCOC1 WXVL_AK00634SB0091 [0,1,0,1,0,0|2,0,0]=4 1436 B13R1.153 CCOCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0091 [0,1,0,1,0,0|2,0,0]=4 1437 B13R1.153 CCOCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0091 [0,1,0,1,0,0|2,0,0]=4 1438 B13R1.153 CCOCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0091 [0,1,0,1,0,0|2,0,0]=4 1439 B13R1.153 CCOCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0091 [0,1,0,1,0,0|2,0,0]=4 1440 B13R1.153 CCSCC(=O)NCC1CCCC1 WXVL_AK0303SB0002 [0,1,0,1,0,0|1,0,0]=3 1441 B13R1.153 CCSCC(=O)NCC1CCCC1 WXVL_AK0303SB0002 [0,1,0,1,0,0|1,0,0]=3 1442 B13R1.153 CCSCC(=O)NCC1CCOC1 WXVL_AK00634SB0002 [0,1,0,1,0,0|2,0,0]=4 1443 B13R1.153 CCSCC(=O)NCC1CCOC1 WXVL_AK00634SB0002 [0,1,0,1,0,0|2,0,0]=4 1444 B13R1.153 CCSCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0002 [0,1,0,1,0,0|2,0,0]=4 1445 B13R1.153 CCSCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0002 [0,1,0,1,0,0|2,0,0]=4 1446 B13R1.153 CCSCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0002 [0,1,0,1,0,0|2,0,0]=4 1447 B13R1.153 CCSCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0002 [0,1,0,1,0,0|2,0,0]=4 1448 B13R1.153 COCCC(=O)NCC1CCCC1 WXVL_AK0303SB0156 [0,1,0,1,0,0|1,0,0]=3 1449 B13R1.153 COCCC(=O)NCC1CCCC1 WXVL_AK0303SB0156 [0,1,0,1,0,0|1,0,0]=3 1450 B13R1.153 COCCC(=O)NCC1CCOC1 WXVL_AK00634SB0156 [0,1,0,1,0,0|2,0,0]=4 1451 B13R1.153 COCCC(=O)NCC1CCOC1 WXVL_AK00634SB0156 [0,1,0,1,0,0|2,0,0]=4 1452 B13R1.153 COCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0156 [0,1,0,1,0,0|2,0,0]=4 1453 B13R1.153 COCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0156 [0,1,0,1,0,0|2,0,0]=4 1454 B13R1.153 COCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0156 [0,1,0,1,0,0|2,0,0]=4 1455 B13R1.153 COCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0156 [0,1,0,1,0,0|2,0,0]=4 1456 B13R1.153 CSCCC(=O)NCC1CCCC1 WXVL_AK0303SB0361 [0,1,0,1,0,0|1,0,0]=3 1457 B13R1.153 CSCCC(=O)NCC1CCCC1 WXVL_AK0303SB0361 [0,1,0,1,0,0|1,0,0]=3 1458 B13R1.153 CSCCC(=O)NCC1CCOC1 WXVL_AK00634SB0361 [0,1,0,1,0,0|2,0,0]=4 1459 B13R1.153 CSCCC(=O)NCC1CCOC1 WXVL_AK00634SB0361 [0,1,0,1,0,0|2,0,0]=4 1460 B13R1.153 CSCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0361 [0,1,0,1,0,0|2,0,0]=4 1461 B13R1.153 CSCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0361 [0,1,0,1,0,0|2,0,0]=4 1462 B13R1.153 CSCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0361 [0,1,0,1,0,0|2,0,0]=4 1463 B13R1.153 CSCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0361 [0,1,0,1,0,0|2,0,0]=4 1464 B13R1.153 O=C(CCC1CCCC1)NCCF WXVL_AK00466SB0045 [0,1,0,1,0,0|2,0,0]=4 1465 B13R1.153 O=C(CCC1CCCC1)NCCF WXVL_AK00466SB0045 [0,1,0,1,0,0|2,0,0]=4 1466 B13R1.153 O=C(NCCCl)NCC1CCCC1 WXVL_AK0303YV0092 [0,1,0,1,0,0|2,0,0]=4 1467 B13R1.153 O=C(NCCCl)NCC1CCCC1 WXVL_AK0303YV0092 [0,1,0,1,0,0|2,0,0]=4 1468 B13R1.446 CCCC(=O)N1C[C@H](OC[C@H]1C)C WXVL_AN00745SB0073 [0,1,0,1,0,0|2,0,0]=4 1469 B13R1.454 CCCC(=O)N1C[C@H](C[C@@H]1CO)O WXVL_AN00708SB0073 [0,1,0,1,0,0|2,0,0]=4 1470 B13R1.1462 CCCC(=O)N1CCCCC(C1)C WXVL_AN00290SB0073 [0,1,0,1,0,0|1,0,0]=3 1471 B13R1.1462 CCCC(=O)N1CCCCC(C1)C WXVL_AN00290SB0073 [0,1,0,1,0,0|1,0,0]=3 1472 B13R1.1462 CCCC(=O)N1CCOC[C@@H](C1)O WXVL_AN00873SB0073 [0,1,0,1,0,0|2,0,0]=4 1473 B13R1.1462 COCC(=O)N1CCCCC(C1)C WXVL_AN00290SB0090 [0,1,0,1,0,0|2,0,0]=4 1474 B13R1.1462 COCC(=O)N1CCCCC(C1)C WXVL_AN00290SB0090 [0,1,0,1,0,0|2,0,0]=4 1475 B13R1.1462 CSCC(=O)N1CCCCC(C1)C WXVL_AN00290SB1267 [0,1,0,1,0,0|2,0,0]=4 1476 B13R1.1462 CSCC(=O)N1CCCCC(C1)C WXVL_AN00290SB1267 [0,1,0,1,0,0|2,0,0]=4 1477 B13R1.1483 CCCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0073 [0,1,0,1,0,0|1,0,0]=3 1478 B13R1.1483 CCCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0073 [0,1,0,1,0,0|1,0,0]=3 1479 B13R1.1483 CCCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0073 [0,1,0,1,0,0|1,0,0]=3 1480 B13R1.1483 CCCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0073 [0,1,0,1,0,0|1,0,0]=3 1481 B13R1.1483 COCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0090 [0,1,0,1,0,0|2,0,0]=4 1482 B13R1.1483 COCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0090 [0,1,0,1,0,0|2,0,0]=4 1483 B13R1.1483 COCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0090 [0,1,0,1,0,0|2,0,0]=4 1484 B13R1.1483 COCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0090 [0,1,0,1,0,0|2,0,0]=4 1485 B13R1.1483 CSCC(=O)NCC1(CCCC1)C WXVL_AK0300SB1267 [0,1,0,1,0,0|2,0,0]=4 1486 B13R1.1483 CSCC(=O)NCC1(CCCC1)C WXVL_AK0300SB1267 [0,1,0,1,0,0|2,0,0]=4 1487 B13R1.1483 CSCC(=O)NCC1(CCCC1)O WXVL_AK00235SB1267 [0,1,0,1,0,0|2,0,0]=4 1488 B13R1.1483 CSCC(=O)NCC1(CCCC1)O WXVL_AK00235SB1267 [0,1,0,1,0,0|2,0,0]=4 1489 B13R1.361 CCCC(=O)N1CC[C@@H](C1)COC WXVL_AN5044SB0073 [0,1,0,1,0,0|2,0,0]=4 1490 B13R1.361 CCCC(=O)N1CC[C@@H](C1)COC WXVL_AN5044SB0073 [0,1,0,1,0,0|2,0,0]=4 1491 B13R1.460 CCCC(=O)N1CCCC(C1)CO WXVL_AN0022SB0073 [0,1,0,1,0,0|2,0,0]=4 1492 B13R1.460 CCCC(=O)N1CCCC(C1)CO WXVL_AN0022SB0073 [0,1,0,1,0,0|2,0,0]=4 1493 B13R1.460 CCCC(=O)N1CCCC(C1)OC WXVL_AN0119SB0073 [0,1,0,1,0,0|2,0,0]=4 1494 B13R1.460 CCCC(=O)N1CCCC(C1)OC WXVL_AN0119SB0073 [0,1,0,1,0,0|2,0,0]=4 1495 B13R1.460 CCCC(=O)N1CCC[C@H](C1)CO WXVL_AN00578SB0073 [0,1,0,1,0,0|2,0,0]=4 1496 B13R1.460 CCCC(=O)N1CCC[C@H](C1)OC WXVL_AN00707SB0073 [0,1,0,1,0,0|2,0,0]=4 1497 B13R1.460 CCCC(=O)N1CCOC(C1)CC WXVL_AN8301SB0073 [0,1,0,1,0,0|2,0,0]=4 1498 B13R1.460 CCCC(=O)N1CCO[C@H](C1)CC WXVL_AN00769SB0073 [0,1,0,1,0,0|2,0,0]=4 1499 B13R1.1313 CCCCCNC(=O)C(=O)C1CC1 WXVL_AK0076SB3659 [0,1,0,1,0,0|2,0,0]=4 1500 B13R1.1313 CCCCCNC(=O)C(=O)C1CC1 WXVL_AK0076SB3659 [0,1,0,1,0,0|2,0,0]=4 1501 B13R1.44 C#CCCC(=O)NC1CCCCC1 WXVL_AK00480SB2189 [0,1,0,1,0,0|1,0,1]=4 1502 B13R1.44 C#CCCC(=O)NC1CCCCC1 WXVL_AK00480SB2189 [0,1,0,1,0,0|1,0,1]=4 1503 B13R1.44 C=CCCC(=O)NC1CCCCC1 WXVL_AK00480SB1035 [0,1,0,1,0,0|1,0,1]=4 1504 B13R1.44 C=CCCC(=O)NC1CCCCC1 WXVL_AK00480SB1035 [0,1,0,1,0,0|1,0,1]=4 1505 B13R1.44 CCCNC(=O)CC1CCCCO1 WXVL_AK00504SB1464 [0,1,0,1,0,0|2,0,0]=4 1506 B13R1.44 CCCNC(=O)CC1CCCCO1 WXVL_AK00504SB1464 [0,1,0,1,0,0|2,0,0]=4 1507 B13R1.44 CCCNC(=O)CC1CCOCC1 WXVL_AK00504SB0194 [0,1,0,1,0,0|2,0,0]=4 1508 B13R1.44 CCCNC(=O)CC1CCOCC1 WXVL_AK00504SB0194 [0,1,0,1,0,0|2,0,0]=4 1509 B13R1.44 CCCNC(=O)CN1CCCCC1 WXVL_AK00504SB0186 [0,1,0,1,0,0|2,0,0]=4 1510 B13R1.44 CCCNC(=O)CN1CCCCC1 WXVL_AK00504SB0186 [0,1,0,1,0,0|2,0,0]=4 1511 B13R1.44 CCOCC(=O)NC1CCCCC1 WXVL_AK00480SB0091 [0,1,0,1,0,0|1,0,0]=3 1512 B13R1.44 CCOCC(=O)NC1CCCCC1 WXVL_AK00480SB0091 [0,1,0,1,0,0|1,0,0]=3 1513 B13R1.44 CCOCC(=O)NC1CCCOC1 WXVL_AK1073SB0091 [0,1,0,1,0,0|2,0,0]=4 1514 B13R1.44 CCOCC(=O)NC1CCCOC1 WXVL_AK1073SB0091 [0,1,0,1,0,0|2,0,0]=4 1515 B13R1.44 CCSCC(=O)NC1CCCCC1 WXVL_AK00480SB0002 [0,1,0,1,0,0|1,0,0]=3 1516 B13R1.44 CCSCC(=O)NC1CCCCC1 WXVL_AK00480SB0002 [0,1,0,1,0,0|1,0,0]=3 1517 B13R1.44 CCSCC(=O)NC1CCCOC1 WXVL_AK1073SB0002 [0,1,0,1,0,0|2,0,0]=4 1518 B13R1.44 CCSCC(=O)NC1CCCOC1 WXVL_AK1073SB0002 [0,1,0,1,0,0|2,0,0]=4 1519 B13R1.44 COCCC(=O)NC1CCCCC1 WXVL_AK00480SB0156 [0,1,0,1,0,0|1,0,0]=3 1520 B13R1.44 COCCC(=O)NC1CCCCC1 WXVL_AK00480SB0156 [0,1,0,1,0,0|1,0,0]=3 1521 B13R1.44 COCCC(=O)NC1CCCOC1 WXVL_AK1073SB0156 [0,1,0,1,0,0|2,0,0]=4 1522 B13R1.44 COCCC(=O)NC1CCCOC1 WXVL_AK1073SB0156 [0,1,0,1,0,0|2,0,0]=4 1523 B13R1.44 CSCCC(=O)NC1CCCCC1 WXVL_AK00480SB0361 [0,1,0,1,0,0|1,0,0]=3 1524 B13R1.44 CSCCC(=O)NC1CCCCC1 WXVL_AK00480SB0361 [0,1,0,1,0,0|1,0,0]=3 1525 B13R1.44 CSCCC(=O)NC1CCCOC1 WXVL_AK1073SB0361 [0,1,0,1,0,0|2,0,0]=4 1526 B13R1.44 CSCCC(=O)NC1CCCOC1 WXVL_AK1073SB0361 [0,1,0,1,0,0|2,0,0]=4 1527 B13R1.44 O=C(NCCCl)NC1CCCCC1 WXVL_AK00480YV0092 [0,1,0,1,0,0|2,0,0]=4 1528 B13R1.44 O=C(NCCCl)NC1CCCCC1 WXVL_AK00480YV0092 [0,1,0,1,0,0|2,0,0]=4 1529 B13R1.674 C#CCCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB2189 [0,1,0,1,0,0|1,0,1]=4 1530 B13R1.674 C=CCCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB1035 [0,1,0,1,0,0|1,0,1]=4 1531 B13R1.674 CCCNC(=O)[C@H]1CCCCN1C WXVL_AK00504SB4055 [0,1,0,1,0,0|2,0,0]=4 1532 B13R1.674 CCCNC(=O)[C@H]1CCCCN1C WXVL_AK00504SB4055 [0,1,0,1,0,0|2,0,0]=4 1533 B13R1.674 CCOCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0091 [0,1,0,1,0,0|1,0,0]=3 1534 B13R1.674 CCOCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0091 [0,1,0,1,0,0|2,0,0]=4 1535 B13R1.674 CCOCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0091 [0,1,0,1,0,0|2,0,0]=4 1536 B13R1.674 CCOCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0091 [0,1,0,1,0,0|2,0,0]=4 1537 B13R1.674 CCSCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0002 [0,1,0,1,0,0|1,0,0]=3 1538 B13R1.674 CCSCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0002 [0,1,0,1,0,0|2,0,0]=4 1539 B13R1.674 CCSCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0002 [0,1,0,1,0,0|2,0,0]=4 1540 B13R1.674 CCSCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0002 [0,1,0,1,0,0|2,0,0]=4 1541 B13R1.674 COCCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0156 [0,1,0,1,0,0|1,0,0]=3 1542 B13R1.674 COCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0156 [0,1,0,1,0,0|2,0,0]=4 1543 B13R1.674 COCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0156 [0,1,0,1,0,0|2,0,0]=4 1544 B13R1.674 COCCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0156 [0,1,0,1,0,0|2,0,0]=4 1545 B13R1.674 CSCCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0361 [0,1,0,1,0,0|1,0,0]=3 1546 B13R1.674 CSCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0361 [0,1,0,1,0,0|2,0,0]=4 1547 B13R1.674 CSCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0361 [0,1,0,1,0,0|2,0,0]=4 1548 B13R1.674 CSCCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0361 [0,1,0,1,0,0|2,0,0]=4 1549 B13R1.674 C[C@H]1CCCCN1C(=O)NCCCl WXVL_AN00851YV0092 [0,1,0,1,0,0|2,0,0]=4 1550 B13R1.683 C#CCCC(=O)NCCC1CCC1 WXVL_AK2418SB2189 [0,1,0,1,0,0|1,0,1]=4 1551 B13R1.683 C#CCCC(=O)NCCC1CCC1 WXVL_AK2418SB2189 [0,1,0,1,0,0|1,0,1]=4 1552 B13R1.683 C=CCCC(=O)NCCC1CCC1 WXVL_AK2418SB1035 [0,1,0,1,0,0|1,0,1]=4 1553 B13R1.683 C=CCCC(=O)NCCC1CCC1 WXVL_AK2418SB1035 [0,1,0,1,0,0|1,0,1]=4 1554 B13R1.683 CCOCC(=O)NCCC1CCC1 WXVL_AK2418SB0091 [0,1,0,1,0,0|1,0,0]=3 1555 B13R1.683 CCOCC(=O)NCCC1CCC1 WXVL_AK2418SB0091 [0,1,0,1,0,0|1,0,0]=3 1556 B13R1.683 CCSCC(=O)NCCC1CCC1 WXVL_AK2418SB0002 [0,1,0,1,0,0|1,0,0]=3 1557 B13R1.683 CCSCC(=O)NCCC1CCC1 WXVL_AK2418SB0002 [0,1,0,1,0,0|1,0,0]=3 1558 B13R1.683 COCCC(=O)NCCC1CCC1 WXVL_AK2418SB0156 [0,1,0,1,0,0|1,0,0]=3 1559 B13R1.683 COCCC(=O)NCCC1CCC1 WXVL_AK2418SB0156 [0,1,0,1,0,0|1,0,0]=3 1560 B13R1.683 CSCCC(=O)NCCC1CCC1 WXVL_AK2418SB0361 [0,1,0,1,0,0|1,0,0]=3 1561 B13R1.683 CSCCC(=O)NCCC1CCC1 WXVL_AK2418SB0361 [0,1,0,1,0,0|1,0,0]=3 1562 B13R1.683 O=C(NCCCl)NCCC1CCC1 WXVL_AK2418YV0092 [0,1,0,1,0,0|2,0,0]=4 1563 B13R1.683 O=C(NCCCl)NCCC1CCC1 WXVL_AK2418YV0092 [0,1,0,1,0,0|2,0,0]=4 1564 B13R1.684 CCOCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0091 [0,1,0,1,0,0|2,0,0]=4 1565 B13R1.684 CCSCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0002 [0,1,0,1,0,0|2,0,0]=4 1566 B13R1.684 COCCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0156 [0,1,0,1,0,0|2,0,0]=4 1567 B13R1.684 CSCCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0361 [0,1,0,1,0,0|2,0,0]=4 1568 B13R1.2488 CCCNC(=O)C1CCCCCC1 WXVL_AK00504SB0385 [0,1,0,1,0,0|1,0,0]=3 1569 B13R1.2488 CCCNC(=O)C1CCCCCC1 WXVL_AK00504SB0385 [0,1,0,1,0,0|1,0,0]=3 1570 B13R1.2488 CCOCC(=O)N1CCCOCC1 WXVL_AN00350SB0091 [0,1,0,1,0,0|2,0,0]=4 1571 B13R1.2488 CCOCC(=O)N1CCCOCC1 WXVL_AN00350SB0091 [0,1,0,1,0,0|2,0,0]=4 1572 B13R1.2488 CCSCC(=O)N1CCCOCC1 WXVL_AN00350SB0002 [0,1,0,1,0,0|2,0,0]=4 1573 B13R1.2488 CCSCC(=O)N1CCCOCC1 WXVL_AN00350SB0002 [0,1,0,1,0,0|2,0,0]=4 1574 B13R1.2488 COCCC(=O)N1CCCOCC1 WXVL_AN00350SB0156 [0,1,0,1,0,0|2,0,0]=4 1575 B13R1.2488 COCCC(=O)N1CCCOCC1 WXVL_AN00350SB0156 [0,1,0,1,0,0|2,0,0]=4 1576 B13R1.2488 CSCCC(=O)N1CCCOCC1 WXVL_AN00350SB0361 [0,1,0,1,0,0|2,0,0]=4 1577 B13R1.2488 CSCCC(=O)N1CCCOCC1 WXVL_AN00350SB0361 [0,1,0,1,0,0|2,0,0]=4 1578 B13R1.2488 O=C(NCCF)C1CCCCCC1 WXVL_AK00466SB0385 [0,1,0,1,0,0|2,0,0]=4 1579 B13R1.2488 O=C(NCCF)C1CCCCCC1 WXVL_AK00466SB0385 [0,1,0,1,0,0|2,0,0]=4 1580 B13R1.20 CCCC(=O)N[C@H]1CCCN(C1)C WXVL_AK2061SB0073 [0,1,0,1,0,0|2,0,0]=4 1581 B13R1.20 CCCC(=O)N[C@H]1CCCN(C1)C WXVL_AK2061SB0073 [0,1,0,1,0,0|2,0,0]=4 1582 B13R1.20 CCCC(=O)N[C@H]1CCC[C@H](C1)O WXVL_AK2614SB0073 [0,1,0,1,0,0|1,0,0]=3 1583 B13R1.20 CCCC(=O)N[C@H]1CCC[C@H](C1)O WXVL_AK2614SB0073 [0,1,0,1,0,0|1,0,0]=3 1584 B13R1.20 COCC(=O)N[C@H]1CCC[C@H](C1)O WXVL_AK2614SB0090 [0,1,0,1,0,0|2,0,0]=4 1585 B13R1.20 COCC(=O)N[C@H]1CCC[C@H](C1)O WXVL_AK2614SB0090 [0,1,0,1,0,0|2,0,0]=4 1586 B13R1.20 CSCC(=O)N[C@H]1CCC[C@H](C1)O WXVL_AK2614SB1267 [0,1,0,1,0,0|2,0,0]=4 1587 B13R1.20 CSCC(=O)N[C@H]1CCC[C@H](C1)O WXVL_AK2614SB1267 [0,1,0,1,0,0|2,0,0]=4 1588 B13R1.33 CCCC(=O)NC(C)C1CCOC1 WXVL_AKJ995SB0073 [0,1,0,1,0,0|2,0,0]=4 1589 B13R1.33 CCCC(=O)NC(C)C1CCOC1 WXVL_AKJ995SB0073 [0,1,0,1,0,0|2,0,0]=4 1590 B13R1.1524 CCCC(=O)N1[C@H](CC[C@H]1CO)C WXVL_AN00444SB0073 [0,1,0,1,0,0|2,0,0]=4 1591 B13R1.1524 CCCC(=O)N1[C@H](CC[C@H]1CO)C WXVL_AN00444SB0073 [0,1,0,1,0,0|2,0,0]=4 1592 B13R1.2570 CCCC(=O)NC1(CCCCC1)C WXVL_AK0295SB0073 [0,1,0,1,0,0|1,0,0]=3 1593 B13R1.2570 CCCC(=O)NC1(CCCCC1)C WXVL_AK0295SB0073 [0,1,0,1,0,0|1,0,0]=3 1594 B13R1.2570 COCC(=O)NC1(CCCCC1)C WXVL_AK0295SB0090 [0,1,0,1,0,0|2,0,0]=4 1595 B13R1.2570 COCC(=O)NC1(CCCCC1)C WXVL_AK0295SB0090 [0,1,0,1,0,0|2,0,0]=4 1596 B13R1.2570 CSCC(=O)NC1(CCCCC1)C WXVL_AK0295SB1267 [0,1,0,1,0,0|2,0,0]=4 1597 B13R1.2570 CSCC(=O)NC1(CCCCC1)C WXVL_AK0295SB1267 [0,1,0,1,0,0|2,0,0]=4 1598 B13R1.4453 CCCC(=O)N1[C@H](CCC[C@H]1C)C WXVL_AN3062SB0073 [0,1,0,1,0,0|1,0,0]=3 1599 B13R1.4453 COCC(=O)N1[C@H](CCC[C@H]1C)C WXVL_AN3062SB0090 [0,1,0,1,0,0|2,0,0]=4 1600 B13R1.4453 CSCC(=O)N1[C@H](CCC[C@H]1C)C WXVL_AN3062SB1267 [0,1,0,1,0,0|2,0,0]=4 1601 B13R1.12 CCCC(=O)N1CCCC(C1C)O WXVL_ANJ336SB0073 [0,1,0,1,0,0|1,0,0]=3 1602 B13R1.12 CCCC(=O)N1CCCC(C1C)O WXVL_ANJ336SB0073 [0,1,0,1,0,0|1,0,0]=3 1603 B13R1.12 COCC(=O)N1CCCC(C1C)O WXVL_ANJ336SB0090 [0,1,0,1,0,0|2,0,0]=4 1604 B13R1.12 COCC(=O)N1CCCC(C1C)O WXVL_ANJ336SB0090 [0,1,0,1,0,0|2,0,0]=4 1605 B13R1.12 CSCC(=O)N1CCCC(C1C)O WXVL_ANJ336SB1267 [0,1,0,1,0,0|2,0,0]=4 1606 B13R1.12 CSCC(=O)N1CCCC(C1C)O WXVL_ANJ336SB1267 [0,1,0,1,0,0|2,0,0]=4 1607 B13R1.19 CCCC(=O)NC1CCN(CC1)C WXVL_AK0287SB0073 [0,1,0,1,0,0|2,0,0]=4 1608 B13R1.19 CCCC(=O)NC1CCN(CC1)C WXVL_AK0287SB0073 [0,1,0,1,0,0|2,0,0]=4 1609 B13R1.19 CCNC(=O)N[C@H]1CC[C@@H](CC1)C WXVL_AK00476YV0200 [0,1,0,1,0,0|2,0,0]=4 1610 B13R1.19 CCNC(=O)N[C@H]1CC[C@@H](CC1)C WXVL_AK00476YV0200 [0,1,0,1,0,0|2,0,0]=4 1611 B13R1.1463 CCCC(=O)N1CCCC(CC1)C WXVL_AN00326SB0073 [0,1,0,1,0,0|1,0,0]=3 1612 B13R1.1463 CCCC(=O)N1CCCC(CC1)C WXVL_AN00326SB0073 [0,1,0,1,0,0|1,0,0]=3 1613 B13R1.1463 COCC(=O)N1CCCC(CC1)C WXVL_AN00326SB0090 [0,1,0,1,0,0|2,0,0]=4 1614 B13R1.1463 COCC(=O)N1CCCC(CC1)C WXVL_AN00326SB0090 [0,1,0,1,0,0|2,0,0]=4 1615 B13R1.1463 CSCC(=O)N1CCCC(CC1)C WXVL_AN00326SB1267 [0,1,0,1,0,0|2,0,0]=4 1616 B13R1.1463 CSCC(=O)N1CCCC(CC1)C WXVL_AN00326SB1267 [0,1,0,1,0,0|2,0,0]=4 1617 B13R1.1080 CN(C)CCCCNC(=O)C1CC1 WXVL_AK0097SB0038 [0,1,0,1,0,0|2,0,0]=4 1618 B13R1.1080 CN(C)CCCCNC(=O)C1CC1 WXVL_AK0097SB0038 [0,1,0,1,0,0|2,0,0]=4 1619 B13R1.1511 CCCC(=O)N1CCN(C[C@@H]1C)C WXVL_AN3515SB0073 [0,1,0,1,0,0|2,0,0]=4 1620 B13R1.1327 CCCS(=O)(=O)NC1CCCCC1 WXVL_AK00480HU0030 [0,1,0,1,0,0|2,0,0]=4 1621 B13R1.1327 CCCS(=O)(=O)NC1CCCCC1 WXVL_AK00480HU0030 [0,1,0,1,0,0|2,0,0]=4 1622 B13R1.1330 CCCS(=O)(=O)NCC1CCCC1 WXVL_AK0303HU0030 [0,1,0,1,0,0|2,0,0]=4 1623 B13R1.1330 CCCS(=O)(=O)NCC1CCCC1 WXVL_AK0303HU0030 [0,1,0,1,0,0|2,0,0]=4 1624 B13R1.1895 CCCCCCNS(=O)(=O)C1CC1 WXVL_AK0286HU0097 [0,1,0,1,0,0|2,0,0]=4 1625 B13R1.1895 CCCCCCNS(=O)(=O)C1CC1 WXVL_AK0286HU0097 [0,1,0,1,0,0|2,0,0]=4 1626 B13R1.2819 CCCS(=O)(=O)N1CCCC[C@@H]1C WXVL_AN00851HU0030 [0,1,0,1,0,0|2,0,0]=4 1627 B13R1.2827 CCCS(=O)(=O)NCCC1CCC1 WXVL_AK2418HU0030 [0,1,0,1,0,0|2,0,0]=4 1628 B13R1.2827 CCCS(=O)(=O)NCCC1CCC1 WXVL_AK2418HU0030 [0,1,0,1,0,0|2,0,0]=4 1629 B13R2.444 O=C(NC1CCCCC1)C2CC2 WXVL_AK00480SB0038 [0,0,0,2,0,0|1,0,0]=3 1630 B13R2.444 O=C(NC1CCCCC1)C2CC2 WXVL_AK00480SB0038 [0,0,0,2,0,0|1,0,0]=3 1631 B13R2.444 O=C(NC1CCCOC1)C2CC2 WXVL_AK1073SB0038 [0,0,0,2,0,0|2,0,0]=4 1632 B13R2.444 O=C(NC1CCCOC1)C2CC2 WXVL_AK1073SB0038 [0,0,0,2,0,0|2,0,0]=4 1633 B13R2.820 CCCC(=O)N1C2CCC1CC2 WXVL_AN00445SB0073 [0,0,0,2,0,0|1,0,0]=3 1634 B13R2.820 CCCC(=O)N1C2CCC1CC2 WXVL_AN00445SB0073 [0,0,0,2,0,0|1,0,0]=3 1635 B13R2.820 COCC(=O)N1C2CCC1CC2 WXVL_AN00445SB0090 [0,0,0,2,0,0|2,0,0]=4 1636 B13R2.820 COCC(=O)N1C2CCC1CC2 WXVL_AN00445SB0090 [0,0,0,2,0,0|2,0,0]=4 1637 B13R2.820 CSCC(=O)N1C2CCC1CC2 WXVL_AN00445SB1267 [0,0,0,2,0,0|2,0,0]=4 1638 B13R2.820 CSCC(=O)N1C2CCC1CC2 WXVL_AN00445SB1267 [0,0,0,2,0,0|2,0,0]=4 1639 B13R2.14693 CCCC(=O)N1C2COCC1C2 WXVL_AN00557SB0073 [0,0,0,2,0,0|2,0,0]=4 1640 B13R2.856 CCCC(=O)N1CC2CCC1C2 WXVL_AN3504SB0073 [0,0,0,2,0,0|1,0,0]=3 1641 B13R2.856 CCCC(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB0073 [0,0,0,2,0,0|2,0,0]=4 1642 B13R2.856 COCC(=O)N1CC2CCC1C2 WXVL_AN3504SB0090 [0,0,0,2,0,0|2,0,0]=4 1643 B13R2.856 CSCC(=O)N1CC2CCC1C2 WXVL_AN3504SB1267 [0,0,0,2,0,0|2,0,0]=4 1644 B13R2.6970 O=C(NCC1CCCC1)C2CC2 WXVL_AK0303SB0038 [0,0,0,2,0,0|1,0,0]=3 1645 B13R2.6970 O=C(NCC1CCCC1)C2CC2 WXVL_AK0303SB0038 [0,0,0,2,0,0|1,0,0]=3 1646 B13R2.6970 O=C(NCC1CCOC1)C2CC2 WXVL_AK00634SB0038 [0,0,0,2,0,0|2,0,0]=4 1647 B13R2.6970 O=C(NCC1CCOC1)C2CC2 WXVL_AK00634SB0038 [0,0,0,2,0,0|2,0,0]=4 1648 B13R2.6970 O=C(NC[C@@H]1CCCO1)C2CC2 WXVL_AK00754SB0038 [0,0,0,2,0,0|2,0,0]=4 1649 B13R2.6970 O=C(NC[C@@H]1CCCO1)C2CC2 WXVL_AK00754SB0038 [0,0,0,2,0,0|2,0,0]=4 1650 B13R2.6970 O=C(NC[C@H]1CCOC1)C2CC2 WXVL_AK2110SB0038 [0,0,0,2,0,0|2,0,0]=4 1651 B13R2.6970 O=C(NC[C@H]1CCOC1)C2CC2 WXVL_AK2110SB0038 [0,0,0,2,0,0|2,0,0]=4 1652 B13R2.3097 C[C@@H]1COCCN1C(=O)C2CC2 WXVL_AN00562SB0038 [0,0,0,2,0,0|2,0,0]=4 1653 B13R2.3097 C[C@H]1CCCCN1C(=O)C2CC2 WXVL_AN00851SB0038 [0,0,0,2,0,0|1,0,0]=3 1654 B13R2.3097 C[C@H]1COCCN1C(=O)C2CC2 WXVL_AN00472SB0038 [0,0,0,2,0,0|2,0,0]=4 1655 B13R2.3097 C[C@H]1COCCN1C(=O)C2CC2 WXVL_AN00472SB0038 [0,0,0,2,0,0|2,0,0]=4 1656 B13R2.14791 CCCC(=O)N1CCOC2C1C2 WXVL_AN00639SB0073 [0,0,0,2,0,0|2,0,0]=4 1657 B13R2.692 O=C(NCCC1CCC1)C2CC2 WXVL_AK2418SB0038 [0,0,0,2,0,0|1,0,0]=3 1658 B13R2.692 O=C(NCCC1CCC1)C2CC2 WXVL_AK2418SB0038 [0,0,0,2,0,0|1,0,0]=3 1659 B13R2.2598 O=C(C1CC1)N2CCC[C@H]2CO WXVL_AN0917SB0038 [0,0,0,2,0,0|2,0,0]=4 1660 B13R2.2283 O=C(C1CC1)N2CCCOCC2 WXVL_AN00350SB0038 [0,0,0,2,0,0|2,0,0]=4 1661 B13R2.2283 O=C(C1CC1)N2CCCOCC2 WXVL_AN00350SB0038 [0,0,0,2,0,0|2,0,0]=4