0 B12R0.1 C/C=C/C(=O)NCCCCCCO WXVL_AK0751SB0340 [0,0,0,0,0,0|3,0,1]=4 1 B12R0.1 C/C=C/C(=O)NCCCCCCO WXVL_AK0751SB0340 [0,0,0,0,0,0|3,0,1]=4 2 B12R0.1 C/C=C/C(=O)NCCOCCCC WXVL_AK9674SB0340 [0,0,0,0,0,0|3,0,1]=4 3 B12R0.1 C/C=C/C(=O)NCCOCCCC WXVL_AK9674SB0340 [0,0,0,0,0,0|3,0,1]=4 4 B12R0.1 CC#CC(=O)NCCCCCCO WXVL_AK0751SB1240 [0,0,0,0,0,0|3,0,1]=4 5 B12R0.1 CC#CC(=O)NCCCCCCO WXVL_AK0751SB1240 [0,0,0,0,0,0|3,0,1]=4 6 B12R0.1 CC#CC(=O)NCCOCCCC WXVL_AK9674SB1240 [0,0,0,0,0,0|3,0,1]=4 7 B12R0.1 CC#CC(=O)NCCOCCCC WXVL_AK9674SB1240 [0,0,0,0,0,0|3,0,1]=4 8 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,0,0,0,0,0|3,0,0]=3 9 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,0,0,0,0,0|3,0,0]=3 10 B12R0.1 CCCC(=O)NCCOCCOC WXVL_AK2206SB0073 [0,0,0,0,0,0|4,0,0]=4 11 B12R0.1 CCCC(=O)NCCOCCOC WXVL_AK2206SB0073 [0,0,0,0,0,0|4,0,0]=4 12 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,0,0,0,0,0|1,0,0]=1 13 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,0,0,0,0,0|1,0,0]=1 14 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,0,0,0,0,0|3,0,0]=3 15 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,0,0,0,0,0|3,0,0]=3 16 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,0,0,0,0,0|4,0,0]=4 17 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,0,0,0,0,0|4,0,0]=4 18 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,0,0,0,0,0|4,0,0]=4 19 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,0,0,0,0,0|4,0,0]=4 20 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,0,0,0,0,0|2,0,0]=2 21 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,0,0,0,0,0|2,0,0]=2 22 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,0,0,0,0,0|2,0,0]=2 23 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,0,0,0,0,0|2,0,0]=2 24 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,0,0,0,0,0|4,0,0]=4 25 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,0,0,0,0,0|4,0,0]=4 26 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,0,0,0,0,0|4,0,0]=4 27 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,0,0,0,0,0|4,0,0]=4 28 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [1,0,0,0,0,0|2,0,1]=4 29 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [1,0,0,0,0,0|2,0,1]=4 30 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [1,0,0,0,0,0|2,0,1]=4 31 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [1,0,0,0,0,0|2,0,1]=4 32 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [1,0,0,0,0,0|3,0,0]=4 33 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [1,0,0,0,0,0|3,0,0]=4 34 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [1,0,0,0,0,0|3,0,0]=4 35 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [1,0,0,0,0,0|3,0,0]=4 36 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [1,0,0,0,0,0|1,0,2]=4 37 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [1,0,0,0,0,0|1,0,2]=4 38 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [1,0,0,0,0,0|1,0,0]=2 39 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [1,0,0,0,0,0|1,0,0]=2 40 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [1,0,0,0,0,0|2,0,0]=3 41 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [1,0,0,0,0,0|2,0,0]=3 42 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [1,0,0,0,0,0|3,0,0]=4 43 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [1,0,0,0,0,0|3,0,0]=4 44 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [1,0,0,0,0,0|3,0,0]=4 45 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [1,0,0,0,0,0|3,0,0]=4 46 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [1,0,0,0,0,0|2,0,0]=3 47 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [1,0,0,0,0,0|2,0,0]=3 48 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [1,0,0,0,0,0|2,0,0]=3 49 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [1,0,0,0,0,0|2,0,0]=3 50 B11R0.40 CCC(=O)NCCOCCOC WXVL_AK2206SB0064 [1,0,0,0,0,0|3,0,0]=4 51 B11R0.40 CCC(=O)NCCOCCOC WXVL_AK2206SB0064 [1,0,0,0,0,0|3,0,0]=4 52 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [1,0,0,0,0,0|1,0,0]=2 53 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [1,0,0,0,0,0|1,0,0]=2 54 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [1,0,0,0,0,0|2,0,0]=3 55 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [1,0,0,0,0,0|2,0,0]=3 56 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [1,0,0,0,0,0|3,0,0]=4 57 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [1,0,0,0,0,0|3,0,0]=4 58 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [1,0,0,0,0,0|2,0,0]=3 59 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [1,0,0,0,0,0|2,0,0]=3 60 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [1,0,0,0,0,0|2,0,0]=3 61 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [1,0,0,0,0,0|2,0,0]=3 62 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [1,0,0,0,0,0|3,0,0]=4 63 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [1,0,0,0,0,0|3,0,0]=4 64 B13R0.2 C#CCC(=O)NCCCCCCCC WXVL_AK1818SB3070 [0,1,0,0,0,0|1,0,2]=4 65 B13R0.2 C#CCC(=O)NCCCCCCCC WXVL_AK1818SB3070 [0,1,0,0,0,0|1,0,2]=4 66 B13R0.2 C/C=C/C(=O)NCCCCCCCC WXVL_AK1818SB0340 [0,1,0,0,0,0|1,0,1]=3 67 B13R0.2 C/C=C/C(=O)NCCCCCCCC WXVL_AK1818SB0340 [0,1,0,0,0,0|1,0,1]=3 68 B13R0.2 C/C=C/C(=O)NCCCOCCCC WXVL_AK2310SB0340 [0,1,0,0,0,0|2,0,1]=4 69 B13R0.2 C/C=C/C(=O)NCCCOCCCC WXVL_AK2310SB0340 [0,1,0,0,0,0|2,0,1]=4 70 B13R0.2 C=CCC(=O)NCCCCCCCC WXVL_AK1818SB2732 [0,1,0,0,0,0|1,0,2]=4 71 B13R0.2 C=CCC(=O)NCCCCCCCC WXVL_AK1818SB2732 [0,1,0,0,0,0|1,0,2]=4 72 B13R0.2 CC#CC(=O)NCCCCCCCC WXVL_AK1818SB1240 [0,1,0,0,0,0|1,0,1]=3 73 B13R0.2 CC#CC(=O)NCCCCCCCC WXVL_AK1818SB1240 [0,1,0,0,0,0|1,0,1]=3 74 B13R0.2 CC#CC(=O)NCCCOCCCC WXVL_AK2310SB1240 [0,1,0,0,0,0|2,0,1]=4 75 B13R0.2 CC#CC(=O)NCCCOCCCC WXVL_AK2310SB1240 [0,1,0,0,0,0|2,0,1]=4 76 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,1,0,0,0,0|1,0,0]=2 77 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,1,0,0,0,0|1,0,0]=2 78 B13R0.2 CCCCCCCCNC(=O)CC#N WXVL_AK1818SB0057 [0,1,0,0,0,0|2,0,1]=4 79 B13R0.2 CCCCCCCCNC(=O)CC#N WXVL_AK1818SB0057 [0,1,0,0,0,0|2,0,1]=4 80 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,1,0,0,0,0|1,0,0]=2 81 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,1,0,0,0,0|1,0,0]=2 82 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [0,1,0,0,0,0|2,0,0]=3 83 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [0,1,0,0,0,0|2,0,0]=3 84 B13R0.2 CCCCCCCCNC(=O)CSC WXVL_AK1818SB1267 [0,1,0,0,0,0|2,0,0]=3 85 B13R0.2 CCCCCCCCNC(=O)CSC WXVL_AK1818SB1267 [0,1,0,0,0,0|2,0,0]=3 86 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [0,1,0,0,0,0|1,0,0]=2 87 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [0,1,0,0,0,0|1,0,0]=2 88 B13R0.2 CCCCOCCCNC(=O)CCC WXVL_AK2310SB0073 [0,1,0,0,0,0|2,0,0]=3 89 B13R0.2 CCCCOCCCNC(=O)CCC WXVL_AK2310SB0073 [0,1,0,0,0,0|2,0,0]=3 90 B13R0.2 CCCCOCCCNC(=O)COC WXVL_AK2310SB0090 [0,1,0,0,0,0|3,0,0]=4 91 B13R0.2 CCCCOCCCNC(=O)COC WXVL_AK2310SB0090 [0,1,0,0,0,0|3,0,0]=4 92 B13R0.2 CCCCOCCCNC(=O)CSC WXVL_AK2310SB1267 [0,1,0,0,0,0|3,0,0]=4 93 B13R0.2 CCCCOCCCNC(=O)CSC WXVL_AK2310SB1267 [0,1,0,0,0,0|3,0,0]=4 94 B13R0.66 C=CCNC(=O)CCCCCCCBr WXVL_AK00561SB0559 [0,1,0,0,0,0|2,0,1]=4 95 B13R0.66 C=CCNC(=O)CCCCCCCBr WXVL_AK00561SB0559 [0,1,0,0,0,0|2,0,1]=4 96 B13R0.66 C=CCNC(=O)CCCCCCCC WXVL_AK00561SB0409 [0,1,0,0,0,0|1,0,1]=3 97 B13R0.66 C=CCNC(=O)CCCCCCCC WXVL_AK00561SB0409 [0,1,0,0,0,0|1,0,1]=3 98 B13R0.66 C=CCNC(=O)CCCCCCCO WXVL_AK00561SB1306 [0,1,0,0,0,0|2,0,1]=4 99 B13R0.66 C=CCNC(=O)CCCCCCCO WXVL_AK00561SB1306 [0,1,0,0,0,0|2,0,1]=4 100 B13R0.66 CCCCCCCCC(=O)NCC#N WXVL_AK0683SB0409 [0,1,0,0,0,0|1,0,1]=3 101 B13R0.66 CCCCCCCCC(=O)NCC#N WXVL_AK0683SB0409 [0,1,0,0,0,0|1,0,1]=3 102 B13R0.66 CCCCCCCCC(=O)NCCC WXVL_AK00504SB0409 [0,1,0,0,0,0|1,0,0]=2 103 B13R0.66 CCCCCCCCC(=O)NCCC WXVL_AK00504SB0409 [0,1,0,0,0,0|1,0,0]=2 104 B13R0.66 CCCCCCCCC(=O)NCCF WXVL_AK00466SB0409 [0,1,0,0,0,0|1,0,0]=2 105 B13R0.66 CCCCCCCCC(=O)NCCF WXVL_AK00466SB0409 [0,1,0,0,0,0|1,0,0]=2 106 B13R0.66 CCCCOCCNC(=O)CCOC WXVL_AK9674SB0156 [0,1,0,0,0,0|3,0,0]=4 107 B13R0.66 CCCCOCCNC(=O)CCOC WXVL_AK9674SB0156 [0,1,0,0,0,0|3,0,0]=4 108 B13R0.66 CCCCOCCNC(=O)CCSC WXVL_AK9674SB0361 [0,1,0,0,0,0|3,0,0]=4 109 B13R0.66 CCCCOCCNC(=O)CCSC WXVL_AK9674SB0361 [0,1,0,0,0,0|3,0,0]=4 110 B13R0.66 CCCCOCCNC(=O)COCC WXVL_AK9674SB0091 [0,1,0,0,0,0|2,0,0]=3 111 B13R0.66 CCCCOCCNC(=O)COCC WXVL_AK9674SB0091 [0,1,0,0,0,0|2,0,0]=3 112 B13R0.66 CCCCOCCNC(=O)CSCC WXVL_AK9674SB0002 [0,1,0,0,0,0|2,1,0]=4 113 B13R0.66 CCCCOCCNC(=O)CSCC WXVL_AK9674SB0002 [0,1,0,0,0,0|2,1,0]=4 114 B13R0.66 CCCCOCCNC(=O)NCCCl WXVL_AK9674YV0092 [0,1,0,0,0,0|3,0,0]=4 115 B13R0.66 CCCCOCCNC(=O)NCCCl WXVL_AK9674YV0092 [0,1,0,0,0,0|3,0,0]=4 116 B13R0.66 CCCNC(=O)CCCCCCCBr WXVL_AK00504SB0559 [0,1,0,0,0,0|2,0,0]=3 117 B13R0.66 CCCNC(=O)CCCCCCCBr WXVL_AK00504SB0559 [0,1,0,0,0,0|2,0,0]=3 118 B13R0.66 CCCNC(=O)CCCCCCCO WXVL_AK00504SB1306 [0,1,0,0,0,0|2,0,0]=3 119 B13R0.66 CCCNC(=O)CCCCCCCO WXVL_AK00504SB1306 [0,1,0,0,0,0|2,0,0]=3 120 B13R0.66 CCOCC(=O)NCCCCCCO WXVL_AK0751SB0091 [0,1,0,0,0,0|2,0,0]=3 121 B13R0.66 CCOCC(=O)NCCCCCCO WXVL_AK0751SB0091 [0,1,0,0,0,0|2,0,0]=3 122 B13R0.66 CCOCC(=O)NCCOCCOC WXVL_AK2206SB0091 [0,1,0,0,0,0|3,0,0]=4 123 B13R0.66 CCOCC(=O)NCCOCCOC WXVL_AK2206SB0091 [0,1,0,0,0,0|3,0,0]=4 124 B13R0.66 CCSCC(=O)NCCCCCCO WXVL_AK0751SB0002 [0,1,0,0,0,0|2,1,0]=4 125 B13R0.66 CCSCC(=O)NCCCCCCO WXVL_AK0751SB0002 [0,1,0,0,0,0|2,1,0]=4 126 B13R0.66 COCCC(=O)NCCCCCCO WXVL_AK0751SB0156 [0,1,0,0,0,0|3,0,0]=4 127 B13R0.66 COCCC(=O)NCCCCCCO WXVL_AK0751SB0156 [0,1,0,0,0,0|3,0,0]=4 128 B13R0.66 CSCCC(=O)NCCCCCCO WXVL_AK0751SB0361 [0,1,0,0,0,0|3,0,0]=4 129 B13R0.66 CSCCC(=O)NCCCCCCO WXVL_AK0751SB0361 [0,1,0,0,0,0|3,0,0]=4 130 B13R0.66 N#CCNC(=O)CCCCCCCBr WXVL_AK0683SB0559 [0,1,0,0,0,0|2,0,1]=4 131 B13R0.66 N#CCNC(=O)CCCCCCCBr WXVL_AK0683SB0559 [0,1,0,0,0,0|2,0,1]=4 132 B13R0.66 N#CCNC(=O)CCCCCCCO WXVL_AK0683SB1306 [0,1,0,0,0,0|2,0,1]=4 133 B13R0.66 N#CCNC(=O)CCCCCCCO WXVL_AK0683SB1306 [0,1,0,0,0,0|2,0,1]=4 134 B13R0.66 O=C(CCCCCCCBr)NCCF WXVL_AK00466SB0559 [0,1,0,0,0,0|2,0,0]=3 135 B13R0.66 O=C(CCCCCCCBr)NCCF WXVL_AK00466SB0559 [0,1,0,0,0,0|2,0,0]=3 136 B13R0.66 O=C(CCCCCCCO)NCCF WXVL_AK00466SB1306 [0,1,0,0,0,0|2,0,0]=3 137 B13R0.66 O=C(CCCCCCCO)NCCF WXVL_AK00466SB1306 [0,1,0,0,0,0|2,0,0]=3 138 B13R0.66 O=C(NCCCl)NCCCCCCO WXVL_AK0751YV0092 [0,1,0,0,0,0|3,0,0]=4 139 B13R0.66 O=C(NCCCl)NCCCCCCO WXVL_AK0751YV0092 [0,1,0,0,0,0|3,0,0]=4 140 B13R0.88 CCCC(=O)NCCCCCN(C)C WXVL_AK0956SB0073 [0,1,0,0,0,0|3,0,0]=4 141 B13R0.88 CCCC(=O)NCCCCCN(C)C WXVL_AK0956SB0073 [0,1,0,0,0,0|3,0,0]=4 142 B13R0.175 CCOC(=O)CCNC(=O)CCOC WXVL_AK0465SB0156 [0,1,0,0,0,0|2,0,1]=4 143 B13R0.175 CCOC(=O)CCNC(=O)CCOC WXVL_AK0465SB0156 [0,1,0,0,0,0|2,0,1]=4 144 B13R0.175 CCOC(=O)CCNC(=O)CCSC WXVL_AK0465SB0361 [0,1,0,0,0,0|2,0,1]=4 145 B13R0.175 CCOC(=O)CCNC(=O)CCSC WXVL_AK0465SB0361 [0,1,0,0,0,0|2,0,1]=4 146 B13R0.175 CCOC(=O)CCNC(=O)CSCC WXVL_AK0465SB0002 [0,1,0,0,0,0|2,0,1]=4 147 B13R0.175 CCOC(=O)CCNC(=O)CSCC WXVL_AK0465SB0002 [0,1,0,0,0,0|2,0,1]=4 148 B13R0.175 CCOCC(=O)NCCC(=O)OCC WXVL_AK0465SB0091 [0,1,0,0,0,0|2,0,1]=4 149 B13R0.175 CCOCC(=O)NCCC(=O)OCC WXVL_AK0465SB0091 [0,1,0,0,0,0|2,0,1]=4 150 B13R0.193 CCCCNC(=O)NCC(=O)OCC WXVL_AK00588YV0151 [0,1,0,0,0,0|2,0,1]=4 151 B13R0.193 CCCCNC(=O)NCC(=O)OCC WXVL_AK00588YV0151 [0,1,0,0,0,0|2,0,1]=4 152 B13R0.275 CCCCCCNC(=O)C(=O)OCC WXVL_AK0286SB4144 [0,1,0,0,0,0|1,0,1]=3 153 B13R0.275 CCCCCCNC(=O)C(=O)OCC WXVL_AK0286SB4144 [0,1,0,0,0,0|1,0,1]=3 154 B13R0.275 CCOC(=O)C(=O)NCCCCCO WXVL_AK0077SB4144 [0,1,0,0,0,0|2,0,1]=4 155 B13R0.275 CCOC(=O)C(=O)NCCCCCO WXVL_AK0077SB4144 [0,1,0,0,0,0|2,0,1]=4 156 B13R0.275 CCOCCCNC(=O)C(=O)OCC WXVL_AK0072SB4144 [0,1,0,0,0,0|2,0,1]=4 157 B13R0.275 CCOCCCNC(=O)C(=O)OCC WXVL_AK0072SB4144 [0,1,0,0,0,0|2,0,1]=4 158 B13R0.330 CCCCCNC(=O)CC(=O)OCC WXVL_AK0076SB3094 [0,1,0,0,0,0|1,0,1]=3 159 B13R0.330 CCCCCNC(=O)CC(=O)OCC WXVL_AK0076SB3094 [0,1,0,0,0,0|1,0,1]=3 160 B13R0.330 CCOC(=O)CC(=O)NCCCCO WXVL_AK0075SB3094 [0,1,0,0,0,0|2,0,1]=4 161 B13R0.330 CCOC(=O)CC(=O)NCCCCO WXVL_AK0075SB3094 [0,1,0,0,0,0|2,0,1]=4 162 B13R0.330 CCOC(=O)CC(=O)NCCCOC WXVL_AK00637SB3094 [0,1,0,0,0,0|2,0,1]=4 163 B13R0.330 CCOC(=O)CC(=O)NCCCOC WXVL_AK00637SB3094 [0,1,0,0,0,0|2,0,1]=4 164 B13R0.330 CCOC(=O)CC(=O)NCCCSC WXVL_AK0965SB3094 [0,1,0,0,0,0|2,0,1]=4 165 B13R0.330 CCOC(=O)CC(=O)NCCCSC WXVL_AK0965SB3094 [0,1,0,0,0,0|2,0,1]=4 166 B13R0.330 CCOC(=O)CC(=O)NCCSCC WXVL_AK00494SB3094 [0,1,0,0,0,0|2,0,1]=4 167 B13R0.330 CCOC(=O)CC(=O)NCCSCC WXVL_AK00494SB3094 [0,1,0,0,0,0|2,0,1]=4 168 B13R0.335 CC(C)CC(=O)NCCCCCCO WXVL_AK0751SB0063 [0,1,0,0,0,0|3,0,0]=4 169 B13R0.335 CC(C)CC(=O)NCCCCCCO WXVL_AK0751SB0063 [0,1,0,0,0,0|3,0,0]=4 170 B13R0.335 CC(C)NC(=O)CCCCCCCBr WXVL_AK0030SB0559 [0,1,0,0,0,0|2,0,0]=3 171 B13R0.335 CC(C)NC(=O)CCCCCCCBr WXVL_AK0030SB0559 [0,1,0,0,0,0|2,0,0]=3 172 B13R0.335 CC(C)NC(=O)CCCCCCCO WXVL_AK0030SB1306 [0,1,0,0,0,0|2,0,0]=3 173 B13R0.335 CC(C)NC(=O)CCCCCCCO WXVL_AK0030SB1306 [0,1,0,0,0,0|2,0,0]=3 174 B13R0.335 CC(O)CC(=O)NCCCCCCO WXVL_AK0751SB3643 [0,1,0,0,0,0|3,0,0]=4 175 B13R0.335 CC(O)CC(=O)NCCCCCCO WXVL_AK0751SB3643 [0,1,0,0,0,0|3,0,0]=4 176 B13R0.335 CCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0409 [0,1,0,0,0,0|1,0,0]=2 177 B13R0.335 CCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0409 [0,1,0,0,0,0|1,0,0]=2 178 B13R0.335 CCCCOCCNC(=O)CC(C)C WXVL_AK9674SB0063 [0,1,0,0,0,0|3,0,0]=4 179 B13R0.335 CCCCOCCNC(=O)CC(C)C WXVL_AK9674SB0063 [0,1,0,0,0,0|3,0,0]=4 180 B13R0.335 CCCCOCCNC(=O)CC(C)O WXVL_AK9674SB3643 [0,1,0,0,0,0|3,0,0]=4 181 B13R0.335 CCCCOCCNC(=O)CC(C)O WXVL_AK9674SB3643 [0,1,0,0,0,0|3,0,0]=4 182 B13R0.340 CCC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0344 [0,1,0,0,0,0|3,0,0]=4 183 B13R0.340 CCC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0344 [0,1,0,0,0,0|3,0,0]=4 184 B13R0.340 CCC(C)C(=O)NCCCCCCO WXVL_AK0751SB0054 [0,1,0,0,0,0|3,0,0]=4 185 B13R0.340 CCC(C)C(=O)NCCCCCCO WXVL_AK0751SB0054 [0,1,0,0,0,0|3,0,0]=4 186 B13R0.340 CCCCOCCNC(=O)C(=O)CC WXVL_AK9674SB0344 [0,1,0,0,0,0|3,0,0]=4 187 B13R0.340 CCCCOCCNC(=O)C(=O)CC WXVL_AK9674SB0344 [0,1,0,0,0,0|3,0,0]=4 188 B13R0.340 CCCCOCCNC(=O)C(C)CC WXVL_AK9674SB0054 [0,1,0,0,0,0|3,0,0]=4 189 B13R0.340 CCCCOCCNC(=O)C(C)CC WXVL_AK9674SB0054 [0,1,0,0,0,0|3,0,0]=4 190 B13R0.340 CCCCOCCNC(=O)[C@@H](O)CC WXVL_AK9674SB3573 [0,1,0,0,0,0|3,0,0]=4 191 B13R0.340 CCCCOCCNC(=O)[C@@H](O)CC WXVL_AK9674SB3573 [0,1,0,0,0,0|3,0,0]=4 192 B13R0.340 CCCCOCCNC(=O)[C@H](C)CC WXVL_AK9674SB00054 [0,1,0,0,0,0|3,0,0]=4 193 B13R0.340 CCCCOCCNC(=O)[C@H](C)CC WXVL_AK9674SB00054 [0,1,0,0,0,0|3,0,0]=4 194 B13R0.340 CC[C@@H](C)C(=O)NCCCCCCO WXVL_AK0751SB00054 [0,1,0,0,0,0|3,0,0]=4 195 B13R0.340 CC[C@@H](C)C(=O)NCCCCCCO WXVL_AK0751SB00054 [0,1,0,0,0,0|3,0,0]=4 196 B13R0.340 CC[C@H](O)C(=O)NCCCCCCO WXVL_AK0751SB3573 [0,1,0,0,0,0|3,0,0]=4 197 B13R0.340 CC[C@H](O)C(=O)NCCCCCCO WXVL_AK0751SB3573 [0,1,0,0,0,0|3,0,0]=4 198 B13R0.1338 CCCCCCCCS(=O)(=O)NCC WXVL_AK00476HU0331 [0,1,0,0,0,0|2,0,0]=3 199 B13R0.1338 CCCCCCCCS(=O)(=O)NCC WXVL_AK00476HU0331 [0,1,0,0,0,0|2,0,0]=3 200 B13R1.42 CCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0073 [0,0,0,1,0,0|3,0,0]=4 201 B13R1.42 CCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0073 [0,0,0,1,0,0|3,0,0]=4 202 B13R1.42 CCCC(=O)NCC1CCCOC1 WXVL_AK00150SB0073 [0,0,0,1,0,0|3,0,0]=4 203 B13R1.42 CCCC(=O)NCC1CCCOC1 WXVL_AK00150SB0073 [0,0,0,1,0,0|3,0,0]=4 204 B13R1.42 CCCC(=O)NCC1CCOCC1 WXVL_AK0150SB0073 [0,0,0,1,0,0|3,0,0]=4 205 B13R1.42 CCCC(=O)NCC1CCOCC1 WXVL_AK0150SB0073 [0,0,0,1,0,0|3,0,0]=4 206 B13R1.42 CCCC(=O)NCC1CCSCC1 WXVL_AK00654SB0073 [0,0,0,1,0,0|3,0,0]=4 207 B13R1.42 CCCC(=O)NCC1CCSCC1 WXVL_AK00654SB0073 [0,0,0,1,0,0|3,0,0]=4 208 B13R1.42 CCNC(=O)/C=C/C1CCCCC1 WXVL_AK00476SB5384 [0,0,0,1,0,0|1,0,2]=4 209 B13R1.42 CCNC(=O)/C=C/C1CCCCC1 WXVL_AK00476SB5384 [0,0,0,1,0,0|1,0,2]=4 210 B13R1.42 CCNC(=O)CCC1CCCCC1 WXVL_AK00476SB0049 [0,0,0,1,0,0|1,0,0]=2 211 B13R1.42 CCNC(=O)CCC1CCCCC1 WXVL_AK00476SB0049 [0,0,0,1,0,0|1,0,0]=2 212 B13R1.42 CCNC(=O)CCN1CCCCC1 WXVL_AK00476SB0127 [0,0,0,1,0,0|2,0,0]=3 213 B13R1.42 CCNC(=O)CCN1CCCCC1 WXVL_AK00476SB0127 [0,0,0,1,0,0|2,0,0]=3 214 B13R1.42 CCNC(=O)CCN1CCOCC1 WXVL_AK00476SB0196 [0,0,0,1,0,0|3,0,0]=4 215 B13R1.42 CCNC(=O)CCN1CCOCC1 WXVL_AK00476SB0196 [0,0,0,1,0,0|3,0,0]=4 216 B13R1.42 CCNC(=O)COC1CCCCC1 WXVL_AK00476SB3400 [0,0,0,1,0,0|2,0,0]=3 217 B13R1.42 CCNC(=O)COC1CCCCC1 WXVL_AK00476SB3400 [0,0,0,1,0,0|2,0,0]=3 218 B13R1.404 C/C=C/C(=O)NCCC1CCCC1 WXVL_AK00531SB0340 [0,0,0,1,0,0|2,0,1]=4 219 B13R1.404 C/C=C/C(=O)NCCC1CCCC1 WXVL_AK00531SB0340 [0,0,0,1,0,0|2,0,1]=4 220 B13R1.404 CC#CC(=O)NCCC1CCCC1 WXVL_AK00531SB1240 [0,0,0,1,0,0|2,0,1]=4 221 B13R1.404 CC#CC(=O)NCCC1CCCC1 WXVL_AK00531SB1240 [0,0,0,1,0,0|2,0,1]=4 222 B13R1.404 CCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0073 [0,0,0,1,0,0|2,0,0]=3 223 B13R1.404 CCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0073 [0,0,0,1,0,0|2,0,0]=3 224 B13R1.404 COCC(=O)NCCC1CCCC1 WXVL_AK00531SB0090 [0,0,0,1,0,0|3,0,0]=4 225 B13R1.404 COCC(=O)NCCC1CCCC1 WXVL_AK00531SB0090 [0,0,0,1,0,0|3,0,0]=4 226 B13R1.404 CSCC(=O)NCCC1CCCC1 WXVL_AK00531SB1267 [0,0,0,1,0,0|3,0,0]=4 227 B13R1.404 CSCC(=O)NCCC1CCCC1 WXVL_AK00531SB1267 [0,0,0,1,0,0|3,0,0]=4 228 B13R1.444 CCCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0073 [0,0,0,1,0,0|3,0,0]=4 229 B13R1.444 CCCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0073 [0,0,0,1,0,0|3,0,0]=4 230 B13R1.464 CCCC(=O)N1CCCCC1CO WXVL_AN0018SB0073 [0,0,0,1,0,0|3,0,0]=4 231 B13R1.464 CCCC(=O)N1CCCCC1CO WXVL_AN0018SB0073 [0,0,0,1,0,0|3,0,0]=4 232 B13R1.3151 CCCCOCCNC(=O)C1CC1 WXVL_AK9674SB0038 [0,0,0,1,0,0|3,0,0]=4 233 B13R1.3151 CCCCOCCNC(=O)C1CC1 WXVL_AK9674SB0038 [0,0,0,1,0,0|3,0,0]=4 234 B13R1.3151 O=C(NCCCCCCO)C1CC1 WXVL_AK0751SB0038 [0,0,0,1,0,0|3,0,0]=4 235 B13R1.3151 O=C(NCCCCCCO)C1CC1 WXVL_AK0751SB0038 [0,0,0,1,0,0|3,0,0]=4 236 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [2,0,0,0,0,0|2,0,0]=4 237 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [2,0,0,0,0,0|2,0,0]=4 238 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [2,0,0,0,0,0|2,0,0]=4 239 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [2,0,0,0,0,0|2,0,0]=4 240 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [2,0,0,0,0,0|2,0,0]=4 241 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [2,0,0,0,0,0|2,0,0]=4 242 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [2,0,0,0,0,0|2,0,0]=4 243 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [2,0,0,0,0,0|2,0,0]=4 244 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [2,0,0,0,0,0|1,0,0]=3 245 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [2,0,0,0,0,0|1,0,0]=3 246 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [2,0,0,0,0,0|1,0,0]=3 247 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [2,0,0,0,0,0|1,0,0]=3 248 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [2,0,0,0,0,0|2,0,0]=4 249 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [2,0,0,0,0,0|2,0,0]=4 250 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [2,0,0,0,0,0|2,0,0]=4 251 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [2,0,0,0,0,0|2,0,0]=4 252 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [2,0,0,0,0,0|2,0,0]=4 253 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [2,0,0,0,0,0|2,0,0]=4 254 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [2,0,0,0,0,0|2,0,0]=4 255 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [2,0,0,0,0,0|2,0,0]=4 256 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [2,0,0,0,0,0|1,0,0]=3 257 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [2,0,0,0,0,0|1,0,0]=3 258 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [2,0,0,0,0,0|2,0,0]=4 259 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [2,0,0,0,0,0|2,0,0]=4 260 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [2,0,0,0,0,0|2,0,0]=4 261 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [2,0,0,0,0,0|2,0,0]=4 262 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [2,0,0,0,0,0|2,0,0]=4 263 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [2,0,0,0,0,0|2,0,0]=4 264 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [1,1,0,0,0,0|2,0,0]=4 265 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [1,1,0,0,0,0|2,0,0]=4 266 B12R0.4 CC(C)NC(=O)CCCCCCBr WXVL_AK0030SB1386 [1,1,0,0,0,0|2,0,0]=4 267 B12R0.4 CC(C)NC(=O)CCCCCCBr WXVL_AK0030SB1386 [1,1,0,0,0,0|2,0,0]=4 268 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [1,1,0,0,0,0|1,0,0]=3 269 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [1,1,0,0,0,0|1,0,0]=3 270 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [1,1,0,0,0,0|2,0,0]=4 271 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [1,1,0,0,0,0|2,0,0]=4 272 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [1,1,0,0,0,0|2,0,0]=4 273 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [1,1,0,0,0,0|2,0,0]=4 274 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [1,1,0,0,0,0|2,0,0]=4 275 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [1,1,0,0,0,0|2,0,0]=4 276 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [1,1,0,0,0,0|2,0,0]=4 277 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [1,1,0,0,0,0|2,0,0]=4 278 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [1,1,0,0,0,0|2,0,0]=4 279 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [1,1,0,0,0,0|2,0,0]=4 280 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [1,1,0,0,0,0|2,0,0]=4 281 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [1,1,0,0,0,0|2,0,0]=4 282 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [1,1,0,0,0,0|1,0,0]=3 283 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [1,1,0,0,0,0|1,0,0]=3 284 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [1,1,0,0,0,0|1,0,1]=4 285 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [1,1,0,0,0,0|1,0,1]=4 286 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [1,1,0,0,0,0|1,0,1]=4 287 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [1,1,0,0,0,0|1,0,1]=4 288 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [1,1,0,0,0,0|1,0,1]=4 289 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [1,1,0,0,0,0|1,0,1]=4 290 B12R0.113 CCCCCNC(=O)CC(=O)OC WXVL_AK0076SB2790 [1,1,0,0,0,0|1,0,1]=4 291 B12R0.113 CCCCCNC(=O)CC(=O)OC WXVL_AK0076SB2790 [1,1,0,0,0,0|1,0,1]=4 292 B12R0.142 CCCCNC(=O)CCC(=O)OC WXVL_AK00588SB0069 [1,1,0,0,0,0|1,0,1]=4 293 B12R0.142 CCCCNC(=O)CCC(=O)OC WXVL_AK00588SB0069 [1,1,0,0,0,0|1,0,1]=4 294 B12R0.184 CCC(=O)NCCCCCN(C)C WXVL_AK0956SB0064 [1,1,0,0,0,0|2,0,0]=4 295 B12R0.184 CCC(=O)NCCCCCN(C)C WXVL_AK0956SB0064 [1,1,0,0,0,0|2,0,0]=4 296 B12R0.184 COC(=O)CCCCCCC(=O)N WXVL_AK0084SB3124 [1,1,0,0,0,0|1,0,1]=4 297 B12R0.184 COC(=O)CCCCCCC(=O)N WXVL_AK0084SB3124 [1,1,0,0,0,0|1,0,1]=4 298 B12R0.184 COC(=O)CCCCCNC(=O)C WXVL_AK00438SB0150 [1,1,0,0,0,0|1,0,1]=4 299 B12R0.184 COC(=O)CCCCCNC(=O)C WXVL_AK00438SB0150 [1,1,0,0,0,0|1,0,1]=4 300 B12R0.251 CC(C)C(=O)NCCCCCCO WXVL_AK0751SB0052 [1,1,0,0,0,0|2,0,0]=4 301 B12R0.251 CC(C)C(=O)NCCCCCCO WXVL_AK0751SB0052 [1,1,0,0,0,0|2,0,0]=4 302 B12R0.251 CC(S)C(=O)NCCCCCCO WXVL_AK0751SB2708 [1,1,0,0,0,0|2,0,0]=4 303 B12R0.251 CC(S)C(=O)NCCCCCCO WXVL_AK0751SB2708 [1,1,0,0,0,0|2,0,0]=4 304 B12R0.251 CCCCCCCCC(=O)N(C)C WXVL_AN0032SB0409 [1,1,0,0,0,0|1,0,0]=3 305 B12R0.251 CCCCCCCCC(=O)N(C)C WXVL_AN0032SB0409 [1,1,0,0,0,0|1,0,0]=3 306 B12R0.251 CCCCOCCNC(=O)C(C)C WXVL_AK9674SB0052 [1,1,0,0,0,0|2,0,0]=4 307 B12R0.251 CCCCOCCNC(=O)C(C)C WXVL_AK9674SB0052 [1,1,0,0,0,0|2,0,0]=4 308 B12R0.251 CCCCOCCNC(=O)C(C)S WXVL_AK9674SB2708 [1,1,0,0,0,0|2,0,0]=4 309 B12R0.251 CCCCOCCNC(=O)C(C)S WXVL_AK9674SB2708 [1,1,0,0,0,0|2,0,0]=4 310 B12R0.251 CCCCOCCNC(=O)[C@@H](C)O WXVL_AK9674SB1085 [1,1,0,0,0,0|2,0,0]=4 311 B12R0.251 CCCCOCCNC(=O)[C@@H](C)O WXVL_AK9674SB1085 [1,1,0,0,0,0|2,0,0]=4 312 B12R0.251 CN(C)C(=O)CCCCCCCBr WXVL_AN0032SB0559 [1,1,0,0,0,0|2,0,0]=4 313 B12R0.251 CN(C)C(=O)CCCCCCCBr WXVL_AN0032SB0559 [1,1,0,0,0,0|2,0,0]=4 314 B12R0.251 CN(C)C(=O)CCCCCCCO WXVL_AN0032SB1306 [1,1,0,0,0,0|2,0,0]=4 315 B12R0.251 CN(C)C(=O)CCCCCCCO WXVL_AN0032SB1306 [1,1,0,0,0,0|2,0,0]=4 316 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO WXVL_AK0751SB1085 [1,1,0,0,0,0|2,0,0]=4 317 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO WXVL_AK0751SB1085 [1,1,0,0,0,0|2,0,0]=4 318 B12R0.312 CCCCCCCCS(=O)(=O)NC WXVL_AK00442HU0331 [1,1,0,0,0,0|2,0,0]=4 319 B12R0.312 CCCCCCCCS(=O)(=O)NC WXVL_AK00442HU0331 [1,1,0,0,0,0|2,0,0]=4 320 B14R0.32 CCNC(=O)CCCCCCC(=O)OC WXVL_AK00476SB3124 [0,2,0,0,0,0|1,0,1]=4 321 B14R0.32 CCNC(=O)CCCCCCC(=O)OC WXVL_AK00476SB3124 [0,2,0,0,0,0|1,0,1]=4 322 B14R0.32 CCOC(=O)CCCCCNC(=O)NC WXVL_AK00442YV0146 [0,2,0,0,0,0|1,0,1]=4 323 B14R0.32 CCOC(=O)CCCCCNC(=O)NC WXVL_AK00442YV0146 [0,2,0,0,0,0|1,0,1]=4 324 B14R0.73 CCCCCCCC(O)CC(=O)NCC WXVL_AK00476SB4065 [0,2,0,0,0,0|1,0,0]=3 325 B14R0.73 CCCCCCCC(O)CC(=O)NCC WXVL_AK00476SB4065 [0,2,0,0,0,0|1,0,0]=3 326 B14R0.73 CCCCCCNC(=O)CC(=O)OCC WXVL_AK0286SB3094 [0,2,0,0,0,0|0,0,1]=3 327 B14R0.73 CCCCCCNC(=O)CC(=O)OCC WXVL_AK0286SB3094 [0,2,0,0,0,0|0,0,1]=3 328 B14R0.73 CCOC(=O)CC(=O)NCCCCCO WXVL_AK0077SB3094 [0,2,0,0,0,0|1,0,1]=4 329 B14R0.73 CCOC(=O)CC(=O)NCCCCCO WXVL_AK0077SB3094 [0,2,0,0,0,0|1,0,1]=4 330 B14R0.73 CCOCCCNC(=O)CC(=O)OCC WXVL_AK0072SB3094 [0,2,0,0,0,0|1,0,1]=4 331 B14R0.73 CCOCCCNC(=O)CC(=O)OCC WXVL_AK0072SB3094 [0,2,0,0,0,0|1,0,1]=4 332 B14R0.83 CCCCCCCCC(=O)N(C)CC#N WXVL_AN2942SB0409 [0,2,0,0,0,0|1,0,1]=4 333 B14R0.83 CCCCCCCCC(=O)N(C)CC#N WXVL_AN2942SB0409 [0,2,0,0,0,0|1,0,1]=4 334 B14R0.83 CCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB0409 [0,2,0,0,0,0|1,0,0]=3 335 B14R0.83 CCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB0409 [0,2,0,0,0,0|1,0,0]=3 336 B14R0.83 CCCCOCCNC(=O)C(=O)OCC WXVL_AK9674SB4144 [0,2,0,0,0,0|1,0,1]=4 337 B14R0.83 CCCCOCCNC(=O)C(=O)OCC WXVL_AK9674SB4144 [0,2,0,0,0,0|1,0,1]=4 338 B14R0.83 CCOC(=O)C(=O)NCCCCCCO WXVL_AK0751SB4144 [0,2,0,0,0,0|1,0,1]=4 339 B14R0.83 CCOC(=O)C(=O)NCCCCCCO WXVL_AK0751SB4144 [0,2,0,0,0,0|1,0,1]=4 340 B14R0.83 CN(CCO)C(=O)CCCCCCCBr WXVL_AN2670SB0559 [0,2,0,0,0,0|2,0,0]=4 341 B14R0.83 CN(CCO)C(=O)CCCCCCCBr WXVL_AN2670SB0559 [0,2,0,0,0,0|2,0,0]=4 342 B14R0.83 CN(CCO)C(=O)CCCCCCCO WXVL_AN2670SB1306 [0,2,0,0,0,0|2,0,0]=4 343 B14R0.83 CN(CCO)C(=O)CCCCCCCO WXVL_AN2670SB1306 [0,2,0,0,0,0|2,0,0]=4 344 B14R0.181 C/C=C(\C)/C(=O)NCCCCCCCC WXVL_AK1818SB0343 [0,2,0,0,0,0|1,0,1]=4 345 B14R0.181 C/C=C(\C)/C(=O)NCCCCCCCC WXVL_AK1818SB0343 [0,2,0,0,0,0|1,0,1]=4 346 B14R0.181 CCCCCCCCNC(=O)C(=O)CC WXVL_AK1818SB0344 [0,2,0,0,0,0|1,0,0]=3 347 B14R0.181 CCCCCCCCNC(=O)C(=O)CC WXVL_AK1818SB0344 [0,2,0,0,0,0|1,0,0]=3 348 B14R0.181 CCCCCCCCNC(=O)C(C)CC WXVL_AK1818SB0054 [0,2,0,0,0,0|1,0,0]=3 349 B14R0.181 CCCCCCCCNC(=O)C(C)CC WXVL_AK1818SB0054 [0,2,0,0,0,0|1,0,0]=3 350 B14R0.181 CCCCCCCCNC(=O)[C@@H](C)OC WXVL_AK1818SB2926 [0,2,0,0,0,0|2,0,0]=4 351 B14R0.181 CCCCCCCCNC(=O)[C@@H](C)OC WXVL_AK1818SB2926 [0,2,0,0,0,0|2,0,0]=4 352 B14R0.181 CCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK1818SB3573 [0,2,0,0,0,0|1,0,0]=3 353 B14R0.181 CCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK1818SB3573 [0,2,0,0,0,0|1,0,0]=3 354 B14R0.181 CCCCCCCCNC(=O)[C@H](C)CC WXVL_AK1818SB00054 [0,2,0,0,0,0|1,0,0]=3 355 B14R0.181 CCCCCCCCNC(=O)[C@H](C)CC WXVL_AK1818SB00054 [0,2,0,0,0,0|1,0,0]=3 356 B14R0.181 CCCCOCCCNC(=O)C(=O)CC WXVL_AK2310SB0344 [0,2,0,0,0,0|2,0,0]=4 357 B14R0.181 CCCCOCCCNC(=O)C(=O)CC WXVL_AK2310SB0344 [0,2,0,0,0,0|2,0,0]=4 358 B14R0.181 CCCCOCCCNC(=O)C(C)CC WXVL_AK2310SB0054 [0,2,0,0,0,0|2,0,0]=4 359 B14R0.181 CCCCOCCCNC(=O)C(C)CC WXVL_AK2310SB0054 [0,2,0,0,0,0|2,0,0]=4 360 B14R0.181 CCCCOCCCNC(=O)[C@@H](O)CC WXVL_AK2310SB3573 [0,2,0,0,0,0|2,0,0]=4 361 B14R0.181 CCCCOCCCNC(=O)[C@@H](O)CC WXVL_AK2310SB3573 [0,2,0,0,0,0|2,0,0]=4 362 B14R0.181 CCCCOCCCNC(=O)[C@H](C)CC WXVL_AK2310SB00054 [0,2,0,0,0,0|2,0,0]=4 363 B14R0.181 CCCCOCCCNC(=O)[C@H](C)CC WXVL_AK2310SB00054 [0,2,0,0,0,0|2,0,0]=4 364 B14R0.199 CCCCCNC(=O)NCC(=O)OCC WXVL_AK0076YV0151 [0,2,0,0,0,0|1,0,1]=4 365 B14R0.199 CCCCCNC(=O)NCC(=O)OCC WXVL_AK0076YV0151 [0,2,0,0,0,0|1,0,1]=4 366 B14R0.391 CCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0447 [0,2,0,0,0,0|1,0,0]=3 367 B14R0.391 CCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0447 [0,2,0,0,0,0|1,0,0]=3 368 B14R0.391 CCCCCCCCNC(=O)C=C(C)C WXVL_AK1818SB0342 [0,2,0,0,0,0|1,0,1]=4 369 B14R0.391 CCCCCCCCNC(=O)C=C(C)C WXVL_AK1818SB0342 [0,2,0,0,0,0|1,0,1]=4 370 B14R0.391 CCCCCCCCNC(=O)CC(C)C WXVL_AK1818SB0063 [0,2,0,0,0,0|1,0,0]=3 371 B14R0.391 CCCCCCCCNC(=O)CC(C)C WXVL_AK1818SB0063 [0,2,0,0,0,0|1,0,0]=3 372 B14R0.391 CCCCCCCCNC(=O)CC(C)O WXVL_AK1818SB3643 [0,2,0,0,0,0|1,0,0]=3 373 B14R0.391 CCCCCCCCNC(=O)CC(C)O WXVL_AK1818SB3643 [0,2,0,0,0,0|1,0,0]=3 374 B14R0.391 CCCCCCCCNC(=O)CN(C)C WXVL_AK1818SB0085 [0,2,0,0,0,0|2,0,0]=4 375 B14R0.391 CCCCCCCCNC(=O)CN(C)C WXVL_AK1818SB0085 [0,2,0,0,0,0|2,0,0]=4 376 B14R0.391 CCCCCCCCNC(=O)NC(C)C WXVL_AK0030YV0182 [0,2,0,0,0,0|1,0,0]=3 377 B14R0.391 CCCCCCCCNC(=O)NC(C)C WXVL_AK0030YV0182 [0,2,0,0,0,0|1,0,0]=3 378 B14R0.391 CCCCOCCCNC(=O)CC(C)C WXVL_AK2310SB0063 [0,2,0,0,0,0|2,0,0]=4 379 B14R0.391 CCCCOCCCNC(=O)CC(C)C WXVL_AK2310SB0063 [0,2,0,0,0,0|2,0,0]=4 380 B14R0.391 CCCCOCCCNC(=O)CC(C)O WXVL_AK2310SB3643 [0,2,0,0,0,0|2,0,0]=4 381 B14R0.391 CCCCOCCCNC(=O)CC(C)O WXVL_AK2310SB3643 [0,2,0,0,0,0|2,0,0]=4 382 B14R0.393 C/C=C/C(=O)NCCCCCCCCC WXVL_AK1826SB0340 [0,2,0,0,0,0|1,0,1]=4 383 B14R0.393 C/C=C/C(=O)NCCCCCCCCC WXVL_AK1826SB0340 [0,2,0,0,0,0|1,0,1]=4 384 B14R0.393 C/C=C/C(=O)NCCCCCCCCO WXVL_AK4142SB0340 [0,2,0,0,0,0|1,0,1]=4 385 B14R0.393 C/C=C/C(=O)NCCCCCCCCO WXVL_AK4142SB0340 [0,2,0,0,0,0|1,0,1]=4 386 B14R0.393 C=CCCCCCCCCC(=O)NCC WXVL_AK00476SB0481 [0,2,0,0,0,0|1,0,0]=3 387 B14R0.393 C=CCCCCCCCCC(=O)NCC WXVL_AK00476SB0481 [0,2,0,0,0,0|1,0,0]=3 388 B14R0.393 CC#CC(=O)NCCCCCCCCC WXVL_AK1826SB1240 [0,2,0,0,0,0|1,0,1]=4 389 B14R0.393 CC#CC(=O)NCCCCCCCCC WXVL_AK1826SB1240 [0,2,0,0,0,0|1,0,1]=4 390 B14R0.393 CC#CC(=O)NCCCCCCCCO WXVL_AK4142SB1240 [0,2,0,0,0,0|1,0,1]=4 391 B14R0.393 CC#CC(=O)NCCCCCCCCO WXVL_AK4142SB1240 [0,2,0,0,0,0|1,0,1]=4 392 B14R0.393 CCCC(=O)NCCCCCCCCO WXVL_AK4142SB0073 [0,2,0,0,0,0|1,0,0]=3 393 B14R0.393 CCCC(=O)NCCCCCCCCO WXVL_AK4142SB0073 [0,2,0,0,0,0|1,0,0]=3 394 B14R0.393 CCCCCCCCCCC(=O)NCC WXVL_AK00476SB0490 [0,2,0,0,0,0|1,0,0]=3 395 B14R0.393 CCCCCCCCCCC(=O)NCC WXVL_AK00476SB0490 [0,2,0,0,0,0|1,0,0]=3 396 B14R0.393 CCCCCCCCCNC(=O)CCC WXVL_AK1826SB0073 [0,2,0,0,0,0|1,0,0]=3 397 B14R0.393 CCCCCCCCCNC(=O)CCC WXVL_AK1826SB0073 [0,2,0,0,0,0|1,0,0]=3 398 B14R0.393 CCCCCCCCCNC(=O)COC WXVL_AK1826SB0090 [0,2,0,0,0,0|2,0,0]=4 399 B14R0.393 CCCCCCCCCNC(=O)COC WXVL_AK1826SB0090 [0,2,0,0,0,0|2,0,0]=4 400 B14R0.393 CCCCCCCCCNC(=O)CSC WXVL_AK1826SB1267 [0,2,0,0,0,0|2,0,0]=4 401 B14R0.393 CCCCCCCCCNC(=O)CSC WXVL_AK1826SB1267 [0,2,0,0,0,0|2,0,0]=4 402 B14R0.393 COCC(=O)NCCCCCCCCO WXVL_AK4142SB0090 [0,2,0,0,0,0|2,0,0]=4 403 B14R0.393 COCC(=O)NCCCCCCCCO WXVL_AK4142SB0090 [0,2,0,0,0,0|2,0,0]=4 404 B14R0.393 CSCC(=O)NCCCCCCCCO WXVL_AK4142SB1267 [0,2,0,0,0,0|2,0,0]=4 405 B14R0.393 CSCC(=O)NCCCCCCCCO WXVL_AK4142SB1267 [0,2,0,0,0,0|2,0,0]=4 406 B14R0.493 C#CCCC(=O)NCCCCCCCC WXVL_AK1818SB2189 [0,2,0,0,0,0|1,0,1]=4 407 B14R0.493 C#CCCC(=O)NCCCCCCCC WXVL_AK1818SB2189 [0,2,0,0,0,0|1,0,1]=4 408 B14R0.493 C=CCCC(=O)NCCCCCCCC WXVL_AK1818SB1035 [0,2,0,0,0,0|1,0,1]=4 409 B14R0.493 C=CCCC(=O)NCCCCCCCC WXVL_AK1818SB1035 [0,2,0,0,0,0|1,0,1]=4 410 B14R0.493 C=CCNC(=O)CCCCCCCCC WXVL_AK00561SB0447 [0,2,0,0,0,0|1,0,1]=4 411 B14R0.493 C=CCNC(=O)CCCCCCCCC WXVL_AK00561SB0447 [0,2,0,0,0,0|1,0,1]=4 412 B14R0.493 C=CCNC(=O)NCCCCCCCC WXVL_AK00561YV0182 [0,2,0,0,0,0|1,0,1]=4 413 B14R0.493 C=CCNC(=O)NCCCCCCCC WXVL_AK00561YV0182 [0,2,0,0,0,0|1,0,1]=4 414 B14R0.493 CCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0447 [0,2,0,0,0,0|1,0,1]=4 415 B14R0.493 CCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0447 [0,2,0,0,0,0|1,0,1]=4 416 B14R0.493 CCCCCCCCCC(=O)NCCC WXVL_AK00504SB0447 [0,2,0,0,0,0|1,0,0]=3 417 B14R0.493 CCCCCCCCCC(=O)NCCC WXVL_AK00504SB0447 [0,2,0,0,0,0|1,0,0]=3 418 B14R0.493 CCCCCCCCCC(=O)NCCF WXVL_AK00466SB0447 [0,2,0,0,0,0|1,0,0]=3 419 B14R0.493 CCCCCCCCCC(=O)NCCF WXVL_AK00466SB0447 [0,2,0,0,0,0|1,0,0]=3 420 B14R0.493 CCCCCCCCNC(=O)/C=C/CBr WXVL_AK1818SB0424 [0,2,0,0,0,0|1,0,1]=4 421 B14R0.493 CCCCCCCCNC(=O)/C=C/CBr WXVL_AK1818SB0424 [0,2,0,0,0,0|1,0,1]=4 422 B14R0.493 CCCCCCCCNC(=O)CCOC WXVL_AK1818SB0156 [0,2,0,0,0,0|1,0,0]=3 423 B14R0.493 CCCCCCCCNC(=O)CCOC WXVL_AK1818SB0156 [0,2,0,0,0,0|1,0,0]=3 424 B14R0.493 CCCCCCCCNC(=O)CCSC WXVL_AK1818SB0361 [0,2,0,0,0,0|1,0,0]=3 425 B14R0.493 CCCCCCCCNC(=O)CCSC WXVL_AK1818SB0361 [0,2,0,0,0,0|1,0,0]=3 426 B14R0.493 CCCCCCCCNC(=O)COCC WXVL_AK1818SB0091 [0,2,0,0,0,0|0,0,0]=2 427 B14R0.493 CCCCCCCCNC(=O)COCC WXVL_AK1818SB0091 [0,2,0,0,0,0|0,0,0]=2 428 B14R0.493 CCCCCCCCNC(=O)CSCC WXVL_AK1818SB0002 [0,2,0,0,0,0|0,1,0]=3 429 B14R0.493 CCCCCCCCNC(=O)CSCC WXVL_AK1818SB0002 [0,2,0,0,0,0|0,1,0]=3 430 B14R0.493 CCCCCCCCNC(=O)NCC#N WXVL_AK0683YV0182 [0,2,0,0,0,0|1,0,1]=4 431 B14R0.493 CCCCCCCCNC(=O)NCC#N WXVL_AK0683YV0182 [0,2,0,0,0,0|1,0,1]=4 432 B14R0.493 CCCCCCCCNC(=O)NCCC WXVL_AK00504YV0182 [0,2,0,0,0,0|1,0,0]=3 433 B14R0.493 CCCCCCCCNC(=O)NCCC WXVL_AK00504YV0182 [0,2,0,0,0,0|1,0,0]=3 434 B14R0.493 CCCCCCCCNC(=O)NCCCl WXVL_AK1818YV0092 [0,2,0,0,0,0|1,0,0]=3 435 B14R0.493 CCCCCCCCNC(=O)NCCCl WXVL_AK1818YV0092 [0,2,0,0,0,0|1,0,0]=3 436 B14R0.493 CCCCCCCCNC(=O)NCCF WXVL_AK00466YV0182 [0,2,0,0,0,0|1,0,0]=3 437 B14R0.493 CCCCCCCCNC(=O)NCCF WXVL_AK00466YV0182 [0,2,0,0,0,0|1,0,0]=3 438 B14R0.493 CCCCOCCCNC(=O)CCOC WXVL_AK2310SB0156 [0,2,0,0,0,0|2,0,0]=4 439 B14R0.493 CCCCOCCCNC(=O)CCOC WXVL_AK2310SB0156 [0,2,0,0,0,0|2,0,0]=4 440 B14R0.493 CCCCOCCCNC(=O)CCSC WXVL_AK2310SB0361 [0,2,0,0,0,0|2,0,0]=4 441 B14R0.493 CCCCOCCCNC(=O)CCSC WXVL_AK2310SB0361 [0,2,0,0,0,0|2,0,0]=4 442 B14R0.493 CCCCOCCCNC(=O)COCC WXVL_AK2310SB0091 [0,2,0,0,0,0|1,0,0]=3 443 B14R0.493 CCCCOCCCNC(=O)COCC WXVL_AK2310SB0091 [0,2,0,0,0,0|1,0,0]=3 444 B14R0.493 CCCCOCCCNC(=O)CSCC WXVL_AK2310SB0002 [0,2,0,0,0,0|1,1,0]=4 445 B14R0.493 CCCCOCCCNC(=O)CSCC WXVL_AK2310SB0002 [0,2,0,0,0,0|1,1,0]=4 446 B14R0.493 CCCCOCCCNC(=O)NCCCl WXVL_AK2310YV0092 [0,2,0,0,0,0|2,0,0]=4 447 B14R0.493 CCCCOCCCNC(=O)NCCCl WXVL_AK2310YV0092 [0,2,0,0,0,0|2,0,0]=4 448 B14R0.1390 CCCCCCCCNS(=O)(=O)CCC WXVL_AK1818HU0030 [0,2,0,0,0,0|2,0,0]=4 449 B14R0.1390 CCCCCCCCNS(=O)(=O)CCC WXVL_AK1818HU0030 [0,2,0,0,0,0|2,0,0]=4 450 B14R0.2432 CCOC(=O)CCNC(=O)CCCCBr WXVL_AK0465SB3153 [0,2,0,0,0,0|1,0,1]=4 451 B14R0.2432 CCOC(=O)CCNC(=O)CCCCBr WXVL_AK0465SB3153 [0,2,0,0,0,0|1,0,1]=4 452 B14R0.2432 CCOC(=O)CCNC(=O)CCCCCl WXVL_AK0465SB0379 [0,2,0,0,0,0|1,0,1]=4 453 B14R0.2432 CCOC(=O)CCNC(=O)CCCCCl WXVL_AK0465SB0379 [0,2,0,0,0,0|1,0,1]=4 454 B14R0.82 C#C[C@@H](C)NC(=O)CCCCCCCBr WXVL_AK00735SB0559 [0,2,0,0,0,0|2,0,0]=4 455 B14R0.82 C#C[C@@H](C)NC(=O)CCCCCCCBr WXVL_AK00735SB0559 [0,2,0,0,0,0|2,0,0]=4 456 B14R0.82 C#C[C@@H](C)NC(=O)CCCCCCCC WXVL_AK00735SB0409 [0,2,0,0,0,0|1,0,0]=3 457 B14R0.82 C#C[C@@H](C)NC(=O)CCCCCCCC WXVL_AK00735SB0409 [0,2,0,0,0,0|1,0,0]=3 458 B14R0.82 C#C[C@@H](C)NC(=O)CCCCCCCO WXVL_AK00735SB1306 [0,2,0,0,0,0|2,0,0]=4 459 B14R0.82 C#C[C@@H](C)NC(=O)CCCCCCCO WXVL_AK00735SB1306 [0,2,0,0,0,0|2,0,0]=4 460 B14R0.82 C=CC(C)NC(=O)CCCCCCCBr WXVL_AK00769SB0559 [0,2,0,0,0,0|2,0,0]=4 461 B14R0.82 C=CC(C)NC(=O)CCCCCCCBr WXVL_AK00769SB0559 [0,2,0,0,0,0|2,0,0]=4 462 B14R0.82 C=CC(C)NC(=O)CCCCCCCC WXVL_AK00769SB0409 [0,2,0,0,0,0|1,0,0]=3 463 B14R0.82 C=CC(C)NC(=O)CCCCCCCC WXVL_AK00769SB0409 [0,2,0,0,0,0|1,0,0]=3 464 B14R0.82 C=CC(C)NC(=O)CCCCCCCO WXVL_AK00769SB1306 [0,2,0,0,0,0|2,0,0]=4 465 B14R0.82 C=CC(C)NC(=O)CCCCCCCO WXVL_AK00769SB1306 [0,2,0,0,0,0|2,0,0]=4 466 B14R0.82 CC(C#N)NC(=O)CCCCCCCBr WXVL_AK00810SB0559 [0,2,0,0,0,0|2,0,0]=4 467 B14R0.82 CC(C#N)NC(=O)CCCCCCCBr WXVL_AK00810SB0559 [0,2,0,0,0,0|2,0,0]=4 468 B14R0.82 CC(C#N)NC(=O)CCCCCCCO WXVL_AK00810SB1306 [0,2,0,0,0,0|2,0,0]=4 469 B14R0.82 CC(C#N)NC(=O)CCCCCCCO WXVL_AK00810SB1306 [0,2,0,0,0,0|2,0,0]=4 470 B14R0.82 CCCCCCCCC(=O)NC(C)C#N WXVL_AK00810SB0409 [0,2,0,0,0,0|1,0,0]=3 471 B14R0.82 CCCCCCCCC(=O)NC(C)C#N WXVL_AK00810SB0409 [0,2,0,0,0,0|1,0,0]=3 472 B14R0.82 CCCCCCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0409 [0,2,0,0,0,0|1,0,0]=3 473 B14R0.82 CCCCCCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0409 [0,2,0,0,0,0|1,0,0]=3 474 B14R0.82 CCCCCCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0409 [0,2,0,0,0,0|1,0,0]=3 475 B14R0.82 CCCCCCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0409 [0,2,0,0,0,0|1,0,0]=3 476 B14R0.82 CCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0409 [0,2,0,0,0,0|1,0,0]=3 477 B14R0.82 CCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0409 [0,2,0,0,0,0|1,0,0]=3 478 B14R0.82 CC[C@H](C)NC(=O)CCCCCCCBr WXVL_AK00678SB0559 [0,2,0,0,0,0|2,0,0]=4 479 B14R0.82 CC[C@H](C)NC(=O)CCCCCCCBr WXVL_AK00678SB0559 [0,2,0,0,0,0|2,0,0]=4 480 B14R0.82 CC[C@H](C)NC(=O)CCCCCCCO WXVL_AK00678SB1306 [0,2,0,0,0,0|2,0,0]=4 481 B14R0.82 CC[C@H](C)NC(=O)CCCCCCCO WXVL_AK00678SB1306 [0,2,0,0,0,0|2,0,0]=4 482 B14R0.82 C[C@@H](CF)NC(=O)CCCCCCCBr WXVL_AK00558SB0559 [0,2,0,0,0,0|2,0,0]=4 483 B14R0.82 C[C@@H](CF)NC(=O)CCCCCCCBr WXVL_AK00558SB0559 [0,2,0,0,0,0|2,0,0]=4 484 B14R0.82 C[C@@H](CF)NC(=O)CCCCCCCO WXVL_AK00558SB1306 [0,2,0,0,0,0|2,0,0]=4 485 B14R0.82 C[C@@H](CF)NC(=O)CCCCCCCO WXVL_AK00558SB1306 [0,2,0,0,0,0|2,0,0]=4 486 B14R0.82 C[C@@H](CO)NC(=O)CCCCCCCBr WXVL_AK0109SB0559 [0,2,0,0,0,0|2,0,0]=4 487 B14R0.82 C[C@@H](CO)NC(=O)CCCCCCCBr WXVL_AK0109SB0559 [0,2,0,0,0,0|2,0,0]=4 488 B14R0.82 C[C@@H](CO)NC(=O)CCCCCCCO WXVL_AK0109SB1306 [0,2,0,0,0,0|2,0,0]=4 489 B14R0.82 C[C@@H](CO)NC(=O)CCCCCCCO WXVL_AK0109SB1306 [0,2,0,0,0,0|2,0,0]=4 490 B14R0.153 CCOCC(=O)NCCCCCN(C)C WXVL_AK0956SB0091 [0,2,0,0,0,0|2,0,0]=4 491 B14R0.153 CCOCC(=O)NCCCCCN(C)C WXVL_AK0956SB0091 [0,2,0,0,0,0|2,0,0]=4 492 B14R0.179 C#CCCNC(=O)CCCCCCCBr WXVL_AK3109SB0559 [0,2,0,0,0,0|2,0,0]=4 493 B14R0.179 C#CCCNC(=O)CCCCCCCBr WXVL_AK3109SB0559 [0,2,0,0,0,0|2,0,0]=4 494 B14R0.179 C#CCCNC(=O)CCCCCCCC WXVL_AK3109SB0409 [0,2,0,0,0,0|1,0,0]=3 495 B14R0.179 C#CCCNC(=O)CCCCCCCC WXVL_AK3109SB0409 [0,2,0,0,0,0|1,0,0]=3 496 B14R0.179 C#CCCNC(=O)CCCCCCCO WXVL_AK3109SB1306 [0,2,0,0,0,0|2,0,0]=4 497 B14R0.179 C#CCCNC(=O)CCCCCCCO WXVL_AK3109SB1306 [0,2,0,0,0,0|2,0,0]=4 498 B14R0.179 C=CCCNC(=O)CCCCCCCBr WXVL_AK00138SB0559 [0,2,0,0,0,0|2,0,0]=4 499 B14R0.179 C=CCCNC(=O)CCCCCCCBr WXVL_AK00138SB0559 [0,2,0,0,0,0|2,0,0]=4 500 B14R0.179 C=CCCNC(=O)CCCCCCCC WXVL_AK00138SB0409 [0,2,0,0,0,0|1,0,0]=3 501 B14R0.179 C=CCCNC(=O)CCCCCCCC WXVL_AK00138SB0409 [0,2,0,0,0,0|1,0,0]=3 502 B14R0.179 C=CCCNC(=O)CCCCCCCO WXVL_AK00138SB1306 [0,2,0,0,0,0|2,0,0]=4 503 B14R0.179 C=CCCNC(=O)CCCCCCCO WXVL_AK00138SB1306 [0,2,0,0,0,0|2,0,0]=4 504 B14R0.179 CCCCCCCCC(=O)NCCC#N WXVL_AK0087SB0409 [0,2,0,0,0,0|1,0,0]=3 505 B14R0.179 CCCCCCCCC(=O)NCCC#N WXVL_AK0087SB0409 [0,2,0,0,0,0|1,0,0]=3 506 B14R0.179 CCCCCCCCC(=O)NCCCC WXVL_AK00588SB0409 [0,2,0,0,0,0|1,0,0]=3 507 B14R0.179 CCCCCCCCC(=O)NCCCC WXVL_AK00588SB0409 [0,2,0,0,0,0|1,0,0]=3 508 B14R0.179 CCCCCCCCC(=O)NCCCO WXVL_AK0073SB0409 [0,2,0,0,0,0|1,0,0]=3 509 B14R0.179 CCCCCCCCC(=O)NCCCO WXVL_AK0073SB0409 [0,2,0,0,0,0|1,0,0]=3 510 B14R0.179 CCCCCCCCC(=O)NCCSC WXVL_AK00440SB0409 [0,2,0,0,0,0|1,0,0]=3 511 B14R0.179 CCCCCCCCC(=O)NCCSC WXVL_AK00440SB0409 [0,2,0,0,0,0|1,0,0]=3 512 B14R0.179 CCCCNC(=O)CCCCCCCBr WXVL_AK00588SB0559 [0,2,0,0,0,0|2,0,0]=4 513 B14R0.179 CCCCNC(=O)CCCCCCCBr WXVL_AK00588SB0559 [0,2,0,0,0,0|2,0,0]=4 514 B14R0.179 CCCCNC(=O)CCCCCCCO WXVL_AK00588SB1306 [0,2,0,0,0,0|2,0,0]=4 515 B14R0.179 CCCCNC(=O)CCCCCCCO WXVL_AK00588SB1306 [0,2,0,0,0,0|2,0,0]=4 516 B14R0.179 CCCCOCCNC(=O)/C=C/OCC WXVL_AK9674SB3226 [0,2,0,0,0,0|2,0,0]=4 517 B14R0.179 CCCCOCCNC(=O)/C=C/OCC WXVL_AK9674SB3226 [0,2,0,0,0,0|2,0,0]=4 518 B14R0.179 CCO/C=C/C(=O)NCCCCCCO WXVL_AK0751SB3226 [0,2,0,0,0,0|2,0,0]=4 519 B14R0.179 CCO/C=C/C(=O)NCCCCCCO WXVL_AK0751SB3226 [0,2,0,0,0,0|2,0,0]=4 520 B14R0.179 CSCCNC(=O)CCCCCCCBr WXVL_AK00440SB0559 [0,2,0,0,0,0|2,0,0]=4 521 B14R0.179 CSCCNC(=O)CCCCCCCBr WXVL_AK00440SB0559 [0,2,0,0,0,0|2,0,0]=4 522 B14R0.179 CSCCNC(=O)CCCCCCCO WXVL_AK00440SB1306 [0,2,0,0,0,0|2,0,0]=4 523 B14R0.179 CSCCNC(=O)CCCCCCCO WXVL_AK00440SB1306 [0,2,0,0,0,0|2,0,0]=4 524 B14R0.179 N#CCCNC(=O)CCCCCCCBr WXVL_AK0087SB0559 [0,2,0,0,0,0|2,0,0]=4 525 B14R0.179 N#CCCNC(=O)CCCCCCCBr WXVL_AK0087SB0559 [0,2,0,0,0,0|2,0,0]=4 526 B14R0.179 N#CCCNC(=O)CCCCCCCO WXVL_AK0087SB1306 [0,2,0,0,0,0|2,0,0]=4 527 B14R0.179 N#CCCNC(=O)CCCCCCCO WXVL_AK0087SB1306 [0,2,0,0,0,0|2,0,0]=4 528 B14R0.179 O=C(CCCCCCCBr)NCCCO WXVL_AK0073SB0559 [0,2,0,0,0,0|2,0,0]=4 529 B14R0.179 O=C(CCCCCCCBr)NCCCO WXVL_AK0073SB0559 [0,2,0,0,0,0|2,0,0]=4 530 B14R0.179 O=C(CCCCCCCO)NCCCO WXVL_AK0073SB1306 [0,2,0,0,0,0|2,0,0]=4 531 B14R0.179 O=C(CCCCCCCO)NCCCO WXVL_AK0073SB1306 [0,2,0,0,0,0|2,0,0]=4 532 B14R0.344 C=C(C)CNC(=O)CCCCCCCBr WXVL_AK0761SB0559 [0,2,0,0,0,0|2,0,0]=4 533 B14R0.344 C=C(C)CNC(=O)CCCCCCCBr WXVL_AK0761SB0559 [0,2,0,0,0,0|2,0,0]=4 534 B14R0.344 C=C(C)CNC(=O)CCCCCCCC WXVL_AK0761SB0409 [0,2,0,0,0,0|1,0,0]=3 535 B14R0.344 C=C(C)CNC(=O)CCCCCCCC WXVL_AK0761SB0409 [0,2,0,0,0,0|1,0,0]=3 536 B14R0.344 C=C(C)CNC(=O)CCCCCCCO WXVL_AK0761SB1306 [0,2,0,0,0,0|2,0,0]=4 537 B14R0.344 C=C(C)CNC(=O)CCCCCCCO WXVL_AK0761SB1306 [0,2,0,0,0,0|2,0,0]=4 538 B14R0.344 CC(C)CNC(=O)CCCCCCCBr WXVL_AK00544SB0559 [0,2,0,0,0,0|2,0,0]=4 539 B14R0.344 CC(C)CNC(=O)CCCCCCCBr WXVL_AK00544SB0559 [0,2,0,0,0,0|2,0,0]=4 540 B14R0.344 CC(C)CNC(=O)CCCCCCCO WXVL_AK00544SB1306 [0,2,0,0,0,0|2,0,0]=4 541 B14R0.344 CC(C)CNC(=O)CCCCCCCO WXVL_AK00544SB1306 [0,2,0,0,0,0|2,0,0]=4 542 B14R0.344 CC(C)OCC(=O)NCCCCCCO WXVL_AK0751SB0213 [0,2,0,0,0,0|2,0,0]=4 543 B14R0.344 CC(C)OCC(=O)NCCCCCCO WXVL_AK0751SB0213 [0,2,0,0,0,0|2,0,0]=4 544 B14R0.344 CC(O)CNC(=O)CCCCCCCBr WXVL_AK0052SB0559 [0,2,0,0,0,0|2,0,0]=4 545 B14R0.344 CC(O)CNC(=O)CCCCCCCBr WXVL_AK0052SB0559 [0,2,0,0,0,0|2,0,0]=4 546 B14R0.344 CC(O)CNC(=O)CCCCCCCO WXVL_AK0052SB1306 [0,2,0,0,0,0|2,0,0]=4 547 B14R0.344 CC(O)CNC(=O)CCCCCCCO WXVL_AK0052SB1306 [0,2,0,0,0,0|2,0,0]=4 548 B14R0.344 CCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0409 [0,2,0,0,0,0|1,0,1]=4 549 B14R0.344 CCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0409 [0,2,0,0,0,0|1,0,1]=4 550 B14R0.344 CCCCCCCCC(=O)NCC(C)C WXVL_AK00544SB0409 [0,2,0,0,0,0|1,0,0]=3 551 B14R0.344 CCCCCCCCC(=O)NCC(C)C WXVL_AK00544SB0409 [0,2,0,0,0,0|1,0,0]=3 552 B14R0.344 CCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB0409 [0,2,0,0,0,0|1,0,0]=3 553 B14R0.344 CCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB0409 [0,2,0,0,0,0|1,0,0]=3 554 B14R0.344 CCCCCCCCC(=O)NCC(F)F WXVL_AK0136SB0409 [0,2,0,0,0,0|1,0,0]=3 555 B14R0.344 CCCCCCCCC(=O)NCC(F)F WXVL_AK0136SB0409 [0,2,0,0,0,0|1,0,0]=3 556 B14R0.344 CCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB0409 [0,2,0,0,0,0|1,0,0]=3 557 B14R0.344 CCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB0409 [0,2,0,0,0,0|1,0,0]=3 558 B14R0.344 CCCCOCCNC(=O)COC(C)C WXVL_AK9674SB0213 [0,2,0,0,0,0|2,0,0]=4 559 B14R0.344 CCCCOCCNC(=O)COC(C)C WXVL_AK9674SB0213 [0,2,0,0,0,0|2,0,0]=4 560 B14R0.344 C[C@H](O)CNC(=O)CCCCCCCBr WXVL_AK0113SB0559 [0,2,0,0,0,0|2,0,0]=4 561 B14R0.344 C[C@H](O)CNC(=O)CCCCCCCBr WXVL_AK0113SB0559 [0,2,0,0,0,0|2,0,0]=4 562 B14R0.344 C[C@H](O)CNC(=O)CCCCCCCO WXVL_AK0113SB1306 [0,2,0,0,0,0|2,0,0]=4 563 B14R0.344 C[C@H](O)CNC(=O)CCCCCCCO WXVL_AK0113SB1306 [0,2,0,0,0,0|2,0,0]=4 564 B14R0.344 O=C(CCCCCCCBr)NCC(F)F WXVL_AK0136SB0559 [0,2,0,0,0,0|2,0,0]=4 565 B14R0.344 O=C(CCCCCCCBr)NCC(F)F WXVL_AK0136SB0559 [0,2,0,0,0,0|2,0,0]=4 566 B14R0.344 O=C(CCCCCCCO)NCC(F)F WXVL_AK0136SB1306 [0,2,0,0,0,0|2,0,0]=4 567 B14R0.344 O=C(CCCCCCCO)NCC(F)F WXVL_AK0136SB1306 [0,2,0,0,0,0|2,0,0]=4 568 B14R0.2489 CCCCCCCCS(=O)(=O)NCCC WXVL_AK00504HU0331 [0,2,0,0,0,0|2,0,0]=4 569 B14R0.2489 CCCCCCCCS(=O)(=O)NCCC WXVL_AK00504HU0331 [0,2,0,0,0,0|2,0,0]=4 570 B14R0.2489 CCCCCCCCS(=O)(=O)NCCF WXVL_AK00466HU0331 [0,2,0,0,0,0|2,0,0]=4 571 B14R0.2489 CCCCCCCCS(=O)(=O)NCCF WXVL_AK00466HU0331 [0,2,0,0,0,0|2,0,0]=4 572 B14R0.409 CCOC(=O)CCNC(=O)CC(C)CC WXVL_AK0465SB0353 [0,2,0,0,0,0|1,0,1]=4 573 B14R0.409 CCOC(=O)CCNC(=O)CC(C)CC WXVL_AK0465SB0353 [0,2,0,0,0,0|1,0,1]=4 574 B14R0.409 CCOC(=O)CCNC(=O)CC(O)CC WXVL_AK0465SB4092 [0,2,0,0,0,0|1,0,1]=4 575 B14R0.409 CCOC(=O)CCNC(=O)CC(O)CC WXVL_AK0465SB4092 [0,2,0,0,0,0|1,0,1]=4 576 B14R0.409 CCOC(=O)CCNC(=O)C[C@H](C)CC WXVL_AK0465SB8650 [0,2,0,0,0,0|1,0,1]=4 577 B14R0.409 CCOC(=O)CCNC(=O)C[C@H](C)CC WXVL_AK0465SB8650 [0,2,0,0,0,0|1,0,1]=4 578 B14R0.39 CCOC(=O)CCNC(=O)CCC(C)C WXVL_AK0465SB0354 [0,2,0,0,0,0|1,0,1]=4 579 B14R0.39 CCOC(=O)CCNC(=O)CCC(C)C WXVL_AK0465SB0354 [0,2,0,0,0,0|1,0,1]=4 580 B14R0.410 CCCC(C)C(=O)NCCC(=O)OCC WXVL_AK0465SB0352 [0,2,0,0,0,0|1,0,1]=4 581 B14R0.410 CCCC(C)C(=O)NCCC(=O)OCC WXVL_AK0465SB0352 [0,2,0,0,0,0|1,0,1]=4 582 B14R0.410 CCC[C@H](O)C(=O)NCCC(=O)OCC WXVL_AK0465SB3627 [0,2,0,0,0,0|1,0,1]=4 583 B14R0.410 CCC[C@H](O)C(=O)NCCC(=O)OCC WXVL_AK0465SB3627 [0,2,0,0,0,0|1,0,1]=4 584 B14R0.2516 CCCCS(=O)(=O)NCCC(=O)OCC WXVL_AK0465HU0031 [0,2,0,0,0,0|2,0,0]=4 585 B14R0.2516 CCCCS(=O)(=O)NCCC(=O)OCC WXVL_AK0465HU0031 [0,2,0,0,0,0|2,0,0]=4 586 B14R0.1824 CCCCCNS(=O)(=O)CC(=O)OCC WXVL_AK0076HU0462 [0,2,0,0,0,0|2,0,0]=4 587 B14R0.1824 CCCCCNS(=O)(=O)CC(=O)OCC WXVL_AK0076HU0462 [0,2,0,0,0,0|2,0,0]=4 588 B14R0.94 CC(C)(C)NC(=O)CCCCCCCBr WXVL_AK0024SB0559 [0,2,0,0,0,0|2,0,0]=4 589 B14R0.94 CC(C)(C)NC(=O)CCCCCCCBr WXVL_AK0024SB0559 [0,2,0,0,0,0|2,0,0]=4 590 B14R0.94 CC(C)(C)NC(=O)CCCCCCCO WXVL_AK0024SB1306 [0,2,0,0,0,0|2,0,0]=4 591 B14R0.94 CC(C)(C)NC(=O)CCCCCCCO WXVL_AK0024SB1306 [0,2,0,0,0,0|2,0,0]=4 592 B14R0.94 CCCCCCCCC(=O)NC(C)(C)C WXVL_AK0024SB0409 [0,2,0,0,0,0|1,0,0]=3 593 B14R0.94 CCCCCCCCC(=O)NC(C)(C)C WXVL_AK0024SB0409 [0,2,0,0,0,0|1,0,0]=3 594 B14R0.178 CC(C)N(C)C(=O)CCCCCCCBr WXVL_AN0073SB0559 [0,2,0,0,0,0|2,0,0]=4 595 B14R0.178 CC(C)N(C)C(=O)CCCCCCCBr WXVL_AN0073SB0559 [0,2,0,0,0,0|2,0,0]=4 596 B14R0.178 CC(C)N(C)C(=O)CCCCCCCO WXVL_AN0073SB1306 [0,2,0,0,0,0|2,0,0]=4 597 B14R0.178 CC(C)N(C)C(=O)CCCCCCCO WXVL_AN0073SB1306 [0,2,0,0,0,0|2,0,0]=4 598 B14R0.178 CCCCCCCCC(=O)N(C)C(C)C WXVL_AN0073SB0409 [0,2,0,0,0,0|1,0,0]=3 599 B14R0.178 CCCCCCCCC(=O)N(C)C(C)C WXVL_AN0073SB0409 [0,2,0,0,0,0|1,0,0]=3 600 B14R0.2523 CCCCCCCCS(=O)(=O)NC(C)C WXVL_AK0030HU0331 [0,2,0,0,0,0|2,0,0]=4 601 B14R0.2523 CCCCCCCCS(=O)(=O)NC(C)C WXVL_AK0030HU0331 [0,2,0,0,0,0|2,0,0]=4 602 B14R0.85 CCCCCCCCC(=O)N(CC)CC WXVL_AN0042SB0409 [0,2,0,0,0,0|1,0,0]=3 603 B14R0.85 CCCCCCCCC(=O)N(CC)CC WXVL_AN0042SB0409 [0,2,0,0,0,0|1,0,0]=3 604 B14R0.85 CCN(CC)C(=O)CCCCCCCBr WXVL_AN0042SB0559 [0,2,0,0,0,0|2,0,0]=4 605 B14R0.85 CCN(CC)C(=O)CCCCCCCBr WXVL_AN0042SB0559 [0,2,0,0,0,0|2,0,0]=4 606 B14R0.85 CCN(CC)C(=O)CCCCCCCO WXVL_AN0042SB1306 [0,2,0,0,0,0|2,0,0]=4 607 B14R0.85 CCN(CC)C(=O)CCCCCCCO WXVL_AN0042SB1306 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [1,0,0,1,0,0|2,0,0]=4 609 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [1,0,0,1,0,0|2,0,0]=4 610 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [1,0,0,1,0,0|2,0,0]=4 611 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [1,0,0,1,0,0|2,0,0]=4 612 B12R1.32 CCNC(=O)CC1CCOCC1 WXVL_AK00476SB0194 [1,0,0,1,0,0|2,0,0]=4 613 B12R1.32 CCNC(=O)CC1CCOCC1 WXVL_AK00476SB0194 [1,0,0,1,0,0|2,0,0]=4 614 B12R1.32 CCNC(=O)CN1CCCCC1 WXVL_AK00476SB0186 [1,0,0,1,0,0|2,0,0]=4 615 B12R1.32 CCNC(=O)CN1CCCCC1 WXVL_AK00476SB0186 [1,0,0,1,0,0|2,0,0]=4 616 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [1,0,0,1,0,0|2,0,0]=4 617 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [1,0,0,1,0,0|2,0,0]=4 618 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [1,0,0,1,0,0|1,0,0]=3 619 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [1,0,0,1,0,0|1,0,0]=3 620 B12R1.51 CCNC(=O)CCN1CCCC1 WXVL_AK00476SB0766 [1,0,0,1,0,0|2,0,0]=4 621 B12R1.51 CCNC(=O)CCN1CCCC1 WXVL_AK00476SB0766 [1,0,0,1,0,0|2,0,0]=4 622 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [1,0,0,1,0,0|2,0,0]=4 623 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [1,0,0,1,0,0|2,0,0]=4 624 B12R1.308 CCCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0073 [1,0,0,1,0,0|2,0,0]=4 625 B12R1.308 CCNC(=O)[C@H]1CCCCN1C WXVL_AK00476SB4055 [1,0,0,1,0,0|2,0,0]=4 626 B12R1.308 CCNC(=O)[C@H]1CCCCN1C WXVL_AK00476SB4055 [1,0,0,1,0,0|2,0,0]=4 627 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [1,0,0,1,0,0|2,0,0]=4 628 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [1,0,0,1,0,0|2,0,0]=4 629 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [1,0,0,1,0,0|2,0,0]=4 630 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [1,0,0,1,0,0|2,0,0]=4 631 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [1,0,0,1,0,0|1,0,0]=3 632 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [1,0,0,1,0,0|1,0,0]=3 633 B12R1.27 CCC(=O)NCC1CCCCO1 WXVL_AK1232SB0064 [1,0,0,1,0,0|2,0,0]=4 634 B12R1.27 CCC(=O)NCC1CCCCO1 WXVL_AK1232SB0064 [1,0,0,1,0,0|2,0,0]=4 635 B12R1.27 CCC(=O)NCC1CCCOC1 WXVL_AK00150SB0064 [1,0,0,1,0,0|2,0,0]=4 636 B12R1.27 CCC(=O)NCC1CCCOC1 WXVL_AK00150SB0064 [1,0,0,1,0,0|2,0,0]=4 637 B12R1.27 CCC(=O)NCC1CCOCC1 WXVL_AK0150SB0064 [1,0,0,1,0,0|2,0,0]=4 638 B12R1.27 CCC(=O)NCC1CCOCC1 WXVL_AK0150SB0064 [1,0,0,1,0,0|2,0,0]=4 639 B12R1.27 CCC(=O)NCC1CCSCC1 WXVL_AK00654SB0064 [1,0,0,1,0,0|2,0,0]=4 640 B12R1.27 CCC(=O)NCC1CCSCC1 WXVL_AK00654SB0064 [1,0,0,1,0,0|2,0,0]=4 641 B12R1.27 CNC(=O)CCC1CCCCC1 WXVL_AK00442SB0049 [1,0,0,1,0,0|1,0,0]=3 642 B12R1.27 CNC(=O)CCC1CCCCC1 WXVL_AK00442SB0049 [1,0,0,1,0,0|1,0,0]=3 643 B12R1.27 CNC(=O)CCN1CCCCC1 WXVL_AK00442SB0127 [1,0,0,1,0,0|2,0,0]=4 644 B12R1.27 CNC(=O)CCN1CCCCC1 WXVL_AK00442SB0127 [1,0,0,1,0,0|2,0,0]=4 645 B12R1.27 CNC(=O)COC1CCCCC1 WXVL_AK00442SB3400 [1,0,0,1,0,0|2,0,0]=4 646 B12R1.27 CNC(=O)COC1CCCCC1 WXVL_AK00442SB3400 [1,0,0,1,0,0|2,0,0]=4 647 B12R1.77 CCC(=O)N1CCCCC1CO WXVL_AN0018SB0064 [1,0,0,1,0,0|2,0,0]=4 648 B12R1.77 CCC(=O)N1CCCCC1CO WXVL_AN0018SB0064 [1,0,0,1,0,0|2,0,0]=4 649 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0064 [1,0,0,1,0,0|2,0,0]=4 650 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0064 [1,0,0,1,0,0|2,0,0]=4 651 B12R1.477 CCC(=O)NCCC1CCCC1 WXVL_AK00531SB0064 [1,0,0,1,0,0|1,0,0]=3 652 B12R1.477 CCC(=O)NCCC1CCCC1 WXVL_AK00531SB0064 [1,0,0,1,0,0|1,0,0]=3 653 B12R1.477 O=C(CO)NCCC1CCCC1 WXVL_AK00531SB2706 [1,0,0,1,0,0|2,0,0]=4 654 B12R1.477 O=C(CO)NCCC1CCCC1 WXVL_AK00531SB2706 [1,0,0,1,0,0|2,0,0]=4 655 B14R1.263 CCCC(=O)N1CCCCC1CCO WXVL_AN2918SB0073 [0,1,0,1,0,0|2,0,0]=4 656 B14R1.263 CCCC(=O)N1CCCCC1COC WXVL_AN0507SB0073 [0,1,0,1,0,0|2,0,0]=4 657 B14R1.263 CCCC(=O)N1CCCCC1COC WXVL_AN0507SB0073 [0,1,0,1,0,0|2,0,0]=4 658 B14R1.263 CCCC(=O)N1CCCC[C@@H]1CCO WXVL_AN00657SB0073 [0,1,0,1,0,0|2,0,0]=4 659 B14R1.520 C/C=C/C(=O)NCCC1CCCCC1 WXVL_AK1287SB0340 [0,1,0,1,0,0|1,0,1]=4 660 B14R1.520 C/C=C/C(=O)NCCC1CCCCC1 WXVL_AK1287SB0340 [0,1,0,1,0,0|1,0,1]=4 661 B14R1.520 CC#CC(=O)NCCC1CCCCC1 WXVL_AK1287SB1240 [0,1,0,1,0,0|1,0,1]=4 662 B14R1.520 CC#CC(=O)NCCC1CCCCC1 WXVL_AK1287SB1240 [0,1,0,1,0,0|1,0,1]=4 663 B14R1.520 CCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0073 [0,1,0,1,0,0|1,0,0]=3 664 B14R1.520 CCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0073 [0,1,0,1,0,0|1,0,0]=3 665 B14R1.520 CCCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0073 [0,1,0,1,0,0|2,0,0]=4 666 B14R1.520 CCCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0073 [0,1,0,1,0,0|2,0,0]=4 667 B14R1.520 CCCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0073 [0,1,0,1,0,0|2,0,0]=4 668 B14R1.520 CCCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0073 [0,1,0,1,0,0|2,0,0]=4 669 B14R1.520 COCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0090 [0,1,0,1,0,0|2,0,0]=4 670 B14R1.520 COCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0090 [0,1,0,1,0,0|2,0,0]=4 671 B14R1.520 CSCC(=O)NCCC1CCCCC1 WXVL_AK1287SB1267 [0,1,0,1,0,0|2,0,0]=4 672 B14R1.520 CSCC(=O)NCCC1CCCCC1 WXVL_AK1287SB1267 [0,1,0,1,0,0|2,0,0]=4 673 B14R1.609 CCCC(=O)NCCCN1CCCC1 WXVL_AK0085SB0073 [0,1,0,1,0,0|2,0,0]=4 674 B14R1.609 CCCC(=O)NCCCN1CCCC1 WXVL_AK0085SB0073 [0,1,0,1,0,0|2,0,0]=4 675 B14R1.609 CCCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0073 [0,1,0,1,0,0|2,0,0]=4 676 B14R1.609 CCCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0073 [0,1,0,1,0,0|2,0,0]=4 677 B14R1.609 CCNC(=O)CCCCC1CCSS1 WXVL_AK00476SB1230 [0,1,0,1,0,0|2,0,0]=4 678 B14R1.609 CCNC(=O)CCCCC1CCSS1 WXVL_AK00476SB1230 [0,1,0,1,0,0|2,0,0]=4 679 B14R1.635 C/C=C/C(=O)N1CCCC1CCCC WXVL_AN00739SB0340 [0,1,0,1,0,0|1,0,1]=4 680 B14R1.635 CC#CC(=O)N1CCCC1CCCC WXVL_AN00739SB1240 [0,1,0,1,0,0|1,0,1]=4 681 B14R1.635 CCCCC1CCCN1C(=O)CCC WXVL_AN00739SB0073 [0,1,0,1,0,0|1,0,0]=3 682 B14R1.635 CCCCC1CCCN1C(=O)COC WXVL_AN00739SB0090 [0,1,0,1,0,0|2,0,0]=4 683 B14R1.635 CCCCC1CCCN1C(=O)CSC WXVL_AN00739SB1267 [0,1,0,1,0,0|2,0,0]=4 684 B14R1.948 CCCC(=O)NCCC1CCCN1C WXVL_AK2343SB0073 [0,1,0,1,0,0|2,0,0]=4 685 B14R1.948 CCCC(=O)NCCC1CCCN1C WXVL_AK2343SB0073 [0,1,0,1,0,0|2,0,0]=4 686 B14R1.6816 CCCCCCCCNC(=O)C1CC1 WXVL_AK1818SB0038 [0,1,0,1,0,0|1,0,0]=3 687 B14R1.6816 CCCCCCCCNC(=O)C1CC1 WXVL_AK1818SB0038 [0,1,0,1,0,0|1,0,0]=3 688 B14R1.6816 CCCCOCCCNC(=O)C1CC1 WXVL_AK2310SB0038 [0,1,0,1,0,0|2,0,0]=4 689 B14R1.6816 CCCCOCCCNC(=O)C1CC1 WXVL_AK2310SB0038 [0,1,0,1,0,0|2,0,0]=4 690 B14R1.156 C=CCNC(=O)CCC1CCCCC1 WXVL_AK00561SB0049 [0,1,0,1,0,0|1,0,1]=4 691 B14R1.156 C=CCNC(=O)CCC1CCCCC1 WXVL_AK00561SB0049 [0,1,0,1,0,0|1,0,1]=4 692 B14R1.156 CCCNC(=O)CCC1CCCCC1 WXVL_AK00504SB0049 [0,1,0,1,0,0|1,0,0]=3 693 B14R1.156 CCCNC(=O)CCC1CCCCC1 WXVL_AK00504SB0049 [0,1,0,1,0,0|1,0,0]=3 694 B14R1.156 CCCNC(=O)CCN1CCCCC1 WXVL_AK00504SB0127 [0,1,0,1,0,0|2,0,0]=4 695 B14R1.156 CCCNC(=O)CCN1CCCCC1 WXVL_AK00504SB0127 [0,1,0,1,0,0|2,0,0]=4 696 B14R1.156 CCCNC(=O)COC1CCCCC1 WXVL_AK00504SB3400 [0,1,0,1,0,0|2,0,0]=4 697 B14R1.156 CCCNC(=O)COC1CCCCC1 WXVL_AK00504SB3400 [0,1,0,1,0,0|2,0,0]=4 698 B14R1.156 CCOCC(=O)NCC1CCCCO1 WXVL_AK1232SB0091 [0,1,0,1,0,0|2,0,0]=4 699 B14R1.156 CCOCC(=O)NCC1CCCCO1 WXVL_AK1232SB0091 [0,1,0,1,0,0|2,0,0]=4 700 B14R1.156 CCOCC(=O)NCC1CCCOC1 WXVL_AK00150SB0091 [0,1,0,1,0,0|2,0,0]=4 701 B14R1.156 CCOCC(=O)NCC1CCCOC1 WXVL_AK00150SB0091 [0,1,0,1,0,0|2,0,0]=4 702 B14R1.156 CCOCC(=O)NCC1CCOCC1 WXVL_AK0150SB0091 [0,1,0,1,0,0|2,0,0]=4 703 B14R1.156 CCOCC(=O)NCC1CCOCC1 WXVL_AK0150SB0091 [0,1,0,1,0,0|2,0,0]=4 704 B14R1.156 CCOCC(=O)NCC1CCSCC1 WXVL_AK00654SB0091 [0,1,0,1,0,0|2,0,0]=4 705 B14R1.156 CCOCC(=O)NCC1CCSCC1 WXVL_AK00654SB0091 [0,1,0,1,0,0|2,0,0]=4 706 B14R1.156 N#CCNC(=O)CCC1CCCCC1 WXVL_AK0683SB0049 [0,1,0,1,0,0|1,0,1]=4 707 B14R1.156 N#CCNC(=O)CCC1CCCCC1 WXVL_AK0683SB0049 [0,1,0,1,0,0|1,0,1]=4 708 B14R1.156 O=C(CCC1CCCCC1)NCCF WXVL_AK00466SB0049 [0,1,0,1,0,0|1,0,0]=3 709 B14R1.156 O=C(CCC1CCCCC1)NCCF WXVL_AK00466SB0049 [0,1,0,1,0,0|1,0,0]=3 710 B14R1.156 O=C(CCN1CCCCC1)NCCF WXVL_AK00466SB0127 [0,1,0,1,0,0|2,0,0]=4 711 B14R1.156 O=C(CCN1CCCCC1)NCCF WXVL_AK00466SB0127 [0,1,0,1,0,0|2,0,0]=4 712 B14R1.156 O=C(COC1CCCCC1)NCCF WXVL_AK00466SB3400 [0,1,0,1,0,0|2,0,0]=4 713 B14R1.156 O=C(COC1CCCCC1)NCCF WXVL_AK00466SB3400 [0,1,0,1,0,0|2,0,0]=4 714 B14R1.177 CCOCC(=O)NCCC1CCCC1 WXVL_AK00531SB0091 [0,1,0,1,0,0|1,0,0]=3 715 B14R1.177 CCOCC(=O)NCCC1CCCC1 WXVL_AK00531SB0091 [0,1,0,1,0,0|1,0,0]=3 716 B14R1.177 CCSCC(=O)NCCC1CCCC1 WXVL_AK00531SB0002 [0,1,0,1,0,0|1,1,0]=4 717 B14R1.177 CCSCC(=O)NCCC1CCCC1 WXVL_AK00531SB0002 [0,1,0,1,0,0|1,1,0]=4 718 B14R1.177 COCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0156 [0,1,0,1,0,0|2,0,0]=4 719 B14R1.177 COCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0156 [0,1,0,1,0,0|2,0,0]=4 720 B14R1.177 CSCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0361 [0,1,0,1,0,0|2,0,0]=4 721 B14R1.177 CSCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0361 [0,1,0,1,0,0|2,0,0]=4 722 B14R1.177 O=C(NCCCl)NCCC1CCCC1 WXVL_AK00531YV0092 [0,1,0,1,0,0|2,0,0]=4 723 B14R1.177 O=C(NCCCl)NCCC1CCCC1 WXVL_AK00531YV0092 [0,1,0,1,0,0|2,0,0]=4 724 B14R1.916 CCOCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0091 [0,1,0,1,0,0|2,0,0]=4 725 B14R1.916 CCOCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0091 [0,1,0,1,0,0|2,0,0]=4 726 B14R1.939 CCOCC(=O)N1CCCCC1CO WXVL_AN0018SB0091 [0,1,0,1,0,0|2,0,0]=4 727 B14R1.939 CCOCC(=O)N1CCCCC1CO WXVL_AN0018SB0091 [0,1,0,1,0,0|2,0,0]=4 728 B14R1.3770 CCCCCCCCC(=O)NC1CC1 WXVL_AK0001SB0409 [0,1,0,1,0,0|1,0,0]=3 729 B14R1.3770 CCCCCCCCC(=O)NC1CC1 WXVL_AK0001SB0409 [0,1,0,1,0,0|1,0,0]=3 730 B14R1.3770 O=C(CCCCCCCBr)NC1CC1 WXVL_AK0001SB0559 [0,1,0,1,0,0|2,0,0]=4 731 B14R1.3770 O=C(CCCCCCCBr)NC1CC1 WXVL_AK0001SB0559 [0,1,0,1,0,0|2,0,0]=4 732 B14R1.3770 O=C(CCCCCCCO)NC1CC1 WXVL_AK0001SB1306 [0,1,0,1,0,0|2,0,0]=4 733 B14R1.3770 O=C(CCCCCCCO)NC1CC1 WXVL_AK0001SB1306 [0,1,0,1,0,0|2,0,0]=4 734 B14R1.502 CCCC(=O)NC[C@H]1CC[C@@H](CC1)O WXVL_AK5708SB0073 [0,1,0,1,0,0|2,0,0]=4 735 B14R1.502 CCCC(=O)NC[C@H]1CC[C@@H](CC1)O WXVL_AK5708SB0073 [0,1,0,1,0,0|2,0,0]=4 736 B14R1.631 CCOC(=O)[C@@H]1CCCN1C(=O)CC WXVL_AN3552SB0064 [0,1,0,1,0,0|1,0,1]=4 737 B14R1.631 CCOC(=O)[C@@H]1CCCN1C(=O)CC WXVL_AN3552SB0064 [0,1,0,1,0,0|1,0,1]=4 738 B14R1.623 CCOC(=O)[C@@H]1CCCCN1C(=O)C WXVL_AN3118SB0150 [0,1,0,1,0,0|1,0,1]=4 739 B14R1.7174 CCOC(=O)CCNC(=O)C1CCC1 WXVL_AK0465SB0042 [0,1,0,1,0,0|1,0,1]=4 740 B14R1.7174 CCOC(=O)CCNC(=O)C1CCC1 WXVL_AK0465SB0042 [0,1,0,1,0,0|1,0,1]=4 741 B14R1.7176 CCOC(=O)CCNC(=O)CC1CC1 WXVL_AK0465SB0155 [0,1,0,1,0,0|1,0,1]=4 742 B14R1.7176 CCOC(=O)CCNC(=O)CC1CC1 WXVL_AK0465SB0155 [0,1,0,1,0,0|1,0,1]=4 743 B14R1.19202 CCOC(=O)CCNC(=O)C1CC1C WXVL_AK0465SB0041 [0,1,0,1,0,0|1,0,1]=4 744 B14R1.19202 CCOC(=O)CCNC(=O)C1CC1C WXVL_AK0465SB0041 [0,1,0,1,0,0|1,0,1]=4 745 B14R1.18883 CCCC(=O)NCC1(CCCCC1)O WXVL_AK00611SB0073 [0,1,0,1,0,0|2,0,0]=4 746 B14R1.18883 CCCC(=O)NCC1(CCCCC1)O WXVL_AK00611SB0073 [0,1,0,1,0,0|2,0,0]=4 747 B14R1.60 CCOC(=O)C(=O)NC1CCCCC1 WXVL_AK00480SB4144 [0,1,0,1,0,0|1,0,1]=4 748 B14R1.60 CCOC(=O)C(=O)NC1CCCCC1 WXVL_AK00480SB4144 [0,1,0,1,0,0|1,0,1]=4 749 B14R1.633 CCOC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB4144 [0,1,0,1,0,0|1,0,1]=4 750 B14R1.633 CCOC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB4144 [0,1,0,1,0,0|1,0,1]=4 751 B14R1.3348 CCOC(=O)C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB4144 [0,1,0,1,0,0|1,0,1]=4 752 B14R1.7353 CCOC(=O)C(=O)NCCC1CCC1 WXVL_AK2418SB4144 [0,1,0,1,0,0|1,0,1]=4 753 B14R1.7353 CCOC(=O)C(=O)NCCC1CCC1 WXVL_AK2418SB4144 [0,1,0,1,0,0|1,0,1]=4 754 B14R1.3242 CCOC(=O)CC(=O)N1CCC[C@H]1C WXVL_AN00593SB3094 [0,1,0,1,0,0|1,0,1]=4 755 B14R1.7237 CCOC(=O)CC(=O)NCC1CCC1 WXVL_AK00492SB3094 [0,1,0,1,0,0|1,0,1]=4 756 B14R1.7237 CCOC(=O)CC(=O)NCC1CCC1 WXVL_AK00492SB3094 [0,1,0,1,0,0|1,0,1]=4 757 B14R1.7238 CCOC(=O)CC(=O)NCCC1CC1 WXVL_AK00594SB3094 [0,1,0,1,0,0|1,0,1]=4 758 B14R1.7238 CCOC(=O)CC(=O)NCCC1CC1 WXVL_AK00594SB3094 [0,1,0,1,0,0|1,0,1]=4 759 B14R1.818 CC(C)NC(=O)CCC1CCCCC1 WXVL_AK0030SB0049 [0,1,0,1,0,0|1,0,0]=3 760 B14R1.818 CC(C)NC(=O)CCC1CCCCC1 WXVL_AK0030SB0049 [0,1,0,1,0,0|1,0,0]=3 761 B14R1.818 CC(C)NC(=O)CCN1CCCCC1 WXVL_AK0030SB0127 [0,1,0,1,0,0|2,0,0]=4 762 B14R1.818 CC(C)NC(=O)CCN1CCCCC1 WXVL_AK0030SB0127 [0,1,0,1,0,0|2,0,0]=4 763 B14R1.818 CC(C)NC(=O)COC1CCCCC1 WXVL_AK0030SB3400 [0,1,0,1,0,0|2,0,0]=4 764 B14R1.818 CC(C)NC(=O)COC1CCCCC1 WXVL_AK0030SB3400 [0,1,0,1,0,0|2,0,0]=4 765 B14R1.6454 CC(C)CC(=O)NCCC1CCCC1 WXVL_AK00531SB0063 [0,1,0,1,0,0|2,0,0]=4 766 B14R1.6454 CC(C)CC(=O)NCCC1CCCC1 WXVL_AK00531SB0063 [0,1,0,1,0,0|2,0,0]=4 767 B14R1.6454 CC(O)CC(=O)NCCC1CCCC1 WXVL_AK00531SB3643 [0,1,0,1,0,0|2,0,0]=4 768 B14R1.6454 CC(O)CC(=O)NCCC1CCCC1 WXVL_AK00531SB3643 [0,1,0,1,0,0|2,0,0]=4 769 B14R1.986 CCC(=O)C(=O)NCCC1CCCC1 WXVL_AK00531SB0344 [0,1,0,1,0,0|2,0,0]=4 770 B14R1.986 CCC(=O)C(=O)NCCC1CCCC1 WXVL_AK00531SB0344 [0,1,0,1,0,0|2,0,0]=4 771 B14R1.986 CCC(C)C(=O)NCCC1CCCC1 WXVL_AK00531SB0054 [0,1,0,1,0,0|2,0,0]=4 772 B14R1.986 CCC(C)C(=O)NCCC1CCCC1 WXVL_AK00531SB0054 [0,1,0,1,0,0|2,0,0]=4 773 B14R1.986 CC[C@@H](C)C(=O)NCCC1CCCC1 WXVL_AK00531SB00054 [0,1,0,1,0,0|2,0,0]=4 774 B14R1.986 CC[C@@H](C)C(=O)NCCC1CCCC1 WXVL_AK00531SB00054 [0,1,0,1,0,0|2,0,0]=4 775 B14R1.986 CC[C@H](O)C(=O)NCCC1CCCC1 WXVL_AK00531SB3573 [0,1,0,1,0,0|2,0,0]=4 776 B14R1.986 CC[C@H](O)C(=O)NCCC1CCCC1 WXVL_AK00531SB3573 [0,1,0,1,0,0|2,0,0]=4 777 B14R2.9964 CCCC(=O)N1CC2CCC1CC2 WXVL_AN3285SB0073 [0,0,0,2,0,0|2,0,0]=4 778 B14R2.9964 CCCC(=O)N1CC2CCC1CC2 WXVL_AN3285SB0073 [0,0,0,2,0,0|2,0,0]=4 779 B14R2.2711 CCNC(=O)CC1C[C@@H]2CC[C@H]1C2 WXVL_AK00476SB0403 [0,0,0,2,0,0|1,0,0]=3 780 B14R2.2711 CCNC(=O)CC1C[C@@H]2CC[C@H]1C2 WXVL_AK00476SB0403 [0,0,0,2,0,0|1,0,0]=3 781 B14R2.31850 O=C(NCCC1CCCC1)C2CC2 WXVL_AK00531SB0038 [0,0,0,2,0,0|2,0,0]=4 782 B14R2.31850 O=C(NCCC1CCCC1)C2CC2 WXVL_AK00531SB0038 [0,0,0,2,0,0|2,0,0]=4 783 B14R2.839 CCCC(=O)N1CC2CCCC2C1 WXVL_AN0179SB0073 [0,0,0,2,0,0|2,0,0]=4 784 B14R2.839 CCCC(=O)N1CC2CCCC2C1 WXVL_AN0179SB0073 [0,0,0,2,0,0|2,0,0]=4