0 B17R0.43 CCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2751 [0,1,0,0,0,0|0,0,2]=3 1 B17R0.43 CCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2751 [0,1,0,0,0,0|0,0,2]=3 2 B17R0.43 CCCCCCCCCCCCCCNC(=O)C WXVL_AK2576SB0150 [0,1,0,0,0,0|1,0,2]=4 3 B17R0.43 CCCCCCCCCCCCCCNC(=O)C WXVL_AK2576SB0150 [0,1,0,0,0,0|1,0,2]=4 4 B17R0.104 CCCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB0409 [0,1,0,0,0,0|1,0,1]=3 5 B17R0.104 CCCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB0409 [0,1,0,0,0,0|1,0,1]=3 6 B17R0.104 CCCCOCCNC(=O)CCCCCCCO WXVL_AK9674SB1306 [0,1,0,0,0,0|2,0,1]=4 7 B17R0.104 CCCCOCCNC(=O)CCCCCCCO WXVL_AK9674SB1306 [0,1,0,0,0,0|2,0,1]=4 8 B17R0.104 O=C(CCCCCCCBr)NCCCCCCO WXVL_AK0751SB0559 [0,1,0,0,0,0|2,0,1]=4 9 B17R0.104 O=C(CCCCCCCBr)NCCCCCCO WXVL_AK0751SB0559 [0,1,0,0,0,0|2,0,1]=4 10 B17R0.104 O=C(CCCCCCCO)NCCCCCCO WXVL_AK0751SB1306 [0,1,0,0,0,0|2,0,1]=4 11 B17R0.104 O=C(CCCCCCCO)NCCCCCCO WXVL_AK0751SB1306 [0,1,0,0,0,0|2,0,1]=4 12 B17R0.195 CCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0064 [0,1,0,0,0,0|1,0,1]=3 13 B17R0.195 CCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0064 [0,1,0,0,0,0|1,0,1]=3 14 B17R0.195 CCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0577 [0,1,0,0,0,0|2,0,1]=4 15 B17R0.195 CCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0577 [0,1,0,0,0,0|2,0,1]=4 16 B17R0.195 CCCCCCCCCCCCCNC(=O)CC WXVL_AK4135SB0064 [0,1,0,0,0,0|2,0,1]=4 17 B17R0.195 CCCCCCCCCCCCCNC(=O)CC WXVL_AK4135SB0064 [0,1,0,0,0,0|2,0,1]=4 18 B17R0.195 CCCCCCCCCCCCCNC(=O)CO WXVL_AK4135SB2706 [0,1,0,0,0,0|1,0,1]=3 19 B17R0.195 CCCCCCCCCCCCCNC(=O)CO WXVL_AK4135SB2706 [0,1,0,0,0,0|1,0,1]=3 20 B17R0.195 O=C(CO)NCCCCCCCCCCCCO WXVL_AK3055SB2706 [0,1,0,0,0,0|2,0,1]=4 21 B17R0.195 O=C(CO)NCCCCCCCCCCCCO WXVL_AK3055SB2706 [0,1,0,0,0,0|2,0,1]=4 22 B17R0.196 CCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0547 [0,1,0,0,0,0|2,0,1]=4 23 B17R0.196 CCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0547 [0,1,0,0,0,0|2,0,1]=4 24 B17R0.196 CCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0547 [0,1,0,0,0,0|2,0,1]=4 25 B17R0.196 CCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0547 [0,1,0,0,0,0|2,0,1]=4 26 B17R0.196 CCCNC(=O)CCCCCCCCCCCBr WXVL_AK00504SB0603 [0,1,0,0,0,0|2,0,1]=4 27 B17R0.196 CCCNC(=O)CCCCCCCCCCCBr WXVL_AK00504SB0603 [0,1,0,0,0,0|2,0,1]=4 28 B17R0.196 CCOCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0091 [0,1,0,0,0,0|2,0,1]=4 29 B17R0.196 CCOCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0091 [0,1,0,0,0,0|2,0,1]=4 30 B17R0.196 CCSCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0002 [0,1,0,0,0,0|2,0,1]=4 31 B17R0.196 CCSCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0002 [0,1,0,0,0,0|2,0,1]=4 32 B17R0.196 COCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0156 [0,1,0,0,0,0|2,0,1]=4 33 B17R0.196 COCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0156 [0,1,0,0,0,0|2,0,1]=4 34 B17R0.196 CSCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0361 [0,1,0,0,0,0|2,0,1]=4 35 B17R0.196 CSCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0361 [0,1,0,0,0,0|2,0,1]=4 36 B17R0.250 CCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0562 [0,1,0,0,0,0|2,0,1]=4 37 B17R0.250 CCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0562 [0,1,0,0,0,0|2,0,1]=4 38 B17R0.250 CCCCCCCCCCCCNC(=O)CCC WXVL_AK1886SB0073 [0,1,0,0,0,0|2,0,1]=4 39 B17R0.250 CCCCCCCCCCCCNC(=O)CCC WXVL_AK1886SB0073 [0,1,0,0,0,0|2,0,1]=4 40 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB2796 [0,1,0,0,0,0|2,0,1]=4 41 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB2796 [0,1,0,0,0,0|2,0,1]=4 42 B17R0.3110 CCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB2796 [0,1,0,0,0,0|1,0,1]=3 43 B17R0.3110 CCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB2796 [0,1,0,0,0,0|1,0,1]=3 44 B17R0.3110 CCCCCCCCCCNC(=O)CCCCBr WXVL_AK1845SB3153 [0,1,0,0,0,0|2,0,1]=4 45 B17R0.3110 CCCCCCCCCCNC(=O)CCCCBr WXVL_AK1845SB3153 [0,1,0,0,0,0|2,0,1]=4 46 B17R0.3110 CCCCCCCCCCNC(=O)CCCCCl WXVL_AK1845SB0379 [0,1,0,0,0,0|2,0,1]=4 47 B17R0.3110 CCCCCCCCCCNC(=O)CCCCCl WXVL_AK1845SB0379 [0,1,0,0,0,0|2,0,1]=4 48 B17R0.8809 CCCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB0447 [0,1,0,0,0,0|2,0,1]=4 49 B17R0.8809 CCCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB0447 [0,1,0,0,0,0|2,0,1]=4 50 B17R0.8809 CCCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB0447 [0,1,0,0,0,0|1,0,1]=3 51 B17R0.8809 CCCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB0447 [0,1,0,0,0,0|1,0,1]=3 52 B17R0.8809 CCCCCCCCCC(=O)NCCNCCO WXVL_AK0954SB0447 [0,1,0,0,0,0|2,0,1]=4 53 B17R0.8809 CCCCCCCCCC(=O)NCCNCCO WXVL_AK0954SB0447 [0,1,0,0,0,0|2,0,1]=4 54 B17R0.8809 CCCCCCCCNC(=O)CCCCCCBr WXVL_AK1818SB1386 [0,1,0,0,0,0|2,0,1]=4 55 B17R0.8809 CCCCCCCCNC(=O)CCCCCCBr WXVL_AK1818SB1386 [0,1,0,0,0,0|2,0,1]=4 56 B17R0.8809 CCCCCCCCNC(=O)CCCCCCC WXVL_AK1818SB0393 [0,1,0,0,0,0|2,0,1]=4 57 B17R0.8809 CCCCCCCCNC(=O)CCCCCCC WXVL_AK1818SB0393 [0,1,0,0,0,0|2,0,1]=4 58 B17R0.8809 CCCCCCCCNC(=O)NCCCCCO WXVL_AK0077YV0182 [0,1,0,0,0,0|2,0,1]=4 59 B17R0.8809 CCCCCCCCNC(=O)NCCCCCO WXVL_AK0077YV0182 [0,1,0,0,0,0|2,0,1]=4 60 B17R0.12412 CCCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB0490 [0,1,0,0,0,0|2,0,1]=4 61 B17R0.12412 CCCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB0490 [0,1,0,0,0,0|2,0,1]=4 62 B17R0.12412 CCCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB0490 [0,1,0,0,0,0|1,0,1]=3 63 B17R0.12412 CCCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB0490 [0,1,0,0,0,0|1,0,1]=3 64 B17R0.12412 CCCCCCCCCNC(=O)CCCCCBr WXVL_AK1826SB2192 [0,1,0,0,0,0|2,0,1]=4 65 B17R0.12412 CCCCCCCCCNC(=O)CCCCCBr WXVL_AK1826SB2192 [0,1,0,0,0,0|2,0,1]=4 66 B17R0.12412 CCCCCCCCCNC(=O)CCCCCO WXVL_AK1826SB2973 [0,1,0,0,0,0|1,0,1]=3 67 B17R0.12412 CCCCCCCCCNC(=O)CCCCCO WXVL_AK1826SB2973 [0,1,0,0,0,0|1,0,1]=3 68 B17R0.12412 O=C(CCCCCBr)NCCCCCCCCO WXVL_AK4142SB2192 [0,1,0,0,0,0|2,0,1]=4 69 B17R0.12412 O=C(CCCCCBr)NCCCCCCCCO WXVL_AK4142SB2192 [0,1,0,0,0,0|2,0,1]=4 70 B17R0.12412 O=C(CCCCCO)NCCCCCCCCO WXVL_AK4142SB2973 [0,1,0,0,0,0|2,0,1]=4 71 B17R0.12412 O=C(CCCCCO)NCCCCCCCCO WXVL_AK4142SB2973 [0,1,0,0,0,0|2,0,1]=4 72 B16R0.61 CCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0073 [1,1,0,0,0,0|1,0,1]=4 73 B16R0.61 CCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0073 [1,1,0,0,0,0|1,0,1]=4 74 B16R0.61 CCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0547 [1,1,0,0,0,0|1,0,1]=4 75 B16R0.61 CCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0547 [1,1,0,0,0,0|1,0,1]=4 76 B16R0.68 CCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0490 [1,1,0,0,0,0|1,0,1]=4 77 B16R0.68 CCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0490 [1,1,0,0,0,0|1,0,1]=4 78 B16R0.68 CCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0490 [1,1,0,0,0,0|1,0,1]=4 79 B16R0.68 CCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0490 [1,1,0,0,0,0|1,0,1]=4 80 B16R0.136 CCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB0393 [1,1,0,0,0,0|1,0,1]=4 81 B16R0.136 CCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB0393 [1,1,0,0,0,0|1,0,1]=4 82 B16R0.136 CCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB0409 [1,1,0,0,0,0|1,0,1]=4 83 B16R0.136 CCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB0409 [1,1,0,0,0,0|1,0,1]=4 84 B16R0.136 CCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB0409 [1,1,0,0,0,0|1,0,1]=4 85 B16R0.136 CCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB0409 [1,1,0,0,0,0|1,0,1]=4 86 B16R0.136 CCCCCCNC(=O)CCCCCCCO WXVL_AK0286SB1306 [1,1,0,0,0,0|1,0,1]=4 87 B16R0.136 CCCCCCNC(=O)CCCCCCCO WXVL_AK0286SB1306 [1,1,0,0,0,0|1,0,1]=4 88 B16R0.221 CCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0562 [1,1,0,0,0,0|1,0,1]=4 89 B16R0.221 CCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0562 [1,1,0,0,0,0|1,0,1]=4 90 B16R0.221 CCCCCCCCCCCCNC(=O)CC WXVL_AK1886SB0064 [1,1,0,0,0,0|1,0,1]=4 91 B16R0.221 CCCCCCCCCCCCNC(=O)CC WXVL_AK1886SB0064 [1,1,0,0,0,0|1,0,1]=4 92 B16R0.221 CCCCCCCCCCCCNC(=O)CO WXVL_AK1886SB2706 [1,1,0,0,0,0|1,0,1]=4 93 B16R0.221 CCCCCCCCCCCCNC(=O)CO WXVL_AK1886SB2706 [1,1,0,0,0,0|1,0,1]=4 94 B16R0.274 CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0150 [1,1,0,0,0,0|1,0,1]=4 95 B16R0.274 CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0150 [1,1,0,0,0,0|1,0,1]=4 96 B16R0.274 CCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0577 [1,1,0,0,0,0|0,0,2]=4 97 B16R0.274 CCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0577 [1,1,0,0,0,0|0,0,2]=4 98 B16R0.274 CCCCCCCCCCCCCNC(=O)C WXVL_AK4135SB0150 [1,1,0,0,0,0|1,0,1]=4 99 B16R0.274 CCCCCCCCCCCCCNC(=O)C WXVL_AK4135SB0150 [1,1,0,0,0,0|1,0,1]=4 100 B16R0.661 CCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2796 [1,1,0,0,0,0|1,0,1]=4 101 B16R0.661 CCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2796 [1,1,0,0,0,0|1,0,1]=4 102 B16R0.6603 CCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB0447 [1,1,0,0,0,0|1,0,1]=4 103 B16R0.6603 CCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB0447 [1,1,0,0,0,0|1,0,1]=4 104 B16R0.6603 CCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB0447 [1,1,0,0,0,0|1,0,1]=4 105 B16R0.6603 CCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB0447 [1,1,0,0,0,0|1,0,1]=4 106 B16R0.6603 CCCCCCCCNC(=O)CCCCCO WXVL_AK1818SB2973 [1,1,0,0,0,0|1,0,1]=4 107 B16R0.6603 CCCCCCCCNC(=O)CCCCCO WXVL_AK1818SB2973 [1,1,0,0,0,0|1,0,1]=4 108 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2751 [0,2,0,0,0,0|0,0,2]=4 109 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2751 [0,2,0,0,0,0|0,0,2]=4 110 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC WXVL_AK2576SB0064 [0,2,0,0,0,0|1,0,1]=4 111 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC WXVL_AK2576SB0064 [0,2,0,0,0,0|1,0,1]=4 112 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO WXVL_AK2576SB2706 [0,2,0,0,0,0|0,0,1]=3 113 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO WXVL_AK2576SB2706 [0,2,0,0,0,0|0,0,1]=3 114 B18R0.174 CC(C)C(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0052 [0,2,0,0,0,0|1,0,1]=4 115 B18R0.174 CC(C)C(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0052 [0,2,0,0,0,0|1,0,1]=4 116 B18R0.174 CC(S)C(=O)NCCCCCCCCCCCCO WXVL_AK3055SB2708 [0,2,0,0,0,0|1,0,1]=4 117 B18R0.174 CC(S)C(=O)NCCCCCCCCCCCCO WXVL_AK3055SB2708 [0,2,0,0,0,0|1,0,1]=4 118 B18R0.174 CCCCCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK4135SB1085 [0,2,0,0,0,0|1,0,1]=4 119 B18R0.174 CCCCCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK4135SB1085 [0,2,0,0,0,0|1,0,1]=4 120 B18R0.174 C[C@@H](O)C(=O)NCCCCCCCCCCCCO WXVL_AK3055SB1085 [0,2,0,0,0,0|1,0,1]=4 121 B18R0.174 C[C@@H](O)C(=O)NCCCCCCCCCCCCO WXVL_AK3055SB1085 [0,2,0,0,0,0|1,0,1]=4 122 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2735 [0,2,0,0,0,0|0,0,1]=3 123 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2735 [0,2,0,0,0,0|0,0,1]=3 124 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C WXVL_AK1866SB0150 [0,2,0,0,0,0|0,0,2]=4 125 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C WXVL_AK1866SB0150 [0,2,0,0,0,0|0,0,2]=4 126 B18R0.220 CCCCCCCCCCCCNC(=O)CC(C)O WXVL_AK1886SB3643 [0,2,0,0,0,0|1,0,1]=4 127 B18R0.220 CCCCCCCCCCCCNC(=O)CC(C)O WXVL_AK1886SB3643 [0,2,0,0,0,0|1,0,1]=4 128 B18R0.19183 CC(C)CCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0354 [0,2,0,0,0,0|1,0,1]=4 129 B18R0.19183 CC(C)CCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0354 [0,2,0,0,0,0|1,0,1]=4 130 B18R0.19183 CCCCCCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB0547 [0,2,0,0,0,0|1,0,1]=4 131 B18R0.19183 CCCCCCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB0547 [0,2,0,0,0,0|1,0,1]=4 132 B18R0.19183 CCCCCCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB0547 [0,2,0,0,0,0|1,0,1]=4 133 B18R0.19183 CCCCCCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB0547 [0,2,0,0,0,0|1,0,1]=4 134 B18R0.11621 CCCCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB0447 [0,2,0,0,0,0|0,0,1]=3 135 B18R0.11621 CCCCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB0447 [0,2,0,0,0,0|0,0,1]=3 136 B18R0.11621 CCCCCCCCNC(=O)CCCCCCCBr WXVL_AK1818SB0559 [0,2,0,0,0,0|1,0,1]=4 137 B18R0.11621 CCCCCCCCNC(=O)CCCCCCCBr WXVL_AK1818SB0559 [0,2,0,0,0,0|1,0,1]=4 138 B18R0.11621 CCCCCCCCNC(=O)CCCCCCCC WXVL_AK1818SB0409 [0,2,0,0,0,0|1,0,1]=4 139 B18R0.11621 CCCCCCCCNC(=O)CCCCCCCC WXVL_AK1818SB0409 [0,2,0,0,0,0|1,0,1]=4 140 B18R0.11621 CCCCCCCCNC(=O)CCCCCCCO WXVL_AK1818SB1306 [0,2,0,0,0,0|0,0,1]=3 141 B18R0.11621 CCCCCCCCNC(=O)CCCCCCCO WXVL_AK1818SB1306 [0,2,0,0,0,0|0,0,1]=3 142 B18R0.11621 CCCCCCCCNC(=O)NCCCCCCO WXVL_AK0751YV0182 [0,2,0,0,0,0|1,0,1]=4 143 B18R0.11621 CCCCCCCCNC(=O)NCCCCCCO WXVL_AK0751YV0182 [0,2,0,0,0,0|1,0,1]=4 144 B18R0.11621 CCCCOCCCNC(=O)CCCCCCCO WXVL_AK2310SB1306 [0,2,0,0,0,0|1,0,1]=4 145 B18R0.11621 CCCCOCCCNC(=O)CCCCCCCO WXVL_AK2310SB1306 [0,2,0,0,0,0|1,0,1]=4 146 B18R0.20608 CCCCCCCCS(=O)(=O)NCCCCCCO WXVL_AK0751HU0331 [0,2,0,0,0,0|2,0,0]=4 147 B18R0.20608 CCCCCCCCS(=O)(=O)NCCCCCCO WXVL_AK0751HU0331 [0,2,0,0,0,0|2,0,0]=4 148 B18R0.110 CCCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0073 [0,2,0,0,0,0|0,0,1]=3 149 B18R0.110 CCCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0073 [0,2,0,0,0,0|0,0,1]=3 150 B18R0.110 CCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0577 [0,2,0,0,0,0|1,0,1]=4 151 B18R0.110 CCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0577 [0,2,0,0,0,0|1,0,1]=4 152 B18R0.110 CCCCCCCCCCCCCNC(=O)CCC WXVL_AK4135SB0073 [0,2,0,0,0,0|1,0,1]=4 153 B18R0.110 CCCCCCCCCCCCCNC(=O)CCC WXVL_AK4135SB0073 [0,2,0,0,0,0|1,0,1]=4 154 B18R0.110 CCCCCCCCCCCCCNC(=O)COC WXVL_AK4135SB0090 [0,2,0,0,0,0|1,0,1]=4 155 B18R0.110 CCCCCCCCCCCCCNC(=O)COC WXVL_AK4135SB0090 [0,2,0,0,0,0|1,0,1]=4 156 B18R0.110 COCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0090 [0,2,0,0,0,0|1,0,1]=4 157 B18R0.110 COCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0090 [0,2,0,0,0,0|1,0,1]=4 158 B18R0.110 CSCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB1267 [0,2,0,0,0,0|1,0,1]=4 159 B18R0.110 CSCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB1267 [0,2,0,0,0,0|1,0,1]=4 160 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0562 [0,2,0,0,0,0|1,0,1]=4 161 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0562 [0,2,0,0,0,0|1,0,1]=4 162 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0562 [0,2,0,0,0,0|1,0,1]=4 163 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0562 [0,2,0,0,0,0|1,0,1]=4 164 B18R0.3155 CCCCCCCCCCCCNC(=O)CCOC WXVL_AK1886SB0156 [0,2,0,0,0,0|1,0,1]=4 165 B18R0.3155 CCCCCCCCCCCCNC(=O)CCOC WXVL_AK1886SB0156 [0,2,0,0,0,0|1,0,1]=4 166 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB2796 [0,2,0,0,0,0|1,0,1]=4 167 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB2796 [0,2,0,0,0,0|1,0,1]=4 168 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB2796 [0,2,0,0,0,0|0,0,1]=3 169 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB2796 [0,2,0,0,0,0|0,0,1]=3 170 B18R0.7792 CCCCCCCCCCCC(=O)NCCCOC WXVL_AK00637SB2796 [0,2,0,0,0,0|1,0,1]=4 171 B18R0.7792 CCCCCCCCCCCC(=O)NCCCOC WXVL_AK00637SB2796 [0,2,0,0,0,0|1,0,1]=4 172 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCBr WXVL_AK1845SB2192 [0,2,0,0,0,0|1,0,1]=4 173 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCBr WXVL_AK1845SB2192 [0,2,0,0,0,0|1,0,1]=4 174 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCO WXVL_AK1845SB2973 [0,2,0,0,0,0|0,0,1]=3 175 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCO WXVL_AK1845SB2973 [0,2,0,0,0,0|0,0,1]=3 176 B18R0.17438 CCCCCCCC(=O)NCCCCCCCCO WXVL_AK4142SB0393 [0,2,0,0,0,0|0,0,1]=3 177 B18R0.17438 CCCCCCCC(=O)NCCCCCCCCO WXVL_AK4142SB0393 [0,2,0,0,0,0|0,0,1]=3 178 B18R0.17438 CCCCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB0490 [0,2,0,0,0,0|1,0,1]=4 179 B18R0.17438 CCCCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB0490 [0,2,0,0,0,0|1,0,1]=4 180 B18R0.17438 CCCCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB0490 [0,2,0,0,0,0|0,0,1]=3 181 B18R0.17438 CCCCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB0490 [0,2,0,0,0,0|0,0,1]=3 182 B18R0.17438 CCCCCCCCCCC(=O)NCCNCCO WXVL_AK0954SB0490 [0,2,0,0,0,0|1,0,1]=4 183 B18R0.17438 CCCCCCCCCCC(=O)NCCNCCO WXVL_AK0954SB0490 [0,2,0,0,0,0|1,0,1]=4 184 B18R0.17438 CCCCCCCCCNC(=O)CCCCCCBr WXVL_AK1826SB1386 [0,2,0,0,0,0|1,0,1]=4 185 B18R0.17438 CCCCCCCCCNC(=O)CCCCCCBr WXVL_AK1826SB1386 [0,2,0,0,0,0|1,0,1]=4 186 B18R0.17438 CCCCCCCCCNC(=O)CCCCCCC WXVL_AK1826SB0393 [0,2,0,0,0,0|1,0,1]=4 187 B18R0.17438 CCCCCCCCCNC(=O)CCCCCCC WXVL_AK1826SB0393 [0,2,0,0,0,0|1,0,1]=4 188 B18R0.17438 O=C(CCCCCCBr)NCCCCCCCCO WXVL_AK4142SB1386 [0,2,0,0,0,0|1,0,1]=4 189 B18R0.17438 O=C(CCCCCCBr)NCCCCCCCCO WXVL_AK4142SB1386 [0,2,0,0,0,0|1,0,1]=4 190 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0547 [0,2,0,0,0,0|1,0,1]=4 191 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0547 [0,2,0,0,0,0|1,0,1]=4 192 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0547 [0,2,0,0,0,0|0,0,1]=3 193 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0547 [0,2,0,0,0,0|0,0,1]=3 194 B18R0.19788 CCCCNC(=O)CCCCCCCCCCCBr WXVL_AK00588SB0603 [0,2,0,0,0,0|1,0,1]=4 195 B18R0.19788 CCCCNC(=O)CCCCCCCCCCCBr WXVL_AK00588SB0603 [0,2,0,0,0,0|1,0,1]=4 196 B18R0.19788 O=C(CCCCBr)NCCCCCCCCCCO WXVL_AK3148SB3153 [0,2,0,0,0,0|1,0,1]=4 197 B18R0.19788 O=C(CCCCBr)NCCCCCCCCCCO WXVL_AK3148SB3153 [0,2,0,0,0,0|1,0,1]=4 198 B18R0.19788 O=C(CCCCCCCCCCCBr)NCCCO WXVL_AK0073SB0603 [0,2,0,0,0,0|1,0,1]=4 199 B18R0.19788 O=C(CCCCCCCCCCCBr)NCCCO WXVL_AK0073SB0603 [0,2,0,0,0,0|1,0,1]=4 200 B18R0.19788 O=C(CCCCCl)NCCCCCCCCCCO WXVL_AK3148SB0379 [0,2,0,0,0,0|1,0,1]=4 201 B18R0.19788 O=C(CCCCCl)NCCCCCCCCCCO WXVL_AK3148SB0379 [0,2,0,0,0,0|1,0,1]=4 202 B18R0.175 CCC(C)CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0353 [0,2,0,0,0,0|1,0,1]=4 203 B18R0.175 CCC(C)CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0353 [0,2,0,0,0,0|1,0,1]=4 204 B18R0.175 CCC(O)CC(=O)NCCCCCCCCCCO WXVL_AK3148SB4092 [0,2,0,0,0,0|1,0,1]=4 205 B18R0.175 CCC(O)CC(=O)NCCCCCCCCCCO WXVL_AK3148SB4092 [0,2,0,0,0,0|1,0,1]=4 206 B18R0.175 CCCCCCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0547 [0,2,0,0,0,0|1,0,1]=4 207 B18R0.175 CCCCCCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0547 [0,2,0,0,0,0|1,0,1]=4 208 B18R0.175 CC[C@@H](C)CC(=O)NCCCCCCCCCCO WXVL_AK3148SB8650 [0,2,0,0,0,0|1,0,1]=4 209 B18R0.175 CC[C@@H](C)CC(=O)NCCCCCCCCCCO WXVL_AK3148SB8650 [0,2,0,0,0,0|1,0,1]=4 210 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB2796 [0,2,0,0,0,0|1,0,1]=4 211 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB2796 [0,2,0,0,0,0|1,0,1]=4 212 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@H](O)CO WXVL_AK00483SB2796 [0,2,0,0,0,0|1,0,1]=4 213 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@H](O)CO WXVL_AK00483SB2796 [0,2,0,0,0,0|1,0,1]=4 214 B18R0.17427 CCCCCCCCCCC(=O)NCCC(C)CO WXVL_AK4143SB0490 [0,2,0,0,0,0|1,0,1]=4 215 B18R0.17427 CCCCCCCCCCC(=O)NCCC(C)CO WXVL_AK4143SB0490 [0,2,0,0,0,0|1,0,1]=4 216 B18R0.19358 CCS(=O)(=O)NCCCCCCCCCCCCO WXVL_AK3055HU0028 [0,2,0,0,0,0|2,0,0]=4 217 B18R0.19358 CCS(=O)(=O)NCCCCCCCCCCCCO WXVL_AK3055HU0028 [0,2,0,0,0,0|2,0,0]=4 218 B18R0.177 CCCC(C)C(=O)NCCCCCCCCCCO WXVL_AK3148SB0352 [0,2,0,0,0,0|1,0,1]=4 219 B18R0.177 CCCC(C)C(=O)NCCCCCCCCCCO WXVL_AK3148SB0352 [0,2,0,0,0,0|1,0,1]=4 220 B18R0.177 CCCCCCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB0547 [0,2,0,0,0,0|1,0,1]=4 221 B18R0.177 CCCCCCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB0547 [0,2,0,0,0,0|1,0,1]=4 222 B18R0.177 CCC[C@H](O)C(=O)NCCCCCCCCCCO WXVL_AK3148SB3627 [0,2,0,0,0,0|1,0,1]=4 223 B18R0.177 CCC[C@H](O)C(=O)NCCCCCCCCCCO WXVL_AK3148SB3627 [0,2,0,0,0,0|1,0,1]=4 224 B18R0.13760 CCCCS(=O)(=O)NCCCCCCCCCCO WXVL_AK3148HU0031 [0,2,0,0,0,0|2,0,0]=4 225 B18R0.13760 CCCCS(=O)(=O)NCCCCCCCCCCO WXVL_AK3148HU0031 [0,2,0,0,0,0|2,0,0]=4 226 B18R0.45 CCCCCCCCCCCC(=O)NC(C)CCO WXVL_AK1288SB2796 [0,2,0,0,0,0|1,0,1]=4 227 B18R0.45 CCCCCCCCCCCC(=O)NC(C)CCO WXVL_AK1288SB2796 [0,2,0,0,0,0|1,0,1]=4 228 B18R0.11006 CCCCCC(C)C(=O)NCCCCCCCCO WXVL_AK4142SB0394 [0,2,0,0,0,0|1,0,1]=4 229 B18R0.11006 CCCCCC(C)C(=O)NCCCCCCCCO WXVL_AK4142SB0394 [0,2,0,0,0,0|1,0,1]=4 230 B18R0.9629 CCCCCCCC(O)CC(=O)NCCCCCO WXVL_AK0077SB4065 [0,2,0,0,0,0|1,0,1]=4 231 B18R0.9629 CCCCCCCC(O)CC(=O)NCCCCCO WXVL_AK0077SB4065 [0,2,0,0,0,0|1,0,1]=4 232 B18R0.17286 CCCCCCCCCCS(=O)(=O)NCCCCO WXVL_AK0075HU0549 [0,2,0,0,0,0|2,0,0]=4 233 B18R0.17286 CCCCCCCCCCS(=O)(=O)NCCCCO WXVL_AK0075HU0549 [0,2,0,0,0,0|2,0,0]=4 234 B18R1.1306 CCCCCCCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0409 [0,1,0,1,0,0|1,0,1]=4 235 B18R1.1306 CCCCCCCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0409 [0,1,0,1,0,0|1,0,1]=4 236 B18R1.1306 O=C(CCC1CCCCC1)NCCCCCCO WXVL_AK0751SB0049 [0,1,0,1,0,0|1,0,1]=4 237 B18R1.1306 O=C(CCC1CCCCC1)NCCCCCCO WXVL_AK0751SB0049 [0,1,0,1,0,0|1,0,1]=4 238 B18R1.7834 CCCCCCCCC(=O)N1CCCCC1CO WXVL_AN0018SB0409 [0,1,0,1,0,0|1,0,1]=4 239 B18R1.7834 CCCCCCCCC(=O)N1CCCCC1CO WXVL_AN0018SB0409 [0,1,0,1,0,0|1,0,1]=4 240 B18R1.21875 O=C(CCCCCCCO)NCCC1CCCC1 WXVL_AK00531SB1306 [0,1,0,1,0,0|1,0,1]=4 241 B18R1.21875 O=C(CCCCCCCO)NCCC1CCCC1 WXVL_AK00531SB1306 [0,1,0,1,0,0|1,0,1]=4 242 B18R1.13739 O=C(NCCCCCCCCCCO)C1CCC1 WXVL_AK3148SB0042 [0,1,0,1,0,0|1,0,1]=4 243 B18R1.13739 O=C(NCCCCCCCCCCO)C1CCC1 WXVL_AK3148SB0042 [0,1,0,1,0,0|1,0,1]=4 244 B18R1.13741 O=C(CC1CC1)NCCCCCCCCCCO WXVL_AK3148SB0155 [0,1,0,1,0,0|1,0,1]=4 245 B18R1.13741 O=C(CC1CC1)NCCCCCCCCCCO WXVL_AK3148SB0155 [0,1,0,1,0,0|1,0,1]=4 246 B18R1.122414 CC1CC1C(=O)NCCCCCCCCCCO WXVL_AK3148SB0041 [0,1,0,1,0,0|1,0,1]=4 247 B18R1.122414 CC1CC1C(=O)NCCCCCCCCCCO WXVL_AK3148SB0041 [0,1,0,1,0,0|1,0,1]=4 248 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCO1 WXVL_AK1845SB1033 [0,1,0,1,0,0|1,0,1]=4 249 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCO1 WXVL_AK1845SB1033 [0,1,0,1,0,0|1,0,1]=4 250 B18R1.1327 CCCCCCCCCCNC(=O)[C@H]1CCCO1 WXVL_AK1845SB00043 [0,1,0,1,0,0|1,0,1]=4 251 B18R1.1327 CCCCCCCCCCNC(=O)[C@H]1CCCO1 WXVL_AK1845SB00043 [0,1,0,1,0,0|1,0,1]=4 252 B18R1.346 CCCCCCCCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0447 [0,1,0,1,0,0|1,0,1]=4 253 B18R1.346 CCCCCCCCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0447 [0,1,0,1,0,0|1,0,1]=4 254 B18R1.1311 CCCCCCCCNC(=O)CC1CCCCO1 WXVL_AK1818SB1464 [0,1,0,1,0,0|1,0,1]=4 255 B18R1.1311 CCCCCCCCNC(=O)CC1CCCCO1 WXVL_AK1818SB1464 [0,1,0,1,0,0|1,0,1]=4 256 B18R1.10574 CCCCCCCC(=O)N1CCCCC1CCO WXVL_AN2918SB0393 [0,1,0,1,0,0|1,0,1]=4 257 B18R1.10574 CCCCCCCC(=O)N1CCCC[C@@H]1CCO WXVL_AN00657SB0393 [0,1,0,1,0,0|1,0,1]=4 258 B18R1.24270 CCCCCCCCCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0447 [0,1,0,1,0,0|1,0,1]=4 259 B18R1.352 O=C(CC1CCCC1)NCCCCCCCCO WXVL_AK4142SB0044 [0,1,0,1,0,0|1,0,1]=4 260 B18R1.352 O=C(CC1CCCC1)NCCCCCCCCO WXVL_AK4142SB0044 [0,1,0,1,0,0|1,0,1]=4 261 B18R1.1146 CCCCCCCCCNC(=O)C1CCCCO1 WXVL_AK1826SB0206 [0,1,0,1,0,0|1,0,1]=4 262 B18R1.1146 CCCCCCCCCNC(=O)C1CCCCO1 WXVL_AK1826SB0206 [0,1,0,1,0,0|1,0,1]=4 263 B18R1.1146 CCCCCCCCCNC(=O)[C@H]1CCCCO1 WXVL_AK1826SB00044 [0,1,0,1,0,0|1,0,1]=4 264 B18R1.1146 CCCCCCCCCNC(=O)[C@H]1CCCCO1 WXVL_AK1826SB00044 [0,1,0,1,0,0|1,0,1]=4 265 B18R1.1146 O=C(NCCCCCCCCO)C1CCCCC1 WXVL_AK4142SB0047 [0,1,0,1,0,0|1,0,1]=4 266 B18R1.1146 O=C(NCCCCCCCCO)C1CCCCC1 WXVL_AK4142SB0047 [0,1,0,1,0,0|1,0,1]=4 267 B18R1.5198 O=C(CCCCCO)NCCCC1CCCCC1 WXVL_AK4112SB2973 [0,1,0,1,0,0|1,0,1]=4 268 B18R1.5198 O=C(CCCCCO)NCCCC1CCCCC1 WXVL_AK4112SB2973 [0,1,0,1,0,0|1,0,1]=4 269 B18R1.13567 CCCCCCCCCCC(=O)NCC1CCO1 WXVL_AK1433SB0490 [0,1,0,1,0,0|1,0,1]=4 270 B18R1.13567 CCCCCCCCCCC(=O)NCC1CCO1 WXVL_AK1433SB0490 [0,1,0,1,0,0|1,0,1]=4 271 B18R1.13567 O=C(CCC1CCC1)NCCCCCCCCO WXVL_AK4142SB8784 [0,1,0,1,0,0|1,0,1]=4 272 B18R1.13567 O=C(CCC1CCC1)NCCCCCCCCO WXVL_AK4142SB8784 [0,1,0,1,0,0|1,0,1]=4 273 B18R1.36734 CC1CCCC1C(=O)NCCCCCCCCO WXVL_AK4142SB0904 [0,1,0,1,0,0|1,0,1]=4 274 B18R1.36734 CC1CCCC1C(=O)NCCCCCCCCO WXVL_AK4142SB0904 [0,1,0,1,0,0|1,0,1]=4 275 B18R1.36735 CCCCCCCCCCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0490 [0,1,0,1,0,0|1,0,1]=4 276 B18R1.36735 CCCCCCCCCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0490 [0,1,0,1,0,0|1,0,1]=4 277 B18R1.36735 CCCCCCCCCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0490 [0,1,0,1,0,0|1,0,1]=4