0 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,1,0,0,0,0|2,0,1]=4 1 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,1,0,0,0,0|2,0,1]=4 2 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,1,0,0,0,0|2,0,1]=4 3 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,1,0,0,0,0|2,0,1]=4 4 B13R0.54 CCCCCCCCCCCC(=O)N WXVL_AK0084SB2796 [0,1,0,0,0,0|0,0,2]=3 5 B13R0.54 CCCCCCCCCCCC(=O)N WXVL_AK0084SB2796 [0,1,0,0,0,0|0,0,2]=3 6 B13R0.54 CCCCCCCCCCNC(=O)C WXVL_AK1845SB0150 [0,1,0,0,0,0|1,0,2]=4 7 B13R0.54 CCCCCCCCCCNC(=O)C WXVL_AK1845SB0150 [0,1,0,0,0,0|1,0,2]=4 8 B13R0.66 CCCCCCCCC(=O)NCCC WXVL_AK00504SB0409 [0,1,0,0,0,0|2,0,1]=4 9 B13R0.66 CCCCCCCCC(=O)NCCC WXVL_AK00504SB0409 [0,1,0,0,0,0|2,0,1]=4 10 B13R0.66 CCCCCCCCC(=O)NCCF WXVL_AK00466SB0409 [0,1,0,0,0,0|2,0,1]=4 11 B13R0.66 CCCCCCCCC(=O)NCCF WXVL_AK00466SB0409 [0,1,0,0,0,0|2,0,1]=4 12 B13R0.66 CCCNC(=O)CCCCCCCBr WXVL_AK00504SB0559 [0,1,0,0,0,0|2,0,1]=4 13 B13R0.66 CCCNC(=O)CCCCCCCBr WXVL_AK00504SB0559 [0,1,0,0,0,0|2,0,1]=4 14 B13R0.66 CCCNC(=O)CCCCCCCO WXVL_AK00504SB1306 [0,1,0,0,0,0|1,0,1]=3 15 B13R0.66 CCCNC(=O)CCCCCCCO WXVL_AK00504SB1306 [0,1,0,0,0,0|1,0,1]=3 16 B13R0.66 CCOCC(=O)NCCCCCCO WXVL_AK0751SB0091 [0,1,0,0,0,0|2,0,1]=4 17 B13R0.66 CCOCC(=O)NCCCCCCO WXVL_AK0751SB0091 [0,1,0,0,0,0|2,0,1]=4 18 B13R0.66 CCSCC(=O)NCCCCCCO WXVL_AK0751SB0002 [0,1,0,0,0,0|2,0,1]=4 19 B13R0.66 CCSCC(=O)NCCCCCCO WXVL_AK0751SB0002 [0,1,0,0,0,0|2,0,1]=4 20 B13R0.66 COCCC(=O)NCCCCCCO WXVL_AK0751SB0156 [0,1,0,0,0,0|2,0,1]=4 21 B13R0.66 COCCC(=O)NCCCCCCO WXVL_AK0751SB0156 [0,1,0,0,0,0|2,0,1]=4 22 B13R0.66 CSCCC(=O)NCCCCCCO WXVL_AK0751SB0361 [0,1,0,0,0,0|2,0,1]=4 23 B13R0.66 CSCCC(=O)NCCCCCCO WXVL_AK0751SB0361 [0,1,0,0,0,0|2,0,1]=4 24 B13R0.66 O=C(CCCCCCCO)NCCF WXVL_AK00466SB1306 [0,1,0,0,0,0|2,0,1]=4 25 B13R0.66 O=C(CCCCCCCO)NCCF WXVL_AK00466SB1306 [0,1,0,0,0,0|2,0,1]=4 26 B13R0.147 CCC(=O)NCCCCCCCCO WXVL_AK4142SB0064 [0,1,0,0,0,0|1,0,1]=3 27 B13R0.147 CCC(=O)NCCCCCCCCO WXVL_AK4142SB0064 [0,1,0,0,0,0|1,0,1]=3 28 B13R0.147 CCCCCCCCCCC(=O)NC WXVL_AK00442SB0490 [0,1,0,0,0,0|2,0,1]=4 29 B13R0.147 CCCCCCCCCCC(=O)NC WXVL_AK00442SB0490 [0,1,0,0,0,0|2,0,1]=4 30 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [0,1,0,0,0,0|2,0,1]=4 31 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [0,1,0,0,0,0|2,0,1]=4 32 B13R0.147 CCCCCCCCCNC(=O)CO WXVL_AK1826SB2706 [0,1,0,0,0,0|1,0,1]=3 33 B13R0.147 CCCCCCCCCNC(=O)CO WXVL_AK1826SB2706 [0,1,0,0,0,0|1,0,1]=3 34 B13R0.147 O=C(CO)NCCCCCCCCO WXVL_AK4142SB2706 [0,1,0,0,0,0|2,0,1]=4 35 B13R0.147 O=C(CO)NCCCCCCCCO WXVL_AK4142SB2706 [0,1,0,0,0,0|2,0,1]=4 36 B13R0.165 CCCCCNC(=O)CCCCCBr WXVL_AK0076SB2192 [0,1,0,0,0,0|2,0,1]=4 37 B13R0.165 CCCCCNC(=O)CCCCCBr WXVL_AK0076SB2192 [0,1,0,0,0,0|2,0,1]=4 38 B13R0.165 CCCCCNC(=O)CCCCCO WXVL_AK0076SB2973 [0,1,0,0,0,0|1,0,1]=3 39 B13R0.165 CCCCCNC(=O)CCCCCO WXVL_AK0076SB2973 [0,1,0,0,0,0|1,0,1]=3 40 B13R0.165 CCSCCNC(=O)CCCCCO WXVL_AK00494SB2973 [0,1,0,0,0,0|2,0,1]=4 41 B13R0.165 CCSCCNC(=O)CCCCCO WXVL_AK00494SB2973 [0,1,0,0,0,0|2,0,1]=4 42 B13R0.165 COCCCNC(=O)CCCCCO WXVL_AK00637SB2973 [0,1,0,0,0,0|2,0,1]=4 43 B13R0.165 COCCCNC(=O)CCCCCO WXVL_AK00637SB2973 [0,1,0,0,0,0|2,0,1]=4 44 B13R0.165 CSCCCNC(=O)CCCCCO WXVL_AK0965SB2973 [0,1,0,0,0,0|2,0,1]=4 45 B13R0.165 CSCCCNC(=O)CCCCCO WXVL_AK0965SB2973 [0,1,0,0,0,0|2,0,1]=4 46 B13R0.165 O=C(CCCCCBr)NCCCCO WXVL_AK0075SB2192 [0,1,0,0,0,0|2,0,1]=4 47 B13R0.165 O=C(CCCCCBr)NCCCCO WXVL_AK0075SB2192 [0,1,0,0,0,0|2,0,1]=4 48 B13R0.165 O=C(CCCCCO)NCCCCO WXVL_AK0075SB2973 [0,1,0,0,0,0|2,0,1]=4 49 B13R0.165 O=C(CCCCCO)NCCCCO WXVL_AK0075SB2973 [0,1,0,0,0,0|2,0,1]=4 50 B13R0.338 CCCCCCCC(=O)NCCCC WXVL_AK00588SB0393 [0,1,0,0,0,0|2,0,1]=4 51 B13R0.338 CCCCCCCC(=O)NCCCC WXVL_AK00588SB0393 [0,1,0,0,0,0|2,0,1]=4 52 B13R0.338 CCCCCCCC(=O)NCCCO WXVL_AK0073SB0393 [0,1,0,0,0,0|1,0,1]=3 53 B13R0.338 CCCCCCCC(=O)NCCCO WXVL_AK0073SB0393 [0,1,0,0,0,0|1,0,1]=3 54 B13R0.338 CCCCCCNC(=O)CCCCBr WXVL_AK0286SB3153 [0,1,0,0,0,0|2,0,1]=4 55 B13R0.338 CCCCCCNC(=O)CCCCBr WXVL_AK0286SB3153 [0,1,0,0,0,0|2,0,1]=4 56 B13R0.338 CCCCCCNC(=O)CCCCCl WXVL_AK0286SB0379 [0,1,0,0,0,0|2,0,1]=4 57 B13R0.338 CCCCCCNC(=O)CCCCCl WXVL_AK0286SB0379 [0,1,0,0,0,0|2,0,1]=4 58 B13R0.338 CCCCNC(=O)CCCCCCBr WXVL_AK00588SB1386 [0,1,0,0,0,0|2,0,1]=4 59 B13R0.338 CCCCNC(=O)CCCCCCBr WXVL_AK00588SB1386 [0,1,0,0,0,0|2,0,1]=4 60 B13R0.338 O=C(CCCCBr)NCCCCCO WXVL_AK0077SB3153 [0,1,0,0,0,0|2,0,1]=4 61 B13R0.338 O=C(CCCCBr)NCCCCCO WXVL_AK0077SB3153 [0,1,0,0,0,0|2,0,1]=4 62 B13R0.338 O=C(CCCCCCBr)NCCCO WXVL_AK0073SB1386 [0,1,0,0,0,0|2,0,1]=4 63 B13R0.338 O=C(CCCCCCBr)NCCCO WXVL_AK0073SB1386 [0,1,0,0,0,0|2,0,1]=4 64 B13R0.338 O=C(CCCCCl)NCCCCCO WXVL_AK0077SB0379 [0,1,0,0,0,0|2,0,1]=4 65 B13R0.338 O=C(CCCCCl)NCCCCCO WXVL_AK0077SB0379 [0,1,0,0,0,0|2,0,1]=4 66 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [1,1,0,0,0,0|1,0,1]=4 67 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [1,1,0,0,0,0|1,0,1]=4 68 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [1,1,0,0,0,0|1,0,1]=4 69 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [1,1,0,0,0,0|1,0,1]=4 70 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [1,1,0,0,0,0|1,0,1]=4 71 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [1,1,0,0,0,0|1,0,1]=4 72 B12R0.47 CCCCNC(=O)CCCCCO WXVL_AK00588SB2973 [1,1,0,0,0,0|1,0,1]=4 73 B12R0.47 CCCCNC(=O)CCCCCO WXVL_AK00588SB2973 [1,1,0,0,0,0|1,0,1]=4 74 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [1,1,0,0,0,0|1,0,1]=4 75 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [1,1,0,0,0,0|1,0,1]=4 76 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [1,1,0,0,0,0|1,0,1]=4 77 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [1,1,0,0,0,0|1,0,1]=4 78 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [1,1,0,0,0,0|0,0,2]=4 79 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [1,1,0,0,0,0|0,0,2]=4 80 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [1,1,0,0,0,0|1,0,1]=4 81 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [1,1,0,0,0,0|1,0,1]=4 82 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [1,1,0,0,0,0|1,0,1]=4 83 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [1,1,0,0,0,0|1,0,1]=4 84 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [1,1,0,0,0,0|1,0,1]=4 85 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [1,1,0,0,0,0|1,0,1]=4 86 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [1,1,0,0,0,0|1,0,1]=4 87 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [1,1,0,0,0,0|1,0,1]=4 88 B14R0.73 CCCCCCCC(=O)NC(C)CCO WXVL_AK1288SB0393 [0,2,0,0,0,0|1,0,1]=4 89 B14R0.73 CCCCCCCC(=O)NC(C)CCO WXVL_AK1288SB0393 [0,2,0,0,0,0|1,0,1]=4 90 B14R0.83 CCCC(C)C(=O)NCCCCCCO WXVL_AK0751SB0352 [0,2,0,0,0,0|1,0,1]=4 91 B14R0.83 CCCC(C)C(=O)NCCCCCCO WXVL_AK0751SB0352 [0,2,0,0,0,0|1,0,1]=4 92 B14R0.83 CCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB0409 [0,2,0,0,0,0|1,0,1]=4 93 B14R0.83 CCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB0409 [0,2,0,0,0,0|1,0,1]=4 94 B14R0.83 CCC[C@H](O)C(=O)NCCCCCCO WXVL_AK0751SB3627 [0,2,0,0,0,0|1,0,1]=4 95 B14R0.83 CCC[C@H](O)C(=O)NCCCCCCO WXVL_AK0751SB3627 [0,2,0,0,0,0|1,0,1]=4 96 B14R0.391 CCCCCCCCNC(=O)CC(C)O WXVL_AK1818SB3643 [0,2,0,0,0,0|1,0,1]=4 97 B14R0.391 CCCCCCCCNC(=O)CC(C)O WXVL_AK1818SB3643 [0,2,0,0,0,0|1,0,1]=4 98 B14R0.393 CCCC(=O)NCCCCCCCCO WXVL_AK4142SB0073 [0,2,0,0,0,0|0,0,1]=3 99 B14R0.393 CCCC(=O)NCCCCCCCCO WXVL_AK4142SB0073 [0,2,0,0,0,0|0,0,1]=3 100 B14R0.393 CCCCCCCCCCC(=O)NCC WXVL_AK00476SB0490 [0,2,0,0,0,0|1,0,1]=4 101 B14R0.393 CCCCCCCCCCC(=O)NCC WXVL_AK00476SB0490 [0,2,0,0,0,0|1,0,1]=4 102 B14R0.393 CCCCCCCCCNC(=O)CCC WXVL_AK1826SB0073 [0,2,0,0,0,0|1,0,1]=4 103 B14R0.393 CCCCCCCCCNC(=O)CCC WXVL_AK1826SB0073 [0,2,0,0,0,0|1,0,1]=4 104 B14R0.393 CCCCCCCCCNC(=O)COC WXVL_AK1826SB0090 [0,2,0,0,0,0|1,0,1]=4 105 B14R0.393 CCCCCCCCCNC(=O)COC WXVL_AK1826SB0090 [0,2,0,0,0,0|1,0,1]=4 106 B14R0.393 COCC(=O)NCCCCCCCCO WXVL_AK4142SB0090 [0,2,0,0,0,0|1,0,1]=4 107 B14R0.393 COCC(=O)NCCCCCCCCO WXVL_AK4142SB0090 [0,2,0,0,0,0|1,0,1]=4 108 B14R0.393 CSCC(=O)NCCCCCCCCO WXVL_AK4142SB1267 [0,2,0,0,0,0|1,0,1]=4 109 B14R0.393 CSCC(=O)NCCCCCCCCO WXVL_AK4142SB1267 [0,2,0,0,0,0|1,0,1]=4 110 B14R0.493 CCCCCCCCCC(=O)NCCC WXVL_AK00504SB0447 [0,2,0,0,0,0|1,0,1]=4 111 B14R0.493 CCCCCCCCCC(=O)NCCC WXVL_AK00504SB0447 [0,2,0,0,0,0|1,0,1]=4 112 B14R0.493 CCCCCCCCCC(=O)NCCF WXVL_AK00466SB0447 [0,2,0,0,0,0|1,0,1]=4 113 B14R0.493 CCCCCCCCCC(=O)NCCF WXVL_AK00466SB0447 [0,2,0,0,0,0|1,0,1]=4 114 B14R0.493 CCCCCCCCNC(=O)CCOC WXVL_AK1818SB0156 [0,2,0,0,0,0|1,0,1]=4 115 B14R0.493 CCCCCCCCNC(=O)CCOC WXVL_AK1818SB0156 [0,2,0,0,0,0|1,0,1]=4 116 B14R0.2 CC(C)CCCC(=O)NCCCCCO WXVL_AK0077SB1301 [0,2,0,0,0,0|1,0,1]=4 117 B14R0.2 CC(C)CCCC(=O)NCCCCCO WXVL_AK0077SB1301 [0,2,0,0,0,0|1,0,1]=4 118 B14R0.337 CCCCCCCCCCCC(=O)NC WXVL_AK00442SB2796 [0,2,0,0,0,0|0,0,2]=4 119 B14R0.337 CCCCCCCCCCCC(=O)NC WXVL_AK00442SB2796 [0,2,0,0,0,0|0,0,2]=4 120 B14R0.337 CCCCCCCCCCNC(=O)CC WXVL_AK1845SB0064 [0,2,0,0,0,0|1,0,1]=4 121 B14R0.337 CCCCCCCCCCNC(=O)CC WXVL_AK1845SB0064 [0,2,0,0,0,0|1,0,1]=4 122 B14R0.337 CCCCCCCCCCNC(=O)CO WXVL_AK1845SB2706 [0,2,0,0,0,0|0,0,1]=3 123 B14R0.337 CCCCCCCCCCNC(=O)CO WXVL_AK1845SB2706 [0,2,0,0,0,0|0,0,1]=3 124 B14R0.340 CC(C)C(=O)NCCCCCCCCO WXVL_AK4142SB0052 [0,2,0,0,0,0|1,0,1]=4 125 B14R0.340 CC(C)C(=O)NCCCCCCCCO WXVL_AK4142SB0052 [0,2,0,0,0,0|1,0,1]=4 126 B14R0.340 CC(S)C(=O)NCCCCCCCCO WXVL_AK4142SB2708 [0,2,0,0,0,0|1,0,1]=4 127 B14R0.340 CC(S)C(=O)NCCCCCCCCO WXVL_AK4142SB2708 [0,2,0,0,0,0|1,0,1]=4 128 B14R0.340 CCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1826SB1085 [0,2,0,0,0,0|1,0,1]=4 129 B14R0.340 CCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1826SB1085 [0,2,0,0,0,0|1,0,1]=4 130 B14R0.340 C[C@@H](O)C(=O)NCCCCCCCCO WXVL_AK4142SB1085 [0,2,0,0,0,0|1,0,1]=4 131 B14R0.340 C[C@@H](O)C(=O)NCCCCCCCCO WXVL_AK4142SB1085 [0,2,0,0,0,0|1,0,1]=4 132 B14R0.344 CC(C)CCC(=O)NCCCCCCO WXVL_AK0751SB0354 [0,2,0,0,0,0|1,0,1]=4 133 B14R0.344 CC(C)CCC(=O)NCCCCCCO WXVL_AK0751SB0354 [0,2,0,0,0,0|1,0,1]=4 134 B14R0.344 CC(C)CNC(=O)CCCCCCCO WXVL_AK00544SB1306 [0,2,0,0,0,0|1,0,1]=4 135 B14R0.344 CC(C)CNC(=O)CCCCCCCO WXVL_AK00544SB1306 [0,2,0,0,0,0|1,0,1]=4 136 B14R0.344 CC(O)CNC(=O)CCCCCCCO WXVL_AK0052SB1306 [0,2,0,0,0,0|1,0,1]=4 137 B14R0.344 CC(O)CNC(=O)CCCCCCCO WXVL_AK0052SB1306 [0,2,0,0,0,0|1,0,1]=4 138 B14R0.344 CCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB0409 [0,2,0,0,0,0|1,0,1]=4 139 B14R0.344 CCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB0409 [0,2,0,0,0,0|1,0,1]=4 140 B14R0.344 CCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB0409 [0,2,0,0,0,0|1,0,1]=4 141 B14R0.344 CCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB0409 [0,2,0,0,0,0|1,0,1]=4 142 B14R0.344 C[C@H](O)CNC(=O)CCCCCCCO WXVL_AK0113SB1306 [0,2,0,0,0,0|1,0,1]=4 143 B14R0.344 C[C@H](O)CNC(=O)CCCCCCCO WXVL_AK0113SB1306 [0,2,0,0,0,0|1,0,1]=4 144 B14R0.394 CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0150 [0,2,0,0,0,0|0,0,1]=3 145 B14R0.394 CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0150 [0,2,0,0,0,0|0,0,1]=3 146 B14R0.394 CCCCCCCCCCCCC(=O)N WXVL_AK0084SB0547 [0,2,0,0,0,0|0,0,1]=3 147 B14R0.394 CCCCCCCCCCCCC(=O)N WXVL_AK0084SB0547 [0,2,0,0,0,0|0,0,1]=3 148 B14R0.394 NC(=O)CCCCCCCCCCCBr WXVL_AK0084SB0603 [0,2,0,0,0,0|0,0,2]=4 149 B14R0.394 NC(=O)CCCCCCCCCCCBr WXVL_AK0084SB0603 [0,2,0,0,0,0|0,0,2]=4 150 B14R0.82 CCC(C)CC(=O)NCCCCCCO WXVL_AK0751SB0353 [0,2,0,0,0,0|1,0,1]=4 151 B14R0.82 CCC(C)CC(=O)NCCCCCCO WXVL_AK0751SB0353 [0,2,0,0,0,0|1,0,1]=4 152 B14R0.82 CCC(O)CC(=O)NCCCCCCO WXVL_AK0751SB4092 [0,2,0,0,0,0|1,0,1]=4 153 B14R0.82 CCC(O)CC(=O)NCCCCCCO WXVL_AK0751SB4092 [0,2,0,0,0,0|1,0,1]=4 154 B14R0.82 CCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0409 [0,2,0,0,0,0|1,0,1]=4 155 B14R0.82 CCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0409 [0,2,0,0,0,0|1,0,1]=4 156 B14R0.82 CC[C@@H](C)CC(=O)NCCCCCCO WXVL_AK0751SB8650 [0,2,0,0,0,0|1,0,1]=4 157 B14R0.82 CC[C@@H](C)CC(=O)NCCCCCCO WXVL_AK0751SB8650 [0,2,0,0,0,0|1,0,1]=4 158 B14R0.82 CC[C@H](C)NC(=O)CCCCCCCO WXVL_AK00678SB1306 [0,2,0,0,0,0|1,0,1]=4 159 B14R0.82 CC[C@H](C)NC(=O)CCCCCCCO WXVL_AK00678SB1306 [0,2,0,0,0,0|1,0,1]=4 160 B14R0.179 CCCCCCCCC(=O)NCCCC WXVL_AK00588SB0409 [0,2,0,0,0,0|1,0,1]=4 161 B14R0.179 CCCCCCCCC(=O)NCCCC WXVL_AK00588SB0409 [0,2,0,0,0,0|1,0,1]=4 162 B14R0.179 CCCCCCCCC(=O)NCCCO WXVL_AK0073SB0409 [0,2,0,0,0,0|0,0,1]=3 163 B14R0.179 CCCCCCCCC(=O)NCCCO WXVL_AK0073SB0409 [0,2,0,0,0,0|0,0,1]=3 164 B14R0.179 CCCCNC(=O)CCCCCCCBr WXVL_AK00588SB0559 [0,2,0,0,0,0|1,0,1]=4 165 B14R0.179 CCCCNC(=O)CCCCCCCBr WXVL_AK00588SB0559 [0,2,0,0,0,0|1,0,1]=4 166 B14R0.179 CCCCNC(=O)CCCCCCCO WXVL_AK00588SB1306 [0,2,0,0,0,0|0,0,1]=3 167 B14R0.179 CCCCNC(=O)CCCCCCCO WXVL_AK00588SB1306 [0,2,0,0,0,0|0,0,1]=3 168 B14R0.179 CSCCNC(=O)CCCCCCCO WXVL_AK00440SB1306 [0,2,0,0,0,0|1,0,1]=4 169 B14R0.179 CSCCNC(=O)CCCCCCCO WXVL_AK00440SB1306 [0,2,0,0,0,0|1,0,1]=4 170 B14R0.179 O=C(CCCCBr)NCCCCCCO WXVL_AK0751SB3153 [0,2,0,0,0,0|1,0,1]=4 171 B14R0.179 O=C(CCCCBr)NCCCCCCO WXVL_AK0751SB3153 [0,2,0,0,0,0|1,0,1]=4 172 B14R0.179 O=C(CCCCCCCBr)NCCCO WXVL_AK0073SB0559 [0,2,0,0,0,0|1,0,1]=4 173 B14R0.179 O=C(CCCCCCCBr)NCCCO WXVL_AK0073SB0559 [0,2,0,0,0,0|1,0,1]=4 174 B14R0.179 O=C(CCCCCCCO)NCCCO WXVL_AK0073SB1306 [0,2,0,0,0,0|1,0,1]=4 175 B14R0.179 O=C(CCCCCCCO)NCCCO WXVL_AK0073SB1306 [0,2,0,0,0,0|1,0,1]=4 176 B14R0.179 O=C(CCCCCl)NCCCCCCO WXVL_AK0751SB0379 [0,2,0,0,0,0|1,0,1]=4 177 B14R0.179 O=C(CCCCCl)NCCCCCCO WXVL_AK0751SB0379 [0,2,0,0,0,0|1,0,1]=4 178 B14R0.529 CCCCC(C)CCC(=O)NCCCO WXVL_AK0073SB1315 [0,2,0,0,0,0|1,0,1]=4 179 B14R0.529 CCCCC(C)CCC(=O)NCCCO WXVL_AK0073SB1315 [0,2,0,0,0,0|1,0,1]=4 180 B14R0.1095 CCCCC(O)C(=O)NCCCCCO WXVL_AK0077SB3429 [0,2,0,0,0,0|1,0,1]=4 181 B14R0.1095 CCCCC(O)C(=O)NCCCCCO WXVL_AK0077SB3429 [0,2,0,0,0,0|1,0,1]=4 182 B14R0.2489 CCCCS(=O)(=O)NCCCCCCO WXVL_AK0751HU0031 [0,2,0,0,0,0|2,0,0]=4 183 B14R0.2489 CCCCS(=O)(=O)NCCCCCCO WXVL_AK0751HU0031 [0,2,0,0,0,0|2,0,0]=4 184 B14R0.140 CCCCCCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0393 [0,2,0,0,0,0|1,0,1]=4 185 B14R0.140 CCCCCCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0393 [0,2,0,0,0,0|1,0,1]=4 186 B14R0.140 CCCCCCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0393 [0,2,0,0,0,0|1,0,1]=4 187 B14R0.140 CCCCCCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0393 [0,2,0,0,0,0|1,0,1]=4 188 B14R0.2056 CCS(=O)(=O)NCCCCCCCCO WXVL_AK4142HU0028 [0,2,0,0,0,0|2,0,0]=4 189 B14R0.2056 CCS(=O)(=O)NCCCCCCCCO WXVL_AK4142HU0028 [0,2,0,0,0,0|2,0,0]=4 190 B14R0.145 CCCCCCCC(=O)NCCCCC WXVL_AK0076SB0393 [0,2,0,0,0,0|1,0,1]=4 191 B14R0.145 CCCCCCCC(=O)NCCCCC WXVL_AK0076SB0393 [0,2,0,0,0,0|1,0,1]=4 192 B14R0.145 CCCCCCCC(=O)NCCCCO WXVL_AK0075SB0393 [0,2,0,0,0,0|0,0,1]=3 193 B14R0.145 CCCCCCCC(=O)NCCCCO WXVL_AK0075SB0393 [0,2,0,0,0,0|0,0,1]=3 194 B14R0.145 CCCCCCCC(=O)NCCCOC WXVL_AK00637SB0393 [0,2,0,0,0,0|1,0,1]=4 195 B14R0.145 CCCCCCCC(=O)NCCCOC WXVL_AK00637SB0393 [0,2,0,0,0,0|1,0,1]=4 196 B14R0.145 CCCCCCNC(=O)CCCCCBr WXVL_AK0286SB2192 [0,2,0,0,0,0|1,0,1]=4 197 B14R0.145 CCCCCCNC(=O)CCCCCBr WXVL_AK0286SB2192 [0,2,0,0,0,0|1,0,1]=4 198 B14R0.145 CCCCCCNC(=O)CCCCCO WXVL_AK0286SB2973 [0,2,0,0,0,0|0,0,1]=3 199 B14R0.145 CCCCCCNC(=O)CCCCCO WXVL_AK0286SB2973 [0,2,0,0,0,0|0,0,1]=3 200 B14R0.145 CCCCCNC(=O)CCCCCCBr WXVL_AK0076SB1386 [0,2,0,0,0,0|1,0,1]=4 201 B14R0.145 CCCCCNC(=O)CCCCCCBr WXVL_AK0076SB1386 [0,2,0,0,0,0|1,0,1]=4 202 B14R0.145 CCOCCCNC(=O)CCCCCO WXVL_AK0072SB2973 [0,2,0,0,0,0|1,0,1]=4 203 B14R0.145 CCOCCCNC(=O)CCCCCO WXVL_AK0072SB2973 [0,2,0,0,0,0|1,0,1]=4 204 B14R0.145 O=C(CCCCCBr)NCCCCCO WXVL_AK0077SB2192 [0,2,0,0,0,0|1,0,1]=4 205 B14R0.145 O=C(CCCCCBr)NCCCCCO WXVL_AK0077SB2192 [0,2,0,0,0,0|1,0,1]=4 206 B14R0.145 O=C(CCCCCCBr)NCCCCO WXVL_AK0075SB1386 [0,2,0,0,0,0|1,0,1]=4 207 B14R0.145 O=C(CCCCCCBr)NCCCCO WXVL_AK0075SB1386 [0,2,0,0,0,0|1,0,1]=4 208 B14R0.145 O=C(CCCCCO)NCCCCCO WXVL_AK0077SB2973 [0,2,0,0,0,0|1,0,1]=4 209 B14R0.145 O=C(CCCCCO)NCCCCCO WXVL_AK0077SB2973 [0,2,0,0,0,0|1,0,1]=4 210 B14R0.2256 CCCCCC(C)C(=O)NCCCCO WXVL_AK0075SB0394 [0,2,0,0,0,0|1,0,1]=4 211 B14R0.2256 CCCCCC(C)C(=O)NCCCCO WXVL_AK0075SB0394 [0,2,0,0,0,0|1,0,1]=4 212 B14R1.263 CCCC(=O)N1CCCCC1CCO WXVL_AN2918SB0073 [0,1,0,1,0,0|1,0,1]=4 213 B14R1.263 CCCC(=O)N1CCCC[C@@H]1CCO WXVL_AN00657SB0073 [0,1,0,1,0,0|1,0,1]=4 214 B14R1.3768 O=C(NCCCCCCO)C1CCC1 WXVL_AK0751SB0042 [0,1,0,1,0,0|1,0,1]=4 215 B14R1.3768 O=C(NCCCCCCO)C1CCC1 WXVL_AK0751SB0042 [0,1,0,1,0,0|1,0,1]=4 216 B14R1.3770 O=C(CC1CC1)NCCCCCCO WXVL_AK0751SB0155 [0,1,0,1,0,0|1,0,1]=4 217 B14R1.3770 O=C(CC1CC1)NCCCCCCO WXVL_AK0751SB0155 [0,1,0,1,0,0|1,0,1]=4 218 B14R1.3770 O=C(CCCCCCCO)NC1CC1 WXVL_AK0001SB1306 [0,1,0,1,0,0|1,0,1]=4 219 B14R1.3770 O=C(CCCCCCCO)NC1CC1 WXVL_AK0001SB1306 [0,1,0,1,0,0|1,0,1]=4 220 B14R1.16946 CC1CC1C(=O)NCCCCCCO WXVL_AK0751SB0041 [0,1,0,1,0,0|1,0,1]=4 221 B14R1.16946 CC1CC1C(=O)NCCCCCCO WXVL_AK0751SB0041 [0,1,0,1,0,0|1,0,1]=4 222 B14R1.716 O=C(CO)NCCCC1CCCCC1 WXVL_AK4112SB2706 [0,1,0,1,0,0|1,0,1]=4 223 B14R1.716 O=C(CO)NCCCC1CCCCC1 WXVL_AK4112SB2706 [0,1,0,1,0,0|1,0,1]=4 224 B14R1.38 CCCCCNC(=O)C1CCCCO1 WXVL_AK0076SB0206 [0,1,0,1,0,0|1,0,1]=4 225 B14R1.38 CCCCCNC(=O)C1CCCCO1 WXVL_AK0076SB0206 [0,1,0,1,0,0|1,0,1]=4 226 B14R1.38 CCCCCNC(=O)[C@H]1CCCCO1 WXVL_AK0076SB00044 [0,1,0,1,0,0|1,0,1]=4 227 B14R1.38 CCCCCNC(=O)[C@H]1CCCCO1 WXVL_AK0076SB00044 [0,1,0,1,0,0|1,0,1]=4 228 B14R1.38 O=C(NCCCCO)C1CCCCC1 WXVL_AK0075SB0047 [0,1,0,1,0,0|1,0,1]=4 229 B14R1.38 O=C(NCCCCO)C1CCCCC1 WXVL_AK0075SB0047 [0,1,0,1,0,0|1,0,1]=4 230 B14R1.92 O=C(CC1CCCC1)NCCCCO WXVL_AK0075SB0044 [0,1,0,1,0,0|1,0,1]=4 231 B14R1.92 O=C(CC1CCCC1)NCCCCO WXVL_AK0075SB0044 [0,1,0,1,0,0|1,0,1]=4 232 B14R1.3360 CC1CCCC1C(=O)NCCCCO WXVL_AK0075SB0904 [0,1,0,1,0,0|1,0,1]=4 233 B14R1.3360 CC1CCCC1C(=O)NCCCCO WXVL_AK0075SB0904 [0,1,0,1,0,0|1,0,1]=4 234 B14R1.3360 C[C@@H]1CCCN1C(=O)CCCCCO WXVL_AN00593SB2973 [0,1,0,1,0,0|1,0,1]=4 235 B14R1.3684 O=C(CCC1CCC1)NCCCCO WXVL_AK0075SB8784 [0,1,0,1,0,0|1,0,1]=4 236 B14R1.3684 O=C(CCC1CCC1)NCCCCO WXVL_AK0075SB8784 [0,1,0,1,0,0|1,0,1]=4 237 B14R1.3684 O=C(CCCCCO)NCC1CCC1 WXVL_AK00492SB2973 [0,1,0,1,0,0|1,0,1]=4 238 B14R1.3684 O=C(CCCCCO)NCC1CCC1 WXVL_AK00492SB2973 [0,1,0,1,0,0|1,0,1]=4 239 B14R1.3685 O=C(CCCCCO)NCCC1CC1 WXVL_AK00594SB2973 [0,1,0,1,0,0|1,0,1]=4 240 B14R1.3685 O=C(CCCCCO)NCCC1CC1 WXVL_AK00594SB2973 [0,1,0,1,0,0|1,0,1]=4 241 B14R1.86 O=C(CCC1CCCC1)NCCCO WXVL_AK0073SB0045 [0,1,0,1,0,0|1,0,1]=4 242 B14R1.86 O=C(CCC1CCCC1)NCCCO WXVL_AK0073SB0045 [0,1,0,1,0,0|1,0,1]=4 243 B14R1.158 CCCCNC(=O)CC1CCCCO1 WXVL_AK00588SB1464 [0,1,0,1,0,0|1,0,1]=4 244 B14R1.158 CCCCNC(=O)CC1CCCCO1 WXVL_AK00588SB1464 [0,1,0,1,0,0|1,0,1]=4 245 B14R1.169 CCCCCCNC(=O)C1CCCO1 WXVL_AK0286SB1033 [0,1,0,1,0,0|1,0,1]=4 246 B14R1.169 CCCCCCNC(=O)C1CCCO1 WXVL_AK0286SB1033 [0,1,0,1,0,0|1,0,1]=4 247 B14R1.169 CCCCCCNC(=O)[C@H]1CCCO1 WXVL_AK0286SB00043 [0,1,0,1,0,0|1,0,1]=4 248 B14R1.169 CCCCCCNC(=O)[C@H]1CCCO1 WXVL_AK0286SB00043 [0,1,0,1,0,0|1,0,1]=4 249 B14R1.169 O=C(NCCCCCO)C1CCCC1 WXVL_AK0077SB0043 [0,1,0,1,0,0|1,0,1]=4 250 B14R1.169 O=C(NCCCCCO)C1CCCC1 WXVL_AK0077SB0043 [0,1,0,1,0,0|1,0,1]=4 251 B14R1.3001 O=C(NCCCO)C1CCCCCC1 WXVL_AK0073SB0385 [0,1,0,1,0,0|1,0,1]=4 252 B14R1.3001 O=C(NCCCO)C1CCCCCC1 WXVL_AK0073SB0385 [0,1,0,1,0,0|1,0,1]=4 253 B14R1.4517 O=C(CC1CCC1)NCCCCCO WXVL_AK0077SB2207 [0,1,0,1,0,0|1,0,1]=4 254 B14R1.4517 O=C(CC1CCC1)NCCCCCO WXVL_AK0077SB2207 [0,1,0,1,0,0|1,0,1]=4 255 B14R1.4518 O=C(CCC1CC1)NCCCCCO WXVL_AK0077SB5360 [0,1,0,1,0,0|1,0,1]=4 256 B14R1.4518 O=C(CCC1CC1)NCCCCCO WXVL_AK0077SB5360 [0,1,0,1,0,0|1,0,1]=4