0 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,1,0,0,0,0|2,0,1]=4 1 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,1,0,0,0,0|2,0,1]=4 2 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,1,0,0,0,0|2,0,1]=4 3 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,1,0,0,0,0|2,0,1]=4 4 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,0,0,0,0|1,0,1]=3 5 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,0,0,0,0|1,0,1]=3 6 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|2,0,1]=4 7 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|2,0,1]=4 8 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,1,0,0,0,0|1,0,1]=3 9 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,1,0,0,0,0|1,0,1]=3 10 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,1,0,0,0,0|1,0,1]=3 19 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,1,0,0,0,0|1,0,1]=3 20 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,1,0,0,0,0|1,0,2]=4 21 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,1,0,0,0,0|1,0,2]=4 23 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,1,0,0,0,0|1,0,2]=4 24 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,1,0,0,0,0|1,0,1]=3 25 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,1,0,0,0,0|1,0,1]=3 26 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,1,0,0,0,0|1,0,1]=4 27 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,1,0,0,0,0|1,0,1]=4 28 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [1,1,0,0,0,0|1,0,1]=4 29 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [1,1,0,0,0,0|1,0,1]=4 30 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [1,1,0,0,0,0|1,0,1]=4 31 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [1,1,0,0,0,0|1,0,1]=4 32 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,1,0,0,0,0|1,0,1]=4 33 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,1,0,0,0,0|1,0,1]=4 34 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|1,0,1]=4 35 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|1,0,1]=4 36 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [0,2,0,0,0,0|1,0,1]=4 37 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [0,2,0,0,0,0|1,0,1]=4 38 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,2,0,0,0,0|0,0,1]=3 39 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,2,0,0,0,0|0,0,1]=3 40 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,2,0,0,0,0|1,0,1]=4 41 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,2,0,0,0,0|1,0,1]=4 42 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|1,0,1]=4 43 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|1,0,1]=4 44 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,2,0,0,0,0|1,0,1]=4 45 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,2,0,0,0,0|1,0,1]=4 46 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,2,0,0,0,0|1,0,1]=4 47 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,2,0,0,0,0|1,0,1]=4 48 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,2,0,0,0,0|1,0,1]=4 49 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,2,0,0,0,0|1,0,1]=4 50 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [0,2,0,0,0,0|1,0,1]=4 51 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [0,2,0,0,0,0|1,0,1]=4 52 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [0,2,0,0,0,0|1,0,1]=4 53 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [0,2,0,0,0,0|1,0,1]=4 54 B9R0.34 CCC(=O)NC(C)CCO WXVL_AK1288SB0064 [0,2,0,0,0,0|1,0,1]=4 55 B9R0.34 CCC(=O)NC(C)CCO WXVL_AK1288SB0064 [0,2,0,0,0,0|1,0,1]=4 56 B9R0.34 CCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0073 [0,2,0,0,0,0|1,0,1]=4 57 B9R0.34 CCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0073 [0,2,0,0,0,0|1,0,1]=4 58 B9R0.34 CCC[C@H](C)NC(=O)CO WXVL_AK00682SB2706 [0,2,0,0,0,0|1,0,1]=4 59 B9R0.34 CCC[C@H](C)NC(=O)CO WXVL_AK00682SB2706 [0,2,0,0,0,0|1,0,1]=4 60 B9R0.35 CCCC(=O)N(C)CCO WXVL_AN2670SB0073 [0,2,0,0,0,0|1,0,1]=4 61 B9R0.35 CCCC(=O)N(C)CCO WXVL_AN2670SB0073 [0,2,0,0,0,0|1,0,1]=4 62 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [0,2,0,0,0,0|1,0,1]=4 63 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [0,2,0,0,0,0|1,0,1]=4 64 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [0,2,0,0,0,0|1,0,1]=4 65 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [0,2,0,0,0,0|1,0,1]=4 66 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [0,2,0,0,0,0|0,0,1]=3 67 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [0,2,0,0,0,0|0,0,1]=3 68 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [0,2,0,0,0,0|1,0,1]=4 69 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [0,2,0,0,0,0|1,0,1]=4 70 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [0,2,0,0,0,0|0,0,1]=3 71 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [0,2,0,0,0,0|0,0,1]=3 72 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [0,2,0,0,0,0|0,0,2]=4 73 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [0,2,0,0,0,0|0,0,2]=4 74 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [0,2,0,0,0,0|0,0,2]=4 75 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [0,2,0,0,0,0|0,0,2]=4 76 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,2,0,0,0,0|0,0,1]=3 77 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,2,0,0,0,0|0,0,1]=3 78 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,2,0,0,0,0|1,0,1]=4 79 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,2,0,0,0,0|1,0,1]=4 80 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,2,0,0,0,0|1,0,1]=4 81 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,2,0,0,0,0|1,0,1]=4 82 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,2,0,0,0,0|0,0,1]=3 83 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,2,0,0,0,0|0,0,1]=3 84 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,2,0,0,0,0|1,0,1]=4 85 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,2,0,0,0,0|1,0,1]=4 86 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,2,0,0,0,0|1,0,1]=4 87 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,2,0,0,0,0|1,0,1]=4 88 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,2,0,0,0,0|0,0,1]=3 89 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,2,0,0,0,0|0,0,1]=3 90 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,2,0,0,0,0|1,0,1]=4 91 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,2,0,0,0,0|1,0,1]=4 92 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,2,0,0,0,0|1,0,1]=4 93 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,2,0,0,0,0|1,0,1]=4 94 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,2,0,0,0,0|1,0,1]=4 95 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,2,0,0,0,0|1,0,1]=4 96 B9R0.1 CC(=O)NCCC(C)CO WXVL_AK4143SB0150 [0,2,0,0,0,0|1,0,1]=4 97 B9R0.1 CC(=O)NCCC(C)CO WXVL_AK4143SB0150 [0,2,0,0,0,0|1,0,1]=4 98 B9R0.1 CC(C)CCNC(=O)CO WXVL_AK0068SB2706 [0,2,0,0,0,0|1,0,1]=4 99 B9R0.1 CC(C)CCNC(=O)CO WXVL_AK0068SB2706 [0,2,0,0,0,0|1,0,1]=4 100 B9R0.20 CCS(=O)(=O)NCCCO WXVL_AK0073HU0028 [0,2,0,0,0,0|2,0,0]=4 101 B9R0.20 CCS(=O)(=O)NCCCO WXVL_AK0073HU0028 [0,2,0,0,0,0|2,0,0]=4 102 B9R0.24 CCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0064 [0,2,0,0,0,0|1,0,1]=4 103 B9R0.24 CCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0064 [0,2,0,0,0,0|1,0,1]=4 104 B9R0.24 CCC(=O)NC[C@H](O)CO WXVL_AK00483SB0064 [0,2,0,0,0,0|1,0,1]=4 105 B9R0.24 CCC(=O)NC[C@H](O)CO WXVL_AK00483SB0064 [0,2,0,0,0,0|1,0,1]=4 106 B9R0.47 CC(C)C(=O)NCCCO WXVL_AK0073SB0052 [0,2,0,0,0,0|1,0,1]=4 107 B9R0.47 CC(C)C(=O)NCCCO WXVL_AK0073SB0052 [0,2,0,0,0,0|1,0,1]=4 108 B9R0.47 CC(S)C(=O)NCCCO WXVL_AK0073SB2708 [0,2,0,0,0,0|1,0,1]=4 109 B9R0.47 CC(S)C(=O)NCCCO WXVL_AK0073SB2708 [0,2,0,0,0,0|1,0,1]=4 110 B9R0.47 CCCCCC(C)C(=O)N WXVL_AK0084SB0394 [0,2,0,0,0,0|0,0,2]=4 111 B9R0.47 CCCCCC(C)C(=O)N WXVL_AK0084SB0394 [0,2,0,0,0,0|0,0,2]=4 112 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,2,0,0,0,0|1,0,1]=4 113 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,2,0,0,0,0|1,0,1]=4 114 B9R0.47 C[C@@H](O)C(=O)NCCCO WXVL_AK0073SB1085 [0,2,0,0,0,0|1,0,1]=4 115 B9R0.47 C[C@@H](O)C(=O)NCCCO WXVL_AK0073SB1085 [0,2,0,0,0,0|1,0,1]=4 116 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [0,1,0,1,0,0|1,0,1]=4 117 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [0,1,0,1,0,0|1,0,1]=4 118 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [0,1,0,1,0,0|1,0,1]=4 119 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [0,1,0,1,0,0|1,0,1]=4 120 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [0,1,0,1,0,0|1,0,1]=4 121 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [0,1,0,1,0,0|1,0,1]=4 122 B9R1.6 NC(=O)C1CCCCC1 WXVL_AK0084SB0047 [0,1,0,1,0,0|0,0,2]=4 123 B9R1.6 NC(=O)C1CCCCC1 WXVL_AK0084SB0047 [0,1,0,1,0,0|0,0,2]=4 124 B9R1.6 NC(=O)C1CCCCO1 WXVL_AK0084SB0206 [0,1,0,1,0,0|1,0,1]=4 125 B9R1.6 NC(=O)C1CCCCO1 WXVL_AK0084SB0206 [0,1,0,1,0,0|1,0,1]=4 126 B9R1.6 NC(=O)[C@H]1CCCCO1 WXVL_AK0084SB00044 [0,1,0,1,0,0|1,0,1]=4 127 B9R1.6 NC(=O)[C@H]1CCCCO1 WXVL_AK0084SB00044 [0,1,0,1,0,0|1,0,1]=4 128 B9R1.13 NC(=O)CC1CCCC1 WXVL_AK0084SB0044 [0,1,0,1,0,0|0,0,2]=4 129 B9R1.13 NC(=O)CC1CCCC1 WXVL_AK0084SB0044 [0,1,0,1,0,0|0,0,2]=4 130 B9R1.41 CC1CCCC1C(=O)N WXVL_AK0084SB0904 [0,1,0,1,0,0|0,0,2]=4 131 B9R1.41 CC1CCCC1C(=O)N WXVL_AK0084SB0904 [0,1,0,1,0,0|0,0,2]=4 132 B9R1.84 CC(=O)NCC1CCO1 WXVL_AK1433SB0150 [0,1,0,1,0,0|1,0,1]=4 133 B9R1.84 CC(=O)NCC1CCO1 WXVL_AK1433SB0150 [0,1,0,1,0,0|1,0,1]=4 134 B9R1.84 NC(=O)CCC1CCC1 WXVL_AK0084SB8784 [0,1,0,1,0,0|0,0,2]=4 135 B9R1.84 NC(=O)CCC1CCC1 WXVL_AK0084SB8784 [0,1,0,1,0,0|0,0,2]=4 136 B9R1.96 CC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0150 [0,1,0,1,0,0|1,0,1]=4 137 B9R1.96 CC(=O)N1CC[C@H]1CO WXVL_AN3414SB0150 [0,1,0,1,0,0|1,0,1]=4 138 B9R1.96 CC(=O)N1CC[C@H]1CO WXVL_AN3414SB0150 [0,1,0,1,0,0|1,0,1]=4