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|2,0,1]=4 5 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,0,0,0,0|2,0,1]=4 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 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [0,1,0,0,0,0|1,0,2]=4 17 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [0,1,0,0,0,0|1,0,2]=4 18 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,1,0,0,0,0|2,0,0]=4 21 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,1,0,0,0,0|2,0,0]=4 22 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [1,1,0,0,0,0|1,0,1]=4 23 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [1,1,0,0,0,0|1,0,1]=4 24 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [1,1,0,0,0,0|1,0,1]=4 25 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [1,1,0,0,0,0|1,0,1]=4 26 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [1,1,0,0,0,0|1,0,1]=4 27 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [1,1,0,0,0,0|1,0,1]=4 28 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,1,0,0,0,0|1,0,1]=4 29 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,1,0,0,0,0|1,0,1]=4 30 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|1,0,1]=4 31 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|1,0,1]=4 32 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [0,2,0,0,0,0|2,0,0]=4 33 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [0,2,0,0,0,0|2,0,0]=4 34 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,2,0,0,0,0|1,0,1]=4 35 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,2,0,0,0,0|1,0,1]=4 36 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,2,0,0,0,0|2,0,0]=4 37 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,2,0,0,0,0|2,0,0]=4 38 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|1,0,1]=4 39 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|1,0,1]=4 40 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [0,2,0,0,0,0|2,0,0]=4 41 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [0,2,0,0,0,0|2,0,0]=4 42 B9R0.34 CCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0073 [0,2,0,0,0,0|1,0,1]=4 43 B9R0.34 CCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0073 [0,2,0,0,0,0|1,0,1]=4 44 B9R0.34 CCC[C@H](C)NC(=O)CO WXVL_AK00682SB2706 [0,2,0,0,0,0|1,0,1]=4 45 B9R0.34 CCC[C@H](C)NC(=O)CO WXVL_AK00682SB2706 [0,2,0,0,0,0|1,0,1]=4 46 B9R0.35 CCCC(=O)N(C)CCO WXVL_AN2670SB0073 [0,2,0,0,0,0|1,0,1]=4 47 B9R0.35 CCCC(=O)N(C)CCO WXVL_AN2670SB0073 [0,2,0,0,0,0|1,0,1]=4 48 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [0,2,0,0,0,0|1,0,1]=4 49 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [0,2,0,0,0,0|1,0,1]=4 50 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [0,2,0,0,0,0|1,0,1]=4 51 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [0,2,0,0,0,0|1,0,1]=4 52 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [0,2,0,0,0,0|1,0,1]=4 53 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [0,2,0,0,0,0|1,0,1]=4 54 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [0,2,0,0,0,0|1,0,1]=4 55 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [0,2,0,0,0,0|1,0,1]=4 56 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [0,2,0,0,0,0|1,0,1]=4 57 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [0,2,0,0,0,0|1,0,1]=4 58 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,2,0,0,0,0|1,0,1]=4 59 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,2,0,0,0,0|1,0,1]=4 60 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,2,0,0,0,0|1,0,1]=4 61 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,2,0,0,0,0|1,0,1]=4 62 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,2,0,0,0,0|1,0,1]=4 63 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,2,0,0,0,0|1,0,1]=4 64 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,2,0,0,0,0|1,0,1]=4 65 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,2,0,0,0,0|1,0,1]=4 66 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [0,2,0,0,0,0|1,0,1]=4 67 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [0,2,0,0,0,0|1,0,1]=4 68 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,2,0,0,0,0|1,0,1]=4 69 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,2,0,0,0,0|1,0,1]=4 70 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,2,0,0,0,0|1,0,1]=4 71 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,2,0,0,0,0|1,0,1]=4 72 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,2,0,0,0,0|1,0,1]=4 73 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,2,0,0,0,0|1,0,1]=4 74 B9R0.1 CC(C)CCNC(=O)CO WXVL_AK0068SB2706 [0,2,0,0,0,0|1,0,1]=4 75 B9R0.1 CC(C)CCNC(=O)CO WXVL_AK0068SB2706 [0,2,0,0,0,0|1,0,1]=4 76 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,2,0,0,0,0|1,0,1]=4 77 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,2,0,0,0,0|1,0,1]=4 78 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [0,1,0,1,0,0|1,0,1]=4 79 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [0,1,0,1,0,0|1,0,1]=4 80 B9R1.6 NC(=O)C1CCCCO1 WXVL_AK0084SB0206 [0,1,0,1,0,0|0,0,2]=4 81 B9R1.6 NC(=O)C1CCCCO1 WXVL_AK0084SB0206 [0,1,0,1,0,0|0,0,2]=4 82 B9R1.6 NC(=O)[C@H]1CCCCO1 WXVL_AK0084SB00044 [0,1,0,1,0,0|0,0,2]=4 83 B9R1.6 NC(=O)[C@H]1CCCCO1 WXVL_AK0084SB00044 [0,1,0,1,0,0|0,0,2]=4