0 B17R0.43 CCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2751 [0,0,0,0,0,0|1,0,0]=1 1 B17R0.43 CCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2751 [0,0,0,0,0,0|1,0,0]=1 2 B17R0.43 CCCCCCCCCCCCCCNC(=O)C WXVL_AK2576SB0150 [0,0,0,0,0,0|2,0,0]=2 3 B17R0.43 CCCCCCCCCCCCCCNC(=O)C WXVL_AK2576SB0150 [0,0,0,0,0,0|2,0,0]=2 4 B16R0.274 CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0150 [1,0,0,0,0,0|3,0,0]=4 5 B16R0.274 CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0150 [1,0,0,0,0,0|3,0,0]=4 6 B16R0.274 CCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0577 [1,0,0,0,0,0|1,0,0]=2 7 B16R0.274 CCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0577 [1,0,0,0,0,0|1,0,0]=2 8 B16R0.274 CCCCCCCCCCCCCNC(=O)C WXVL_AK4135SB0150 [1,0,0,0,0,0|2,0,0]=3 9 B16R0.274 CCCCCCCCCCCCCNC(=O)C WXVL_AK4135SB0150 [1,0,0,0,0,0|2,0,0]=3 10 B18R0.171 C#CC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB0338 [0,1,0,0,0,0|2,0,0]=3 11 B18R0.171 C#CC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB0338 [0,1,0,0,0,0|2,0,0]=3 12 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2751 [0,1,0,0,0,0|1,0,0]=2 13 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2751 [0,1,0,0,0,0|1,0,0]=2 14 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC WXVL_AK2576SB0064 [0,1,0,0,0,0|2,0,0]=3 15 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC WXVL_AK2576SB0064 [0,1,0,0,0,0|2,0,0]=3 16 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO WXVL_AK2576SB2706 [0,1,0,0,0,0|1,0,0]=2 17 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO WXVL_AK2576SB2706 [0,1,0,0,0,0|1,0,0]=2 18 B18R0.174 CCCCCCCCCCCCCNC(=O)C(=O)C WXVL_AK4135SB0051 [0,1,0,0,0,0|2,0,1]=4 19 B18R0.174 CCCCCCCCCCCCCNC(=O)C(=O)C WXVL_AK4135SB0051 [0,1,0,0,0,0|2,0,1]=4 20 B18R0.174 CCCCCCCCCCCCCNC(=O)C(=O)N WXVL_AK4135SB0128 [0,1,0,0,0,0|2,0,1]=4 21 B18R0.174 CCCCCCCCCCCCCNC(=O)C(=O)N WXVL_AK4135SB0128 [0,1,0,0,0,0|2,0,1]=4 22 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2735 [0,1,0,0,0,0|1,0,0]=2 23 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2735 [0,1,0,0,0,0|1,0,0]=2 24 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C WXVL_AK1866SB0150 [0,1,0,0,0,0|1,0,0]=2 25 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C WXVL_AK1866SB0150 [0,1,0,0,0,0|1,0,0]=2 26 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB2796 [0,1,0,0,0,0|2,0,1]=4 27 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB2796 [0,1,0,0,0,0|2,0,1]=4 28 B18R0.19183 CCCCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0547 [0,1,0,0,0,0|2,0,1]=4 29 B18R0.19183 CCCCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0547 [0,1,0,0,0,0|2,0,1]=4 30 B15R0.164 CCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0562 [2,0,0,0,0,0|1,0,0]=3 31 B15R0.164 CCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0562 [2,0,0,0,0,0|1,0,0]=3 32 B15R0.164 CCCCCCCCCCCCNC(=O)C WXVL_AK1886SB0150 [2,0,0,0,0,0|2,0,0]=4 33 B15R0.164 CCCCCCCCCCCCNC(=O)C WXVL_AK1886SB0150 [2,0,0,0,0,0|2,0,0]=4 34 B17R0.195 C#CC(=O)NCCCCCCCCCCCCC WXVL_AK4135SB0338 [1,1,0,0,0,0|2,0,0]=4 35 B17R0.195 C#CC(=O)NCCCCCCCCCCCCC WXVL_AK4135SB0338 [1,1,0,0,0,0|2,0,0]=4 36 B17R0.195 CCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0577 [1,1,0,0,0,0|1,0,0]=3 37 B17R0.195 CCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0577 [1,1,0,0,0,0|1,0,0]=3 38 B17R0.195 CCCCCCCCCCCCCNC(=O)CC WXVL_AK4135SB0064 [1,1,0,0,0,0|2,0,0]=4 39 B17R0.195 CCCCCCCCCCCCCNC(=O)CC WXVL_AK4135SB0064 [1,1,0,0,0,0|2,0,0]=4 40 B17R0.195 CCCCCCCCCCCCCNC(=O)CO WXVL_AK4135SB2706 [1,1,0,0,0,0|1,0,0]=3 41 B17R0.195 CCCCCCCCCCCCCNC(=O)CO WXVL_AK4135SB2706 [1,1,0,0,0,0|1,0,0]=3 42 B17R0.195 O=C(CO)NCCCCCCCCCCCCO WXVL_AK3055SB2706 [1,1,0,0,0,0|2,0,0]=4 43 B17R0.195 O=C(CO)NCCCCCCCCCCCCO WXVL_AK3055SB2706 [1,1,0,0,0,0|2,0,0]=4 44 B19R0.65 CCCCCCCCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB0409 [0,2,0,0,0,0|1,0,1]=4 45 B19R0.65 CCCCCCCCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB0409 [0,2,0,0,0,0|1,0,1]=4 46 B19R0.148 C#CC(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB0338 [0,2,0,0,0,0|1,0,0]=3 47 B19R0.148 C#CC(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB0338 [0,2,0,0,0,0|1,0,0]=3 48 B19R0.148 CCCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2735 [0,2,0,0,0,0|1,0,0]=3 49 B19R0.148 CCCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2735 [0,2,0,0,0,0|1,0,0]=3 50 B19R0.148 CCCCCCCCCCCCCCCNC(=O)CC WXVL_AK1866SB0064 [0,2,0,0,0,0|1,0,0]=3 51 B19R0.148 CCCCCCCCCCCCCCCNC(=O)CC WXVL_AK1866SB0064 [0,2,0,0,0,0|1,0,0]=3 52 B19R0.148 CCCCCCCCCCCCCCCNC(=O)CO WXVL_AK1866SB2706 [0,2,0,0,0,0|0,0,0]=2 53 B19R0.148 CCCCCCCCCCCCCCCNC(=O)CO WXVL_AK1866SB2706 [0,2,0,0,0,0|0,0,0]=2 54 B19R0.153 C=C(F)C(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB1376 [0,2,0,0,0,0|2,0,0]=4 55 B19R0.153 C=C(F)C(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB1376 [0,2,0,0,0,0|2,0,0]=4 56 B19R0.153 CCCCCCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB2751 [0,2,0,0,0,0|1,0,0]=3 57 B19R0.153 CCCCCCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB2751 [0,2,0,0,0,0|1,0,0]=3 58 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(=O)C WXVL_AK2576SB0051 [0,2,0,0,0,0|1,0,1]=4 59 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(=O)C WXVL_AK2576SB0051 [0,2,0,0,0,0|1,0,1]=4 60 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(=O)N WXVL_AK2576SB0128 [0,2,0,0,0,0|1,0,1]=4 61 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(=O)N WXVL_AK2576SB0128 [0,2,0,0,0,0|1,0,1]=4 62 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)C WXVL_AK2576SB0052 [0,2,0,0,0,0|2,0,0]=4 63 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)C WXVL_AK2576SB0052 [0,2,0,0,0,0|2,0,0]=4 64 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)S WXVL_AK2576SB2708 [0,2,0,0,0,0|1,1,0]=4 65 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)S WXVL_AK2576SB2708 [0,2,0,0,0,0|1,1,0]=4 66 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(F)F WXVL_AK2576SB0079 [0,2,0,0,0,0|2,0,0]=4 67 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(F)F WXVL_AK2576SB0079 [0,2,0,0,0,0|2,0,0]=4 68 B19R0.153 CCCCCCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK2576SB1085 [0,2,0,0,0,0|1,0,0]=3 69 B19R0.153 CCCCCCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK2576SB1085 [0,2,0,0,0,0|1,0,0]=3 70 B19R0.182 C#CCC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB3070 [0,2,0,0,0,0|2,0,0]=4 71 B19R0.182 C#CCC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB3070 [0,2,0,0,0,0|2,0,0]=4 72 B19R0.182 C/C=C/C(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB0340 [0,2,0,0,0,0|2,0,0]=4 73 B19R0.182 C/C=C/C(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB0340 [0,2,0,0,0,0|2,0,0]=4 74 B19R0.182 C=CCC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB2732 [0,2,0,0,0,0|2,0,0]=4 75 B19R0.182 C=CCC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB2732 [0,2,0,0,0,0|2,0,0]=4 76 B19R0.182 CC#CC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB1240 [0,2,0,0,0,0|2,0,0]=4 77 B19R0.182 CC#CC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB1240 [0,2,0,0,0,0|2,0,0]=4 78 B19R0.182 CCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2751 [0,2,0,0,0,0|1,0,0]=3 79 B19R0.182 CCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2751 [0,2,0,0,0,0|1,0,0]=3 80 B19R0.182 CCCCCCCCCCCCCCNC(=O)CC#N WXVL_AK2576SB0057 [0,2,0,0,0,0|2,0,0]=4 81 B19R0.182 CCCCCCCCCCCCCCNC(=O)CC#N WXVL_AK2576SB0057 [0,2,0,0,0,0|2,0,0]=4 82 B19R0.182 CCCCCCCCCCCCCCNC(=O)CCC WXVL_AK2576SB0073 [0,2,0,0,0,0|2,0,0]=4 83 B19R0.182 CCCCCCCCCCCCCCNC(=O)CCC WXVL_AK2576SB0073 [0,2,0,0,0,0|2,0,0]=4 84 B19R0.182 CCCCCCCCCCCCCCNC(=O)COC WXVL_AK2576SB0090 [0,2,0,0,0,0|1,0,0]=3 85 B19R0.182 CCCCCCCCCCCCCCNC(=O)COC WXVL_AK2576SB0090 [0,2,0,0,0,0|1,0,0]=3 86 B19R0.182 CCCCCCCCCCCCCCNC(=O)CSC WXVL_AK2576SB1267 [0,2,0,0,0,0|1,1,0]=4 87 B19R0.182 CCCCCCCCCCCCCCNC(=O)CSC WXVL_AK2576SB1267 [0,2,0,0,0,0|1,1,0]=4 88 B19R0.3054 CCCCCCCC(=O)NCCCCCCC(=O)OC WXVL_AK00211SB0393 [0,2,0,0,0,0|1,0,1]=4 89 B19R0.3054 CCCCCCCC(=O)NCCCCCCC(=O)OC WXVL_AK00211SB0393 [0,2,0,0,0,0|1,0,1]=4 90 B19R0.3096 CCCCCCCCCCCCNC(=O)CC(=O)OC WXVL_AK1886SB2790 [0,2,0,0,0,0|1,0,1]=4 91 B19R0.3096 CCCCCCCCCCCCNC(=O)CC(=O)OC WXVL_AK1886SB2790 [0,2,0,0,0,0|1,0,1]=4 92 B19R0.23235 CCCCCCCCCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0490 [0,2,0,0,0,0|1,0,1]=4 93 B19R0.23235 CCCCCCCCCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0490 [0,2,0,0,0,0|1,0,1]=4 94 B19R0.23235 CCCCCCCCCNC(=O)CCCCC(=O)OC WXVL_AK1826SB1209 [0,2,0,0,0,0|1,0,1]=4 95 B19R0.23235 CCCCCCCCCNC(=O)CCCCC(=O)OC WXVL_AK1826SB1209 [0,2,0,0,0,0|1,0,1]=4 96 B19R0.92 CCCCCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0547 [0,2,0,0,0,0|1,0,1]=4 97 B19R0.92 CCCCCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0547 [0,2,0,0,0,0|1,0,1]=4 98 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0773 [0,2,0,0,0,0|1,0,0]=3 99 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0773 [0,2,0,0,0,0|1,0,0]=3 100 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)C WXVL_AK2294SB0150 [0,2,0,0,0,0|1,0,0]=3 101 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)C WXVL_AK2294SB0150 [0,2,0,0,0,0|1,0,0]=3 102 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0562 [0,2,0,0,0,0|1,0,1]=4 103 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0562 [0,2,0,0,0,0|1,0,1]=4 104 B19R0.157 CCCCCCCCCCCCNC(=O)CCC(=O)C WXVL_AK1886SB0072 [0,2,0,0,0,0|1,0,1]=4 105 B19R0.157 CCCCCCCCCCCCNC(=O)CCC(=O)C WXVL_AK1886SB0072 [0,2,0,0,0,0|1,0,1]=4 106 B19R0.157 CCCCCCCCCCCCNC(=O)CCC(=O)N WXVL_AK1886SB0358 [0,2,0,0,0,0|1,0,1]=4 107 B19R0.157 CCCCCCCCCCCCNC(=O)CCC(=O)N WXVL_AK1886SB0358 [0,2,0,0,0,0|1,0,1]=4