0 B16R0.274 CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0150 [0,0,0,0,0,0|3,0,0]=3 1 B16R0.274 CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0150 [0,0,0,0,0,0|3,0,0]=3 2 B16R0.274 CCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0577 [0,0,0,0,0,0|1,0,0]=1 3 B16R0.274 CCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0577 [0,0,0,0,0,0|1,0,0]=1 4 B16R0.274 CCCCCCCCCCCCCNC(=O)C WXVL_AK4135SB0150 [0,0,0,0,0,0|2,0,0]=2 5 B16R0.274 CCCCCCCCCCCCCNC(=O)C WXVL_AK4135SB0150 [0,0,0,0,0,0|2,0,0]=2 6 B15R0.164 CCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0562 [1,0,0,0,0,0|1,0,0]=2 7 B15R0.164 CCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0562 [1,0,0,0,0,0|1,0,0]=2 8 B15R0.164 CCCCCCCCCCCCNC(=O)C WXVL_AK1886SB0150 [1,0,0,0,0,0|2,0,0]=3 9 B15R0.164 CCCCCCCCCCCCNC(=O)C WXVL_AK1886SB0150 [1,0,0,0,0,0|2,0,0]=3 10 B17R0.38 CCCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0490 [0,1,0,0,0,0|2,0,1]=4 11 B17R0.38 CCCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0490 [0,1,0,0,0,0|2,0,1]=4 12 B17R0.43 CCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2751 [0,1,0,0,0,0|1,0,0]=2 13 B17R0.43 CCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2751 [0,1,0,0,0,0|1,0,0]=2 14 B17R0.43 CCCCCCCCCCCCCCNC(=O)C WXVL_AK2576SB0150 [0,1,0,0,0,0|1,0,0]=2 15 B17R0.43 CCCCCCCCCCCCCCNC(=O)C WXVL_AK2576SB0150 [0,1,0,0,0,0|1,0,0]=2 16 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB2796 [0,1,0,0,0,0|2,0,1]=4 17 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB2796 [0,1,0,0,0,0|2,0,1]=4 18 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)C WXVL_AK1845SB0072 [0,1,0,0,0,0|2,0,1]=4 19 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)C WXVL_AK1845SB0072 [0,1,0,0,0,0|2,0,1]=4 20 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)N WXVL_AK1845SB0358 [0,1,0,0,0,0|2,0,1]=4 21 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)N WXVL_AK1845SB0358 [0,1,0,0,0,0|2,0,1]=4 22 B17R0.195 C#CC(=O)NCCCCCCCCCCCCC WXVL_AK4135SB0338 [0,1,0,0,0,0|2,0,0]=3 23 B17R0.195 C#CC(=O)NCCCCCCCCCCCCC WXVL_AK4135SB0338 [0,1,0,0,0,0|2,0,0]=3 24 B17R0.195 C#CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0338 [0,1,0,0,0,0|3,0,0]=4 25 B17R0.195 C#CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0338 [0,1,0,0,0,0|3,0,0]=4 26 B17R0.195 CCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0064 [0,1,0,0,0,0|3,0,0]=4 27 B17R0.195 CCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0064 [0,1,0,0,0,0|3,0,0]=4 28 B17R0.195 CCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0577 [0,1,0,0,0,0|1,0,0]=2 29 B17R0.195 CCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0577 [0,1,0,0,0,0|1,0,0]=2 30 B17R0.195 CCCCCCCCCCCCCNC(=O)CC WXVL_AK4135SB0064 [0,1,0,0,0,0|2,0,0]=3 31 B17R0.195 CCCCCCCCCCCCCNC(=O)CC WXVL_AK4135SB0064 [0,1,0,0,0,0|2,0,0]=3 32 B17R0.195 CCCCCCCCCCCCCNC(=O)CO WXVL_AK4135SB2706 [0,1,0,0,0,0|1,0,0]=2 33 B17R0.195 CCCCCCCCCCCCCNC(=O)CO WXVL_AK4135SB2706 [0,1,0,0,0,0|1,0,0]=2 34 B17R0.195 O=C(CO)NCCCCCCCCCCCCO WXVL_AK3055SB2706 [0,1,0,0,0,0|2,0,0]=3 35 B17R0.195 O=C(CO)NCCCCCCCCCCCCO WXVL_AK3055SB2706 [0,1,0,0,0,0|2,0,0]=3 36 B17R0.14245 CCCCCCCCCCCCNC(=O)C(=O)C WXVL_AK1886SB0051 [0,1,0,0,0,0|2,0,1]=4 37 B17R0.14245 CCCCCCCCCCCCNC(=O)C(=O)C WXVL_AK1886SB0051 [0,1,0,0,0,0|2,0,1]=4 38 B17R0.14245 CCCCCCCCCCCCNC(=O)C(=O)N WXVL_AK1886SB0128 [0,1,0,0,0,0|2,0,1]=4 39 B17R0.14245 CCCCCCCCCCCCNC(=O)C(=O)N WXVL_AK1886SB0128 [0,1,0,0,0,0|2,0,1]=4 40 B14R0.394 CCCCCCCCCCCCC(=O)N WXVL_AK0084SB0547 [2,0,0,0,0,0|1,0,0]=3 41 B14R0.394 CCCCCCCCCCCCC(=O)N WXVL_AK0084SB0547 [2,0,0,0,0,0|1,0,0]=3 42 B14R0.394 NC(=O)CCCCCCCCCCCBr WXVL_AK0084SB0603 [2,0,0,0,0,0|2,0,0]=4 43 B14R0.394 NC(=O)CCCCCCCCCCCBr WXVL_AK0084SB0603 [2,0,0,0,0,0|2,0,0]=4 44 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB2796 [0,2,0,0,0,0|1,0,1]=4 45 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB2796 [0,2,0,0,0,0|1,0,1]=4 46 B18R0.171 C#CC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB0338 [0,2,0,0,0,0|1,0,0]=3 47 B18R0.171 C#CC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB0338 [0,2,0,0,0,0|1,0,0]=3 48 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2751 [0,2,0,0,0,0|1,0,0]=3 49 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2751 [0,2,0,0,0,0|1,0,0]=3 50 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC WXVL_AK2576SB0064 [0,2,0,0,0,0|1,0,0]=3 51 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC WXVL_AK2576SB0064 [0,2,0,0,0,0|1,0,0]=3 52 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO WXVL_AK2576SB2706 [0,2,0,0,0,0|0,0,0]=2 53 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO WXVL_AK2576SB2706 [0,2,0,0,0,0|0,0,0]=2 54 B18R0.174 C=C(F)C(=O)NCCCCCCCCCCCCC WXVL_AK4135SB1376 [0,2,0,0,0,0|2,0,0]=4 55 B18R0.174 C=C(F)C(=O)NCCCCCCCCCCCCC WXVL_AK4135SB1376 [0,2,0,0,0,0|2,0,0]=4 56 B18R0.174 CCCCCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0577 [0,2,0,0,0,0|1,0,0]=3 57 B18R0.174 CCCCCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0577 [0,2,0,0,0,0|1,0,0]=3 58 B18R0.174 CCCCCCCCCCCCCNC(=O)C(=O)C WXVL_AK4135SB0051 [0,2,0,0,0,0|1,0,1]=4 59 B18R0.174 CCCCCCCCCCCCCNC(=O)C(=O)C WXVL_AK4135SB0051 [0,2,0,0,0,0|1,0,1]=4 60 B18R0.174 CCCCCCCCCCCCCNC(=O)C(=O)N WXVL_AK4135SB0128 [0,2,0,0,0,0|1,0,1]=4 61 B18R0.174 CCCCCCCCCCCCCNC(=O)C(=O)N WXVL_AK4135SB0128 [0,2,0,0,0,0|1,0,1]=4 62 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)C WXVL_AK4135SB0052 [0,2,0,0,0,0|2,0,0]=4 63 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)C WXVL_AK4135SB0052 [0,2,0,0,0,0|2,0,0]=4 64 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)S WXVL_AK4135SB2708 [0,2,0,0,0,0|1,1,0]=4 65 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)S WXVL_AK4135SB2708 [0,2,0,0,0,0|1,1,0]=4 66 B18R0.174 CCCCCCCCCCCCCNC(=O)C(F)F WXVL_AK4135SB0079 [0,2,0,0,0,0|2,0,0]=4 67 B18R0.174 CCCCCCCCCCCCCNC(=O)C(F)F WXVL_AK4135SB0079 [0,2,0,0,0,0|2,0,0]=4 68 B18R0.174 CCCCCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK4135SB1085 [0,2,0,0,0,0|1,0,0]=3 69 B18R0.174 CCCCCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK4135SB1085 [0,2,0,0,0,0|1,0,0]=3 70 B18R0.174 C[C@@H](O)C(=O)NCCCCCCCCCCCCO WXVL_AK3055SB1085 [0,2,0,0,0,0|2,0,0]=4 71 B18R0.174 C[C@@H](O)C(=O)NCCCCCCCCCCCCO WXVL_AK3055SB1085 [0,2,0,0,0,0|2,0,0]=4 72 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2735 [0,2,0,0,0,0|1,0,0]=3 73 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2735 [0,2,0,0,0,0|1,0,0]=3 74 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C WXVL_AK1866SB0150 [0,2,0,0,0,0|1,0,0]=3 75 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C WXVL_AK1866SB0150 [0,2,0,0,0,0|1,0,0]=3 76 B18R0.19183 CCCCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0547 [0,2,0,0,0,0|1,0,1]=4 77 B18R0.19183 CCCCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0547 [0,2,0,0,0,0|1,0,1]=4 78 B18R0.19335 CCCCCCCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB0393 [0,2,0,0,0,0|1,0,1]=4 79 B18R0.19335 CCCCCCCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB0393 [0,2,0,0,0,0|1,0,1]=4 80 B18R0.19335 CCCCCCNC(=O)CCCCCCC(=O)OC WXVL_AK0286SB3124 [0,2,0,0,0,0|1,0,1]=4 81 B18R0.19335 CCCCCCNC(=O)CCCCCCC(=O)OC WXVL_AK0286SB3124 [0,2,0,0,0,0|1,0,1]=4 82 B18R0.7795 CCCCCCCCCCNC(=O)CCC(=O)OC WXVL_AK1845SB0069 [0,2,0,0,0,0|1,0,1]=4 83 B18R0.7795 CCCCCCCCCCNC(=O)CCC(=O)OC WXVL_AK1845SB0069 [0,2,0,0,0,0|1,0,1]=4 84 B18R0.110 C#CCC(=O)NCCCCCCCCCCCCC WXVL_AK4135SB3070 [0,2,0,0,0,0|2,0,0]=4 85 B18R0.110 C#CCC(=O)NCCCCCCCCCCCCC WXVL_AK4135SB3070 [0,2,0,0,0,0|2,0,0]=4 86 B18R0.110 C/C=C/C(=O)NCCCCCCCCCCCCC WXVL_AK4135SB0340 [0,2,0,0,0,0|2,0,0]=4 87 B18R0.110 C/C=C/C(=O)NCCCCCCCCCCCCC WXVL_AK4135SB0340 [0,2,0,0,0,0|2,0,0]=4 88 B18R0.110 C=CCC(=O)NCCCCCCCCCCCCC WXVL_AK4135SB2732 [0,2,0,0,0,0|2,0,0]=4 89 B18R0.110 C=CCC(=O)NCCCCCCCCCCCCC WXVL_AK4135SB2732 [0,2,0,0,0,0|2,0,0]=4 90 B18R0.110 CC#CC(=O)NCCCCCCCCCCCCC WXVL_AK4135SB1240 [0,2,0,0,0,0|2,0,0]=4 91 B18R0.110 CC#CC(=O)NCCCCCCCCCCCCC WXVL_AK4135SB1240 [0,2,0,0,0,0|2,0,0]=4 92 B18R0.110 CCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0577 [0,2,0,0,0,0|1,0,0]=3 93 B18R0.110 CCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0577 [0,2,0,0,0,0|1,0,0]=3 94 B18R0.110 CCCCCCCCCCCCCNC(=O)CC#N WXVL_AK4135SB0057 [0,2,0,0,0,0|2,0,0]=4 95 B18R0.110 CCCCCCCCCCCCCNC(=O)CC#N WXVL_AK4135SB0057 [0,2,0,0,0,0|2,0,0]=4 96 B18R0.110 CCCCCCCCCCCCCNC(=O)CCC WXVL_AK4135SB0073 [0,2,0,0,0,0|2,0,0]=4 97 B18R0.110 CCCCCCCCCCCCCNC(=O)CCC WXVL_AK4135SB0073 [0,2,0,0,0,0|2,0,0]=4 98 B18R0.110 CCCCCCCCCCCCCNC(=O)COC WXVL_AK4135SB0090 [0,2,0,0,0,0|1,0,0]=3 99 B18R0.110 CCCCCCCCCCCCCNC(=O)COC WXVL_AK4135SB0090 [0,2,0,0,0,0|1,0,0]=3 100 B18R0.110 CCCCCCCCCCCCCNC(=O)CSC WXVL_AK4135SB1267 [0,2,0,0,0,0|1,1,0]=4 101 B18R0.110 CCCCCCCCCCCCCNC(=O)CSC WXVL_AK4135SB1267 [0,2,0,0,0,0|1,1,0]=4 102 B18R0.110 COCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0090 [0,2,0,0,0,0|2,0,0]=4 103 B18R0.110 COCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0090 [0,2,0,0,0,0|2,0,0]=4 104 B18R0.11627 CCCCCCCCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0447 [0,2,0,0,0,0|1,0,1]=4 105 B18R0.11627 CCCCCCCCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0447 [0,2,0,0,0,0|1,0,1]=4 106 B18R0.11627 CCCCCCCCNC(=O)CCCCC(=O)OC WXVL_AK1818SB1209 [0,2,0,0,0,0|1,0,1]=4 107 B18R0.11627 CCCCCCCCNC(=O)CCCCC(=O)OC WXVL_AK1818SB1209 [0,2,0,0,0,0|1,0,1]=4