0 B15R0.164 CCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0562 [0,0,0,0,0,0|1,0,0]=1 1 B15R0.164 CCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0562 [0,0,0,0,0,0|1,0,0]=1 2 B15R0.164 CCCCCCCCCCCCNC(=O)C WXVL_AK1886SB0150 [0,0,0,0,0,0|2,0,0]=2 3 B15R0.164 CCCCCCCCCCCCNC(=O)C WXVL_AK1886SB0150 [0,0,0,0,0,0|2,0,0]=2 4 B14R0.394 CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0150 [1,0,0,0,0,0|3,0,0]=4 5 B14R0.394 CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0150 [1,0,0,0,0,0|3,0,0]=4 6 B14R0.394 CCCCCCCCCCCCC(=O)N WXVL_AK0084SB0547 [1,0,0,0,0,0|1,0,0]=2 7 B14R0.394 CCCCCCCCCCCCC(=O)N WXVL_AK0084SB0547 [1,0,0,0,0,0|1,0,0]=2 8 B14R0.394 NC(=O)CCCCCCCCCCCBr WXVL_AK0084SB0603 [1,0,0,0,0,0|2,0,0]=3 9 B14R0.394 NC(=O)CCCCCCCCCCCBr WXVL_AK0084SB0603 [1,0,0,0,0,0|2,0,0]=3 10 B16R0.221 C#CC(=O)NCCCCCCCCCCCC WXVL_AK1886SB0338 [0,1,0,0,0,0|2,0,0]=3 11 B16R0.221 C#CC(=O)NCCCCCCCCCCCC WXVL_AK1886SB0338 [0,1,0,0,0,0|2,0,0]=3 12 B16R0.221 CCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0562 [0,1,0,0,0,0|1,0,0]=2 13 B16R0.221 CCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0562 [0,1,0,0,0,0|1,0,0]=2 14 B16R0.221 CCCCCCCCCCCCNC(=O)CC WXVL_AK1886SB0064 [0,1,0,0,0,0|2,0,0]=3 15 B16R0.221 CCCCCCCCCCCCNC(=O)CC WXVL_AK1886SB0064 [0,1,0,0,0,0|2,0,0]=3 16 B16R0.221 CCCCCCCCCCCCNC(=O)CO WXVL_AK1886SB2706 [0,1,0,0,0,0|1,0,0]=2 17 B16R0.221 CCCCCCCCCCCCNC(=O)CO WXVL_AK1886SB2706 [0,1,0,0,0,0|1,0,0]=2 18 B16R0.221 CCCCCCCCCCCCNC(=O)NC WXVL_AK00442YV0205 [0,1,0,0,0,0|2,0,0]=3 19 B16R0.221 CCCCCCCCCCCCNC(=O)NC WXVL_AK00442YV0205 [0,1,0,0,0,0|2,0,0]=3 20 B16R0.274 CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0150 [0,1,0,0,0,0|2,0,0]=3 21 B16R0.274 CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0150 [0,1,0,0,0,0|2,0,0]=3 22 B16R0.274 CCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0577 [0,1,0,0,0,0|1,0,0]=2 23 B16R0.274 CCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0577 [0,1,0,0,0,0|1,0,0]=2 24 B16R0.274 CCCCCCCCCCCCCNC(=O)C WXVL_AK4135SB0150 [0,1,0,0,0,0|1,0,0]=2 25 B16R0.274 CCCCCCCCCCCCCNC(=O)C WXVL_AK4135SB0150 [0,1,0,0,0,0|1,0,0]=2 26 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0447 [0,1,0,0,0,0|2,0,1]=4 27 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0447 [0,1,0,0,0,0|2,0,1]=4 28 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0490 [0,1,0,0,0,0|2,0,1]=4 29 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0490 [0,1,0,0,0,0|2,0,1]=4 30 B16R0.3183 CCCCCCCCCNC(=O)CCC(=O)C WXVL_AK1826SB0072 [0,1,0,0,0,0|2,0,1]=4 31 B16R0.3183 CCCCCCCCCNC(=O)CCC(=O)C WXVL_AK1826SB0072 [0,1,0,0,0,0|2,0,1]=4 32 B16R0.3183 CCCCCCCCCNC(=O)CCC(=O)N WXVL_AK1826SB0358 [0,1,0,0,0,0|2,0,1]=4 33 B16R0.3183 CCCCCCCCCNC(=O)CCC(=O)N WXVL_AK1826SB0358 [0,1,0,0,0,0|2,0,1]=4 34 B13R0.54 CCCCCCCCCCCC(=O)N WXVL_AK0084SB2796 [2,0,0,0,0,0|1,0,0]=3 35 B13R0.54 CCCCCCCCCCCC(=O)N WXVL_AK0084SB2796 [2,0,0,0,0,0|1,0,0]=3 36 B13R0.54 CCCCCCCCCCNC(=O)C WXVL_AK1845SB0150 [2,0,0,0,0,0|2,0,0]=4 37 B13R0.54 CCCCCCCCCCNC(=O)C WXVL_AK1845SB0150 [2,0,0,0,0,0|2,0,0]=4 38 B15R0.252 CCCCCCCCCCCCS(=O)(=O)N WXVL_AK0084HU0325 [1,1,0,0,0,0|1,0,1]=4 39 B15R0.252 CCCCCCCCCCCCS(=O)(=O)N WXVL_AK0084HU0325 [1,1,0,0,0,0|1,0,1]=4 40 B17R0.133 CCCCCNC(=O)CCCCCCC(=O)OC WXVL_AK0076SB3124 [0,2,0,0,0,0|1,0,1]=4 41 B17R0.133 CCCCCNC(=O)CCCCCCC(=O)OC WXVL_AK0076SB3124 [0,2,0,0,0,0|1,0,1]=4 42 B17R0.97 CCCCCCCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0409 [0,2,0,0,0,0|1,0,1]=4 43 B17R0.97 CCCCCCCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0409 [0,2,0,0,0,0|1,0,1]=4 44 B17R0.195 C#CC(=O)NCCCCCCCCCCCCC WXVL_AK4135SB0338 [0,2,0,0,0,0|1,0,0]=3 45 B17R0.195 C#CC(=O)NCCCCCCCCCCCCC WXVL_AK4135SB0338 [0,2,0,0,0,0|1,0,0]=3 46 B17R0.195 C#CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0338 [0,2,0,0,0,0|2,0,0]=4 47 B17R0.195 C#CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0338 [0,2,0,0,0,0|2,0,0]=4 48 B17R0.195 CCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0064 [0,2,0,0,0,0|2,0,0]=4 49 B17R0.195 CCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0064 [0,2,0,0,0,0|2,0,0]=4 50 B17R0.195 CCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0577 [0,2,0,0,0,0|1,0,0]=3 51 B17R0.195 CCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0577 [0,2,0,0,0,0|1,0,0]=3 52 B17R0.195 CCCCCCCCCCCCCNC(=O)CC WXVL_AK4135SB0064 [0,2,0,0,0,0|1,0,0]=3 53 B17R0.195 CCCCCCCCCCCCCNC(=O)CC WXVL_AK4135SB0064 [0,2,0,0,0,0|1,0,0]=3 54 B17R0.195 CCCCCCCCCCCCCNC(=O)CO WXVL_AK4135SB2706 [0,2,0,0,0,0|0,0,0]=2 55 B17R0.195 CCCCCCCCCCCCCNC(=O)CO WXVL_AK4135SB2706 [0,2,0,0,0,0|0,0,0]=2 56 B17R0.195 O=C(CO)NCCCCCCCCCCCCO WXVL_AK3055SB2706 [0,2,0,0,0,0|1,0,0]=3 57 B17R0.195 O=C(CO)NCCCCCCCCCCCCO WXVL_AK3055SB2706 [0,2,0,0,0,0|1,0,0]=3 58 B17R0.250 C#CCC(=O)NCCCCCCCCCCCC WXVL_AK1886SB3070 [0,2,0,0,0,0|2,0,0]=4 59 B17R0.250 C#CCC(=O)NCCCCCCCCCCCC WXVL_AK1886SB3070 [0,2,0,0,0,0|2,0,0]=4 60 B17R0.250 C/C=C/C(=O)NCCCCCCCCCCCC WXVL_AK1886SB0340 [0,2,0,0,0,0|2,0,0]=4 61 B17R0.250 C/C=C/C(=O)NCCCCCCCCCCCC WXVL_AK1886SB0340 [0,2,0,0,0,0|2,0,0]=4 62 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC WXVL_AK1886SB2732 [0,2,0,0,0,0|2,0,0]=4 63 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC WXVL_AK1886SB2732 [0,2,0,0,0,0|2,0,0]=4 64 B17R0.250 CC#CC(=O)NCCCCCCCCCCCC WXVL_AK1886SB1240 [0,2,0,0,0,0|2,0,0]=4 65 B17R0.250 CC#CC(=O)NCCCCCCCCCCCC WXVL_AK1886SB1240 [0,2,0,0,0,0|2,0,0]=4 66 B17R0.250 CCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0562 [0,2,0,0,0,0|1,0,0]=3 67 B17R0.250 CCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0562 [0,2,0,0,0,0|1,0,0]=3 68 B17R0.250 CCCCCCCCCCCCNC(=O)CC#N WXVL_AK1886SB0057 [0,2,0,0,0,0|2,0,0]=4 69 B17R0.250 CCCCCCCCCCCCNC(=O)CC#N WXVL_AK1886SB0057 [0,2,0,0,0,0|2,0,0]=4 70 B17R0.250 CCCCCCCCCCCCNC(=O)CCC WXVL_AK1886SB0073 [0,2,0,0,0,0|2,0,0]=4 71 B17R0.250 CCCCCCCCCCCCNC(=O)CCC WXVL_AK1886SB0073 [0,2,0,0,0,0|2,0,0]=4 72 B17R0.250 CCCCCCCCCCCCNC(=O)COC WXVL_AK1886SB0090 [0,2,0,0,0,0|1,0,0]=3 73 B17R0.250 CCCCCCCCCCCCNC(=O)COC WXVL_AK1886SB0090 [0,2,0,0,0,0|1,0,0]=3 74 B17R0.250 CCCCCCCCCCCCNC(=O)CSC WXVL_AK1886SB1267 [0,2,0,0,0,0|1,1,0]=4 75 B17R0.250 CCCCCCCCCCCCNC(=O)CSC WXVL_AK1886SB1267 [0,2,0,0,0,0|1,1,0]=4 76 B17R0.250 CCCCCCCCCCCCNC(=O)NCC WXVL_AK00476YV0205 [0,2,0,0,0,0|2,0,0]=4 77 B17R0.250 CCCCCCCCCCCCNC(=O)NCC WXVL_AK00476YV0205 [0,2,0,0,0,0|2,0,0]=4 78 B17R0.12415 CCCCCCCCCNC(=O)CCC(=O)OC WXVL_AK1826SB0069 [0,2,0,0,0,0|1,0,1]=4 79 B17R0.12415 CCCCCCCCCNC(=O)CCC(=O)OC WXVL_AK1826SB0069 [0,2,0,0,0,0|1,0,1]=4 80 B17R0.13601 CCCCCCCCCCNC(=O)CC(=O)OC WXVL_AK1845SB2790 [0,2,0,0,0,0|1,0,1]=4 81 B17R0.13601 CCCCCCCCCCNC(=O)CC(=O)OC WXVL_AK1845SB2790 [0,2,0,0,0,0|1,0,1]=4 82 B17R0.14245 C=C(F)C(=O)NCCCCCCCCCCCC WXVL_AK1886SB1376 [0,2,0,0,0,0|2,0,0]=4 83 B17R0.14245 C=C(F)C(=O)NCCCCCCCCCCCC WXVL_AK1886SB1376 [0,2,0,0,0,0|2,0,0]=4 84 B17R0.14245 CCCCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0562 [0,2,0,0,0,0|1,0,0]=3 85 B17R0.14245 CCCCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0562 [0,2,0,0,0,0|1,0,0]=3 86 B17R0.14245 CCCCCCCCCCCCNC(=O)C(=O)C WXVL_AK1886SB0051 [0,2,0,0,0,0|1,0,1]=4 87 B17R0.14245 CCCCCCCCCCCCNC(=O)C(=O)C WXVL_AK1886SB0051 [0,2,0,0,0,0|1,0,1]=4 88 B17R0.14245 CCCCCCCCCCCCNC(=O)C(=O)N WXVL_AK1886SB0128 [0,2,0,0,0,0|1,0,1]=4 89 B17R0.14245 CCCCCCCCCCCCNC(=O)C(=O)N WXVL_AK1886SB0128 [0,2,0,0,0,0|1,0,1]=4 90 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)C WXVL_AK1886SB0052 [0,2,0,0,0,0|2,0,0]=4 91 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)C WXVL_AK1886SB0052 [0,2,0,0,0,0|2,0,0]=4 92 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)S WXVL_AK1886SB2708 [0,2,0,0,0,0|1,1,0]=4 93 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)S WXVL_AK1886SB2708 [0,2,0,0,0,0|1,1,0]=4 94 B17R0.14245 CCCCCCCCCCCCNC(=O)C(F)F WXVL_AK1886SB0079 [0,2,0,0,0,0|2,0,0]=4 95 B17R0.14245 CCCCCCCCCCCCNC(=O)C(F)F WXVL_AK1886SB0079 [0,2,0,0,0,0|2,0,0]=4 96 B17R0.14245 CCCCCCCCCCCCNC(=O)N(C)C WXVL_AN0032YV0205 [0,2,0,0,0,0|2,0,0]=4 97 B17R0.14245 CCCCCCCCCCCCNC(=O)N(C)C WXVL_AN0032YV0205 [0,2,0,0,0,0|2,0,0]=4 98 B17R0.14245 CCCCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1886SB1085 [0,2,0,0,0,0|1,0,0]=3 99 B17R0.14245 CCCCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1886SB1085 [0,2,0,0,0,0|1,0,0]=3 100 B17R0.38 CCCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0490 [0,2,0,0,0,0|1,0,1]=4 101 B17R0.38 CCCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0490 [0,2,0,0,0,0|1,0,1]=4 102 B17R0.43 CCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2751 [0,2,0,0,0,0|1,0,0]=3 103 B17R0.43 CCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2751 [0,2,0,0,0,0|1,0,0]=3 104 B17R0.43 CCCCCCCCCCCCCCNC(=O)C WXVL_AK2576SB0150 [0,2,0,0,0,0|1,0,0]=3 105 B17R0.43 CCCCCCCCCCCCCCNC(=O)C WXVL_AK2576SB0150 [0,2,0,0,0,0|1,0,0]=3 106 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB2796 [0,2,0,0,0,0|1,0,1]=4 107 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB2796 [0,2,0,0,0,0|1,0,1]=4 108 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)C WXVL_AK1845SB0072 [0,2,0,0,0,0|1,0,1]=4 109 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)C WXVL_AK1845SB0072 [0,2,0,0,0,0|1,0,1]=4 110 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)N WXVL_AK1845SB0358 [0,2,0,0,0,0|1,0,1]=4 111 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)N WXVL_AK1845SB0358 [0,2,0,0,0,0|1,0,1]=4