0 B12R0.69 C/C=C/C(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0340 [0,0,0,0,0,0|3,0,1]=4 1 B12R0.69 C/C=C/C(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0340 [0,0,0,0,0,0|3,0,1]=4 2 B12R0.69 CC#CC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB1240 [0,0,0,0,0,0|3,0,1]=4 3 B12R0.69 CC#CC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB1240 [0,0,0,0,0,0|3,0,1]=4 4 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0073 [0,0,0,0,0,0|3,0,0]=3 5 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0073 [0,0,0,0,0,0|3,0,0]=3 6 B12R0.69 CCOC(=O)[C@H](C)NC(=O)COC WXVL_AK1648SB0090 [0,0,0,0,0,0|4,0,0]=4 7 B12R0.69 CCOC(=O)[C@H](C)NC(=O)COC WXVL_AK1648SB0090 [0,0,0,0,0,0|4,0,0]=4 8 B12R0.69 CCOC(=O)[C@H](C)NC(=O)CSC WXVL_AK1648SB1267 [0,0,0,0,0,0|4,0,0]=4 9 B12R0.69 CCOC(=O)[C@H](C)NC(=O)CSC WXVL_AK1648SB1267 [0,0,0,0,0,0|4,0,0]=4 10 B11R0.43 CCOC(=O)[C@H](C)NC(=O)CC WXVL_AK1648SB0064 [1,0,0,0,0,0|2,0,0]=3 11 B11R0.43 CCOC(=O)[C@H](C)NC(=O)CC WXVL_AK1648SB0064 [1,0,0,0,0,0|2,0,0]=3 12 B11R0.43 CCOC(=O)[C@H](C)NC(=O)CO WXVL_AK1648SB2706 [1,0,0,0,0,0|3,0,0]=4 13 B11R0.43 CCOC(=O)[C@H](C)NC(=O)CO WXVL_AK1648SB2706 [1,0,0,0,0,0|3,0,0]=4 14 B11R0.62 CCNC(=O)/C=C/C(=O)OCC WXVL_AK00476SB0061 [1,0,0,0,0,0|1,0,2]=4 15 B11R0.62 CCNC(=O)/C=C/C(=O)OCC WXVL_AK00476SB0061 [1,0,0,0,0,0|1,0,2]=4 16 B11R0.62 CCNC(=O)NCC(=O)OCC WXVL_AK00476YV0151 [1,0,0,0,0,0|2,0,0]=3 17 B11R0.62 CCNC(=O)NCC(=O)OCC WXVL_AK00476YV0151 [1,0,0,0,0,0|2,0,0]=3 18 B11R0.187 CCNC(=O)N[C@@H](C)C(=O)OC WXVL_AK00476YV0164 [1,0,0,0,0,0|3,0,0]=4 19 B11R0.187 CCNC(=O)N[C@@H](C)C(=O)OC WXVL_AK00476YV0164 [1,0,0,0,0,0|3,0,0]=4 20 B13R0.55 CCCC(=O)N[C@@H](C)C(=O)OC(C)C WXVL_AK0771SB0073 [0,1,0,0,0,0|3,0,0]=4 21 B13R0.55 CCCC(=O)N[C@@H](C)C(=O)OC(C)C WXVL_AK0771SB0073 [0,1,0,0,0,0|3,0,0]=4 22 B13R0.120 CCOC(=O)[C@H](C)NC(=O)CCOC WXVL_AK1648SB0156 [0,1,0,0,0,0|3,0,0]=4 23 B13R0.120 CCOC(=O)[C@H](C)NC(=O)CCOC WXVL_AK1648SB0156 [0,1,0,0,0,0|3,0,0]=4 24 B13R0.120 CCOC(=O)[C@H](C)NC(=O)CCSC WXVL_AK1648SB0361 [0,1,0,0,0,0|3,0,0]=4 25 B13R0.120 CCOC(=O)[C@H](C)NC(=O)CCSC WXVL_AK1648SB0361 [0,1,0,0,0,0|3,0,0]=4 26 B13R0.120 CCOC(=O)[C@H](C)NC(=O)CSCC WXVL_AK1648SB0002 [0,1,0,0,0,0|2,1,0]=4 27 B13R0.120 CCOC(=O)[C@H](C)NC(=O)CSCC WXVL_AK1648SB0002 [0,1,0,0,0,0|2,1,0]=4 28 B13R0.120 CCOC(=O)[C@H](C)NC(=O)NCCCl WXVL_AK1648YV0092 [0,1,0,0,0,0|3,0,0]=4 29 B13R0.120 CCOC(=O)[C@H](C)NC(=O)NCCCl WXVL_AK1648YV0092 [0,1,0,0,0,0|3,0,0]=4 30 B13R0.120 CCOCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0091 [0,1,0,0,0,0|2,0,0]=3 31 B13R0.120 CCOCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0091 [0,1,0,0,0,0|2,0,0]=3 32 B13R0.225 C/C=C/C(=O)N[C@@H](CO)C(=O)OCC WXVL_AK0757SB0340 [0,1,0,0,0,0|2,0,1]=4 33 B13R0.225 C/C=C/C(=O)N[C@@H](CO)C(=O)OCC WXVL_AK0757SB0340 [0,1,0,0,0,0|2,0,1]=4 34 B13R0.225 CC#CC(=O)N[C@@H](CO)C(=O)OCC WXVL_AK0757SB1240 [0,1,0,0,0,0|2,0,1]=4 35 B13R0.225 CC#CC(=O)N[C@@H](CO)C(=O)OCC WXVL_AK0757SB1240 [0,1,0,0,0,0|2,0,1]=4 36 B13R0.225 CCCC(=O)N[C@@H](CO)C(=O)OCC WXVL_AK0757SB0073 [0,1,0,0,0,0|2,0,0]=3 37 B13R0.225 CCCC(=O)N[C@@H](CO)C(=O)OCC WXVL_AK0757SB0073 [0,1,0,0,0,0|2,0,0]=3 38 B13R0.225 CCOC(=O)[C@H](CO)NC(=O)COC WXVL_AK0757SB0090 [0,1,0,0,0,0|3,0,0]=4 39 B13R0.225 CCOC(=O)[C@H](CO)NC(=O)COC WXVL_AK0757SB0090 [0,1,0,0,0,0|3,0,0]=4 40 B13R0.225 CCOC(=O)[C@H](CO)NC(=O)CSC WXVL_AK0757SB1267 [0,1,0,0,0,0|3,0,0]=4 41 B13R0.225 CCOC(=O)[C@H](CO)NC(=O)CSC WXVL_AK0757SB1267 [0,1,0,0,0,0|3,0,0]=4 42 B13R0.243 CCOC(=O)[C@H](C)NC(=O)CC(C)C WXVL_AK1648SB0063 [0,1,0,0,0,0|3,0,0]=4 43 B13R0.243 CCOC(=O)[C@H](C)NC(=O)CC(C)C WXVL_AK1648SB0063 [0,1,0,0,0,0|3,0,0]=4 44 B13R0.243 CCOC(=O)[C@H](C)NC(=O)CC(C)O WXVL_AK1648SB3643 [0,1,0,0,0,0|3,0,0]=4 45 B13R0.243 CCOC(=O)[C@H](C)NC(=O)CC(C)O WXVL_AK1648SB3643 [0,1,0,0,0,0|3,0,0]=4 46 B13R0.246 CCOC(=O)[C@H](C)NC(=O)C(=O)CC WXVL_AK1648SB0344 [0,1,0,0,0,0|3,0,0]=4 47 B13R0.246 CCOC(=O)[C@H](C)NC(=O)C(=O)CC WXVL_AK1648SB0344 [0,1,0,0,0,0|3,0,0]=4 48 B13R0.246 CCOC(=O)[C@H](C)NC(=O)C(C)CC WXVL_AK1648SB0054 [0,1,0,0,0,0|3,0,0]=4 49 B13R0.246 CCOC(=O)[C@H](C)NC(=O)C(C)CC WXVL_AK1648SB0054 [0,1,0,0,0,0|3,0,0]=4 50 B13R0.246 CCOC(=O)[C@H](C)NC(=O)[C@@H](O)CC WXVL_AK1648SB3573 [0,1,0,0,0,0|3,0,0]=4 51 B13R0.246 CCOC(=O)[C@H](C)NC(=O)[C@@H](O)CC WXVL_AK1648SB3573 [0,1,0,0,0,0|3,0,0]=4 52 B13R0.246 CCOC(=O)[C@H](C)NC(=O)[C@H](C)CC WXVL_AK1648SB00054 [0,1,0,0,0,0|3,0,0]=4 53 B13R0.246 CCOC(=O)[C@H](C)NC(=O)[C@H](C)CC WXVL_AK1648SB00054 [0,1,0,0,0,0|3,0,0]=4 54 B13R1.1494 CCOC(=O)[C@H](C)NC(=O)C1CC1 WXVL_AK1648SB0038 [0,0,0,1,0,0|3,0,0]=4 55 B13R1.1494 CCOC(=O)[C@H](C)NC(=O)C1CC1 WXVL_AK1648SB0038 [0,0,0,1,0,0|3,0,0]=4 56 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [2,0,0,0,0,0|1,0,1]=4 57 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [2,0,0,0,0,0|1,0,1]=4 58 B10R0.32 CCOC(=O)[C@H](C)NC(=O)C WXVL_AK1648SB0150 [2,0,0,0,0,0|2,0,0]=4 59 B10R0.32 CCOC(=O)[C@H](C)NC(=O)C WXVL_AK1648SB0150 [2,0,0,0,0,0|2,0,0]=4 60 B10R0.108 CCNC(=O)CCC(=O)OC WXVL_AK00476SB0069 [2,0,0,0,0,0|1,0,0]=3 61 B10R0.108 CCNC(=O)CCC(=O)OC WXVL_AK00476SB0069 [2,0,0,0,0,0|1,0,0]=3 62 B10R0.108 CCOC(=O)CNC(=O)NC WXVL_AK00442YV0151 [2,0,0,0,0,0|2,0,0]=4 63 B10R0.108 CCOC(=O)CNC(=O)NC WXVL_AK00442YV0151 [2,0,0,0,0,0|2,0,0]=4 64 B12R0.76 CCOC(=O)[C@H](C)NC(=O)C(C)C WXVL_AK1648SB0052 [1,1,0,0,0,0|2,0,0]=4 65 B12R0.76 CCOC(=O)[C@H](C)NC(=O)C(C)C WXVL_AK1648SB0052 [1,1,0,0,0,0|2,0,0]=4 66 B12R0.76 CCOC(=O)[C@H](C)NC(=O)C(C)S WXVL_AK1648SB2708 [1,1,0,0,0,0|2,0,0]=4 67 B12R0.76 CCOC(=O)[C@H](C)NC(=O)C(C)S WXVL_AK1648SB2708 [1,1,0,0,0,0|2,0,0]=4 68 B12R0.76 CCOC(=O)[C@H](C)NC(=O)[C@@H](C)O WXVL_AK1648SB1085 [1,1,0,0,0,0|2,0,0]=4 69 B12R0.76 CCOC(=O)[C@H](C)NC(=O)[C@@H](C)O WXVL_AK1648SB1085 [1,1,0,0,0,0|2,0,0]=4 70 B12R0.80 CCOC(=O)[C@H](CO)NC(=O)CC WXVL_AK0757SB0064 [1,1,0,0,0,0|1,0,0]=3 71 B12R0.80 CCOC(=O)[C@H](CO)NC(=O)CC WXVL_AK0757SB0064 [1,1,0,0,0,0|1,0,0]=3 72 B12R0.80 CCOC(=O)[C@H](CO)NC(=O)CO WXVL_AK0757SB2706 [1,1,0,0,0,0|2,0,0]=4 73 B12R0.80 CCOC(=O)[C@H](CO)NC(=O)CO WXVL_AK0757SB2706 [1,1,0,0,0,0|2,0,0]=4 74 B12R0.235 CCC(=O)N[C@@H](C)C(=O)OC(C)C WXVL_AK0771SB0064 [1,1,0,0,0,0|2,0,0]=4 75 B12R0.235 CCC(=O)N[C@@H](C)C(=O)OC(C)C WXVL_AK0771SB0064 [1,1,0,0,0,0|2,0,0]=4 76 B12R0.101 CCCNC(=O)NCC(=O)OCC WXVL_AK00504YV0151 [1,1,0,0,0,0|2,0,0]=4 77 B12R0.101 CCCNC(=O)NCC(=O)OCC WXVL_AK00504YV0151 [1,1,0,0,0,0|2,0,0]=4 78 B12R0.101 CCOC(=O)CNC(=O)NCCF WXVL_AK00466YV0151 [1,1,0,0,0,0|2,0,0]=4 79 B12R0.101 CCOC(=O)CNC(=O)NCCF WXVL_AK00466YV0151 [1,1,0,0,0,0|2,0,0]=4 80 B12R0.272 CCOC(=O)CNC(=O)NC(C)C WXVL_AK0030YV0151 [1,1,0,0,0,0|2,0,0]=4 81 B12R0.272 CCOC(=O)CNC(=O)NC(C)C WXVL_AK0030YV0151 [1,1,0,0,0,0|2,0,0]=4 82 B12R0.746 CCNC(=O)CC(C)(C)C(=O)OC WXVL_AK00476SB3598 [1,1,0,0,0,0|2,0,0]=4 83 B12R0.746 CCNC(=O)CC(C)(C)C(=O)OC WXVL_AK00476SB3598 [1,1,0,0,0,0|2,0,0]=4 84 B12R0.731 CCNC(=O)C(C)(C)C(=O)OCC WXVL_AK00476SB2306 [0,1,0,0,1,0|2,0,0]=4 85 B12R0.731 CCNC(=O)C(C)(C)C(=O)OCC WXVL_AK00476SB2306 [0,1,0,0,1,0|2,0,0]=4 86 B14R0.316 CCOC(=O)C(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB4144 [0,1,0,0,0,1|0,0,2]=4 87 B14R0.316 CCOC(=O)C(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB4144 [0,1,0,0,0,1|0,0,2]=4 88 B14R0.719 CCCC(=O)NCC(F)(F)C(=O)OCC WXVL_AK1734SB0073 [0,1,0,0,0,1|2,0,0]=4 89 B14R0.719 CCCC(=O)NCC(F)(F)C(=O)OCC WXVL_AK1734SB0073 [0,1,0,0,0,1|2,0,0]=4 90 B14R0.395 CCOCC(=O)N[C@@H](C)C(=O)OC(C)C WXVL_AK0771SB0091 [0,2,0,0,0,0|2,0,0]=4 91 B14R0.395 CCOCC(=O)N[C@@H](C)C(=O)OC(C)C WXVL_AK0771SB0091 [0,2,0,0,0,0|2,0,0]=4 92 B14R0.232 CCO/C=C/C(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB3226 [0,2,0,0,0,0|2,0,0]=4 93 B14R0.232 CCO/C=C/C(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB3226 [0,2,0,0,0,0|2,0,0]=4 94 B14R0.301 CCOC(=O)[C@H](C)NC(=O)COC(C)C WXVL_AK1648SB0213 [0,2,0,0,0,0|2,0,0]=4 95 B14R0.301 CCOC(=O)[C@H](C)NC(=O)COC(C)C WXVL_AK1648SB0213 [0,2,0,0,0,0|2,0,0]=4 96 B14R0.567 CCOC(=O)[C@H](CO)NC(=O)CCOC WXVL_AK0757SB0156 [0,2,0,0,0,0|2,0,0]=4 97 B14R0.567 CCOC(=O)[C@H](CO)NC(=O)CCOC WXVL_AK0757SB0156 [0,2,0,0,0,0|2,0,0]=4 98 B14R0.567 CCOC(=O)[C@H](CO)NC(=O)CCSC WXVL_AK0757SB0361 [0,2,0,0,0,0|2,0,0]=4 99 B14R0.567 CCOC(=O)[C@H](CO)NC(=O)CCSC WXVL_AK0757SB0361 [0,2,0,0,0,0|2,0,0]=4 100 B14R0.567 CCOC(=O)[C@H](CO)NC(=O)CSCC WXVL_AK0757SB0002 [0,2,0,0,0,0|1,1,0]=4 101 B14R0.567 CCOC(=O)[C@H](CO)NC(=O)CSCC WXVL_AK0757SB0002 [0,2,0,0,0,0|1,1,0]=4 102 B14R0.567 CCOC(=O)[C@H](CO)NC(=O)NCCCl WXVL_AK0757YV0092 [0,2,0,0,0,0|2,0,0]=4 103 B14R0.567 CCOC(=O)[C@H](CO)NC(=O)NCCCl WXVL_AK0757YV0092 [0,2,0,0,0,0|2,0,0]=4 104 B14R0.567 CCOCC(=O)N[C@@H](CO)C(=O)OCC WXVL_AK0757SB0091 [0,2,0,0,0,0|1,0,0]=3 105 B14R0.567 CCOCC(=O)N[C@@H](CO)C(=O)OCC WXVL_AK0757SB0091 [0,2,0,0,0,0|1,0,0]=3 106 B14R0.1189 CCOC(=O)[C@H](CO)NC(=O)CC(C)C WXVL_AK0757SB0063 [0,2,0,0,0,0|2,0,0]=4 107 B14R0.1189 CCOC(=O)[C@H](CO)NC(=O)CC(C)C WXVL_AK0757SB0063 [0,2,0,0,0,0|2,0,0]=4 108 B14R0.1189 CCOC(=O)[C@H](CO)NC(=O)CC(C)O WXVL_AK0757SB3643 [0,2,0,0,0,0|2,0,0]=4 109 B14R0.1189 CCOC(=O)[C@H](CO)NC(=O)CC(C)O WXVL_AK0757SB3643 [0,2,0,0,0,0|2,0,0]=4 110 B14R0.1200 CCOC(=O)[C@H](CO)NC(=O)C(=O)CC WXVL_AK0757SB0344 [0,2,0,0,0,0|2,0,0]=4 111 B14R0.1200 CCOC(=O)[C@H](CO)NC(=O)C(=O)CC WXVL_AK0757SB0344 [0,2,0,0,0,0|2,0,0]=4 112 B14R0.1200 CCOC(=O)[C@H](CO)NC(=O)C(C)CC WXVL_AK0757SB0054 [0,2,0,0,0,0|2,0,0]=4 113 B14R0.1200 CCOC(=O)[C@H](CO)NC(=O)C(C)CC WXVL_AK0757SB0054 [0,2,0,0,0,0|2,0,0]=4 114 B14R0.1200 CCOC(=O)[C@H](CO)NC(=O)[C@@H](O)CC WXVL_AK0757SB3573 [0,2,0,0,0,0|2,0,0]=4 115 B14R0.1200 CCOC(=O)[C@H](CO)NC(=O)[C@@H](O)CC WXVL_AK0757SB3573 [0,2,0,0,0,0|2,0,0]=4 116 B14R0.1200 CCOC(=O)[C@H](CO)NC(=O)[C@H](C)CC WXVL_AK0757SB00054 [0,2,0,0,0,0|2,0,0]=4 117 B14R0.1200 CCOC(=O)[C@H](CO)NC(=O)[C@H](C)CC WXVL_AK0757SB00054 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.32 CCNC(=O)CC1COCCO1 WXVL_AK00476SB2988 [1,0,0,1,0,0|1,0,1]=4 119 B12R1.32 CCNC(=O)CC1COCCO1 WXVL_AK00476SB2988 [1,0,0,1,0,0|1,0,1]=4 120 B12R1.318 CCNC(=O)CN1CCOC1=O WXVL_AK00476SB8467 [1,0,0,1,0,0|2,0,0]=4 121 B12R1.318 CCNC(=O)CN1CCOC1=O WXVL_AK00476SB8467 [1,0,0,1,0,0|2,0,0]=4 122 B12R1.1595 CCNC(=O)C1(CCOCC1)O WXVL_AK00476SBE859 [1,0,0,1,0,0|1,0,1]=4 123 B12R1.1595 CCNC(=O)C1(CCOCC1)O WXVL_AK00476SBE859 [1,0,0,1,0,0|1,0,1]=4 124 B14R1.36 CCOC(=O)C(=O)N1CCOC(=O)C1 WXVL_AN4960SB4144 [0,0,0,1,0,1|0,0,2]=4 125 B14R1.7163 CCOC(=O)[C@H](CO)NC(=O)C1CC1 WXVL_AK0757SB0038 [0,1,0,1,0,0|2,0,0]=4 126 B14R1.7163 CCOC(=O)[C@H](CO)NC(=O)C1CC1 WXVL_AK0757SB0038 [0,1,0,1,0,0|2,0,0]=4 127 B10R0.35 CCNC(=O)C(C)C(=O)OC WXVL_AK00476SB5708 [1,0,0,0,1,0|2,0,0]=4 128 B10R0.35 CCNC(=O)C(C)C(=O)OC WXVL_AK00476SB5708 [1,0,0,0,1,0|2,0,0]=4 129 B12R0.285 C/C=C/C(=O)NCCC(=O)OCC WXVL_AK0465SB0340 [1,0,0,0,0,1|1,0,1]=4 130 B12R0.285 C/C=C/C(=O)NCCC(=O)OCC WXVL_AK0465SB0340 [1,0,0,0,0,1|1,0,1]=4 131 B12R0.285 CC#CC(=O)NCCC(=O)OCC WXVL_AK0465SB1240 [1,0,0,0,0,1|1,0,1]=4 132 B12R0.285 CC#CC(=O)NCCC(=O)OCC WXVL_AK0465SB1240 [1,0,0,0,0,1|1,0,1]=4 133 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [1,0,0,0,0,1|1,0,0]=3 134 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [1,0,0,0,0,1|1,0,0]=3 135 B12R0.285 CCOC(=O)CCNC(=O)COC WXVL_AK0465SB0090 [1,0,0,0,0,1|2,0,0]=4 136 B12R0.285 CCOC(=O)CCNC(=O)COC WXVL_AK0465SB0090 [1,0,0,0,0,1|2,0,0]=4 137 B12R0.285 CCOC(=O)CCNC(=O)CSC WXVL_AK0465SB1267 [1,0,0,0,0,1|2,0,0]=4 138 B12R0.285 CCOC(=O)CCNC(=O)CSC WXVL_AK0465SB1267 [1,0,0,0,0,1|2,0,0]=4 139 B14R0.410 CCOC(=O)CCNC(=O)C(=O)OCC WXVL_AK0465SB4144 [0,0,0,0,0,2|0,0,2]=4 140 B14R0.410 CCOC(=O)CCNC(=O)C(=O)OCC WXVL_AK0465SB4144 [0,0,0,0,0,2|0,0,2]=4