0 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)N1 WXVL_AK00588SB0126 [0,1,0,0,0,0|2,0,1]=4 1 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)N1 WXVL_AK00588SB0126 [0,1,0,0,0,0|2,0,1]=4 2 B13R1.23 CCCCNC(=O)[C@@H]1CNC(=O)O1 WXVL_AK00588SBF634 [0,1,0,0,0,0|2,0,1]=4 3 B13R1.23 CCCCNC(=O)[C@@H]1CNC(=O)O1 WXVL_AK00588SBF634 [0,1,0,0,0,0|2,0,1]=4 4 B13R1.41 CCCC(=O)NC[C@H]1CCC(=O)N1 WXVL_AK00538SB0073 [0,1,0,0,0,0|2,0,1]=4 5 B13R1.41 CCCC(=O)NC[C@H]1CCC(=O)N1 WXVL_AK00538SB0073 [0,1,0,0,0,0|2,0,1]=4 6 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,0,1,0,0,0|2,0,0]=3 7 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,0,1,0,0,0|2,0,0]=3 8 B11R0.40 CCC(=O)NCCOCCOC WXVL_AK2206SB0064 [0,0,1,0,0,0|3,0,0]=4 9 B11R0.40 CCC(=O)NCCOCCOC WXVL_AK2206SB0064 [0,0,1,0,0,0|3,0,0]=4 10 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [0,0,1,0,0,0|2,0,0]=3 11 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [0,0,1,0,0,0|2,0,0]=3 12 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,0,1,0,0,0|2,0,0]=3 13 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,0,1,0,0,0|2,0,0]=3 14 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [0,0,1,0,0,0|3,0,0]=4 15 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [0,0,1,0,0,0|3,0,0]=4 16 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [0,0,1,0,0,0|3,0,0]=4 17 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [0,0,1,0,0,0|3,0,0]=4 18 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [0,0,1,0,0,0|3,0,0]=4 19 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [0,0,1,0,0,0|3,0,0]=4 20 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [0,0,1,0,0,0|3,0,0]=4 21 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [0,0,1,0,0,0|3,0,0]=4 22 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [0,0,1,0,0,0|1,0,0]=2 23 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [0,0,1,0,0,0|1,0,0]=2 24 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [0,0,1,0,0,0|2,0,0]=3 25 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [0,0,1,0,0,0|2,0,0]=3 26 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [0,0,1,0,0,0|3,0,0]=4 27 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [0,0,1,0,0,0|3,0,0]=4 28 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [1,0,1,0,0,0|2,0,0]=4 29 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [1,0,1,0,0,0|2,0,0]=4 30 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [1,0,1,0,0,0|1,0,0]=3 31 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [1,0,1,0,0,0|1,0,0]=3 32 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [1,0,1,0,0,0|2,0,0]=4 33 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [1,0,1,0,0,0|2,0,0]=4 34 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [1,0,1,0,0,0|2,0,0]=4 35 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [1,0,1,0,0,0|2,0,0]=4 36 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [1,0,1,0,0,0|2,0,0]=4 37 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [1,0,1,0,0,0|2,0,0]=4 38 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,0,1,0,0,0|2,0,0]=4 39 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,0,1,0,0,0|2,0,0]=4 40 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [1,0,1,0,0,0|1,0,0]=3 41 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [1,0,1,0,0,0|1,0,0]=3 42 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,0,1,0,0,0|1,0,0]=3 43 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,0,1,0,0,0|1,0,0]=3 44 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [1,0,1,0,0,0|2,0,0]=4 45 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [1,0,1,0,0,0|2,0,0]=4 46 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [1,0,1,0,0,0|2,0,0]=4 47 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [1,0,1,0,0,0|2,0,0]=4 48 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [1,0,1,0,0,0|2,0,0]=4 49 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [1,0,1,0,0,0|2,0,0]=4 50 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,1,1,0,0,0|2,0,0]=4 51 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,1,1,0,0,0|2,0,0]=4 52 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,1,1,0,0,0|1,0,0]=3 53 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,1,1,0,0,0|1,0,0]=3 54 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,1,1,0,0,0|2,0,0]=4 55 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,1,1,0,0,0|2,0,0]=4 56 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,1,1,0,0,0|2,0,0]=4 57 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,1,1,0,0,0|2,0,0]=4 58 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,1,1,0,0,0|2,0,0]=4 59 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,1,1,0,0,0|2,0,0]=4 60 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,1,1,0,0,0|2,0,0]=4 61 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,1,1,0,0,0|2,0,0]=4 62 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,1,1,0,0,0|2,0,0]=4 63 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,1,1,0,0,0|2,0,0]=4 64 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,1,1,0,0,0|2,0,0]=4 65 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,1,1,0,0,0|2,0,0]=4 66 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,1,1,0,0,0|2,0,0]=4 67 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,1,1,0,0,0|2,0,0]=4 68 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,1,1,0,0,0|2,0,0]=4 69 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,1,1,0,0,0|2,0,0]=4 70 B12R0.184 CCC(=O)NCCCCCN(C)C WXVL_AK0956SB0064 [0,1,1,0,0,0|2,0,0]=4 71 B12R0.184 CCC(=O)NCCCCCN(C)C WXVL_AK0956SB0064 [0,1,1,0,0,0|2,0,0]=4 72 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,1,1,0,0,0|2,0,0]=4 73 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,1,1,0,0,0|2,0,0]=4 74 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,1,1,0,0,0|1,0,0]=3 75 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,1,1,0,0,0|1,0,0]=3 76 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [0,1,1,0,0,0|2,0,0]=4 77 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [0,1,1,0,0,0|2,0,0]=4 78 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,1,1,0,0,0|2,0,0]=4 79 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,1,1,0,0,0|2,0,0]=4 80 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [0,1,1,0,0,0|1,0,0]=3 81 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [0,1,1,0,0,0|1,0,0]=3 82 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [0,1,1,0,0,0|2,0,0]=4 83 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [0,1,1,0,0,0|2,0,0]=4 84 B12R0.251 CC(C)C(=O)NCCCCCCO WXVL_AK0751SB0052 [0,1,1,0,0,0|2,0,0]=4 85 B12R0.251 CC(C)C(=O)NCCCCCCO WXVL_AK0751SB0052 [0,1,1,0,0,0|2,0,0]=4 86 B12R0.251 CC(S)C(=O)NCCCCCCO WXVL_AK0751SB2708 [0,1,1,0,0,0|2,0,0]=4 87 B12R0.251 CC(S)C(=O)NCCCCCCO WXVL_AK0751SB2708 [0,1,1,0,0,0|2,0,0]=4 88 B12R0.251 CCCCCCCCC(=O)N(C)C WXVL_AN0032SB0409 [0,1,1,0,0,0|2,0,0]=4 89 B12R0.251 CCCCCCCCC(=O)N(C)C WXVL_AN0032SB0409 [0,1,1,0,0,0|2,0,0]=4 90 B12R0.251 CCCCOCCNC(=O)C(C)C WXVL_AK9674SB0052 [0,1,1,0,0,0|2,0,0]=4 91 B12R0.251 CCCCOCCNC(=O)C(C)C WXVL_AK9674SB0052 [0,1,1,0,0,0|2,0,0]=4 92 B12R0.251 CCCCOCCNC(=O)C(C)S WXVL_AK9674SB2708 [0,1,1,0,0,0|2,0,0]=4 93 B12R0.251 CCCCOCCNC(=O)C(C)S WXVL_AK9674SB2708 [0,1,1,0,0,0|2,0,0]=4 94 B12R0.251 CCCCOCCNC(=O)[C@@H](C)O WXVL_AK9674SB1085 [0,1,1,0,0,0|2,0,0]=4 95 B12R0.251 CCCCOCCNC(=O)[C@@H](C)O WXVL_AK9674SB1085 [0,1,1,0,0,0|2,0,0]=4 96 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO WXVL_AK0751SB1085 [0,1,1,0,0,0|2,0,0]=4 97 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO WXVL_AK0751SB1085 [0,1,1,0,0,0|2,0,0]=4 98 B12R0.234 C=CCCCCCCCCC(=O)N WXVL_AK0084SB0481 [0,1,1,0,0,0|1,0,1]=4 99 B12R0.234 C=CCCCCCCCCC(=O)N WXVL_AK0084SB0481 [0,1,1,0,0,0|1,0,1]=4 100 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [0,1,1,0,0,0|2,0,0]=4 101 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [0,1,1,0,0,0|2,0,0]=4 102 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [0,1,1,0,0,0|1,0,0]=3 103 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [0,1,1,0,0,0|1,0,0]=3 104 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [0,1,1,0,0,0|1,0,0]=3 105 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [0,1,1,0,0,0|1,0,0]=3 106 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)N1 WXVL_AK0076SB0126 [0,2,0,0,0,0|1,0,1]=4 107 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)N1 WXVL_AK0076SB0126 [0,2,0,0,0,0|1,0,1]=4 108 B14R1.37 CCCCCNC(=O)[C@@H]1CNC(=O)O1 WXVL_AK0076SBF634 [0,2,0,0,0,0|1,0,1]=4 109 B14R1.37 CCCCCNC(=O)[C@@H]1CNC(=O)O1 WXVL_AK0076SBF634 [0,2,0,0,0,0|1,0,1]=4 110 B12R1.107 CC(=O)NC(C)C1CCOCC1 WXVL_AK00126SB0150 [0,0,1,1,0,0|2,0,0]=4 111 B12R1.107 CC(=O)NC(C)C1CCOCC1 WXVL_AK00126SB0150 [0,0,1,1,0,0|2,0,0]=4 112 B12R1.27 CCC(=O)NCC1CCCCO1 WXVL_AK1232SB0064 [0,0,1,1,0,0|2,0,0]=4 113 B12R1.27 CCC(=O)NCC1CCCCO1 WXVL_AK1232SB0064 [0,0,1,1,0,0|2,0,0]=4 114 B12R1.27 CCC(=O)NCC1CCCOC1 WXVL_AK00150SB0064 [0,0,1,1,0,0|2,0,0]=4 115 B12R1.27 CCC(=O)NCC1CCCOC1 WXVL_AK00150SB0064 [0,0,1,1,0,0|2,0,0]=4 116 B12R1.27 CCC(=O)NCC1CCOCC1 WXVL_AK0150SB0064 [0,0,1,1,0,0|2,0,0]=4 117 B12R1.27 CCC(=O)NCC1CCOCC1 WXVL_AK0150SB0064 [0,0,1,1,0,0|2,0,0]=4 118 B12R1.27 CCC(=O)NCC1CCSCC1 WXVL_AK00654SB0064 [0,0,1,1,0,0|2,0,0]=4 119 B12R1.27 CCC(=O)NCC1CCSCC1 WXVL_AK00654SB0064 [0,0,1,1,0,0|2,0,0]=4 120 B12R1.27 CNC(=O)CCC1CCCCC1 WXVL_AK00442SB0049 [0,0,1,1,0,0|2,0,0]=4 121 B12R1.27 CNC(=O)CCC1CCCCC1 WXVL_AK00442SB0049 [0,0,1,1,0,0|2,0,0]=4 122 B12R1.77 CCC(=O)N1CCCCC1CO WXVL_AN0018SB0064 [0,0,1,1,0,0|2,0,0]=4 123 B12R1.77 CCC(=O)N1CCCCC1CO WXVL_AN0018SB0064 [0,0,1,1,0,0|2,0,0]=4 124 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0064 [0,0,1,1,0,0|2,0,0]=4 125 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0064 [0,0,1,1,0,0|2,0,0]=4 126 B12R1.252 CC(=O)NCCC1CCCCC1 WXVL_AK1287SB0150 [0,0,1,1,0,0|2,0,0]=4 127 B12R1.252 CC(=O)NCCC1CCCCC1 WXVL_AK1287SB0150 [0,0,1,1,0,0|2,0,0]=4 128 B12R1.386 CCCCC1CCCN1C(=O)C WXVL_AN00739SB0150 [0,0,1,1,0,0|2,0,0]=4