0 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,0,0,0,0,0|3,0,1]=4 1 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,0,0,0,0,0|3,0,1]=4 2 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,0,0,0,0,0|1,0,2]=3 3 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,0,0,0,0,0|1,0,2]=3 4 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,0,0,0,0,0|3,0,1]=4 5 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,0,0,0,0,0|3,0,1]=4 6 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,0,0,0,0,0|2,0,2]=4 7 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,0,0,0,0,0|2,0,2]=4 8 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,0,0,0,0,0|2,0,2]=4 9 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [1,0,0,0,0,0|2,0,1]=4 11 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [1,0,0,0,0,0|2,0,1]=4 12 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [1,0,0,0,0,0|2,0,1]=4 13 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [1,0,0,0,0,0|2,0,1]=4 14 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [1,0,0,0,0,0|3,0,0]=4 15 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [1,0,0,0,0,0|3,0,0]=4 16 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [1,0,0,0,0,0|3,0,0]=4 17 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [1,0,0,0,0,0|3,0,0]=4 18 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [1,0,0,0,0,0|1,0,2]=4 19 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [1,0,0,0,0,0|1,0,2]=4 20 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [1,0,0,0,0,0|1,0,1]=3 21 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [1,0,0,0,0,0|1,0,1]=3 22 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [1,0,0,0,0,0|2,0,0]=3 23 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [1,0,0,0,0,0|2,0,0]=3 24 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [1,0,0,0,0,0|3,0,0]=4 25 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [1,0,0,0,0,0|3,0,0]=4 26 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [1,0,0,0,0,0|3,0,0]=4 27 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [1,0,0,0,0,0|3,0,0]=4 28 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [1,0,0,0,0,0|2,0,1]=4 29 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [1,0,0,0,0,0|2,0,1]=4 30 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [1,0,0,0,0,0|2,0,1]=4 31 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [1,0,0,0,0,0|2,0,1]=4 32 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [1,0,0,0,0,0|1,0,2]=4 33 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [1,0,0,0,0,0|1,0,2]=4 34 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [1,0,0,0,0,0|2,0,1]=4 35 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [1,0,0,0,0,0|2,0,1]=4 36 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,1,0,0,0,0|1,0,2]=4 37 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,1,0,0,0,0|1,0,2]=4 38 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,1,0,0,0,0|1,0,2]=4 39 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,1,0,0,0,0|1,0,2]=4 40 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [0,1,0,0,0,0|1,0,2]=4 41 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [0,1,0,0,0,0|1,0,2]=4 42 B13R0.2 CCCCOCCCNC(=O)CCC WXVL_AK2310SB0073 [0,1,0,0,0,0|2,0,1]=4 43 B13R0.2 CCCCOCCCNC(=O)CCC WXVL_AK2310SB0073 [0,1,0,0,0,0|2,0,1]=4 44 B13R0.66 CCCCCCCCC(=O)NCCC WXVL_AK00504SB0409 [0,1,0,0,0,0|1,0,2]=4 45 B13R0.66 CCCCCCCCC(=O)NCCC WXVL_AK00504SB0409 [0,1,0,0,0,0|1,0,2]=4 46 B13R0.66 CCCCCCCCC(=O)NCCF WXVL_AK00466SB0409 [0,1,0,0,0,0|1,0,2]=4 47 B13R0.66 CCCCCCCCC(=O)NCCF WXVL_AK00466SB0409 [0,1,0,0,0,0|1,0,2]=4 48 B13R0.66 CCCCOCCNC(=O)COCC WXVL_AK9674SB0091 [0,1,0,0,0,0|2,0,1]=4 49 B13R0.66 CCCCOCCNC(=O)COCC WXVL_AK9674SB0091 [0,1,0,0,0,0|2,0,1]=4 50 B13R0.66 CCOCC(=O)NCCCCCCO WXVL_AK0751SB0091 [0,1,0,0,0,0|2,0,1]=4 51 B13R0.66 CCOCC(=O)NCCCCCCO WXVL_AK0751SB0091 [0,1,0,0,0,0|2,0,1]=4 52 B13R0.275 CCCCCCNC(=O)C(=O)OCC WXVL_AK0286SB4144 [0,1,0,0,0,0|1,0,1]=3 53 B13R0.275 CCCCCCNC(=O)C(=O)OCC WXVL_AK0286SB4144 [0,1,0,0,0,0|1,0,1]=3 54 B13R0.275 CCOC(=O)C(=O)NCCCCCO WXVL_AK0077SB4144 [0,1,0,0,0,0|2,0,1]=4 55 B13R0.275 CCOC(=O)C(=O)NCCCCCO WXVL_AK0077SB4144 [0,1,0,0,0,0|2,0,1]=4 56 B13R0.275 CCOCCCNC(=O)C(=O)OCC WXVL_AK0072SB4144 [0,1,0,0,0,0|2,0,1]=4 57 B13R0.275 CCOCCCNC(=O)C(=O)OCC WXVL_AK0072SB4144 [0,1,0,0,0,0|2,0,1]=4 58 B13R0.330 CCCCCNC(=O)CC(=O)OCC WXVL_AK0076SB3094 [0,1,0,0,0,0|1,0,2]=4 59 B13R0.330 CCCCCNC(=O)CC(=O)OCC WXVL_AK0076SB3094 [0,1,0,0,0,0|1,0,2]=4 60 B13R0.335 CCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0409 [0,1,0,0,0,0|1,0,2]=4 61 B13R0.335 CCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0409 [0,1,0,0,0,0|1,0,2]=4 62 B13R1.42 CCNC(=O)/C=C/C1CCCCC1 WXVL_AK00476SB5384 [0,0,0,1,0,0|1,0,2]=4 63 B13R1.42 CCNC(=O)/C=C/C1CCCCC1 WXVL_AK00476SB5384 [0,0,0,1,0,0|1,0,2]=4 64 B13R1.42 CCNC(=O)CCC1CCCCC1 WXVL_AK00476SB0049 [0,0,0,1,0,0|1,0,2]=4 65 B13R1.42 CCNC(=O)CCC1CCCCC1 WXVL_AK00476SB0049 [0,0,0,1,0,0|1,0,2]=4 66 B13R1.42 CCNC(=O)COC1CCCCC1 WXVL_AK00476SB3400 [0,0,0,1,0,0|2,0,1]=4 67 B13R1.42 CCNC(=O)COC1CCCCC1 WXVL_AK00476SB3400 [0,0,0,1,0,0|2,0,1]=4 68 B13R1.404 CCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0073 [0,0,0,1,0,0|2,0,1]=4 69 B13R1.404 CCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0073 [0,0,0,1,0,0|2,0,1]=4 70 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [2,0,0,0,0,0|2,0,0]=4 71 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [2,0,0,0,0,0|2,0,0]=4 72 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [2,0,0,0,0,0|2,0,0]=4 73 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [2,0,0,0,0,0|2,0,0]=4 74 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [2,0,0,0,0,0|2,0,0]=4 75 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [2,0,0,0,0,0|2,0,0]=4 76 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [2,0,0,0,0,0|2,0,0]=4 77 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [2,0,0,0,0,0|2,0,0]=4 78 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [2,0,0,0,0,0|1,0,1]=4 79 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [2,0,0,0,0,0|1,0,1]=4 80 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [2,0,0,0,0,0|1,0,0]=3 81 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [2,0,0,0,0,0|1,0,0]=3 82 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [2,0,0,0,0,0|2,0,0]=4 83 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [2,0,0,0,0,0|2,0,0]=4 84 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [2,0,0,0,0,0|2,0,0]=4 85 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [2,0,0,0,0,0|2,0,0]=4 86 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [1,1,0,0,0,0|1,0,1]=4 87 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [1,1,0,0,0,0|1,0,1]=4 88 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [1,1,0,0,0,0|2,0,0]=4 89 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [1,1,0,0,0,0|2,0,0]=4 90 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [1,1,0,0,0,0|2,0,0]=4 91 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [1,1,0,0,0,0|2,0,0]=4 92 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [1,1,0,0,0,0|2,0,0]=4 93 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [1,1,0,0,0,0|2,0,0]=4 94 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [1,1,0,0,0,0|2,0,0]=4 95 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [1,1,0,0,0,0|2,0,0]=4 96 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [1,1,0,0,0,0|2,0,0]=4 97 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [1,1,0,0,0,0|2,0,0]=4 98 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [1,1,0,0,0,0|2,0,0]=4 99 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [1,1,0,0,0,0|2,0,0]=4 100 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [1,1,0,0,0,0|1,0,1]=4 101 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [1,1,0,0,0,0|1,0,1]=4 102 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [1,1,0,0,0,0|1,0,1]=4 103 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [1,1,0,0,0,0|1,0,1]=4 104 B14R0.73 CCCCCCNC(=O)CC(=O)OCC WXVL_AK0286SB3094 [0,2,0,0,0,0|0,0,2]=4 105 B14R0.73 CCCCCCNC(=O)CC(=O)OCC WXVL_AK0286SB3094 [0,2,0,0,0,0|0,0,2]=4 106 B14R0.83 CCCCOCCNC(=O)C(=O)OCC WXVL_AK9674SB4144 [0,2,0,0,0,0|1,0,1]=4 107 B14R0.83 CCCCOCCNC(=O)C(=O)OCC WXVL_AK9674SB4144 [0,2,0,0,0,0|1,0,1]=4 108 B14R0.83 CCOC(=O)C(=O)NCCCCCCO WXVL_AK0751SB4144 [0,2,0,0,0,0|1,0,1]=4 109 B14R0.83 CCOC(=O)C(=O)NCCCCCCO WXVL_AK0751SB4144 [0,2,0,0,0,0|1,0,1]=4 110 B14R0.493 CCCCCCCCNC(=O)COCC WXVL_AK1818SB0091 [0,2,0,0,0,0|0,0,2]=4 111 B14R0.493 CCCCCCCCNC(=O)COCC WXVL_AK1818SB0091 [0,2,0,0,0,0|0,0,2]=4 112 B14R0.493 CCCCOCCCNC(=O)COCC WXVL_AK2310SB0091 [0,2,0,0,0,0|1,0,1]=4 113 B14R0.493 CCCCOCCCNC(=O)COCC WXVL_AK2310SB0091 [0,2,0,0,0,0|1,0,1]=4 114 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [1,0,0,1,0,0|2,0,0]=4 115 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [1,0,0,1,0,0|2,0,0]=4 116 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [1,0,0,1,0,0|2,0,0]=4 117 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [1,0,0,1,0,0|2,0,0]=4 118 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [1,0,0,1,0,0|1,0,1]=4 119 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [1,0,0,1,0,0|1,0,1]=4 120 B12R1.308 CCCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0073 [1,0,0,1,0,0|2,0,0]=4 121 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [1,0,0,1,0,0|2,0,0]=4 122 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [1,0,0,1,0,0|2,0,0]=4 123 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [1,0,0,1,0,0|2,0,0]=4 124 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [1,0,0,1,0,0|2,0,0]=4 125 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [1,0,0,1,0,0|1,0,1]=4 126 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [1,0,0,1,0,0|1,0,1]=4 127 B12R1.477 CCC(=O)NCCC1CCCC1 WXVL_AK00531SB0064 [1,0,0,1,0,0|1,0,1]=4 128 B12R1.477 CCC(=O)NCCC1CCCC1 WXVL_AK00531SB0064 [1,0,0,1,0,0|1,0,1]=4 129 B14R1.177 CCOCC(=O)NCCC1CCCC1 WXVL_AK00531SB0091 [0,1,0,1,0,0|1,0,1]=4 130 B14R1.177 CCOCC(=O)NCCC1CCCC1 WXVL_AK00531SB0091 [0,1,0,1,0,0|1,0,1]=4 131 B14R1.60 CCOC(=O)C(=O)NC1CCCCC1 WXVL_AK00480SB4144 [0,1,0,1,0,0|1,0,1]=4 132 B14R1.60 CCOC(=O)C(=O)NC1CCCCC1 WXVL_AK00480SB4144 [0,1,0,1,0,0|1,0,1]=4 133 B14R1.633 CCOC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB4144 [0,1,0,1,0,0|1,0,1]=4 134 B14R1.633 CCOC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB4144 [0,1,0,1,0,0|1,0,1]=4 135 B14R1.3348 CCOC(=O)C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB4144 [0,1,0,1,0,0|1,0,1]=4 136 B14R1.7353 CCOC(=O)C(=O)NCCC1CCC1 WXVL_AK2418SB4144 [0,1,0,1,0,0|1,0,1]=4 137 B14R1.7353 CCOC(=O)C(=O)NCCC1CCC1 WXVL_AK2418SB4144 [0,1,0,1,0,0|1,0,1]=4