0 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,0,0,0,0,0|3,0,1]=4 1 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,0,0,0,0,0|3,0,1]=4 2 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [0,0,0,0,0,0|1,0,2]=3 3 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [0,0,0,0,0,0|1,0,2]=3 4 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,0,0,0,0,0|3,0,1]=4 5 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,0,0,0,0,0|3,0,1]=4 6 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [0,0,0,0,0,0|2,0,2]=4 7 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [1,0,0,0,0,0|1,0,2]=4 13 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [1,0,0,0,0,0|1,0,2]=4 14 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [1,0,0,0,0,0|2,0,1]=4 15 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [1,0,0,0,0,0|2,0,1]=4 16 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [1,0,0,0,0,0|2,0,1]=4 17 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [1,0,0,0,0,0|2,0,1]=4 18 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,0,0,0,0,0|3,0,0]=4 19 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,0,0,0,0,0|3,0,0]=4 20 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [1,0,0,0,0,0|1,0,2]=4 21 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [1,0,0,0,0,0|1,0,2]=4 22 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [1,0,0,0,0,0|1,0,1]=3 23 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [1,0,0,0,0,0|1,0,1]=3 24 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,0,0,0,0,0|2,0,0]=3 25 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,0,0,0,0,0|2,0,0]=3 26 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [1,0,0,0,0,0|3,0,0]=4 27 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [1,0,0,0,0,0|3,0,0]=4 28 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [1,0,0,0,0,0|3,0,0]=4 29 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [1,0,0,0,0,0|3,0,0]=4 30 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [1,0,0,0,0,0|2,0,1]=4 31 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [1,0,0,0,0,0|2,0,1]=4 32 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,1,0,0,0,0|1,0,2]=4 33 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,1,0,0,0,0|1,0,2]=4 34 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,1,0,0,0,0|2,0,1]=4 35 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,1,0,0,0,0|2,0,1]=4 36 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,1,0,0,0,0|2,0,1]=4 37 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,1,0,0,0,0|2,0,1]=4 38 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,1,0,0,0,0|2,0,1]=4 39 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,1,0,0,0,0|2,0,1]=4 40 B12R0.113 CCCCCNC(=O)CC(=O)OC WXVL_AK0076SB2790 [0,1,0,0,0,0|1,0,2]=4 41 B12R0.113 CCCCCNC(=O)CC(=O)OC WXVL_AK0076SB2790 [0,1,0,0,0,0|1,0,2]=4 42 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,1,0,0,0,0|1,0,2]=4 43 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,1,0,0,0,0|1,0,2]=4 44 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,1,0,0,0,0|1,0,2]=4 45 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,1,0,0,0,0|1,0,2]=4 46 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,1,0,0,0,0|1,0,2]=4 47 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,1,0,0,0,0|1,0,2]=4 48 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [0,1,0,0,0,0|2,0,1]=4 49 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [0,1,0,0,0,0|2,0,1]=4 50 B12R0.251 CCCCCCCCC(=O)N(C)C WXVL_AN0032SB0409 [0,1,0,0,0,0|1,0,2]=4 51 B12R0.251 CCCCCCCCC(=O)N(C)C WXVL_AN0032SB0409 [0,1,0,0,0,0|1,0,2]=4 52 B12R1.27 CNC(=O)/C=C/C1CCCCC1 WXVL_AK00442SB5384 [0,0,0,1,0,0|1,0,2]=4 53 B12R1.27 CNC(=O)/C=C/C1CCCCC1 WXVL_AK00442SB5384 [0,0,0,1,0,0|1,0,2]=4 54 B12R1.27 CNC(=O)CCC1CCCCC1 WXVL_AK00442SB0049 [0,0,0,1,0,0|1,0,2]=4 55 B12R1.27 CNC(=O)CCC1CCCCC1 WXVL_AK00442SB0049 [0,0,0,1,0,0|1,0,2]=4 56 B12R1.27 CNC(=O)COC1CCCCC1 WXVL_AK00442SB3400 [0,0,0,1,0,0|2,0,1]=4 57 B12R1.27 CNC(=O)COC1CCCCC1 WXVL_AK00442SB3400 [0,0,0,1,0,0|2,0,1]=4 58 B12R1.477 CCC(=O)NCCC1CCCC1 WXVL_AK00531SB0064 [0,0,0,1,0,0|2,0,1]=4 59 B12R1.477 CCC(=O)NCCC1CCCC1 WXVL_AK00531SB0064 [0,0,0,1,0,0|2,0,1]=4 60 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [2,0,0,0,0,0|2,0,0]=4 61 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [2,0,0,0,0,0|2,0,0]=4 62 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [2,0,0,0,0,0|1,0,1]=4 63 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [2,0,0,0,0,0|1,0,1]=4 64 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [2,0,0,0,0,0|1,0,0]=3 65 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [2,0,0,0,0,0|1,0,0]=3 66 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [2,0,0,0,0,0|2,0,0]=4 67 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [2,0,0,0,0,0|2,0,0]=4 68 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [2,0,0,0,0,0|2,0,0]=4 69 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [2,0,0,0,0,0|2,0,0]=4 70 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [2,0,0,0,0,0|2,0,0]=4 71 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [2,0,0,0,0,0|2,0,0]=4 72 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [2,0,0,0,0,0|2,0,0]=4 73 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [2,0,0,0,0,0|2,0,0]=4 74 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [1,1,0,0,0,0|1,0,1]=4 75 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [1,1,0,0,0,0|1,0,1]=4 76 B11R0.46 CCCCNC(=O)C#CC(=O)O WXVL_AK00588SB1110 [1,1,0,0,0,0|1,0,1]=4 77 B11R0.46 CCCCNC(=O)C#CC(=O)O WXVL_AK00588SB1110 [1,1,0,0,0,0|1,0,1]=4 78 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [1,1,0,0,0,0|0,0,2]=4 79 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [1,1,0,0,0,0|0,0,2]=4 80 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [1,1,0,0,0,0|1,0,1]=4 81 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [1,1,0,0,0,0|1,0,1]=4 82 B11R0.70 CCCCC(C)CCC(=O)NC WXVL_AK00442SB1315 [1,1,0,0,0,0|1,0,1]=4 83 B11R0.70 CCCCC(C)CCC(=O)NC WXVL_AK00442SB1315 [1,1,0,0,0,0|1,0,1]=4 84 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [0,2,0,0,0,0|0,0,2]=4 85 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [0,2,0,0,0,0|0,0,2]=4 86 B13R0.2 CCCCOCCCNC(=O)COC WXVL_AK2310SB0090 [0,2,0,0,0,0|1,0,1]=4 87 B13R0.2 CCCCOCCCNC(=O)COC WXVL_AK2310SB0090 [0,2,0,0,0,0|1,0,1]=4 88 B13R0.275 CCCCCCNC(=O)C(=O)OCC WXVL_AK0286SB4144 [0,2,0,0,0,0|1,0,1]=4 89 B13R0.275 CCCCCCNC(=O)C(=O)OCC WXVL_AK0286SB4144 [0,2,0,0,0,0|1,0,1]=4 90 B13R0.274 CCCCCCNC(=O)CC(=O)OC WXVL_AK0286SB2790 [0,2,0,0,0,0|0,0,2]=4 91 B13R0.274 CCCCCCNC(=O)CC(=O)OC WXVL_AK0286SB2790 [0,2,0,0,0,0|0,0,2]=4 92 B11R1.172 CC(=O)NCCC1CCCC1 WXVL_AK00531SB0150 [1,0,0,1,0,0|1,0,1]=4 93 B11R1.172 CC(=O)NCCC1CCCC1 WXVL_AK00531SB0150 [1,0,0,1,0,0|1,0,1]=4 94 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [1,0,0,1,0,0|2,0,0]=4 95 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [1,0,0,1,0,0|2,0,0]=4 96 B11R1.25 CNC(=O)CCC1CCCC1 WXVL_AK00442SB0045 [1,0,0,1,0,0|1,0,1]=4 97 B11R1.25 CNC(=O)CCC1CCCC1 WXVL_AK00442SB0045 [1,0,0,1,0,0|1,0,1]=4 98 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [1,0,0,1,0,0|2,0,0]=4 99 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [1,0,0,1,0,0|2,0,0]=4 100 B11R1.222 CCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0064 [1,0,0,1,0,0|2,0,0]=4 101 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [1,0,0,1,0,0|2,0,0]=4 102 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [1,0,0,1,0,0|2,0,0]=4 103 B11R1.852 CNC(=O)C1CCCCCC1 WXVL_AK00442SB0385 [1,0,0,1,0,0|1,0,1]=4 104 B11R1.852 CNC(=O)C1CCCCCC1 WXVL_AK00442SB0385 [1,0,0,1,0,0|1,0,1]=4 105 B13R1.404 COCC(=O)NCCC1CCCC1 WXVL_AK00531SB0090 [0,1,0,1,0,0|1,0,1]=4 106 B13R1.404 COCC(=O)NCCC1CCCC1 WXVL_AK00531SB0090 [0,1,0,1,0,0|1,0,1]=4