0 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [0,0,0,0,0,0|1,0,0]=1 1 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [0,0,0,0,0,0|1,0,0]=1 2 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [0,0,0,0,0,0|1,0,0]=1 3 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [0,0,0,0,0,0|1,0,0]=1 4 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [0,0,0,0,0,0|2,0,0]=2 5 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [0,0,0,0,0,0|2,0,0]=2 6 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [1,0,0,0,0,0|2,0,0]=3 7 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [1,0,0,0,0,0|2,0,0]=3 8 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [1,0,0,0,0,0|1,0,0]=2 9 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [1,0,0,0,0,0|1,0,0]=2 10 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [1,0,0,0,0,0|2,0,0]=3 11 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [1,0,0,0,0,0|2,0,0]=3 12 B10R0.4 COCCOCCNC(=O)C WXVL_AK2206SB0150 [1,0,0,0,0,0|3,0,0]=4 13 B10R0.4 COCCOCCNC(=O)C WXVL_AK2206SB0150 [1,0,0,0,0,0|3,0,0]=4 14 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [1,0,0,0,0,0|2,0,0]=3 15 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [1,0,0,0,0,0|2,0,0]=3 16 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [1,0,0,0,0,0|2,0,0]=3 17 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [1,0,0,0,0,0|2,0,0]=3 18 B12R0.4 CCCCCCCC(O)CC(=O)N WXVL_AK0084SB4065 [0,1,0,0,0,0|1,0,0]=2 19 B12R0.4 CCCCCCCC(O)CC(=O)N WXVL_AK0084SB4065 [0,1,0,0,0,0|1,0,0]=2 20 B12R0.184 COC(=O)CCCCCCC(=O)N WXVL_AK0084SB3124 [0,1,0,0,0,0|2,0,1]=4 21 B12R0.184 COC(=O)CCCCCCC(=O)N WXVL_AK0084SB3124 [0,1,0,0,0,0|2,0,1]=4 22 B12R0.184 COC(=O)CCCCCNC(=O)C WXVL_AK00438SB0150 [0,1,0,0,0,0|2,0,1]=4 23 B12R0.184 COC(=O)CCCCCNC(=O)C WXVL_AK00438SB0150 [0,1,0,0,0,0|2,0,1]=4 24 B12R0.233 CCCCNC(=O)CCNC(=O)C WXVL_AK00588SB0374 [0,1,0,0,0,0|2,0,1]=4 25 B12R0.233 CCCCNC(=O)CCNC(=O)C WXVL_AK00588SB0374 [0,1,0,0,0,0|2,0,1]=4 26 B12R0.234 C=CCCCCCCCCC(=O)N WXVL_AK0084SB0481 [0,1,0,0,0,0|1,0,1]=3 27 B12R0.234 C=CCCCCCCCCC(=O)N WXVL_AK0084SB0481 [0,1,0,0,0,0|1,0,1]=3 28 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [0,1,0,0,0,0|1,0,0]=2 29 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [0,1,0,0,0,0|1,0,0]=2 30 B12R0.234 CC(=O)NCCOCCOCCO WXVL_AK1950SB0150 [0,1,0,0,0,0|3,0,0]=4 31 B12R0.234 CC(=O)NCCOCCOCCO WXVL_AK1950SB0150 [0,1,0,0,0,0|3,0,0]=4 32 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [0,1,0,0,0,0|1,0,0]=2 33 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [0,1,0,0,0,0|1,0,0]=2 34 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [0,1,0,0,0,0|0,0,0]=1 35 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [0,1,0,0,0,0|0,0,0]=1 36 B12R0.248 C#CC(=O)NCCCCCCCC WXVL_AK1818SB0338 [0,1,0,0,0,0|1,0,1]=3 37 B12R0.248 C#CC(=O)NCCCCCCCC WXVL_AK1818SB0338 [0,1,0,0,0,0|1,0,1]=3 38 B12R0.248 C#CC(=O)NCCCOCCCC WXVL_AK2310SB0338 [0,1,0,0,0,0|2,0,1]=4 39 B12R0.248 C#CC(=O)NCCCOCCCC WXVL_AK2310SB0338 [0,1,0,0,0,0|2,0,1]=4 40 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,1,0,0,0,0|0,0,0]=1 41 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,1,0,0,0,0|0,0,0]=1 42 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,1,0,0,0,0|1,0,0]=2 43 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,1,0,0,0,0|1,0,0]=2 44 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [0,1,0,0,0,0|1,0,0]=2 45 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [0,1,0,0,0,0|1,0,0]=2 46 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,1,0,0,0,0|1,0,0]=2 47 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,1,0,0,0,0|1,0,0]=2 48 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [0,1,0,0,0,0|2,0,0]=3 49 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [0,1,0,0,0,0|2,0,0]=3 50 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [0,1,0,0,0,0|2,0,0]=3 51 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [0,1,0,0,0,0|2,0,0]=3 52 B12R0.251 CC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0051 [0,1,0,0,0,0|2,0,1]=4 53 B12R0.251 CC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0051 [0,1,0,0,0,0|2,0,1]=4 54 B12R0.251 CCCCCCCCC(=O)N(C)C WXVL_AN0032SB0409 [0,1,0,0,0,0|2,0,1]=4 55 B12R0.251 CCCCCCCCC(=O)N(C)C WXVL_AN0032SB0409 [0,1,0,0,0,0|2,0,1]=4 56 B12R0.251 CCCCOCCNC(=O)C(=O)C WXVL_AK9674SB0051 [0,1,0,0,0,0|2,0,1]=4 57 B12R0.251 CCCCOCCNC(=O)C(=O)C WXVL_AK9674SB0051 [0,1,0,0,0,0|2,0,1]=4 58 B12R0.255 CC(=O)CCC(=O)NCCCCO WXVL_AK0075SB0072 [0,1,0,0,0,0|2,0,1]=4 59 B12R0.255 CC(=O)CCC(=O)NCCCCO WXVL_AK0075SB0072 [0,1,0,0,0,0|2,0,1]=4 60 B12R0.255 CCCCCNC(=O)CCC(=O)C WXVL_AK0076SB0072 [0,1,0,0,0,0|1,0,1]=3 61 B12R0.255 CCCCCNC(=O)CCC(=O)C WXVL_AK0076SB0072 [0,1,0,0,0,0|1,0,1]=3 62 B12R0.255 CCCCCNC(=O)CCC(=O)N WXVL_AK0076SB0358 [0,1,0,0,0,0|2,0,1]=4 63 B12R0.255 CCCCCNC(=O)CCC(=O)N WXVL_AK0076SB0358 [0,1,0,0,0,0|2,0,1]=4 64 B12R0.255 CCCCCNC(=O)CNC(=O)C WXVL_AK0076SB0357 [0,1,0,0,0,0|2,0,1]=4 65 B12R0.255 CCCCCNC(=O)CNC(=O)C WXVL_AK0076SB0357 [0,1,0,0,0,0|2,0,1]=4 66 B12R0.255 CCCCCNC(=O)COC(=O)C WXVL_AK0076SB2824 [0,1,0,0,0,0|2,0,1]=4 67 B12R0.255 CCCCCNC(=O)COC(=O)C WXVL_AK0076SB2824 [0,1,0,0,0,0|2,0,1]=4 68 B12R0.255 CCCCCNC(=O)CSC(=O)C WXVL_AK0076SB3992 [0,1,0,0,0,0|2,0,1]=4 69 B12R0.255 CCCCCNC(=O)CSC(=O)C WXVL_AK0076SB3992 [0,1,0,0,0,0|2,0,1]=4 70 B12R0.255 CCSCCNC(=O)CCC(=O)C WXVL_AK00494SB0072 [0,1,0,0,0,0|2,0,1]=4 71 B12R0.255 CCSCCNC(=O)CCC(=O)C WXVL_AK00494SB0072 [0,1,0,0,0,0|2,0,1]=4 72 B12R0.255 COCCCNC(=O)CCC(=O)C WXVL_AK00637SB0072 [0,1,0,0,0,0|2,0,1]=4 73 B12R0.255 COCCCNC(=O)CCC(=O)C WXVL_AK00637SB0072 [0,1,0,0,0,0|2,0,1]=4 74 B12R0.255 CSCCCNC(=O)CCC(=O)C WXVL_AK0965SB0072 [0,1,0,0,0,0|2,0,1]=4 75 B12R0.255 CSCCCNC(=O)CCC(=O)C WXVL_AK0965SB0072 [0,1,0,0,0,0|2,0,1]=4 76 B12R0.268 CC(=O)NCCCCCNC(=O)C WXVL_AK4207SB0150 [0,1,0,0,0,0|2,0,1]=4 77 B12R0.268 CC(=O)NCCCCCNC(=O)C WXVL_AK4207SB0150 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.130 CC(=O)NCCC1CCCN1C WXVL_AK2343SB0150 [0,0,0,1,0,0|2,0,0]=3 79 B12R1.130 CC(=O)NCCC1CCCN1C WXVL_AK2343SB0150 [0,0,0,1,0,0|2,0,0]=3 80 B12R1.252 CC(=O)NCCC1CCCCC1 WXVL_AK1287SB0150 [0,0,0,1,0,0|1,0,0]=2 81 B12R1.252 CC(=O)NCCC1CCCCC1 WXVL_AK1287SB0150 [0,0,0,1,0,0|1,0,0]=2 82 B12R1.252 CC(=O)NCCC1CCOCC1 WXVL_AK0294SB0150 [0,0,0,1,0,0|2,0,0]=3 83 B12R1.252 CC(=O)NCCC1CCOCC1 WXVL_AK0294SB0150 [0,0,0,1,0,0|2,0,0]=3 84 B12R1.252 CC(=O)NCCN1CCCCC1 WXVL_AK0023SB0150 [0,0,0,1,0,0|2,0,0]=3 85 B12R1.252 CC(=O)NCCN1CCCCC1 WXVL_AK0023SB0150 [0,0,0,1,0,0|2,0,0]=3 86 B12R1.252 CC(=O)NCCN1CCOCC1 WXVL_AK0016SB0150 [0,0,0,1,0,0|3,0,0]=4 87 B12R1.252 CC(=O)NCCN1CCOCC1 WXVL_AK0016SB0150 [0,0,0,1,0,0|3,0,0]=4 88 B12R1.255 CC(=O)NCCCN1CCCC1 WXVL_AK0085SB0150 [0,0,0,1,0,0|2,0,0]=3 89 B12R1.255 CC(=O)NCCCN1CCCC1 WXVL_AK0085SB0150 [0,0,0,1,0,0|2,0,0]=3 90 B12R1.255 CC(=O)NCCOC1CCCC1 WXVL_AK3996SB0150 [0,0,0,1,0,0|2,0,0]=3 91 B12R1.255 CC(=O)NCCOC1CCCC1 WXVL_AK3996SB0150 [0,0,0,1,0,0|2,0,0]=3 92 B12R1.255 NC(=O)CCCCC1CCSS1 WXVL_AK0084SB1230 [0,0,0,1,0,0|3,0,0]=4 93 B12R1.255 NC(=O)CCCCC1CCSS1 WXVL_AK0084SB1230 [0,0,0,1,0,0|3,0,0]=4 94 B12R1.283 CC(=O)N1CCCCC1CCO WXVL_AN2918SB0150 [0,0,0,1,0,0|2,0,0]=3 95 B12R1.283 CC(=O)N1CCCC[C@@H]1CCO WXVL_AN00657SB0150 [0,0,0,1,0,0|2,0,0]=3 96 B12R1.283 COCC1CCCCN1C(=O)C WXVL_AN0507SB0150 [0,0,0,1,0,0|2,0,0]=3 97 B12R1.283 COCC1CCCCN1C(=O)C WXVL_AN0507SB0150 [0,0,0,1,0,0|2,0,0]=3 98 B12R1.283 COC[C@H]1COCCN1C(=O)C WXVL_AN00791SB0150 [0,0,0,1,0,0|3,0,0]=4 99 B12R1.386 CCCCC1CCCN1C(=O)C WXVL_AN00739SB0150 [0,0,0,1,0,0|1,0,0]=2 100 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [2,0,0,0,0,0|2,0,0]=4 101 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [2,0,0,0,0,0|2,0,0]=4 102 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [2,0,0,0,0,0|1,0,0]=3 103 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [2,0,0,0,0,0|1,0,0]=3 104 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [2,0,0,0,0,0|1,0,0]=3 105 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [2,0,0,0,0,0|1,0,0]=3 106 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [2,0,0,0,0,0|2,0,0]=4 107 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [2,0,0,0,0,0|2,0,0]=4 108 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [2,0,0,0,0,0|2,0,0]=4 109 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [2,0,0,0,0,0|2,0,0]=4 110 B11R0.30 CC(=O)NCCCCCN(C)C WXVL_AK0956SB0150 [1,1,0,0,0,0|2,0,0]=4 111 B11R0.30 CC(=O)NCCCCCN(C)C WXVL_AK0956SB0150 [1,1,0,0,0,0|2,0,0]=4 112 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [1,1,0,0,0,0|2,0,0]=4 113 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [1,1,0,0,0,0|2,0,0]=4 114 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [1,1,0,0,0,0|0,0,0]=2 115 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [1,1,0,0,0,0|0,0,0]=2 116 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [1,1,0,0,0,0|2,0,0]=4 117 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [1,1,0,0,0,0|2,0,0]=4 118 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [1,1,0,0,0,0|2,0,0]=4 119 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [1,1,0,0,0,0|2,0,0]=4 120 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [1,1,0,0,0,0|1,0,0]=3 121 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [1,1,0,0,0,0|1,0,0]=3 122 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [1,1,0,0,0,0|1,0,0]=3 123 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [1,1,0,0,0,0|1,0,0]=3 124 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [1,1,0,0,0,0|2,0,0]=4 125 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [1,1,0,0,0,0|2,0,0]=4 126 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [1,1,0,0,0,0|1,0,1]=4 127 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [1,1,0,0,0,0|1,0,1]=4 128 B11R0.46 CCCCNC(=O)CCC(=O)C WXVL_AK00588SB0072 [1,1,0,0,0,0|1,0,1]=4 129 B11R0.46 CCCCNC(=O)CCC(=O)C WXVL_AK00588SB0072 [1,1,0,0,0,0|1,0,1]=4 130 B11R0.159 CCCCCCCCS(=O)(=O)N WXVL_AK0084HU0331 [1,1,0,0,0,0|2,0,0]=4 131 B11R0.159 CCCCCCCCS(=O)(=O)N WXVL_AK0084HU0331 [1,1,0,0,0,0|2,0,0]=4 132 B13R0.274 CCCCCCCC(O)CC(=O)NC WXVL_AK00442SB4065 [0,2,0,0,0,0|0,0,0]=2 133 B13R0.274 CCCCCCCC(O)CC(=O)NC WXVL_AK00442SB4065 [0,2,0,0,0,0|0,0,0]=2 134 B13R0.274 CCCCCCNC(=O)CC(=O)OC WXVL_AK0286SB2790 [0,2,0,0,0,0|1,0,1]=4 135 B13R0.274 CCCCCCNC(=O)CC(=O)OC WXVL_AK0286SB2790 [0,2,0,0,0,0|1,0,1]=4 136 B13R0.113 CCCNC(=O)CCCCC(=O)OC WXVL_AK00504SB1209 [0,2,0,0,0,0|1,0,1]=4 137 B13R0.113 CCCNC(=O)CCCCC(=O)OC WXVL_AK00504SB1209 [0,2,0,0,0,0|1,0,1]=4 138 B13R0.280 CCCCCCCCCCS(=O)(=O)N WXVL_AK0084HU0549 [0,2,0,0,0,0|2,0,0]=4 139 B13R0.280 CCCCCCCCCCS(=O)(=O)N WXVL_AK0084HU0549 [0,2,0,0,0,0|2,0,0]=4 140 B13R0.1215 CCCCCCCCNS(=O)(=O)CC WXVL_AK1818HU0028 [0,2,0,0,0,0|2,0,0]=4 141 B13R0.1215 CCCCCCCCNS(=O)(=O)CC WXVL_AK1818HU0028 [0,2,0,0,0,0|2,0,0]=4 142 B13R0.201 CCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB0064 [0,2,0,0,0,0|1,0,1]=4 143 B13R0.201 CCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB0064 [0,2,0,0,0,0|1,0,1]=4 144 B13R0.201 CNC(=O)CCCCCCC(=O)OC WXVL_AK00442SB3124 [0,2,0,0,0,0|1,0,1]=4 145 B13R0.201 CNC(=O)CCCCCCC(=O)OC WXVL_AK00442SB3124 [0,2,0,0,0,0|1,0,1]=4 146 B13R0.1 CCCCCNC(=O)CCNC(=O)C WXVL_AK0076SB0374 [0,2,0,0,0,0|1,0,1]=4 147 B13R0.1 CCCCCNC(=O)CCNC(=O)C WXVL_AK0076SB0374 [0,2,0,0,0,0|1,0,1]=4 148 B13R0.54 CC(=O)NCCCOCCOCCO WXVL_AK9828SB0150 [0,2,0,0,0,0|2,0,0]=4 149 B13R0.54 CC(=O)NCCCOCCOCCO WXVL_AK9828SB0150 [0,2,0,0,0,0|2,0,0]=4 150 B13R0.54 CCCCCCCCCCCC(=O)N WXVL_AK0084SB2796 [0,2,0,0,0,0|1,0,0]=3 151 B13R0.54 CCCCCCCCCCCC(=O)N WXVL_AK0084SB2796 [0,2,0,0,0,0|1,0,0]=3 152 B13R0.54 CCCCCCCCCCNC(=O)C WXVL_AK1845SB0150 [0,2,0,0,0,0|0,0,0]=2 153 B13R0.54 CCCCCCCCCCNC(=O)C WXVL_AK1845SB0150 [0,2,0,0,0,0|0,0,0]=2 154 B13R0.54 COCCOCCOCCNC(=O)C WXVL_AK1800SB0150 [0,2,0,0,0,0|2,0,0]=4 155 B13R0.54 COCCOCCOCCNC(=O)C WXVL_AK1800SB0150 [0,2,0,0,0,0|2,0,0]=4 156 B13R0.147 C#CC(=O)NCCCCCCCCC WXVL_AK1826SB0338 [0,2,0,0,0,0|0,0,1]=3 157 B13R0.147 C#CC(=O)NCCCCCCCCC WXVL_AK1826SB0338 [0,2,0,0,0,0|0,0,1]=3 158 B13R0.147 C#CC(=O)NCCCCCCCCO WXVL_AK4142SB0338 [0,2,0,0,0,0|1,0,1]=4 159 B13R0.147 C#CC(=O)NCCCCCCCCO WXVL_AK4142SB0338 [0,2,0,0,0,0|1,0,1]=4 160 B13R0.147 C=CCCCCCCCCC(=O)NC WXVL_AK00442SB0481 [0,2,0,0,0,0|0,0,1]=3 161 B13R0.147 C=CCCCCCCCCC(=O)NC WXVL_AK00442SB0481 [0,2,0,0,0,0|0,0,1]=3 162 B13R0.147 CCC(=O)NCCCCCCCCO WXVL_AK4142SB0064 [0,2,0,0,0,0|1,0,0]=3 163 B13R0.147 CCC(=O)NCCCCCCCCO WXVL_AK4142SB0064 [0,2,0,0,0,0|1,0,0]=3 164 B13R0.147 CCCCCCCCCCC(=O)NC WXVL_AK00442SB0490 [0,2,0,0,0,0|0,0,0]=2 165 B13R0.147 CCCCCCCCCCC(=O)NC WXVL_AK00442SB0490 [0,2,0,0,0,0|0,0,0]=2 166 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [0,2,0,0,0,0|0,0,0]=2 167 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [0,2,0,0,0,0|0,0,0]=2 168 B13R0.147 CCCCCCCCCNC(=O)CO WXVL_AK1826SB2706 [0,2,0,0,0,0|0,0,0]=2 169 B13R0.147 CCCCCCCCCNC(=O)CO WXVL_AK1826SB2706 [0,2,0,0,0,0|0,0,0]=2 170 B13R0.147 O=C(CO)NCCCCCCCCO WXVL_AK4142SB2706 [0,2,0,0,0,0|1,0,0]=3 171 B13R0.147 O=C(CO)NCCCCCCCCO WXVL_AK4142SB2706 [0,2,0,0,0,0|1,0,0]=3 172 B13R0.150 C=C(F)C(=O)NCCCCCCCC WXVL_AK1818SB1376 [0,2,0,0,0,0|1,0,1]=4 173 B13R0.150 C=C(F)C(=O)NCCCCCCCC WXVL_AK1818SB1376 [0,2,0,0,0,0|1,0,1]=4 174 B13R0.150 CCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0447 [0,2,0,0,0,0|0,0,0]=2 175 B13R0.150 CCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0447 [0,2,0,0,0,0|0,0,0]=2 176 B13R0.150 CCCCCCCCNC(=O)C(=O)C WXVL_AK1818SB0051 [0,2,0,0,0,0|0,0,1]=3 177 B13R0.150 CCCCCCCCNC(=O)C(=O)C WXVL_AK1818SB0051 [0,2,0,0,0,0|0,0,1]=3 178 B13R0.150 CCCCCCCCNC(=O)C(=O)N WXVL_AK1818SB0128 [0,2,0,0,0,0|1,0,1]=4 179 B13R0.150 CCCCCCCCNC(=O)C(=O)N WXVL_AK1818SB0128 [0,2,0,0,0,0|1,0,1]=4 180 B13R0.150 CCCCCCCCNC(=O)C(C)C WXVL_AK1818SB0052 [0,2,0,0,0,0|1,0,0]=3 181 B13R0.150 CCCCCCCCNC(=O)C(C)C WXVL_AK1818SB0052 [0,2,0,0,0,0|1,0,0]=3 182 B13R0.150 CCCCCCCCNC(=O)C(C)S WXVL_AK1818SB2708 [0,2,0,0,0,0|1,0,0]=3 183 B13R0.150 CCCCCCCCNC(=O)C(C)S WXVL_AK1818SB2708 [0,2,0,0,0,0|1,0,0]=3 184 B13R0.150 CCCCCCCCNC(=O)C(F)F WXVL_AK1818SB0079 [0,2,0,0,0,0|1,0,0]=3 185 B13R0.150 CCCCCCCCNC(=O)C(F)F WXVL_AK1818SB0079 [0,2,0,0,0,0|1,0,0]=3 186 B13R0.150 CCCCCCCCNC(=O)N(C)C WXVL_AN0032YV0182 [0,2,0,0,0,0|1,0,0]=3 187 B13R0.150 CCCCCCCCNC(=O)N(C)C WXVL_AN0032YV0182 [0,2,0,0,0,0|1,0,0]=3 188 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1818SB1085 [0,2,0,0,0,0|1,0,0]=3 189 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1818SB1085 [0,2,0,0,0,0|1,0,0]=3 190 B13R0.150 CCCCOCCCNC(=O)C(=O)C WXVL_AK2310SB0051 [0,2,0,0,0,0|1,0,1]=4 191 B13R0.150 CCCCOCCCNC(=O)C(=O)C WXVL_AK2310SB0051 [0,2,0,0,0,0|1,0,1]=4 192 B13R0.150 CCCCOCCCNC(=O)C(C)C WXVL_AK2310SB0052 [0,2,0,0,0,0|2,0,0]=4 193 B13R0.150 CCCCOCCCNC(=O)C(C)C WXVL_AK2310SB0052 [0,2,0,0,0,0|2,0,0]=4 194 B13R0.150 CCCCOCCCNC(=O)C(C)S WXVL_AK2310SB2708 [0,2,0,0,0,0|2,0,0]=4 195 B13R0.150 CCCCOCCCNC(=O)C(C)S WXVL_AK2310SB2708 [0,2,0,0,0,0|2,0,0]=4 196 B13R0.150 CCCCOCCCNC(=O)C(F)F WXVL_AK2310SB0079 [0,2,0,0,0,0|2,0,0]=4 197 B13R0.150 CCCCOCCCNC(=O)C(F)F WXVL_AK2310SB0079 [0,2,0,0,0,0|2,0,0]=4 198 B13R0.150 CCCCOCCCNC(=O)[C@@H](C)O WXVL_AK2310SB1085 [0,2,0,0,0,0|2,0,0]=4 199 B13R0.150 CCCCOCCCNC(=O)[C@@H](C)O WXVL_AK2310SB1085 [0,2,0,0,0,0|2,0,0]=4 200 B13R0.154 C=C(C)CNC(=O)CCCCCCC WXVL_AK0761SB0393 [0,2,0,0,0,0|1,0,1]=4 201 B13R0.154 C=C(C)CNC(=O)CCCCCCC WXVL_AK0761SB0393 [0,2,0,0,0,0|1,0,1]=4 202 B13R0.154 CC(=O)CCC(=O)NCCCCCO WXVL_AK0077SB0072 [0,2,0,0,0,0|1,0,1]=4 203 B13R0.154 CC(=O)CCC(=O)NCCCCCO WXVL_AK0077SB0072 [0,2,0,0,0,0|1,0,1]=4 204 B13R0.154 CCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0393 [0,2,0,0,0,0|1,0,1]=4 205 B13R0.154 CCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0393 [0,2,0,0,0,0|1,0,1]=4 206 B13R0.154 CCCCCCNC(=O)CCC(=O)C WXVL_AK0286SB0072 [0,2,0,0,0,0|0,0,1]=3 207 B13R0.154 CCCCCCNC(=O)CCC(=O)C WXVL_AK0286SB0072 [0,2,0,0,0,0|0,0,1]=3 208 B13R0.154 CCCCCCNC(=O)CCC(=O)N WXVL_AK0286SB0358 [0,2,0,0,0,0|1,0,1]=4 209 B13R0.154 CCCCCCNC(=O)CCC(=O)N WXVL_AK0286SB0358 [0,2,0,0,0,0|1,0,1]=4 210 B13R0.154 CCCCCCNC(=O)CNC(=O)C WXVL_AK0286SB0357 [0,2,0,0,0,0|1,0,1]=4 211 B13R0.154 CCCCCCNC(=O)CNC(=O)C WXVL_AK0286SB0357 [0,2,0,0,0,0|1,0,1]=4 212 B13R0.154 CCCCCCNC(=O)COC(=O)C WXVL_AK0286SB2824 [0,2,0,0,0,0|1,0,1]=4 213 B13R0.154 CCCCCCNC(=O)COC(=O)C WXVL_AK0286SB2824 [0,2,0,0,0,0|1,0,1]=4 214 B13R0.154 CCCCCCNC(=O)CSC(=O)C WXVL_AK0286SB3992 [0,2,0,0,0,0|1,0,1]=4 215 B13R0.154 CCCCCCNC(=O)CSC(=O)C WXVL_AK0286SB3992 [0,2,0,0,0,0|1,0,1]=4 216 B13R0.154 CCOCCCNC(=O)CCC(=O)C WXVL_AK0072SB0072 [0,2,0,0,0,0|1,0,1]=4 217 B13R0.154 CCOCCCNC(=O)CCC(=O)C WXVL_AK0072SB0072 [0,2,0,0,0,0|1,0,1]=4 218 B13R0.202 CCC(=O)NCCCCCNC(=O)C WXVL_AK4207SB0064 [0,2,0,0,0,0|1,0,1]=4 219 B13R0.202 CCC(=O)NCCCCCNC(=O)C WXVL_AK4207SB0064 [0,2,0,0,0,0|1,0,1]=4 220 B13R0.202 COC(=O)CCCCCCNC(=O)C WXVL_AK00211SB0150 [0,2,0,0,0,0|1,0,1]=4 221 B13R0.202 COC(=O)CCCCCCNC(=O)C WXVL_AK00211SB0150 [0,2,0,0,0,0|1,0,1]=4 222 B13R0.2 C#CCC(=O)NCCCCCCCC WXVL_AK1818SB3070 [0,2,0,0,0,0|1,0,0]=3 223 B13R0.2 C#CCC(=O)NCCCCCCCC WXVL_AK1818SB3070 [0,2,0,0,0,0|1,0,0]=3 224 B13R0.2 C#CCC(=O)NCCCOCCCC WXVL_AK2310SB3070 [0,2,0,0,0,0|2,0,0]=4 225 B13R0.2 C#CCC(=O)NCCCOCCCC WXVL_AK2310SB3070 [0,2,0,0,0,0|2,0,0]=4 226 B13R0.2 C/C=C/C(=O)NCCCCCCCC WXVL_AK1818SB0340 [0,2,0,0,0,0|1,0,0]=3 227 B13R0.2 C/C=C/C(=O)NCCCCCCCC WXVL_AK1818SB0340 [0,2,0,0,0,0|1,0,0]=3 228 B13R0.2 C/C=C/C(=O)NCCCOCCCC WXVL_AK2310SB0340 [0,2,0,0,0,0|2,0,0]=4 229 B13R0.2 C/C=C/C(=O)NCCCOCCCC WXVL_AK2310SB0340 [0,2,0,0,0,0|2,0,0]=4 230 B13R0.2 C=CCC(=O)NCCCCCCCC WXVL_AK1818SB2732 [0,2,0,0,0,0|1,0,0]=3 231 B13R0.2 C=CCC(=O)NCCCCCCCC WXVL_AK1818SB2732 [0,2,0,0,0,0|1,0,0]=3 232 B13R0.2 C=CCC(=O)NCCCOCCCC WXVL_AK2310SB2732 [0,2,0,0,0,0|2,0,0]=4 233 B13R0.2 C=CCC(=O)NCCCOCCCC WXVL_AK2310SB2732 [0,2,0,0,0,0|2,0,0]=4 234 B13R0.2 CC#CC(=O)NCCCCCCCC WXVL_AK1818SB1240 [0,2,0,0,0,0|1,0,0]=3 235 B13R0.2 CC#CC(=O)NCCCCCCCC WXVL_AK1818SB1240 [0,2,0,0,0,0|1,0,0]=3 236 B13R0.2 CC#CC(=O)NCCCOCCCC WXVL_AK2310SB1240 [0,2,0,0,0,0|2,0,0]=4 237 B13R0.2 CC#CC(=O)NCCCOCCCC WXVL_AK2310SB1240 [0,2,0,0,0,0|2,0,0]=4 238 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,2,0,0,0,0|0,0,0]=2 239 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,2,0,0,0,0|0,0,0]=2 240 B13R0.2 CCCCCCCCNC(=O)CC#N WXVL_AK1818SB0057 [0,2,0,0,0,0|1,0,0]=3 241 B13R0.2 CCCCCCCCNC(=O)CC#N WXVL_AK1818SB0057 [0,2,0,0,0,0|1,0,0]=3 242 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,2,0,0,0,0|1,0,0]=3 243 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,2,0,0,0,0|1,0,0]=3 244 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [0,2,0,0,0,0|1,0,0]=3 245 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [0,2,0,0,0,0|1,0,0]=3 246 B13R0.2 CCCCCCCCNC(=O)CSC WXVL_AK1818SB1267 [0,2,0,0,0,0|1,0,0]=3 247 B13R0.2 CCCCCCCCNC(=O)CSC WXVL_AK1818SB1267 [0,2,0,0,0,0|1,0,0]=3 248 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [0,2,0,0,0,0|1,0,0]=3 249 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [0,2,0,0,0,0|1,0,0]=3 250 B13R0.2 CCCCOCCCNC(=O)CC#N WXVL_AK2310SB0057 [0,2,0,0,0,0|2,0,0]=4 251 B13R0.2 CCCCOCCCNC(=O)CC#N WXVL_AK2310SB0057 [0,2,0,0,0,0|2,0,0]=4 252 B13R0.2 CCCCOCCCNC(=O)CCC WXVL_AK2310SB0073 [0,2,0,0,0,0|2,0,0]=4 253 B13R0.2 CCCCOCCCNC(=O)CCC WXVL_AK2310SB0073 [0,2,0,0,0,0|2,0,0]=4 254 B13R0.2 CCCCOCCCNC(=O)COC WXVL_AK2310SB0090 [0,2,0,0,0,0|2,0,0]=4 255 B13R0.2 CCCCOCCCNC(=O)COC WXVL_AK2310SB0090 [0,2,0,0,0,0|2,0,0]=4 256 B13R0.2 CCCCOCCCNC(=O)CSC WXVL_AK2310SB1267 [0,2,0,0,0,0|2,0,0]=4 257 B13R0.2 CCCCOCCCNC(=O)CSC WXVL_AK2310SB1267 [0,2,0,0,0,0|2,0,0]=4 258 B13R0.1170 CCCCCNC(=O)CCC(=O)OC WXVL_AK0076SB0069 [0,2,0,0,0,0|1,0,1]=4 259 B13R0.1170 CCCCCNC(=O)CCC(=O)OC WXVL_AK0076SB0069 [0,2,0,0,0,0|1,0,1]=4 260 B11R1.53 CC(=O)N1CCCCC1CO WXVL_AN0018SB0150 [1,0,0,1,0,0|2,0,0]=4 261 B11R1.53 CC(=O)N1CCCCC1CO WXVL_AN0018SB0150 [1,0,0,1,0,0|2,0,0]=4 262 B11R1.90 CC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0150 [1,0,0,1,0,0|2,0,0]=4 263 B11R1.90 CC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0150 [1,0,0,1,0,0|2,0,0]=4 264 B11R1.91 CC(=O)NCC1CCCCO1 WXVL_AK1232SB0150 [1,0,0,1,0,0|2,0,0]=4 265 B11R1.91 CC(=O)NCC1CCCCO1 WXVL_AK1232SB0150 [1,0,0,1,0,0|2,0,0]=4 266 B11R1.91 CC(=O)NCC1CCCOC1 WXVL_AK00150SB0150 [1,0,0,1,0,0|2,0,0]=4 267 B11R1.91 CC(=O)NCC1CCCOC1 WXVL_AK00150SB0150 [1,0,0,1,0,0|2,0,0]=4 268 B11R1.91 CC(=O)NCC1CCOCC1 WXVL_AK0150SB0150 [1,0,0,1,0,0|2,0,0]=4 269 B11R1.91 CC(=O)NCC1CCOCC1 WXVL_AK0150SB0150 [1,0,0,1,0,0|2,0,0]=4 270 B11R1.91 CC(=O)NCC1CCSCC1 WXVL_AK00654SB0150 [1,0,0,1,0,0|2,0,0]=4 271 B11R1.91 CC(=O)NCC1CCSCC1 WXVL_AK00654SB0150 [1,0,0,1,0,0|2,0,0]=4 272 B11R1.91 NC(=O)CCC1CCCCC1 WXVL_AK0084SB0049 [1,0,0,1,0,0|1,0,0]=3 273 B11R1.91 NC(=O)CCC1CCCCC1 WXVL_AK0084SB0049 [1,0,0,1,0,0|1,0,0]=3 274 B11R1.91 NC(=O)CCN1CCCCC1 WXVL_AK0084SB0127 [1,0,0,1,0,0|2,0,0]=4 275 B11R1.91 NC(=O)CCN1CCCCC1 WXVL_AK0084SB0127 [1,0,0,1,0,0|2,0,0]=4 276 B11R1.91 NC(=O)COC1CCCCC1 WXVL_AK0084SB3400 [1,0,0,1,0,0|2,0,0]=4 277 B11R1.91 NC(=O)COC1CCCCC1 WXVL_AK0084SB3400 [1,0,0,1,0,0|2,0,0]=4 278 B11R1.172 CC(=O)NCCC1CCCC1 WXVL_AK00531SB0150 [1,0,0,1,0,0|1,0,0]=3 279 B11R1.172 CC(=O)NCCC1CCCC1 WXVL_AK00531SB0150 [1,0,0,1,0,0|1,0,0]=3 280 B13R1.337 CC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0150 [0,1,0,1,0,0|0,0,0]=2 281 B13R1.337 CC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0150 [0,1,0,1,0,0|0,0,0]=2 282 B13R1.337 CC(=O)NCCCN1CCCCC1 WXVL_AK2569SB0150 [0,1,0,1,0,0|1,0,0]=3 283 B13R1.337 CC(=O)NCCCN1CCCCC1 WXVL_AK2569SB0150 [0,1,0,1,0,0|1,0,0]=3 284 B13R1.337 CC(=O)NCCCN1CCOCC1 WXVL_AK0017SB0150 [0,1,0,1,0,0|2,0,0]=4 285 B13R1.337 CC(=O)NCCCN1CCOCC1 WXVL_AK0017SB0150 [0,1,0,1,0,0|2,0,0]=4 286 B13R1.337 CC(=O)NCCOC1CCCCC1 WXVL_AK3994SB0150 [0,1,0,1,0,0|1,0,0]=3 287 B13R1.337 CC(=O)NCCOC1CCCCC1 WXVL_AK3994SB0150 [0,1,0,1,0,0|1,0,0]=3 288 B13R1.513 CC(=O)NCCN1CCC(CC1)C WXVL_AK0122SB0150 [0,1,0,1,0,0|2,0,0]=4 289 B13R1.513 CC(=O)NCCN1CCC(CC1)C WXVL_AK0122SB0150 [0,1,0,1,0,0|2,0,0]=4 290 B13R1.572 COCCC1CCCCN1C(=O)C WXVL_AN2371SB0150 [0,1,0,1,0,0|1,0,0]=3 291 B13R1.572 COCCC1CCCCN1C(=O)C WXVL_AN2371SB0150 [0,1,0,1,0,0|1,0,0]=3 292 B13R1.382 CCC(=O)N1CCCCC1CCO WXVL_AN2918SB0064 [0,1,0,1,0,0|2,0,0]=4 293 B13R1.382 CCC(=O)N1CCCCC1COC WXVL_AN0507SB0064 [0,1,0,1,0,0|2,0,0]=4 294 B13R1.382 CCC(=O)N1CCCCC1COC WXVL_AN0507SB0064 [0,1,0,1,0,0|2,0,0]=4 295 B13R1.382 CCC(=O)N1CCCC[C@@H]1CCO WXVL_AN00657SB0064 [0,1,0,1,0,0|2,0,0]=4 296 B13R1.382 COCC1CCCCN1C(=O)CO WXVL_AN0507SB2706 [0,1,0,1,0,0|2,0,0]=4 297 B13R1.382 COCC1CCCCN1C(=O)CO WXVL_AN0507SB2706 [0,1,0,1,0,0|2,0,0]=4 298 B13R1.382 O=C(CO)N1CCCCC1CCO WXVL_AN2918SB2706 [0,1,0,1,0,0|2,0,0]=4 299 B13R1.382 O=C(CO)N1CCCC[C@@H]1CCO WXVL_AN00657SB2706 [0,1,0,1,0,0|2,0,0]=4 300 B13R1.536 CCC(=O)NCCCN1CCCC1 WXVL_AK0085SB0064 [0,1,0,1,0,0|2,0,0]=4 301 B13R1.536 CCC(=O)NCCCN1CCCC1 WXVL_AK0085SB0064 [0,1,0,1,0,0|2,0,0]=4 302 B13R1.536 CCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0064 [0,1,0,1,0,0|2,0,0]=4 303 B13R1.536 CCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0064 [0,1,0,1,0,0|2,0,0]=4 304 B13R1.536 CNC(=O)CCCCC1CCSS1 WXVL_AK00442SB1230 [0,1,0,1,0,0|2,0,0]=4 305 B13R1.536 CNC(=O)CCCCC1CCSS1 WXVL_AK00442SB1230 [0,1,0,1,0,0|2,0,0]=4 306 B13R1.536 O=C(CO)NCCCN1CCCC1 WXVL_AK0085SB2706 [0,1,0,1,0,0|2,0,0]=4 307 B13R1.536 O=C(CO)NCCCN1CCCC1 WXVL_AK0085SB2706 [0,1,0,1,0,0|2,0,0]=4 308 B13R1.536 O=C(CO)NCCOC1CCCC1 WXVL_AK3996SB2706 [0,1,0,1,0,0|2,0,0]=4 309 B13R1.536 O=C(CO)NCCOC1CCCC1 WXVL_AK3996SB2706 [0,1,0,1,0,0|2,0,0]=4 310 B13R1.581 C#CC(=O)N1CCCC1CCCC WXVL_AN00739SB0338 [0,1,0,1,0,0|1,0,1]=4 311 B13R1.581 CCCCC1CCCN1C(=O)CC WXVL_AN00739SB0064 [0,1,0,1,0,0|1,0,0]=3 312 B13R1.581 CCCCC1CCCN1C(=O)CO WXVL_AN00739SB2706 [0,1,0,1,0,0|1,0,0]=3 313 B13R1.599 CCC(=O)NCCC1CCCN1C WXVL_AK2343SB0064 [0,1,0,1,0,0|2,0,0]=4 314 B13R1.599 CCC(=O)NCCC1CCCN1C WXVL_AK2343SB0064 [0,1,0,1,0,0|2,0,0]=4 315 B13R1.599 CN1CCCC1CCNC(=O)CO WXVL_AK2343SB2706 [0,1,0,1,0,0|2,0,0]=4 316 B13R1.599 CN1CCCC1CCNC(=O)CO WXVL_AK2343SB2706 [0,1,0,1,0,0|2,0,0]=4 317 B13R1.718 C#CC(=O)NCCC1CCCCC1 WXVL_AK1287SB0338 [0,1,0,1,0,0|1,0,1]=4 318 B13R1.718 C#CC(=O)NCCC1CCCCC1 WXVL_AK1287SB0338 [0,1,0,1,0,0|1,0,1]=4 319 B13R1.718 CCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0064 [0,1,0,1,0,0|1,0,0]=3 320 B13R1.718 CCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0064 [0,1,0,1,0,0|1,0,0]=3 321 B13R1.718 CCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0064 [0,1,0,1,0,0|2,0,0]=4 322 B13R1.718 CCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0064 [0,1,0,1,0,0|2,0,0]=4 323 B13R1.718 CCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0064 [0,1,0,1,0,0|2,0,0]=4 324 B13R1.718 CCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0064 [0,1,0,1,0,0|2,0,0]=4 325 B13R1.718 O=C(CO)NCCC1CCCCC1 WXVL_AK1287SB2706 [0,1,0,1,0,0|1,0,0]=3 326 B13R1.718 O=C(CO)NCCC1CCCCC1 WXVL_AK1287SB2706 [0,1,0,1,0,0|1,0,0]=3 327 B13R1.718 O=C(CO)NCCC1CCOCC1 WXVL_AK0294SB2706 [0,1,0,1,0,0|2,0,0]=4 328 B13R1.718 O=C(CO)NCCC1CCOCC1 WXVL_AK0294SB2706 [0,1,0,1,0,0|2,0,0]=4 329 B13R1.718 O=C(CO)NCCN1CCCCC1 WXVL_AK0023SB2706 [0,1,0,1,0,0|2,0,0]=4 330 B13R1.718 O=C(CO)NCCN1CCCCC1 WXVL_AK0023SB2706 [0,1,0,1,0,0|2,0,0]=4 331 B13R1.1110 CC(=O)C(=O)NCCC1CCCC1 WXVL_AK00531SB0051 [0,1,0,1,0,0|1,0,1]=4 332 B13R1.1110 CC(=O)C(=O)NCCC1CCCC1 WXVL_AK00531SB0051 [0,1,0,1,0,0|1,0,1]=4 333 B13R1.168 CC(=O)CCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0072 [0,1,0,1,0,0|1,0,1]=4 334 B13R1.1054 CC(=O)CCC(=O)NCC1CCC1 WXVL_AK00492SB0072 [0,1,0,1,0,0|1,0,1]=4 335 B13R1.1054 CC(=O)CCC(=O)NCC1CCC1 WXVL_AK00492SB0072 [0,1,0,1,0,0|1,0,1]=4 336 B13R1.1055 CC(=O)CCC(=O)NCCC1CC1 WXVL_AK00594SB0072 [0,1,0,1,0,0|1,0,1]=4 337 B13R1.1055 CC(=O)CCC(=O)NCCC1CC1 WXVL_AK00594SB0072 [0,1,0,1,0,0|1,0,1]=4 338 B13R1.589 CC(=O)N1CCOC[C@H]1CC(C)C WXVL_AN00804SB0150 [0,1,0,1,0,0|2,0,0]=4 339 B13R2.430 CC(=O)N1CCN2CCC[C@@H]2C1 WXVL_AN2926SB0150 [0,0,0,2,0,0|2,0,0]=4 340 B13R2.430 CC(=O)N1CCN2CCC[C@H]2C1 WXVL_AN00689SB0150 [0,0,0,2,0,0|2,0,0]=4 341 B13R2.430 CC(=O)N1CC[C@@H]2COC[C@@H]2C1 WXVL_AN00207SB0150 [0,0,0,2,0,0|2,0,0]=4 342 B13R2.430 CC(=O)N1CC[C@@H]2COC[C@@H]2C1 WXVL_AN00207SB0150 [0,0,0,2,0,0|2,0,0]=4 343 B13R2.435 CC(=O)N1CC2CCCCC2C1 WXVL_AN0449SB0150 [0,0,0,2,0,0|1,0,0]=3 344 B13R2.435 CC(=O)N1CC2CCCCC2C1 WXVL_AN0449SB0150 [0,0,0,2,0,0|1,0,0]=3 345 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 WXVL_AN00705SB0150 [0,0,0,2,0,0|1,0,0]=3 346 B13R2.437 CC(=O)N1CCC12CCCCC2 WXVL_AN0679SB0150 [0,0,0,2,0,0|1,0,0]=3 347 B13R2.437 CC(=O)N1CCC12CCCCC2 WXVL_AN0679SB0150 [0,0,0,2,0,0|1,0,0]=3 348 B13R2.5559 CC(=O)N1CCN2CCC1CC2 WXVL_AN3774SB0150 [0,0,0,2,0,0|2,0,0]=4 349 B13R2.13779 CC(=O)N1C2CCCC1COC2 WXVL_AN3631SB0150 [0,0,0,2,0,0|2,0,0]=4 350 B13R2.13779 CC(=O)N1C2CCCC1COC2 WXVL_AN3631SB0150 [0,0,0,2,0,0|2,0,0]=4 351 B13R2.14125 NC(=O)CC12CCCN1CCC2 WXVL_AK0084SB00032 [0,0,0,2,0,0|2,0,0]=4 352 B13R2.14125 NC(=O)CC12CCCN1CCC2 WXVL_AK0084SB00032 [0,0,0,2,0,0|2,0,0]=4