0 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [0,0,0,0,0,0|3,0,1]=4 3 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [0,0,0,0,0,0|3,0,1]=4 4 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [0,0,0,0,0,0|1,0,0]=1 5 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [0,0,0,0,0,0|1,0,0]=1 6 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [0,0,0,0,0,0|1,0,2]=3 7 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [0,0,0,0,0,0|1,0,2]=3 8 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [0,0,0,0,0,0|2,0,1]=3 9 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [0,0,0,0,0,0|2,0,1]=3 10 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [0,0,0,0,0,0|3,0,1]=4 11 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [0,0,0,0,0,0|3,0,1]=4 12 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [0,0,0,0,0,0|3,0,1]=4 13 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [0,0,0,0,0,0|3,0,1]=4 14 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [0,0,0,0,0,0|2,0,2]=4 15 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [1,0,0,0,0,0|1,0,0]=2 19 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [1,0,0,0,0,0|1,0,0]=2 20 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [1,0,0,0,0,0|1,0,2]=4 21 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [1,0,0,0,0,0|1,0,2]=4 22 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [1,0,0,0,0,0|1,0,1]=3 23 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [1,0,0,0,0,0|1,0,1]=3 24 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [1,0,0,0,0,0|2,0,1]=4 26 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [1,0,0,0,0,0|2,0,1]=4 27 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [1,0,0,0,0,0|2,0,1]=4 28 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [1,0,0,0,0,0|3,0,0]=4 29 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [1,0,0,0,0,0|3,0,0]=4 30 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [1,0,0,0,0,0|3,0,0]=4 31 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [1,0,0,0,0,0|3,0,0]=4 32 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [1,0,0,0,0,0|3,0,0]=4 33 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [1,0,0,0,0,0|3,0,0]=4 34 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [1,0,0,0,0,0|2,0,0]=3 35 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [1,0,0,0,0,0|2,0,0]=3 36 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [1,0,0,0,0,0|3,0,0]=4 37 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [1,0,0,0,0,0|3,0,0]=4 38 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [1,0,0,0,0,0|3,0,0]=4 39 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [1,0,0,0,0,0|3,0,0]=4 40 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [1,0,0,0,0,0|2,0,1]=4 41 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [1,0,0,0,0,0|2,0,1]=4 42 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [1,0,0,0,0,0|2,0,1]=4 43 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [1,0,0,0,0,0|2,0,1]=4 44 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,1,0,0,0,0|2,0,1]=4 45 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,1,0,0,0,0|2,0,1]=4 46 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [0,1,0,0,0,0|2,0,1]=4 47 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [0,1,0,0,0,0|2,0,1]=4 48 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,1,0,0,0,0|1,0,0]=2 49 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,1,0,0,0,0|1,0,0]=2 50 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,1,0,0,0,0|1,0,2]=4 51 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,1,0,0,0,0|1,0,2]=4 52 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,1,0,0,0,0|2,0,1]=4 53 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,1,0,0,0,0|2,0,1]=4 54 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,1,0,0,0,0|1,0,1]=3 55 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,1,0,0,0,0|1,0,1]=3 56 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,1,0,0,0,0|1,1,1]=4 57 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,1,0,0,0,0|1,1,1]=4 58 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,1,0,0,0,0|2,0,1]=4 59 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,1,0,0,0,0|2,0,1]=4 60 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,1,0,0,0,0|2,0,1]=4 61 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,1,0,0,0,0|2,0,1]=4 62 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,1,0,0,0,0|2,0,1]=4 63 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,1,0,0,0,0|2,0,1]=4 64 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [0,1,0,0,0,0|1,0,2]=4 65 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [0,1,0,0,0,0|1,0,2]=4 66 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,1,0,0,0,0|2,0,1]=4 67 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,1,0,0,0,0|2,0,1]=4 68 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [0,1,0,0,0,0|1,0,2]=4 69 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [0,1,0,0,0,0|1,0,2]=4 70 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [0,1,0,0,0,0|1,0,2]=4 71 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [0,1,0,0,0,0|1,0,2]=4 72 B11R0.42 CCCCC/C=C/C(=O)N(C)C WXVL_AN0032SB3331 [0,1,0,0,0,0|1,0,0]=2 73 B11R0.42 CCCCC/C=C/C(=O)N(C)C WXVL_AN0032SB3331 [0,1,0,0,0,0|1,0,0]=2 74 B11R0.42 CCCCCCCC(=O)N(C)C WXVL_AN0032SB0393 [0,1,0,0,0,0|1,0,2]=4 75 B11R0.42 CCCCCCCC(=O)N(C)C WXVL_AN0032SB0393 [0,1,0,0,0,0|1,0,2]=4 76 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [0,1,0,0,0,0|2,0,1]=4 77 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [0,1,0,0,0,0|2,0,1]=4 78 B11R0.42 CCCCCCNC(=O)C(C)C WXVL_AK0286SB0052 [0,1,0,0,0,0|2,0,1]=4 79 B11R0.42 CCCCCCNC(=O)C(C)C WXVL_AK0286SB0052 [0,1,0,0,0,0|2,0,1]=4 80 B11R0.42 CCCCCCNC(=O)C(C)S WXVL_AK0286SB2708 [0,1,0,0,0,0|2,0,1]=4 81 B11R0.42 CCCCCCNC(=O)C(C)S WXVL_AK0286SB2708 [0,1,0,0,0,0|2,0,1]=4 82 B11R0.42 CCCCCCNC(=O)[C@@H](C)O WXVL_AK0286SB1085 [0,1,0,0,0,0|2,0,1]=4 83 B11R0.42 CCCCCCNC(=O)[C@@H](C)O WXVL_AK0286SB1085 [0,1,0,0,0,0|2,0,1]=4 84 B11R0.70 CCCCC(C)CCC(=O)NC WXVL_AK00442SB1315 [0,1,0,0,0,0|1,0,2]=4 85 B11R0.70 CCCCC(C)CCC(=O)NC WXVL_AK00442SB1315 [0,1,0,0,0,0|1,0,2]=4 86 B11R0.142 C/C=C(\C)/C(=O)NCCCCC WXVL_AK0076SB0343 [0,1,0,0,0,0|3,0,0]=4 87 B11R0.142 C/C=C(\C)/C(=O)NCCCCC WXVL_AK0076SB0343 [0,1,0,0,0,0|3,0,0]=4 88 B11R0.142 CCC(=O)C(=O)NCCCCO WXVL_AK0075SB0344 [0,1,0,0,0,0|3,0,0]=4 89 B11R0.142 CCC(=O)C(=O)NCCCCO WXVL_AK0075SB0344 [0,1,0,0,0,0|3,0,0]=4 90 B11R0.142 CCC(=O)C(=O)NCCCOC WXVL_AK00637SB0344 [0,1,0,0,0,0|3,0,0]=4 91 B11R0.142 CCC(=O)C(=O)NCCCOC WXVL_AK00637SB0344 [0,1,0,0,0,0|3,0,0]=4 92 B11R0.142 CCC(=O)C(=O)NCCCSC WXVL_AK0965SB0344 [0,1,0,0,0,0|3,0,0]=4 93 B11R0.142 CCC(=O)C(=O)NCCCSC WXVL_AK0965SB0344 [0,1,0,0,0,0|3,0,0]=4 94 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [0,1,0,0,0,0|2,0,0]=3 95 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [0,1,0,0,0,0|2,0,0]=3 96 B11R0.142 CCCCCNC(=O)[C@@H](C)OC WXVL_AK0076SB2926 [0,1,0,0,0,0|2,0,1]=4 97 B11R0.142 CCCCCNC(=O)[C@@H](C)OC WXVL_AK0076SB2926 [0,1,0,0,0,0|2,0,1]=4 98 B11R0.142 CCSCCNC(=O)C(=O)CC WXVL_AK00494SB0344 [0,1,0,0,0,0|3,0,0]=4 99 B11R0.142 CCSCCNC(=O)C(=O)CC WXVL_AK00494SB0344 [0,1,0,0,0,0|3,0,0]=4 100 B11R0.154 CCCCNC(=O)CC(=O)OC WXVL_AK00588SB2790 [0,1,0,0,0,0|1,0,1]=3 101 B11R0.154 CCCCNC(=O)CC(=O)OC WXVL_AK00588SB2790 [0,1,0,0,0,0|1,0,1]=3 102 B11R0.154 COC(=O)CC(=O)NCCCO WXVL_AK0073SB2790 [0,1,0,0,0,0|2,0,1]=4 103 B11R0.154 COC(=O)CC(=O)NCCCO WXVL_AK0073SB2790 [0,1,0,0,0,0|2,0,1]=4 104 B11R0.154 COC(=O)CC(=O)NCCSC WXVL_AK00440SB2790 [0,1,0,0,0,0|2,0,1]=4 105 B11R0.154 COC(=O)CC(=O)NCCSC WXVL_AK00440SB2790 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [0,0,0,1,0,0|2,0,1]=4 107 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [0,0,0,1,0,0|2,0,1]=4 108 B11R1.25 CNC(=O)/C=C/C1CCCC1 WXVL_AK00442SB5314 [0,0,0,1,0,0|1,0,0]=2 109 B11R1.25 CNC(=O)/C=C/C1CCCC1 WXVL_AK00442SB5314 [0,0,0,1,0,0|1,0,0]=2 110 B11R1.25 CNC(=O)CCC1CCCC1 WXVL_AK00442SB0045 [0,0,0,1,0,0|1,0,2]=4 111 B11R1.25 CNC(=O)CCC1CCCC1 WXVL_AK00442SB0045 [0,0,0,1,0,0|1,0,2]=4 112 B11R1.25 CNC(=O)COC1CCCC1 WXVL_AK00442SB0754 [0,0,0,1,0,0|2,0,1]=4 113 B11R1.25 CNC(=O)COC1CCCC1 WXVL_AK00442SB0754 [0,0,0,1,0,0|2,0,1]=4 114 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [0,0,0,1,0,0|2,0,1]=4 115 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [0,0,0,1,0,0|2,0,1]=4 116 B11R1.40 CNC(=O)CN1CCCCC1 WXVL_AK00442SB0186 [0,0,0,1,0,0|2,0,1]=4 117 B11R1.40 CNC(=O)CN1CCCCC1 WXVL_AK00442SB0186 [0,0,0,1,0,0|2,0,1]=4 118 B11R1.222 CCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0064 [0,0,0,1,0,0|2,0,1]=4 119 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [0,0,0,1,0,0|2,0,1]=4 120 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [0,0,0,1,0,0|2,0,1]=4 121 B11R1.852 CNC(=O)C1CCCCCC1 WXVL_AK00442SB0385 [0,0,0,1,0,0|1,0,2]=4 122 B11R1.852 CNC(=O)C1CCCCCC1 WXVL_AK00442SB0385 [0,0,0,1,0,0|1,0,2]=4 123 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [2,0,0,0,0,0|2,0,0]=4 124 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [2,0,0,0,0,0|2,0,0]=4 125 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [2,0,0,0,0,0|1,0,0]=3 126 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [2,0,0,0,0,0|1,0,0]=3 127 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [2,0,0,0,0,0|2,0,0]=4 128 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [2,0,0,0,0,0|2,0,0]=4 129 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [2,0,0,0,0,0|2,0,0]=4 130 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [2,0,0,0,0,0|2,0,0]=4 131 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [2,0,0,0,0,0|2,0,0]=4 132 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [2,0,0,0,0,0|2,0,0]=4 133 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [2,0,0,0,0,0|2,0,0]=4 134 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [2,0,0,0,0,0|2,0,0]=4 135 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [2,0,0,0,0,0|2,0,0]=4 136 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [2,0,0,0,0,0|2,0,0]=4 137 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [2,0,0,0,0,0|2,0,0]=4 138 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [2,0,0,0,0,0|2,0,0]=4 139 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [2,0,0,0,0,0|2,0,0]=4 140 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [2,0,0,0,0,0|2,0,0]=4 141 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [1,1,0,0,0,0|1,0,1]=4 142 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [1,1,0,0,0,0|1,0,1]=4 143 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [1,1,0,0,0,0|1,0,1]=4 144 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [1,1,0,0,0,0|1,0,1]=4 145 B10R0.6 CCCCNC(=O)C=C(C)C WXVL_AK00588SB0342 [1,1,0,0,0,0|2,0,0]=4 146 B10R0.6 CCCCNC(=O)C=C(C)C WXVL_AK00588SB0342 [1,1,0,0,0,0|2,0,0]=4 147 B10R0.75 CC(=O)C(=O)NCCCCO WXVL_AK0075SB0051 [1,1,0,0,0,0|2,0,0]=4 148 B10R0.75 CC(=O)C(=O)NCCCCO WXVL_AK0075SB0051 [1,1,0,0,0,0|2,0,0]=4 149 B10R0.75 CCCCCNC(=O)C(=O)C WXVL_AK0076SB0051 [1,1,0,0,0,0|1,0,0]=3 150 B10R0.75 CCCCCNC(=O)C(=O)C WXVL_AK0076SB0051 [1,1,0,0,0,0|1,0,0]=3 151 B10R0.75 CCCCCNC(=O)C(=O)N WXVL_AK0076SB0128 [1,1,0,0,0,0|2,0,0]=4 152 B10R0.75 CCCCCNC(=O)C(=O)N WXVL_AK0076SB0128 [1,1,0,0,0,0|2,0,0]=4 153 B10R0.75 CCSCCNC(=O)C(=O)C WXVL_AK00494SB0051 [1,1,0,0,0,0|2,0,0]=4 154 B10R0.75 CCSCCNC(=O)C(=O)C WXVL_AK00494SB0051 [1,1,0,0,0,0|2,0,0]=4 155 B10R0.75 COCCCNC(=O)C(=O)C WXVL_AK00637SB0051 [1,1,0,0,0,0|2,0,0]=4 156 B10R0.75 COCCCNC(=O)C(=O)C WXVL_AK00637SB0051 [1,1,0,0,0,0|2,0,0]=4 157 B10R0.75 CSCCCNC(=O)C(=O)C WXVL_AK0965SB0051 [1,1,0,0,0,0|2,0,0]=4 158 B10R0.75 CSCCCNC(=O)C(=O)C WXVL_AK0965SB0051 [1,1,0,0,0,0|2,0,0]=4 159 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [1,1,0,0,0,0|2,0,0]=4 160 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [1,1,0,0,0,0|2,0,0]=4 161 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [1,1,0,0,0,0|1,0,1]=4 162 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [1,1,0,0,0,0|1,0,1]=4 163 B10R0.18 CCCNC(=O)CC(=O)OC WXVL_AK00504SB2790 [1,1,0,0,0,0|1,0,1]=4 164 B10R0.18 CCCNC(=O)CC(=O)OC WXVL_AK00504SB2790 [1,1,0,0,0,0|1,0,1]=4 165 B10R0.83 CCCCCC(C)C(=O)NC WXVL_AK00442SB0394 [1,1,0,0,0,0|1,0,1]=4 166 B10R0.83 CCCCCC(C)C(=O)NC WXVL_AK00442SB0394 [1,1,0,0,0,0|1,0,1]=4 167 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [1,1,0,0,0,0|2,0,0]=4 168 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [1,1,0,0,0,0|2,0,0]=4 169 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,2,0,0,0,0|1,0,1]=4 170 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,2,0,0,0,0|1,0,1]=4 171 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,2,0,0,0,0|1,0,1]=4 172 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,2,0,0,0,0|1,0,1]=4 173 B12R0.4 CCCCC/C=C/C(=O)NC(C)C WXVL_AK0030SB3331 [0,2,0,0,0,0|1,0,0]=3 174 B12R0.4 CCCCC/C=C/C(=O)NC(C)C WXVL_AK0030SB3331 [0,2,0,0,0,0|1,0,0]=3 175 B12R0.49 CCC(=O)C(=O)NCCCCCO WXVL_AK0077SB0344 [0,2,0,0,0,0|2,0,0]=4 176 B12R0.49 CCC(=O)C(=O)NCCCCCO WXVL_AK0077SB0344 [0,2,0,0,0,0|2,0,0]=4 177 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,2,0,0,0,0|1,0,1]=4 178 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,2,0,0,0,0|1,0,1]=4 179 B12R0.49 CCCCCCNC(=O)[C@@H](C)OC WXVL_AK0286SB2926 [0,2,0,0,0,0|1,0,1]=4 180 B12R0.49 CCCCCCNC(=O)[C@@H](C)OC WXVL_AK0286SB2926 [0,2,0,0,0,0|1,0,1]=4 181 B12R0.49 CCOCCCNC(=O)C(=O)CC WXVL_AK0072SB0344 [0,2,0,0,0,0|2,0,0]=4 182 B12R0.49 CCOCCCNC(=O)C(=O)CC WXVL_AK0072SB0344 [0,2,0,0,0,0|2,0,0]=4 183 B12R0.101 CCCNC(=O)/C=C/C(=O)OCC WXVL_AK00504SB0061 [0,2,0,0,0,0|1,0,1]=4 184 B12R0.101 CCCNC(=O)/C=C/C(=O)OCC WXVL_AK00504SB0061 [0,2,0,0,0,0|1,0,1]=4 185 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [0,2,0,0,0,0|1,0,0]=3 186 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [0,2,0,0,0,0|1,0,0]=3 187 B12R0.114 CCOC(=O)C(=O)NCCCCO WXVL_AK0075SB4144 [0,2,0,0,0,0|2,0,0]=4 188 B12R0.114 CCOC(=O)C(=O)NCCCCO WXVL_AK0075SB4144 [0,2,0,0,0,0|2,0,0]=4 189 B12R0.114 CCOC(=O)C(=O)NCCCOC WXVL_AK00637SB4144 [0,2,0,0,0,0|2,0,0]=4 190 B12R0.114 CCOC(=O)C(=O)NCCCOC WXVL_AK00637SB4144 [0,2,0,0,0,0|2,0,0]=4 191 B12R0.114 CCOC(=O)C(=O)NCCCSC WXVL_AK0965SB4144 [0,2,0,0,0,0|2,0,0]=4 192 B12R0.114 CCOC(=O)C(=O)NCCCSC WXVL_AK0965SB4144 [0,2,0,0,0,0|2,0,0]=4 193 B12R0.114 CCOC(=O)C(=O)NCCSCC WXVL_AK00494SB4144 [0,2,0,0,0,0|2,0,0]=4 194 B12R0.114 CCOC(=O)C(=O)NCCSCC WXVL_AK00494SB4144 [0,2,0,0,0,0|2,0,0]=4 195 B12R0.206 C=CCNC(=O)/C=C/CCCCC WXVL_AK00561SB3331 [0,2,0,0,0,0|1,0,0]=3 196 B12R0.206 C=CCNC(=O)/C=C/CCCCC WXVL_AK00561SB3331 [0,2,0,0,0,0|1,0,0]=3 197 B12R0.206 CCCCC/C=C/C(=O)NCC#N WXVL_AK0683SB3331 [0,2,0,0,0,0|1,0,0]=3 198 B12R0.206 CCCCC/C=C/C(=O)NCC#N WXVL_AK0683SB3331 [0,2,0,0,0,0|1,0,0]=3 199 B12R0.206 CCCCC/C=C/C(=O)NCCC WXVL_AK00504SB3331 [0,2,0,0,0,0|1,0,0]=3 200 B12R0.206 CCCCC/C=C/C(=O)NCCC WXVL_AK00504SB3331 [0,2,0,0,0,0|1,0,0]=3 201 B12R0.206 CCCCC/C=C/C(=O)NCCF WXVL_AK00466SB3331 [0,2,0,0,0,0|1,0,0]=3 202 B12R0.206 CCCCC/C=C/C(=O)NCCF WXVL_AK00466SB3331 [0,2,0,0,0,0|1,0,0]=3 203 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,2,0,0,0,0|1,0,1]=4 204 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,2,0,0,0,0|1,0,1]=4 205 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,2,0,0,0,0|1,0,1]=4 206 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,2,0,0,0,0|1,0,1]=4 207 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,2,0,0,0,0|1,0,1]=4 208 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,2,0,0,0,0|1,0,1]=4 209 B12R0.113 CCCCCNC(=O)CC(=O)OC WXVL_AK0076SB2790 [0,2,0,0,0,0|0,0,1]=3 210 B12R0.113 CCCCCNC(=O)CC(=O)OC WXVL_AK0076SB2790 [0,2,0,0,0,0|0,0,1]=3 211 B12R0.113 CCSCCNC(=O)CC(=O)OC WXVL_AK00494SB2790 [0,2,0,0,0,0|1,0,1]=4 212 B12R0.113 CCSCCNC(=O)CC(=O)OC WXVL_AK00494SB2790 [0,2,0,0,0,0|1,0,1]=4 213 B12R0.113 COC(=O)CC(=O)NCCCCO WXVL_AK0075SB2790 [0,2,0,0,0,0|1,0,1]=4 214 B12R0.113 COC(=O)CC(=O)NCCCCO WXVL_AK0075SB2790 [0,2,0,0,0,0|1,0,1]=4 215 B12R0.113 COC(=O)CC(=O)NCCCSC WXVL_AK0965SB2790 [0,2,0,0,0,0|1,0,1]=4 216 B12R0.113 COC(=O)CC(=O)NCCCSC WXVL_AK0965SB2790 [0,2,0,0,0,0|1,0,1]=4 217 B12R0.113 COCCCNC(=O)CC(=O)OC WXVL_AK00637SB2790 [0,2,0,0,0,0|1,0,1]=4 218 B12R0.113 COCCCNC(=O)CC(=O)OC WXVL_AK00637SB2790 [0,2,0,0,0,0|1,0,1]=4 219 B12R0.142 CCCCNC(=O)CCC(=O)OC WXVL_AK00588SB0069 [0,2,0,0,0,0|1,0,1]=4 220 B12R0.142 CCCCNC(=O)CCC(=O)OC WXVL_AK00588SB0069 [0,2,0,0,0,0|1,0,1]=4 221 B12R0.46 CCCCCNC(=O)C(=O)C(C)C WXVL_AK0076SB2578 [0,2,0,0,0,0|2,0,0]=4 222 B12R0.46 CCCCCNC(=O)C(=O)C(C)C WXVL_AK0076SB2578 [0,2,0,0,0,0|2,0,0]=4 223 B12R0.240 COC(=O)CC(=O)NCCC(C)C WXVL_AK0068SB2790 [0,2,0,0,0,0|1,0,1]=4 224 B12R0.240 COC(=O)CC(=O)NCCC(C)C WXVL_AK0068SB2790 [0,2,0,0,0,0|1,0,1]=4 225 B12R0.110 CCCCNC(=O)C(C)C(=O)OC WXVL_AK00588SB5708 [0,2,0,0,0,0|1,0,1]=4 226 B12R0.110 CCCCNC(=O)C(C)C(=O)OC WXVL_AK00588SB5708 [0,2,0,0,0,0|1,0,1]=4 227 B12R0.68 CCC[C@H](C)NC(=O)CC(=O)OC WXVL_AK00682SB2790 [0,2,0,0,0,0|1,0,1]=4 228 B12R0.68 CCC[C@H](C)NC(=O)CC(=O)OC WXVL_AK00682SB2790 [0,2,0,0,0,0|1,0,1]=4 229 B10R1.18 CC(=O)NC1CCCCC1 WXVL_AK00480SB0150 [1,0,0,1,0,0|1,0,1]=4 230 B10R1.18 CC(=O)NC1CCCCC1 WXVL_AK00480SB0150 [1,0,0,1,0,0|1,0,1]=4 231 B10R1.61 CC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0150 [1,0,0,1,0,0|1,0,1]=4 232 B10R1.66 CC(=O)NCC1CCCC1 WXVL_AK0303SB0150 [1,0,0,1,0,0|1,0,1]=4 233 B10R1.66 CC(=O)NCC1CCCC1 WXVL_AK0303SB0150 [1,0,0,1,0,0|1,0,1]=4 234 B10R1.66 NC(=O)/C=C/C1CCCC1 WXVL_AK0084SB5314 [1,0,0,1,0,0|1,0,0]=3 235 B10R1.66 NC(=O)/C=C/C1CCCC1 WXVL_AK0084SB5314 [1,0,0,1,0,0|1,0,0]=3 236 B10R1.127 CC(=O)NCCC1CCC1 WXVL_AK2418SB0150 [1,0,0,1,0,0|1,0,1]=4 237 B10R1.127 CC(=O)NCCC1CCC1 WXVL_AK2418SB0150 [1,0,0,1,0,0|1,0,1]=4 238 B10R1.15 CNC(=O)C1=CCCCO1 WXVL_AK00442SB4858 [1,0,0,1,0,0|2,0,0]=4 239 B10R1.15 CNC(=O)C1=CCCCO1 WXVL_AK00442SB4858 [1,0,0,1,0,0|2,0,0]=4 240 B10R1.15 CNC(=O)C1=COCCC1 WXVL_AK00442SB2928 [1,0,0,1,0,0|2,0,0]=4 241 B10R1.15 CNC(=O)C1=COCCC1 WXVL_AK00442SB2928 [1,0,0,1,0,0|2,0,0]=4 242 B10R1.15 CNC(=O)C1CCCCC1 WXVL_AK00442SB0047 [1,0,0,1,0,0|1,0,1]=4 243 B10R1.15 CNC(=O)C1CCCCC1 WXVL_AK00442SB0047 [1,0,0,1,0,0|1,0,1]=4 244 B10R1.27 CNC(=O)CC1CCCC1 WXVL_AK00442SB0044 [1,0,0,1,0,0|1,0,1]=4 245 B10R1.27 CNC(=O)CC1CCCC1 WXVL_AK00442SB0044 [1,0,0,1,0,0|1,0,1]=4 246 B10R1.149 CCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0064 [1,0,0,1,0,0|2,0,0]=4 247 B10R1.149 CNC(=O)C1CCCC1C WXVL_AK00442SB0904 [1,0,0,1,0,0|1,0,1]=4 248 B10R1.149 CNC(=O)C1CCCC1C WXVL_AK00442SB0904 [1,0,0,1,0,0|1,0,1]=4 249 B10R1.151 CCC(=O)NCC1CCC1 WXVL_AK00492SB0064 [1,0,0,1,0,0|2,0,0]=4 250 B10R1.151 CCC(=O)NCC1CCC1 WXVL_AK00492SB0064 [1,0,0,1,0,0|2,0,0]=4 251 B10R1.151 CNC(=O)CCC1CCC1 WXVL_AK00442SB8784 [1,0,0,1,0,0|1,0,1]=4 252 B10R1.151 CNC(=O)CCC1CCC1 WXVL_AK00442SB8784 [1,0,0,1,0,0|1,0,1]=4 253 B10R1.153 CCC(=O)NCCC1CC1 WXVL_AK00594SB0064 [1,0,0,1,0,0|2,0,0]=4 254 B10R1.153 CCC(=O)NCCC1CC1 WXVL_AK00594SB0064 [1,0,0,1,0,0|2,0,0]=4 255 B12R1.32 COCC(=O)NC1CCCCC1 WXVL_AK00480SB0090 [0,1,0,1,0,0|1,0,1]=4 256 B12R1.32 COCC(=O)NC1CCCCC1 WXVL_AK00480SB0090 [0,1,0,1,0,0|1,0,1]=4 257 B12R1.51 CCNC(=O)/C=C/C1CCCC1 WXVL_AK00476SB5314 [0,1,0,1,0,0|1,0,0]=3 258 B12R1.51 CCNC(=O)/C=C/C1CCCC1 WXVL_AK00476SB5314 [0,1,0,1,0,0|1,0,0]=3 259 B12R1.51 COCC(=O)NCC1CCCC1 WXVL_AK0303SB0090 [0,1,0,1,0,0|1,0,1]=4 260 B12R1.51 COCC(=O)NCC1CCCC1 WXVL_AK0303SB0090 [0,1,0,1,0,0|1,0,1]=4 261 B12R1.308 COCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0090 [0,1,0,1,0,0|1,0,1]=4 262 B12R1.315 COCC(=O)NCCC1CCC1 WXVL_AK2418SB0090 [0,1,0,1,0,0|1,0,1]=4 263 B12R1.315 COCC(=O)NCCC1CCC1 WXVL_AK2418SB0090 [0,1,0,1,0,0|1,0,1]=4 264 B12R1.27 CNC(=O)/C=C/C1CCCCC1 WXVL_AK00442SB5384 [0,1,0,1,0,0|1,0,0]=3 265 B12R1.27 CNC(=O)/C=C/C1CCCCC1 WXVL_AK00442SB5384 [0,1,0,1,0,0|1,0,0]=3 266 B12R1.264 CN(C)C(=O)/C=C/C1CCCC1 WXVL_AN0032SB5314 [0,1,0,1,0,0|1,0,0]=3 267 B12R1.264 CN(C)C(=O)/C=C/C1CCCC1 WXVL_AN0032SB5314 [0,1,0,1,0,0|1,0,0]=3 268 B12R1.468 CCC(=O)C(=O)N1CCC[C@H]1C WXVL_AN00593SB0344 [0,1,0,1,0,0|2,0,0]=4 269 B12R1.470 CCC(=O)C(=O)NCC1CCC1 WXVL_AK00492SB0344 [0,1,0,1,0,0|2,0,0]=4 270 B12R1.470 CCC(=O)C(=O)NCC1CCC1 WXVL_AK00492SB0344 [0,1,0,1,0,0|2,0,0]=4 271 B12R1.471 CCC(=O)C(=O)NCCC1CC1 WXVL_AK00594SB0344 [0,1,0,1,0,0|2,0,0]=4 272 B12R1.471 CCC(=O)C(=O)NCCC1CC1 WXVL_AK00594SB0344 [0,1,0,1,0,0|2,0,0]=4 273 B12R1.15 COC(=O)CC(=O)N1CCCC1 WXVL_AN0008SB2790 [0,1,0,1,0,0|1,0,1]=4 274 B12R1.15 COC(=O)CC(=O)N1CCCC1 WXVL_AN0008SB2790 [0,1,0,1,0,0|1,0,1]=4