0 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [0,1,0,0,0,0|2,0,1]=4 1 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [0,1,0,0,0,0|2,0,1]=4 2 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,1,0,0,0,0|2,0,1]=4 3 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,1,0,0,0,0|2,0,1]=4 4 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,1,0,0,0,0|3,0,0]=4 5 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,1,0,0,0,0|3,0,0]=4 6 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,1,0,0,0,0|3,0,0]=4 7 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,1,0,0,0,0|3,0,0]=4 8 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [0,1,0,0,0,0|2,0,1]=4 9 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [0,1,0,0,0,0|2,0,1]=4 10 B10R0.74 C#CCCCCNC(=O)CO WXVL_AK00614SB2706 [0,1,0,0,0,0|1,0,2]=4 11 B10R0.74 C#CCCCCNC(=O)CO WXVL_AK00614SB2706 [0,1,0,0,0,0|1,0,2]=4 12 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [0,1,0,0,0,0|3,0,0]=4 13 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [0,1,0,0,0,0|3,0,0]=4 14 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [0,1,0,0,0,0|2,0,1]=4 15 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [0,1,0,0,0,0|2,0,1]=4 16 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [0,1,0,0,0,0|2,0,1]=4 17 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [0,1,0,0,0,0|2,0,1]=4 18 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [0,1,0,0,0,0|2,0,0]=3 19 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [0,1,0,0,0,0|2,0,0]=3 20 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [0,1,0,0,0,0|1,0,0]=2 21 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [0,1,0,0,0,0|1,0,0]=2 22 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [0,1,0,0,0,0|3,0,0]=4 23 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [0,1,0,0,0,0|3,0,0]=4 24 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [0,1,0,0,0,0|2,0,0]=3 25 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [0,1,0,0,0,0|2,0,0]=3 26 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [0,1,0,0,0,0|2,0,0]=3 27 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [0,1,0,0,0,0|2,0,0]=3 28 B10R0.74 O=C(CO)NCCNCCO WXVL_AK0954SB2706 [0,1,0,0,0,0|3,0,0]=4 29 B10R0.74 O=C(CO)NCCNCCO WXVL_AK0954SB2706 [0,1,0,0,0,0|3,0,0]=4 30 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [0,1,0,0,0,0|2,0,1]=4 31 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [0,1,0,0,0,0|2,0,1]=4 32 B10R0.91 CCCCNC(=O)/C=C/CBr WXVL_AK00588SB0424 [0,1,0,0,0,0|2,0,1]=4 33 B10R0.91 CCCCNC(=O)/C=C/CBr WXVL_AK00588SB0424 [0,1,0,0,0,0|2,0,1]=4 34 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [1,1,0,0,0,0|2,0,0]=4 35 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [1,1,0,0,0,0|2,0,0]=4 36 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [1,1,0,0,0,0|0,0,2]=4 37 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [1,1,0,0,0,0|0,0,2]=4 38 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [1,1,0,0,0,0|0,0,2]=4 39 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [1,1,0,0,0,0|0,0,2]=4 40 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [1,1,0,0,0,0|1,0,0]=3 41 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [1,1,0,0,0,0|1,0,0]=3 42 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [1,1,0,0,0,0|2,0,0]=4 43 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [1,1,0,0,0,0|2,0,0]=4 44 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [1,1,0,0,0,0|1,0,1]=4 45 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [1,1,0,0,0,0|1,0,1]=4 46 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [1,1,0,0,0,0|1,0,1]=4 47 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [1,1,0,0,0,0|1,0,1]=4 48 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [1,1,0,0,0,0|1,0,0]=3 49 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [1,1,0,0,0,0|1,0,0]=3 50 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [1,1,0,0,0,0|2,0,0]=4 54 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [1,1,0,0,0,0|2,0,0]=4 57 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [1,1,0,0,0,0|2,0,0]=4 59 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [1,1,0,0,0,0|2,0,0]=4 62 B11R0.2 CCCCCNC(=O)CC(C)O WXVL_AK0076SB3643 [0,2,0,0,0,0|1,0,1]=4 63 B11R0.2 CCCCCNC(=O)CC(C)O WXVL_AK0076SB3643 [0,2,0,0,0,0|1,0,1]=4 64 B11R0.4 C#CCC(=O)NCCCCCC WXVL_AK0286SB3070 [0,2,0,0,0,0|2,0,0]=4 65 B11R0.4 C#CCC(=O)NCCCCCC WXVL_AK0286SB3070 [0,2,0,0,0,0|2,0,0]=4 66 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,2,0,0,0,0|1,0,1]=4 67 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,2,0,0,0,0|1,0,1]=4 68 B11R0.4 C=CCC(=O)NCCCCCC WXVL_AK0286SB2732 [0,2,0,0,0,0|2,0,0]=4 69 B11R0.4 C=CCC(=O)NCCCCCC WXVL_AK0286SB2732 [0,2,0,0,0,0|2,0,0]=4 70 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,2,0,0,0,0|1,0,1]=4 71 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,2,0,0,0,0|1,0,1]=4 72 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,2,0,0,0,0|1,0,1]=4 73 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,2,0,0,0,0|1,0,1]=4 74 B11R0.4 CCCCCCNC(=O)CC#N WXVL_AK0286SB0057 [0,2,0,0,0,0|2,0,0]=4 75 B11R0.4 CCCCCCNC(=O)CC#N WXVL_AK0286SB0057 [0,2,0,0,0,0|2,0,0]=4 76 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,2,0,0,0,0|1,0,1]=4 77 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,2,0,0,0,0|1,0,1]=4 78 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,2,0,0,0,0|1,0,0]=3 79 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,2,0,0,0,0|1,0,0]=3 80 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,2,0,0,0,0|1,1,0]=4 81 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,2,0,0,0,0|1,1,0]=4 82 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,2,0,0,0,0|2,0,0]=4 83 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,2,0,0,0,0|2,0,0]=4 84 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,2,0,0,0,0|2,0,0]=4 85 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,2,0,0,0,0|2,0,0]=4 86 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,2,0,0,0,0|2,0,0]=4 87 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,2,0,0,0,0|2,0,0]=4 88 B11R0.81 CCCCCNC(=O)/C=C/CBr WXVL_AK0076SB0424 [0,2,0,0,0,0|1,0,1]=4 89 B11R0.81 CCCCCNC(=O)/C=C/CBr WXVL_AK0076SB0424 [0,2,0,0,0,0|1,0,1]=4 90 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [0,2,0,0,0,0|1,0,1]=4 91 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [0,2,0,0,0,0|1,0,1]=4 92 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [0,2,0,0,0,0|2,0,0]=4 93 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [0,2,0,0,0,0|2,0,0]=4 94 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [0,2,0,0,0,0|2,0,0]=4 95 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [0,2,0,0,0,0|2,0,0]=4 96 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,2,0,0,0,0|2,0,0]=4 97 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,2,0,0,0,0|2,0,0]=4 98 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,2,0,0,0,0|2,0,0]=4 99 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,2,0,0,0,0|2,0,0]=4 100 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [0,2,0,0,0,0|1,0,0]=3 101 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [0,2,0,0,0,0|1,0,0]=3 102 B11R0.40 COCCOCCNC(=O)CO WXVL_AK2206SB2706 [0,2,0,0,0,0|2,0,0]=4 103 B11R0.40 COCCOCCNC(=O)CO WXVL_AK2206SB2706 [0,2,0,0,0,0|2,0,0]=4 104 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [0,2,0,0,0,0|1,0,0]=3 105 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [0,2,0,0,0,0|1,0,0]=3 106 B11R0.42 CCCCCCNC(=O)C(C)C WXVL_AK0286SB0052 [0,2,0,0,0,0|2,0,0]=4 107 B11R0.42 CCCCCCNC(=O)C(C)C WXVL_AK0286SB0052 [0,2,0,0,0,0|2,0,0]=4 108 B11R0.42 CCCCCCNC(=O)C(C)S WXVL_AK0286SB2708 [0,2,0,0,0,0|1,1,0]=4 109 B11R0.42 CCCCCCNC(=O)C(C)S WXVL_AK0286SB2708 [0,2,0,0,0,0|1,1,0]=4 110 B11R0.42 CCCCCCNC(=O)C(F)F WXVL_AK0286SB0079 [0,2,0,0,0,0|2,0,0]=4 111 B11R0.42 CCCCCCNC(=O)C(F)F WXVL_AK0286SB0079 [0,2,0,0,0,0|2,0,0]=4 112 B11R0.42 CCCCCCNC(=O)[C@@H](C)O WXVL_AK0286SB1085 [0,2,0,0,0,0|1,0,0]=3 113 B11R0.42 CCCCCCNC(=O)[C@@H](C)O WXVL_AK0286SB1085 [0,2,0,0,0,0|1,0,0]=3 114 B11R0.42 CCOCCCNC(=O)[C@@H](C)O WXVL_AK0072SB1085 [0,2,0,0,0,0|2,0,0]=4 115 B11R0.42 CCOCCCNC(=O)[C@@H](C)O WXVL_AK0072SB1085 [0,2,0,0,0,0|2,0,0]=4 116 B11R0.42 C[C@@H](O)C(=O)NCCCCCO WXVL_AK0077SB1085 [0,2,0,0,0,0|2,0,0]=4 117 B11R0.42 C[C@@H](O)C(=O)NCCCCCO WXVL_AK0077SB1085 [0,2,0,0,0,0|2,0,0]=4 118 B11R0.111 CN(C)CCCCNC(=O)CO WXVL_AK0097SB2706 [0,2,0,0,0,0|2,0,0]=4 119 B11R0.111 CN(C)CCCCNC(=O)CO WXVL_AK0097SB2706 [0,2,0,0,0,0|2,0,0]=4 120 B11R0.140 CC/C=C/CC(=O)NCCCC WXVL_AK00588SB0349 [0,2,0,0,0,0|1,0,1]=4 121 B11R0.140 CC/C=C/CC(=O)NCCCC WXVL_AK00588SB0349 [0,2,0,0,0,0|1,0,1]=4 122 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [0,1,0,1,0,0|2,0,0]=4 123 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [0,1,0,1,0,0|2,0,0]=4 124 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [0,1,0,1,0,0|2,0,0]=4 125 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [0,1,0,1,0,0|2,0,0]=4 126 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [0,1,0,1,0,0|2,0,0]=4 127 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [0,1,0,1,0,0|2,0,0]=4 128 B11R1.289 CCNC(=O)CCC1CCC1 WXVL_AK00476SB8784 [0,1,0,1,0,0|2,0,0]=4 129 B11R1.289 CCNC(=O)CCC1CCC1 WXVL_AK00476SB8784 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.91 NC(=O)/C=C/C1CCCCC1 WXVL_AK0084SB5384 [0,1,0,1,0,0|0,0,2]=4 131 B11R1.91 NC(=O)/C=C/C1CCCCC1 WXVL_AK0084SB5384 [0,1,0,1,0,0|0,0,2]=4 132 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [0,1,0,1,0,0|2,0,0]=4 133 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.25 O=C(CO)NCC1CCCC1 WXVL_AK0303SB2706 [0,1,0,1,0,0|1,0,0]=3 135 B11R1.25 O=C(CO)NCC1CCCC1 WXVL_AK0303SB2706 [0,1,0,1,0,0|1,0,0]=3 136 B11R1.25 O=C(CO)NCC1CCOC1 WXVL_AK00634SB2706 [0,1,0,1,0,0|2,0,0]=4 137 B11R1.25 O=C(CO)NCC1CCOC1 WXVL_AK00634SB2706 [0,1,0,1,0,0|2,0,0]=4 138 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 WXVL_AK00754SB2706 [0,1,0,1,0,0|2,0,0]=4 139 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 WXVL_AK00754SB2706 [0,1,0,1,0,0|2,0,0]=4 140 B11R1.25 O=C(CO)NC[C@H]1CCOC1 WXVL_AK2110SB2706 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.25 O=C(CO)NC[C@H]1CCOC1 WXVL_AK2110SB2706 [0,1,0,1,0,0|2,0,0]=4 142 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.40 O=C(CO)NC1CCCCC1 WXVL_AK00480SB2706 [0,1,0,1,0,0|1,0,0]=3 145 B11R1.40 O=C(CO)NC1CCCCC1 WXVL_AK00480SB2706 [0,1,0,1,0,0|1,0,0]=3 146 B11R1.40 O=C(CO)NC1CCCOC1 WXVL_AK1073SB2706 [0,1,0,1,0,0|2,0,0]=4 147 B11R1.40 O=C(CO)NC1CCCOC1 WXVL_AK1073SB2706 [0,1,0,1,0,0|2,0,0]=4 148 B11R1.59 O=C(CO)N1CCC[C@H]1CO WXVL_AN0917SB2706 [0,1,0,1,0,0|2,0,0]=4 149 B11R1.222 CCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0064 [0,1,0,1,0,0|2,0,0]=4 150 B11R1.222 C[C@@H]1COCCN1C(=O)CO WXVL_AN00562SB2706 [0,1,0,1,0,0|2,0,0]=4 151 B11R1.222 C[C@H]1CCCCN1C(=O)CO WXVL_AN00851SB2706 [0,1,0,1,0,0|1,0,0]=3 152 B11R1.222 C[C@H]1COCCN1C(=O)CO WXVL_AN00472SB2706 [0,1,0,1,0,0|2,0,0]=4 153 B11R1.222 C[C@H]1COCCN1C(=O)CO WXVL_AN00472SB2706 [0,1,0,1,0,0|2,0,0]=4 154 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [0,1,0,1,0,0|2,0,0]=4 155 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [0,1,0,1,0,0|2,0,0]=4 156 B11R1.236 O=C(CO)NCCC1CCC1 WXVL_AK2418SB2706 [0,1,0,1,0,0|1,0,0]=3 157 B11R1.236 O=C(CO)NCCC1CCC1 WXVL_AK2418SB2706 [0,1,0,1,0,0|1,0,0]=3 158 B11R1.852 O=C(CO)N1CCCOCC1 WXVL_AN00350SB2706 [0,1,0,1,0,0|2,0,0]=4 159 B11R1.852 O=C(CO)N1CCCOCC1 WXVL_AN00350SB2706 [0,1,0,1,0,0|2,0,0]=4