0 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [0,1,0,0,0,0|0,0,2]=3 1 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [0,1,0,0,0,0|0,0,2]=3 2 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,1,0,0,0,0|2,0,1]=4 3 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,1,0,0,0,0|2,0,1]=4 4 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,1,0,0,0,0|2,0,1]=4 5 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,1,0,0,0,0|2,0,1]=4 6 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,1,0,0,0,0|2,0,1]=4 7 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,1,0,0,0,0|3,0,0]=4 9 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,1,0,0,0,0|3,0,0]=4 10 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,1,0,0,0,0|3,0,0]=4 11 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,1,0,0,0,0|3,0,0]=4 12 B9R0.18 CCCNC(=O)/C=C/CBr WXVL_AK00504SB0424 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.18 CCCNC(=O)/C=C/CBr WXVL_AK00504SB0424 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.46 C#CCCCNC(=O)CO WXVL_AK00218SB2706 [0,1,0,0,0,0|1,0,2]=4 17 B9R0.46 C#CCCCNC(=O)CO WXVL_AK00218SB2706 [0,1,0,0,0,0|1,0,2]=4 18 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,1,0,0,0,0|3,0,0]=4 19 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,1,0,0,0,0|3,0,0]=4 20 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,1,0,0,0,0|3,0,0]=4 21 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [0,1,0,0,0,0|3,0,0]=4 23 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [0,1,0,0,0,0|3,0,0]=4 24 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,1,0,0,0,0|2,0,0]=3 25 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,1,0,0,0,0|2,0,0]=3 26 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,1,0,0,0,0|1,0,0]=2 27 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,1,0,0,0,0|1,0,0]=2 28 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [0,1,0,0,0,0|3,0,0]=4 29 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [0,1,0,0,0,0|3,0,0]=4 30 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,1,0,0,0,0|2,0,0]=3 31 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,1,0,0,0,0|2,0,0]=3 32 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,1,0,0,0,0|2,0,0]=3 33 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,1,0,0,0,0|2,0,0]=3 34 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,1,0,0,0,0|2,0,0]=3 35 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,1,0,0,0,0|2,0,0]=3 36 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,1,0,0,0,0|2,0,0]=3 37 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [1,1,0,0,0,0|1,0,1]=4 40 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [1,1,0,0,0,0|1,0,0]=3 43 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [1,1,0,0,0,0|1,0,0]=3 44 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [1,1,0,0,0,0|2,0,0]=4 46 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [1,1,0,0,0,0|2,0,0]=4 47 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [1,1,0,0,0,0|2,0,0]=4 48 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [1,1,0,0,0,0|2,0,0]=4 52 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [1,1,0,0,0,0|2,0,0]=4 53 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [1,1,0,0,0,0|2,0,0]=4 54 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [1,1,0,0,0,0|1,0,0]=3 55 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [1,1,0,0,0,0|1,0,0]=3 56 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [1,1,0,0,0,0|2,0,0]=4 57 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [1,1,0,0,0,0|2,0,0]=4 58 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [1,1,0,0,0,0|2,0,0]=4 59 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [1,1,0,0,0,0|2,0,0]=4 60 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [1,1,0,0,0,0|2,0,0]=4 61 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [1,1,0,0,0,0|2,0,0]=4 62 B10R0.3 CCNC(=O)CCCC(C)C WXVL_AK00476SB1301 [0,2,0,0,0,0|2,0,0]=4 63 B10R0.3 CCNC(=O)CCCC(C)C WXVL_AK00476SB1301 [0,2,0,0,0,0|2,0,0]=4 64 B10R0.6 CCCCNC(=O)CC(C)O WXVL_AK00588SB3643 [0,2,0,0,0,0|1,0,1]=4 65 B10R0.6 CCCCNC(=O)CC(C)O WXVL_AK00588SB3643 [0,2,0,0,0,0|1,0,1]=4 66 B10R0.55 CC(C)OCCNC(=O)CO WXVL_AK0128SB2706 [0,2,0,0,0,0|2,0,0]=4 67 B10R0.55 CC(C)OCCNC(=O)CO WXVL_AK0128SB2706 [0,2,0,0,0,0|2,0,0]=4 68 B10R0.74 C#CCCCCNC(=O)CO WXVL_AK00614SB2706 [0,2,0,0,0,0|1,0,1]=4 69 B10R0.74 C#CCCCCNC(=O)CO WXVL_AK00614SB2706 [0,2,0,0,0,0|1,0,1]=4 70 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [0,2,0,0,0,0|2,0,0]=4 71 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [0,2,0,0,0,0|2,0,0]=4 72 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [0,2,0,0,0,0|0,0,2]=4 73 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [0,2,0,0,0,0|0,0,2]=4 74 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [0,2,0,0,0,0|1,0,1]=4 75 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [0,2,0,0,0,0|1,0,1]=4 76 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [0,2,0,0,0,0|0,0,1]=3 77 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [0,2,0,0,0,0|0,0,1]=3 78 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [0,2,0,0,0,0|2,0,0]=4 79 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [0,2,0,0,0,0|2,0,0]=4 80 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [0,2,0,0,0,0|1,0,0]=3 81 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [0,2,0,0,0,0|1,0,0]=3 82 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [0,2,0,0,0,0|1,0,0]=3 83 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [0,2,0,0,0,0|1,0,0]=3 84 B10R0.74 O=C(CO)NCCNCCO WXVL_AK0954SB2706 [0,2,0,0,0,0|2,0,0]=4 85 B10R0.74 O=C(CO)NCCNCCO WXVL_AK0954SB2706 [0,2,0,0,0,0|2,0,0]=4 86 B10R0.75 CCCCCNC(=O)C(C)C WXVL_AK0076SB0052 [0,2,0,0,0,0|2,0,0]=4 87 B10R0.75 CCCCCNC(=O)C(C)C WXVL_AK0076SB0052 [0,2,0,0,0,0|2,0,0]=4 88 B10R0.75 CCCCCNC(=O)C(C)S WXVL_AK0076SB2708 [0,2,0,0,0,0|1,1,0]=4 89 B10R0.75 CCCCCNC(=O)C(C)S WXVL_AK0076SB2708 [0,2,0,0,0,0|1,1,0]=4 90 B10R0.75 CCCCCNC(=O)C(F)F WXVL_AK0076SB0079 [0,2,0,0,0,0|2,0,0]=4 91 B10R0.75 CCCCCNC(=O)C(F)F WXVL_AK0076SB0079 [0,2,0,0,0,0|2,0,0]=4 92 B10R0.75 CCCCCNC(=O)[C@@H](C)O WXVL_AK0076SB1085 [0,2,0,0,0,0|1,0,0]=3 93 B10R0.75 CCCCCNC(=O)[C@@H](C)O WXVL_AK0076SB1085 [0,2,0,0,0,0|1,0,0]=3 94 B10R0.75 CCSCCNC(=O)[C@@H](C)O WXVL_AK00494SB1085 [0,2,0,0,0,0|2,0,0]=4 95 B10R0.75 CCSCCNC(=O)[C@@H](C)O WXVL_AK00494SB1085 [0,2,0,0,0,0|2,0,0]=4 96 B10R0.75 COCCCNC(=O)[C@@H](C)O WXVL_AK00637SB1085 [0,2,0,0,0,0|2,0,0]=4 97 B10R0.75 COCCCNC(=O)[C@@H](C)O WXVL_AK00637SB1085 [0,2,0,0,0,0|2,0,0]=4 98 B10R0.75 CSCCCNC(=O)[C@@H](C)O WXVL_AK0965SB1085 [0,2,0,0,0,0|2,0,0]=4 99 B10R0.75 CSCCCNC(=O)[C@@H](C)O WXVL_AK0965SB1085 [0,2,0,0,0,0|2,0,0]=4 100 B10R0.75 C[C@@H](O)C(=O)NCCCCO WXVL_AK0075SB1085 [0,2,0,0,0,0|2,0,0]=4 101 B10R0.75 C[C@@H](O)C(=O)NCCCCO WXVL_AK0075SB1085 [0,2,0,0,0,0|2,0,0]=4 102 B10R0.1 C#CCC(=O)NCCCCC WXVL_AK0076SB3070 [0,2,0,0,0,0|2,0,0]=4 103 B10R0.1 C#CCC(=O)NCCCCC WXVL_AK0076SB3070 [0,2,0,0,0,0|2,0,0]=4 104 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [0,2,0,0,0,0|1,0,1]=4 105 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [0,2,0,0,0,0|1,0,1]=4 106 B10R0.1 C=CCC(=O)NCCCCC WXVL_AK0076SB2732 [0,2,0,0,0,0|2,0,0]=4 107 B10R0.1 C=CCC(=O)NCCCCC WXVL_AK0076SB2732 [0,2,0,0,0,0|2,0,0]=4 108 B10R0.1 CCCCCNC(=O)CC#N WXVL_AK0076SB0057 [0,2,0,0,0,0|2,0,0]=4 109 B10R0.1 CCCCCNC(=O)CC#N WXVL_AK0076SB0057 [0,2,0,0,0,0|2,0,0]=4 110 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,2,0,0,0,0|1,0,1]=4 111 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,2,0,0,0,0|1,0,1]=4 112 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [0,2,0,0,0,0|1,0,0]=3 113 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [0,2,0,0,0,0|1,0,0]=3 114 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [0,2,0,0,0,0|1,1,0]=4 115 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [0,2,0,0,0,0|1,1,0]=4 116 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,2,0,0,0,0|2,0,0]=4 117 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,2,0,0,0,0|2,0,0]=4 118 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,2,0,0,0,0|2,0,0]=4 119 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,2,0,0,0,0|2,0,0]=4 120 B10R0.1 CCSCCNC(=O)COC WXVL_AK00494SB0090 [0,2,0,0,0,0|2,0,0]=4 121 B10R0.1 CCSCCNC(=O)COC WXVL_AK00494SB0090 [0,2,0,0,0,0|2,0,0]=4 122 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [0,2,0,0,0,0|2,0,0]=4 123 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [0,2,0,0,0,0|2,0,0]=4 124 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [0,2,0,0,0,0|2,0,0]=4 125 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [0,2,0,0,0,0|2,0,0]=4 126 B10R0.1 COCCCNC(=O)COC WXVL_AK00637SB0090 [0,2,0,0,0,0|2,0,0]=4 127 B10R0.1 COCCCNC(=O)COC WXVL_AK00637SB0090 [0,2,0,0,0,0|2,0,0]=4 128 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [0,2,0,0,0,0|2,0,0]=4 129 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [0,2,0,0,0,0|2,0,0]=4 130 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [0,2,0,0,0,0|2,0,0]=4 131 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [0,2,0,0,0,0|2,0,0]=4 132 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [0,2,0,0,0,0|1,0,1]=4 133 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [0,2,0,0,0,0|1,0,1]=4 134 B10R0.91 CCCCNC(=O)/C=C/CBr WXVL_AK00588SB0424 [0,2,0,0,0,0|1,0,1]=4 135 B10R0.91 CCCCNC(=O)/C=C/CBr WXVL_AK00588SB0424 [0,2,0,0,0,0|1,0,1]=4 136 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [0,2,0,0,0,0|1,0,1]=4 137 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [0,2,0,0,0,0|1,0,1]=4 138 B10R0.59 CC(CO)CCNC(=O)CO WXVL_AK4143SB2706 [0,2,0,0,0,0|2,0,0]=4 139 B10R0.59 CC(CO)CCNC(=O)CO WXVL_AK4143SB2706 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.66 NC(=O)/C=C/C1CCCC1 WXVL_AK0084SB5314 [0,1,0,1,0,0|0,0,2]=4 141 B10R1.66 NC(=O)/C=C/C1CCCC1 WXVL_AK0084SB5314 [0,1,0,1,0,0|0,0,2]=4 142 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [0,1,0,1,0,0|2,0,0]=4 143 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [0,1,0,1,0,0|2,0,0]=4 147 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.15 O=C(CO)N1CCOCC1 WXVL_AN00478SB2706 [0,1,0,1,0,0|2,0,0]=4 149 B10R1.15 O=C(CO)N1CCOCC1 WXVL_AN00478SB2706 [0,1,0,1,0,0|2,0,0]=4 150 B10R1.15 O=C(CO)N1CCSCC1 WXVL_AN0896SB2706 [0,1,0,1,0,0|2,0,0]=4 151 B10R1.149 CCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0064 [0,1,0,1,0,0|2,0,0]=4 152 B10R1.149 C[C@@H]1CCCN1C(=O)CO WXVL_AN00593SB2706 [0,1,0,1,0,0|1,0,0]=3 153 B10R1.151 CCC(=O)NCC1CCC1 WXVL_AK00492SB0064 [0,1,0,1,0,0|2,0,0]=4 154 B10R1.151 CCC(=O)NCC1CCC1 WXVL_AK00492SB0064 [0,1,0,1,0,0|2,0,0]=4 155 B10R1.151 O=C(CO)NCC1CCC1 WXVL_AK00492SB2706 [0,1,0,1,0,0|1,0,0]=3 156 B10R1.151 O=C(CO)NCC1CCC1 WXVL_AK00492SB2706 [0,1,0,1,0,0|1,0,0]=3 157 B10R1.151 O=C(CO)NCC1CCO1 WXVL_AK1433SB2706 [0,1,0,1,0,0|2,0,0]=4 158 B10R1.151 O=C(CO)NCC1CCO1 WXVL_AK1433SB2706 [0,1,0,1,0,0|2,0,0]=4 159 B10R1.151 O=C(CO)NCC1COC1 WXVL_AK0186SB2706 [0,1,0,1,0,0|2,0,0]=4 160 B10R1.151 O=C(CO)NCC1COC1 WXVL_AK0186SB2706 [0,1,0,1,0,0|2,0,0]=4 161 B10R1.153 CCC(=O)NCCC1CC1 WXVL_AK00594SB0064 [0,1,0,1,0,0|2,0,0]=4 162 B10R1.153 CCC(=O)NCCC1CC1 WXVL_AK00594SB0064 [0,1,0,1,0,0|2,0,0]=4 163 B10R1.153 O=C(CO)NCCC1CC1 WXVL_AK00594SB2706 [0,1,0,1,0,0|1,0,0]=3 164 B10R1.153 O=C(CO)NCCC1CC1 WXVL_AK00594SB2706 [0,1,0,1,0,0|1,0,0]=3 165 B10R1.175 O=C(CO)N1CC[C@@H]1CO WXVL_AN00694SB2706 [0,1,0,1,0,0|2,0,0]=4 166 B10R1.175 O=C(CO)N1CC[C@H]1CO WXVL_AN3414SB2706 [0,1,0,1,0,0|2,0,0]=4 167 B10R1.175 O=C(CO)N1CC[C@H]1CO WXVL_AN3414SB2706 [0,1,0,1,0,0|2,0,0]=4