0 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [0,1,0,0,0,0|1,0,1]=3 1 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [0,1,0,0,0,0|1,0,1]=3 2 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [0,1,0,0,0,0|2,0,1]=4 3 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [0,1,0,0,0,0|2,0,1]=4 4 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [0,1,0,0,0,0|0,0,2]=3 5 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [0,1,0,0,0,0|0,0,2]=3 6 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [0,1,0,0,0,0|1,0,2]=4 7 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [0,1,0,0,0,0|1,0,2]=4 8 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [0,1,0,0,0,0|1,0,2]=4 9 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [0,1,0,0,0,0|1,0,2]=4 10 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,1,0,0,0,0|1,0,1]=3 11 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,1,0,0,0,0|1,0,1]=3 12 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,1,0,0,0,0|2,0,1]=4 20 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [0,1,0,0,0,0|2,0,1]=4 21 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,1,0,0,0,0|1,0,1]=3 23 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,1,0,0,0,0|1,0,1]=3 24 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,1,0,0,0,0|1,0,1]=3 27 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,1,0,0,0,0|1,0,1]=3 28 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,1,0,0,0,0|2,0,1]=4 29 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,1,0,0,0,0|2,0,1]=4 30 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,1,0,0,0,0|2,0,1]=4 32 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,1,0,0,0,0|1,0,1]=3 33 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,1,0,0,0,0|1,0,1]=3 34 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,1,0,0,0,0|2,0,1]=4 35 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,1,0,0,0,0|2,0,1]=4 38 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [1,1,0,0,0,0|1,0,1]=4 43 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [1,1,0,0,0,0|1,0,1]=4 45 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [1,1,0,0,0,0|1,0,1]=4 46 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [1,1,0,0,0,0|1,0,1]=4 48 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [1,1,0,0,0,0|1,0,1]=4 49 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [1,1,0,0,0,0|1,0,1]=4 51 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [1,1,0,0,0,0|1,0,1]=4 52 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [1,1,0,0,0,0|1,0,1]=4 53 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [1,1,0,0,0,0|1,0,1]=4 54 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [0,2,0,0,0,0|0,0,1]=3 55 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [0,2,0,0,0,0|0,0,1]=3 56 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [0,2,0,0,0,0|0,0,1]=3 57 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [0,2,0,0,0,0|0,0,1]=3 58 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [0,2,0,0,0,0|0,0,2]=4 59 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [0,2,0,0,0,0|0,0,2]=4 60 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [0,2,0,0,0,0|0,0,1]=3 61 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [0,2,0,0,0,0|0,0,1]=3 62 B10R0.6 CC(C)CC(=O)NCCCO WXVL_AK0073SB0063 [0,2,0,0,0,0|1,0,1]=4 63 B10R0.6 CC(C)CC(=O)NCCCO WXVL_AK0073SB0063 [0,2,0,0,0,0|1,0,1]=4 64 B10R0.6 CC(O)CC(=O)NCCCO WXVL_AK0073SB3643 [0,2,0,0,0,0|1,0,1]=4 65 B10R0.6 CC(O)CC(=O)NCCCO WXVL_AK0073SB3643 [0,2,0,0,0,0|1,0,1]=4 66 B10R0.6 CCCCNC(=O)CC(C)O WXVL_AK00588SB3643 [0,2,0,0,0,0|1,0,1]=4 67 B10R0.6 CCCCNC(=O)CC(C)O WXVL_AK00588SB3643 [0,2,0,0,0,0|1,0,1]=4 68 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [0,2,0,0,0,0|0,0,1]=3 69 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [0,2,0,0,0,0|0,0,1]=3 70 B10R0.74 CCC(=O)NCCNCCO WXVL_AK0954SB0064 [0,2,0,0,0,0|1,0,1]=4 71 B10R0.74 CCC(=O)NCCNCCO WXVL_AK0954SB0064 [0,2,0,0,0,0|1,0,1]=4 72 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [0,2,0,0,0,0|0,0,2]=4 73 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [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)CO WXVL_AK0072SB2706 [0,2,0,0,0,0|1,0,1]=4 79 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [0,2,0,0,0,0|1,0,1]=4 80 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [0,2,0,0,0,0|1,0,1]=4 81 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [0,2,0,0,0,0|1,0,1]=4 82 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [0,2,0,0,0,0|1,0,1]=4 83 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [0,2,0,0,0,0|1,0,1]=4 84 B10R0.75 CC(C)C(=O)NCCCCO WXVL_AK0075SB0052 [0,2,0,0,0,0|1,0,1]=4 85 B10R0.75 CC(C)C(=O)NCCCCO WXVL_AK0075SB0052 [0,2,0,0,0,0|1,0,1]=4 86 B10R0.75 CC(S)C(=O)NCCCCO WXVL_AK0075SB2708 [0,2,0,0,0,0|1,0,1]=4 87 B10R0.75 CC(S)C(=O)NCCCCO WXVL_AK0075SB2708 [0,2,0,0,0,0|1,0,1]=4 88 B10R0.75 CCCCCNC(=O)[C@@H](C)O WXVL_AK0076SB1085 [0,2,0,0,0,0|1,0,1]=4 89 B10R0.75 CCCCCNC(=O)[C@@H](C)O WXVL_AK0076SB1085 [0,2,0,0,0,0|1,0,1]=4 90 B10R0.75 CN(C)C(=O)CCCCCO WXVL_AN0032SB2973 [0,2,0,0,0,0|1,0,1]=4 91 B10R0.75 CN(C)C(=O)CCCCCO WXVL_AN0032SB2973 [0,2,0,0,0,0|1,0,1]=4 92 B10R0.75 C[C@@H](O)C(=O)NCCCCO WXVL_AK0075SB1085 [0,2,0,0,0,0|1,0,1]=4 93 B10R0.75 C[C@@H](O)C(=O)NCCCCO WXVL_AK0075SB1085 [0,2,0,0,0,0|1,0,1]=4 94 B10R0.78 CCCCC(C)CCC(=O)N WXVL_AK0084SB1315 [0,2,0,0,0,0|0,0,2]=4 95 B10R0.78 CCCCC(C)CCC(=O)N WXVL_AK0084SB1315 [0,2,0,0,0,0|0,0,2]=4 96 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [0,2,0,0,0,0|0,0,1]=3 97 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [0,2,0,0,0,0|0,0,1]=3 98 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [0,2,0,0,0,0|1,0,1]=4 99 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [0,2,0,0,0,0|1,0,1]=4 100 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,2,0,0,0,0|1,0,1]=4 101 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,2,0,0,0,0|1,0,1]=4 102 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [0,2,0,0,0,0|1,0,1]=4 103 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [0,2,0,0,0,0|1,0,1]=4 104 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,2,0,0,0,0|1,0,1]=4 105 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,2,0,0,0,0|1,0,1]=4 106 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,2,0,0,0,0|0,0,1]=3 107 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,2,0,0,0,0|0,0,1]=3 108 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [0,2,0,0,0,0|1,0,1]=4 109 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [0,2,0,0,0,0|1,0,1]=4 110 B10R0.1 CSCC(=O)NCCCCO WXVL_AK0075SB1267 [0,2,0,0,0,0|1,0,1]=4 111 B10R0.1 CSCC(=O)NCCCCO WXVL_AK0075SB1267 [0,2,0,0,0,0|1,0,1]=4 112 B10R0.2 CCCC(=O)NC(C)CCO WXVL_AK1288SB0073 [0,2,0,0,0,0|1,0,1]=4 113 B10R0.2 CCCC(=O)NC(C)CCO WXVL_AK1288SB0073 [0,2,0,0,0,0|1,0,1]=4 114 B10R0.83 CCC(C)C(=O)NCCCO WXVL_AK0073SB0054 [0,2,0,0,0,0|1,0,1]=4 115 B10R0.83 CCC(C)C(=O)NCCCO WXVL_AK0073SB0054 [0,2,0,0,0,0|1,0,1]=4 116 B10R0.83 CC[C@@H](C)C(=O)NCCCO WXVL_AK0073SB00054 [0,2,0,0,0,0|1,0,1]=4 117 B10R0.83 CC[C@@H](C)C(=O)NCCCO WXVL_AK0073SB00054 [0,2,0,0,0,0|1,0,1]=4 118 B10R0.83 CC[C@H](O)C(=O)NCCCO WXVL_AK0073SB3573 [0,2,0,0,0,0|1,0,1]=4 119 B10R0.83 CC[C@H](O)C(=O)NCCCO WXVL_AK0073SB3573 [0,2,0,0,0,0|1,0,1]=4 120 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [0,2,0,0,0,0|1,0,1]=4 121 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [0,2,0,0,0,0|1,0,1]=4 122 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [0,2,0,0,0,0|1,0,1]=4 123 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [0,2,0,0,0,0|1,0,1]=4 124 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [0,2,0,0,0,0|1,0,1]=4 125 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [0,2,0,0,0,0|1,0,1]=4 126 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [0,2,0,0,0,0|1,0,1]=4 127 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [0,2,0,0,0,0|1,0,1]=4 128 B10R0.91 CCSCC(=O)NCCCO WXVL_AK0073SB0002 [0,2,0,0,0,0|1,0,1]=4 129 B10R0.91 CCSCC(=O)NCCCO WXVL_AK0073SB0002 [0,2,0,0,0,0|1,0,1]=4 130 B10R0.91 COCCC(=O)NCCCO WXVL_AK0073SB0156 [0,2,0,0,0,0|1,0,1]=4 131 B10R0.91 COCCC(=O)NCCCO WXVL_AK0073SB0156 [0,2,0,0,0,0|1,0,1]=4 132 B10R0.91 CSCCC(=O)NCCCO WXVL_AK0073SB0361 [0,2,0,0,0,0|1,0,1]=4 133 B10R0.91 CSCCC(=O)NCCCO WXVL_AK0073SB0361 [0,2,0,0,0,0|1,0,1]=4 134 B10R0.108 CCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0073 [0,2,0,0,0,0|1,0,1]=4 135 B10R0.108 CCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0073 [0,2,0,0,0,0|1,0,1]=4 136 B10R0.108 CCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0073 [0,2,0,0,0,0|1,0,1]=4 137 B10R0.108 CCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0073 [0,2,0,0,0,0|1,0,1]=4 138 B10R0.156 CCCS(=O)(=O)NCCCO WXVL_AK0073HU0030 [0,2,0,0,0,0|2,0,0]=4 139 B10R0.156 CCCS(=O)(=O)NCCCO WXVL_AK0073HU0030 [0,2,0,0,0,0|2,0,0]=4 140 B10R0.59 CCC(=O)NCCC(C)CO WXVL_AK4143SB0064 [0,2,0,0,0,0|1,0,1]=4 141 B10R0.59 CCC(=O)NCCC(C)CO WXVL_AK4143SB0064 [0,2,0,0,0,0|1,0,1]=4 142 B10R0.62 CCS(=O)(=O)NCCCCO WXVL_AK0075HU0028 [0,2,0,0,0,0|2,0,0]=4 143 B10R0.62 CCS(=O)(=O)NCCCCO WXVL_AK0075HU0028 [0,2,0,0,0,0|2,0,0]=4 144 B10R1.18 NC(=O)CC1CCCCO1 WXVL_AK0084SB1464 [0,1,0,1,0,0|1,0,1]=4 145 B10R1.18 NC(=O)CC1CCCCO1 WXVL_AK0084SB1464 [0,1,0,1,0,0|1,0,1]=4 146 B10R1.39 CC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0150 [0,1,0,1,0,0|1,0,1]=4 147 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [0,1,0,1,0,0|1,0,1]=4 148 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [0,1,0,1,0,0|1,0,1]=4 149 B10R1.66 NC(=O)CCC1CCCC1 WXVL_AK0084SB0045 [0,1,0,1,0,0|0,0,2]=4 150 B10R1.66 NC(=O)CCC1CCCC1 WXVL_AK0084SB0045 [0,1,0,1,0,0|0,0,2]=4 151 B10R1.348 NC(=O)C1CCCCCC1 WXVL_AK0084SB0385 [0,1,0,1,0,0|0,0,2]=4 152 B10R1.348 NC(=O)C1CCCCCC1 WXVL_AK0084SB0385 [0,1,0,1,0,0|0,0,2]=4 153 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [0,1,0,1,0,0|1,0,1]=4 154 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [0,1,0,1,0,0|1,0,1]=4 155 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [0,1,0,1,0,0|1,0,1]=4 156 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [0,1,0,1,0,0|1,0,1]=4 157 B10R1.186 O=C(NCCCO)C1CC1 WXVL_AK0073SB0038 [0,1,0,1,0,0|1,0,1]=4 158 B10R1.186 O=C(NCCCO)C1CC1 WXVL_AK0073SB0038 [0,1,0,1,0,0|1,0,1]=4 159 B10R1.15 CNC(=O)C1CCCCO1 WXVL_AK00442SB0206 [0,1,0,1,0,0|1,0,1]=4 160 B10R1.15 CNC(=O)C1CCCCO1 WXVL_AK00442SB0206 [0,1,0,1,0,0|1,0,1]=4 161 B10R1.15 CNC(=O)[C@H]1CCCCO1 WXVL_AK00442SB00044 [0,1,0,1,0,0|1,0,1]=4 162 B10R1.15 CNC(=O)[C@H]1CCCCO1 WXVL_AK00442SB00044 [0,1,0,1,0,0|1,0,1]=4 163 B10R1.149 C[C@@H]1CCCN1C(=O)CO WXVL_AN00593SB2706 [0,1,0,1,0,0|1,0,1]=4 164 B10R1.151 CCC(=O)NCC1CCO1 WXVL_AK1433SB0064 [0,1,0,1,0,0|1,0,1]=4 165 B10R1.151 CCC(=O)NCC1CCO1 WXVL_AK1433SB0064 [0,1,0,1,0,0|1,0,1]=4 166 B10R1.151 O=C(CO)NCC1CCC1 WXVL_AK00492SB2706 [0,1,0,1,0,0|1,0,1]=4 167 B10R1.151 O=C(CO)NCC1CCC1 WXVL_AK00492SB2706 [0,1,0,1,0,0|1,0,1]=4 168 B10R1.153 O=C(CO)NCCC1CC1 WXVL_AK00594SB2706 [0,1,0,1,0,0|1,0,1]=4 169 B10R1.153 O=C(CO)NCCC1CC1 WXVL_AK00594SB2706 [0,1,0,1,0,0|1,0,1]=4 170 B10R1.175 CCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0064 [0,1,0,1,0,0|1,0,1]=4 171 B10R1.175 CCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0064 [0,1,0,1,0,0|1,0,1]=4 172 B10R1.175 CCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0064 [0,1,0,1,0,0|1,0,1]=4