0 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 NC(=O)/C=C/CBr WXVL_AK0084SB0424 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.4 NC(=O)/C=C/CBr WXVL_AK0084SB0424 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.5 CCNC(=O)C=C(C)C WXVL_AK00476SB0342 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.5 CCNC(=O)C=C(C)C WXVL_AK00476SB0342 [0,1,0,0,0,0|3,0,0]=4 34 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [0,1,0,0,0,0|1,0,2]=4 39 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [0,1,0,0,0,0|1,0,2]=4 40 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,1,0,0,0,0|1,0,2]=4 41 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,1,0,0,0,0|1,0,1]=3 45 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,1,0,0,0,0|2,0,0]=3 47 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,1,0,0,0,0|1,0,2]=4 55 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,1,0,0,0,0|1,0,2]=4 56 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [0,1,0,0,0,0|2,0,1]=4 58 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,1,0,0,0,0|1,0,2]=4 65 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,1,0,0,0,0|1,0,2]=4 66 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,1,0,0,0,0|1,0,2]=4 67 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,1,0,0,0,0|1,0,2]=4 68 B8R0.8 C=C(F)C(=O)NCCC WXVL_AK00504SB1376 [0,1,0,0,0,0|3,0,0]=4 69 B8R0.8 C=C(F)C(=O)NCCC WXVL_AK00504SB1376 [0,1,0,0,0,0|3,0,0]=4 70 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,1,0,0,0,0|3,0,0]=4 71 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,1,0,0,0,0|3,0,0]=4 72 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,1,0,0,0,0|1,0,2]=4 74 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,1,0,0,0,0|2,0,0]=3 75 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,1,0,0,0,0|2,0,0]=3 76 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,1,0,0,0,0|2,0,0]=3 77 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.8 NC(=O)C(=O)NCCF WXVL_AK00466SB0128 [0,1,0,0,0,0|3,0,0]=4 81 B8R0.8 NC(=O)C(=O)NCCF WXVL_AK00466SB0128 [0,1,0,0,0,0|3,0,0]=4 82 B8R0.28 CC(=O)NCCC(C)C WXVL_AK0068SB0150 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.28 CC(=O)NCCC(C)C WXVL_AK0068SB0150 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [0,1,0,0,0,0|1,0,2]=4 85 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [0,1,0,0,0,0|1,0,2]=4 86 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,0,0,1,0,0|1,0,2]=4 89 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,0,0,1,0,0|1,0,2]=4 90 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [0,0,0,1,0,0|1,0,2]=4 97 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [0,0,0,1,0,0|1,0,2]=4 98 B8R1.35 NC(=O)C=CC1CC1 WXVL_AK0084SB4216 [0,0,0,1,0,0|1,0,0]=2 99 B8R1.35 NC(=O)C=CC1CC1 WXVL_AK0084SB4216 [0,0,0,1,0,0|1,0,0]=2 100 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [0,0,0,1,0,0|1,0,2]=4 101 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [0,0,0,1,0,0|1,0,2]=4 102 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [2,0,0,0,0,0|1,0,0]=3 103 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [2,0,0,0,0,0|1,0,0]=3 104 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [2,0,0,0,0,0|1,0,0]=3 105 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [2,0,0,0,0,0|1,0,0]=3 106 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|2,0,0]=4 107 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|2,0,0]=4 108 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [2,0,0,0,0,0|2,0,0]=4 109 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [2,0,0,0,0,0|2,0,0]=4 110 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [2,0,0,0,0,0|2,0,0]=4 111 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [2,0,0,0,0,0|2,0,0]=4 112 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [1,1,0,0,0,0|1,0,1]=4 113 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [1,1,0,0,0,0|1,0,1]=4 114 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [1,1,0,0,0,0|1,0,1]=4 115 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [1,1,0,0,0,0|1,0,1]=4 116 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [1,1,0,0,0,0|1,0,1]=4 117 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [1,1,0,0,0,0|1,0,1]=4 118 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [1,1,0,0,0,0|2,0,0]=4 119 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [1,1,0,0,0,0|2,0,0]=4 120 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [1,1,0,0,0,0|2,0,0]=4 121 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [1,1,0,0,0,0|2,0,0]=4 122 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,1,0,0,0,0|2,0,0]=4 123 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,1,0,0,0,0|2,0,0]=4 124 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [1,1,0,0,0,0|1,0,0]=3 125 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [1,1,0,0,0,0|1,0,0]=3 126 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [1,1,0,0,0,0|2,0,0]=4 127 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [1,1,0,0,0,0|2,0,0]=4 128 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [1,1,0,0,0,0|2,0,0]=4 129 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.5 CC/C=C(\C)/C(=O)N WXVL_AK0084SB0037 [1,1,0,0,0,0|1,0,0]=3 131 B7R0.5 CC/C=C(\C)/C(=O)N WXVL_AK0084SB0037 [1,1,0,0,0,0|1,0,0]=3 132 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [1,1,0,0,0,0|1,0,1]=4 133 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [1,1,0,0,0,0|1,0,1]=4 134 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [1,1,0,0,0,0|2,0,0]=4 137 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [1,1,0,0,0,0|2,0,0]=4 138 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [1,1,0,0,0,0|2,0,0]=4 139 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [1,1,0,0,0,0|2,0,0]=4 140 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [1,1,0,0,0,0|2,0,0]=4 141 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [1,1,0,0,0,0|2,0,0]=4 142 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [1,1,0,0,0,0|2,0,0]=4 144 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [1,1,0,0,0,0|2,0,0]=4 145 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [1,1,0,0,0,0|2,0,0]=4 146 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [1,1,0,0,0,0|2,0,0]=4 147 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [1,1,0,0,0,0|2,0,0]=4 148 B7R0.6 CC(C)/C=C/C(=O)N WXVL_AK0084SB0036 [1,1,0,0,0,0|1,0,0]=3 149 B7R0.6 CC(C)/C=C/C(=O)N WXVL_AK0084SB0036 [1,1,0,0,0,0|1,0,0]=3 150 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [1,1,0,0,0,0|1,0,1]=4 151 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [1,1,0,0,0,0|1,0,1]=4 152 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,1,0,0,0,0|2,0,0]=4 153 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,1,0,0,0,0|2,0,0]=4 154 B9R0.4 CCCNC(=O)C=C(C)C WXVL_AK00504SB0342 [0,2,0,0,0,0|2,0,0]=4 155 B9R0.4 CCCNC(=O)C=C(C)C WXVL_AK00504SB0342 [0,2,0,0,0,0|2,0,0]=4 156 B9R0.34 CCC[C@H](C)NC(=O)CO WXVL_AK00682SB2706 [0,2,0,0,0,0|1,0,1]=4 157 B9R0.34 CCC[C@H](C)NC(=O)CO WXVL_AK00682SB2706 [0,2,0,0,0,0|1,0,1]=4 158 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,2,0,0,0,0|1,0,1]=4 159 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,2,0,0,0,0|1,0,1]=4 160 B9R0.1 CC(C)CCNC(=O)CO WXVL_AK0068SB2706 [0,2,0,0,0,0|1,0,1]=4 161 B9R0.1 CC(C)CCNC(=O)CO WXVL_AK0068SB2706 [0,2,0,0,0,0|1,0,1]=4 162 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|1,0,1]=4 163 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|1,0,1]=4 164 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,2,0,0,0,0|2,0,0]=4 165 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,2,0,0,0,0|2,0,0]=4 166 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,2,0,0,0,0|2,0,0]=4 167 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,2,0,0,0,0|2,0,0]=4 168 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,2,0,0,0,0|0,0,2]=4 169 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,2,0,0,0,0|0,0,2]=4 170 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,2,0,0,0,0|1,0,1]=4 171 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,2,0,0,0,0|1,0,1]=4 172 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,2,0,0,0,0|1,0,1]=4 173 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,2,0,0,0,0|1,0,1]=4 174 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,2,0,0,0,0|1,0,1]=4 175 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,2,0,0,0,0|1,0,1]=4 176 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,2,0,0,0,0|1,0,1]=4 177 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,2,0,0,0,0|1,0,1]=4 178 B9R0.47 CC(=O)C(=O)NCCCO WXVL_AK0073SB0051 [0,2,0,0,0,0|2,0,0]=4 179 B9R0.47 CC(=O)C(=O)NCCCO WXVL_AK0073SB0051 [0,2,0,0,0,0|2,0,0]=4 180 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,2,0,0,0,0|1,0,1]=4 181 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,2,0,0,0,0|1,0,1]=4 182 B9R0.47 CCCCNC(=O)C(=O)N WXVL_AK00588SB0128 [0,2,0,0,0,0|1,0,1]=4 183 B9R0.47 CCCCNC(=O)C(=O)N WXVL_AK00588SB0128 [0,2,0,0,0,0|1,0,1]=4 184 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,2,0,0,0,0|1,0,1]=4 185 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,2,0,0,0,0|1,0,1]=4 186 B9R0.47 CCO/C=C/C(=O)N(C)C WXVL_AN0032SB3226 [0,2,0,0,0,0|2,0,0]=4 187 B9R0.47 CCO/C=C/C(=O)N(C)C WXVL_AN0032SB3226 [0,2,0,0,0,0|2,0,0]=4 188 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,2,0,0,0,0|2,0,0]=4 189 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,2,0,0,0,0|2,0,0]=4 190 B9R0.47 CSCCNC(=O)C(=O)N WXVL_AK00440SB0128 [0,2,0,0,0,0|2,0,0]=4 191 B9R0.47 CSCCNC(=O)C(=O)N WXVL_AK00440SB0128 [0,2,0,0,0,0|2,0,0]=4 192 B9R0.47 NC(=O)C(=O)NCCCO WXVL_AK0073SB0128 [0,2,0,0,0,0|2,0,0]=4 193 B9R0.47 NC(=O)C(=O)NCCCO WXVL_AK0073SB0128 [0,2,0,0,0,0|2,0,0]=4 194 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [0,2,0,0,0,0|1,0,0]=3 195 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [0,2,0,0,0,0|1,0,0]=3 196 B9R0.48 CCCC(=O)NCC(=O)N WXVL_AK0147SB0073 [0,2,0,0,0,0|1,0,1]=4 197 B9R0.48 CCCC(=O)NCC(=O)N WXVL_AK0147SB0073 [0,2,0,0,0,0|1,0,1]=4 198 B9R0.48 CCNC(=O)C#CC(=O)O WXVL_AK00476SB1110 [0,2,0,0,0,0|1,0,1]=4 199 B9R0.48 CCNC(=O)C#CC(=O)O WXVL_AK00476SB1110 [0,2,0,0,0,0|1,0,1]=4 200 B9R0.48 CCOC(=O)/C=C/C(=O)N WXVL_AK0084SB0061 [0,2,0,0,0,0|1,0,1]=4 201 B9R0.48 CCOC(=O)/C=C/C(=O)N WXVL_AK0084SB0061 [0,2,0,0,0,0|1,0,1]=4 202 B9R0.7 CC(=O)C(=O)NCC(C)C WXVL_AK00544SB0051 [0,2,0,0,0,0|2,0,0]=4 203 B9R0.7 CC(=O)C(=O)NCC(C)C WXVL_AK00544SB0051 [0,2,0,0,0,0|2,0,0]=4 204 B9R0.7 CC(=O)C(=O)NCC(C)O WXVL_AK0052SB0051 [0,2,0,0,0,0|2,0,0]=4 205 B9R0.7 CC(=O)C(=O)NCC(C)O WXVL_AK0052SB0051 [0,2,0,0,0,0|2,0,0]=4 206 B9R0.7 CC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB0051 [0,2,0,0,0,0|2,0,0]=4 207 B9R0.7 CC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB0051 [0,2,0,0,0,0|2,0,0]=4 208 B9R0.7 CC(C)CNC(=O)C(=O)N WXVL_AK00544SB0128 [0,2,0,0,0,0|2,0,0]=4 209 B9R0.7 CC(C)CNC(=O)C(=O)N WXVL_AK00544SB0128 [0,2,0,0,0,0|2,0,0]=4 210 B9R0.7 CC(O)CNC(=O)C(=O)N WXVL_AK0052SB0128 [0,2,0,0,0,0|2,0,0]=4 211 B9R0.7 CC(O)CNC(=O)C(=O)N WXVL_AK0052SB0128 [0,2,0,0,0,0|2,0,0]=4 212 B9R0.7 C[C@H](O)CNC(=O)C(=O)N WXVL_AK0113SB0128 [0,2,0,0,0,0|2,0,0]=4 213 B9R0.7 C[C@H](O)CNC(=O)C(=O)N WXVL_AK0113SB0128 [0,2,0,0,0,0|2,0,0]=4 214 B9R0.42 CC[C@H](C)NC(=O)C(=O)C WXVL_AK00678SB0051 [0,2,0,0,0,0|2,0,0]=4 215 B9R0.42 CC[C@H](C)NC(=O)C(=O)C WXVL_AK00678SB0051 [0,2,0,0,0,0|2,0,0]=4 216 B9R0.42 CC[C@H](C)NC(=O)C(=O)N WXVL_AK00678SB0128 [0,2,0,0,0,0|2,0,0]=4 217 B9R0.42 CC[C@H](C)NC(=O)C(=O)N WXVL_AK00678SB0128 [0,2,0,0,0,0|2,0,0]=4 218 B9R0.42 CNC(=O)/C=C(/C)\C(=O)O WXVL_AK00442SB2187 [0,2,0,0,0,0|1,0,1]=4 219 B9R0.42 CNC(=O)/C=C(/C)\C(=O)O WXVL_AK00442SB2187 [0,2,0,0,0,0|1,0,1]=4 220 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [1,0,0,1,0,0|1,0,1]=4 221 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [1,0,0,1,0,0|1,0,1]=4 222 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [1,0,0,1,0,0|1,0,1]=4 223 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [1,0,0,1,0,0|1,0,1]=4 224 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [1,0,0,1,0,0|1,0,1]=4 227 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [1,0,0,1,0,0|1,0,1]=4 228 B9R1.41 CC1=C(CCO1)C(=O)N WXVL_AK0084SC00025 [0,1,0,1,0,0|2,0,0]=4 229 B9R1.41 CC1=C(CCO1)C(=O)N WXVL_AK0084SC00025 [0,1,0,1,0,0|2,0,0]=4 230 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [0,1,0,1,0,0|1,0,1]=4 231 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [0,1,0,1,0,0|1,0,1]=4 232 B9R1.80 CNC(=O)C=CC1CC1 WXVL_AK00442SB4216 [0,1,0,1,0,0|1,0,0]=3 233 B9R1.80 CNC(=O)C=CC1CC1 WXVL_AK00442SB4216 [0,1,0,1,0,0|1,0,0]=3 234 B9R1.6 NC(=O)C1=CCCCO1 WXVL_AK0084SB4858 [0,1,0,1,0,0|1,0,0]=3 235 B9R1.6 NC(=O)C1=CCCCO1 WXVL_AK0084SB4858 [0,1,0,1,0,0|1,0,0]=3 236 B9R1.6 NC(=O)C1=COCCC1 WXVL_AK0084SB2928 [0,1,0,1,0,0|1,0,0]=3 237 B9R1.6 NC(=O)C1=COCCC1 WXVL_AK0084SB2928 [0,1,0,1,0,0|1,0,0]=3 238 B9R1.112 CC(=O)C(=O)NC1CC1 WXVL_AK0001SB0051 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.112 CC(=O)C(=O)NC1CC1 WXVL_AK0001SB0051 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.112 NC(=O)C(=O)NC1CC1 WXVL_AK0001SB0128 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.112 NC(=O)C(=O)NC1CC1 WXVL_AK0001SB0128 [0,1,0,1,0,0|2,0,0]=4