0 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [0,0,0,0,0,0|1,0,3]=4 6 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,0,0,0,0,0|1,0,1]=2 13 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,0,0,0,0,0|1,0,1]=2 14 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.4 NC(=O)/C=C/CBr WXVL_AK0084SB0424 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.4 NC(=O)/C=C/CBr WXVL_AK0084SB0424 [1,0,0,0,0,0|2,0,0]=3 40 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [0,1,0,0,0,0|2,0,1]=4 41 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.5 CCCC(=O)NC(C)C WXVL_AK0030SB0073 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.5 CCCC(=O)NC(C)C WXVL_AK0030SB0073 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [0,1,0,0,0,0|1,0,1]=3 45 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.5 CCNC(=O)C=C(C)C WXVL_AK00476SB0342 [0,1,0,0,0,0|2,0,0]=3 47 B8R0.5 CCNC(=O)C=C(C)C WXVL_AK00476SB0342 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.5 COC[C@@H](C)NC(=O)C WXVL_AK00613SB0150 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.5 COC[C@@H](C)NC(=O)C WXVL_AK00613SB0150 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.5 COC[C@H](C)NC(=O)C WXVL_AK0137SB0150 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.5 COC[C@H](C)NC(=O)C WXVL_AK0137SB0150 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,1,0,0,0,0|1,0,2]=4 55 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,1,0,0,0,0|1,0,2]=4 56 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [0,1,0,0,0,0|0,0,2]=3 57 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [0,1,0,0,0,0|0,0,2]=3 58 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,1,0,0,0,0|0,0,2]=3 59 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,1,0,0,0,0|0,0,2]=3 60 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|1,0,1]=3 65 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|1,0,1]=3 66 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,1,0,0,0,0|1,0,1]=3 67 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,1,0,0,0,0|1,0,1]=3 68 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,1,0,0,0,0|1,0,0]=2 70 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,1,0,0,0,0|1,0,2]=4 71 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,1,0,0,0,0|1,0,2]=4 72 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,1,0,0,0,0|1,0,2]=4 74 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.7 C#CCCCNC(=O)C WXVL_AK00218SB0150 [0,1,0,0,0,0|1,0,2]=4 81 B8R0.7 C#CCCCNC(=O)C WXVL_AK00218SB0150 [0,1,0,0,0,0|1,0,2]=4 82 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,1,0,0,0,0|1,0,1]=3 83 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,1,0,0,0,0|1,0,1]=3 84 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,1,0,0,0,0|0,0,2]=3 85 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,1,0,0,0,0|0,0,2]=3 86 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [0,1,0,0,0,0|1,0,1]=3 87 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [0,1,0,0,0,0|1,0,1]=3 88 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [0,1,0,0,0,0|1,0,1]=3 89 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [0,1,0,0,0,0|1,0,1]=3 90 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,1,0,0,0,0|1,0,1]=3 93 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,1,0,0,0,0|1,0,1]=3 94 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,1,0,0,0,0|1,0,2]=4 95 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,1,0,0,0,0|1,0,2]=4 96 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,1,0,0,0,0|1,0,2]=4 97 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,1,0,0,0,0|1,0,2]=4 98 B8R0.8 C=C(F)C(=O)NCCC WXVL_AK00504SB1376 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.8 C=C(F)C(=O)NCCC WXVL_AK00504SB1376 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.8 C=CCNC(=O)C(=O)C WXVL_AK00561SB0051 [0,1,0,0,0,0|1,0,2]=4 101 B8R0.8 C=CCNC(=O)C(=O)C WXVL_AK00561SB0051 [0,1,0,0,0,0|1,0,2]=4 102 B8R0.8 CC(=O)C(=O)NCC#N WXVL_AK0683SB0051 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.8 CC(=O)C(=O)NCC#N WXVL_AK0683SB0051 [0,1,0,0,0,0|2,0,1]=4 104 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,1,0,0,0,0|2,0,0]=3 105 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,1,0,0,0,0|2,0,0]=3 106 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,1,0,0,0,0|1,0,2]=4 107 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,1,0,0,0,0|1,0,2]=4 108 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,1,0,0,0,0|1,0,0]=2 109 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,1,0,0,0,0|1,0,0]=2 110 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,1,0,0,0,0|2,0,0]=3 111 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,1,0,0,0,0|2,0,0]=3 112 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,1,0,0,0,0|1,1,1]=4 115 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,1,0,0,0,0|1,1,1]=4 116 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,1,0,0,0,0|1,0,2]=4 117 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,1,0,0,0,0|1,0,2]=4 118 B8R0.8 COCCN(C)C(=O)C WXVL_AN0085SB0150 [0,1,0,0,0,0|2,0,1]=4 119 B8R0.8 COCCN(C)C(=O)C WXVL_AN0085SB0150 [0,1,0,0,0,0|2,0,1]=4 120 B8R0.8 NC(=O)C(=O)NCCF WXVL_AK00466SB0128 [0,1,0,0,0,0|3,0,0]=4 121 B8R0.8 NC(=O)C(=O)NCCF WXVL_AK00466SB0128 [0,1,0,0,0,0|3,0,0]=4 122 B8R0.9 CC(=O)NC[C@@H](F)CO WXVL_AK00590SB0150 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.9 CC(=O)NC[C@@H](F)CO WXVL_AK00590SB0150 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.9 CC(=O)NC[C@H](O)CO WXVL_AK00483SB0150 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.9 CC(=O)NC[C@H](O)CO WXVL_AK00483SB0150 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.9 CO[C@H](C)CNC(=O)C WXVL_AK00704SB0150 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.9 CO[C@H](C)CNC(=O)C WXVL_AK00704SB0150 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.28 CC(=O)NCCC(C)C WXVL_AK0068SB0150 [0,1,0,0,0,0|1,0,1]=3 129 B8R0.28 CC(=O)NCCC(C)C WXVL_AK0068SB0150 [0,1,0,0,0,0|1,0,1]=3 130 B8R0.28 CC(=O)NCCN(C)C WXVL_AK0058SB0150 [0,1,0,0,0,0|2,0,1]=4 131 B8R0.28 CC(=O)NCCN(C)C WXVL_AK0058SB0150 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [0,1,0,0,0,0|1,0,2]=4 133 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [0,1,0,0,0,0|1,0,2]=4 134 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [0,0,0,1,0,0|1,0,1]=3 135 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [0,0,0,1,0,0|1,0,1]=3 136 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,0,0,1,0,0|1,0,2]=4 137 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,0,0,1,0,0|1,0,2]=4 138 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.34 CC(=O)NC1CNC1 WXVL_AK1291SB0150 [0,0,0,1,0,0|2,0,1]=4 145 B8R1.34 CC(=O)NC1CNC1 WXVL_AK1291SB0150 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.34 CC(=O)NC1CSC1 WXVL_AK2089SB0150 [0,0,0,1,0,0|2,0,1]=4 147 B8R1.34 CC(=O)NC1CSC1 WXVL_AK2089SB0150 [0,0,0,1,0,0|2,0,1]=4 148 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [0,0,0,1,0,0|1,0,2]=4 149 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [0,0,0,1,0,0|1,0,2]=4 150 B8R1.35 NC(=O)C=CC1CC1 WXVL_AK0084SB4216 [0,0,0,1,0,0|1,0,0]=2 151 B8R1.35 NC(=O)C=CC1CC1 WXVL_AK0084SB4216 [0,0,0,1,0,0|1,0,0]=2 152 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [0,0,0,1,0,0|1,0,2]=4 153 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [0,0,0,1,0,0|1,0,2]=4 154 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [2,0,0,0,0,0|1,0,0]=3 155 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [2,0,0,0,0,0|1,0,0]=3 156 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [2,0,0,0,0,0|1,0,0]=3 157 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [2,0,0,0,0,0|1,0,0]=3 158 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|1,0,0]=3 159 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|1,0,0]=3 160 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [2,0,0,0,0,0|2,0,0]=4 161 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [2,0,0,0,0,0|2,0,0]=4 162 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [2,0,0,0,0,0|2,0,0]=4 163 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [2,0,0,0,0,0|2,0,0]=4 164 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [1,1,0,0,0,0|2,0,0]=4 165 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [1,1,0,0,0,0|2,0,0]=4 166 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [1,1,0,0,0,0|2,0,0]=4 167 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [1,1,0,0,0,0|2,0,0]=4 168 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [1,1,0,0,0,0|1,0,1]=4 170 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [1,1,0,0,0,0|1,0,1]=4 171 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [1,1,0,0,0,0|1,0,1]=4 172 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [1,1,0,0,0,0|1,0,1]=4 173 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [1,1,0,0,0,0|1,0,1]=4 174 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [1,1,0,0,0,0|1,0,0]=3 175 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [1,1,0,0,0,0|1,0,0]=3 176 B7R0.2 CNC(=O)C=C(C)C WXVL_AK00442SB0342 [1,1,0,0,0,0|2,0,0]=4 177 B7R0.2 CNC(=O)C=C(C)C WXVL_AK00442SB0342 [1,1,0,0,0,0|2,0,0]=4 178 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [1,1,0,0,0,0|1,0,1]=4 180 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [1,1,0,0,0,0|2,0,0]=4 181 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [1,1,0,0,0,0|2,0,0]=4 182 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,1,0,0,0,0|1,0,0]=3 183 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,1,0,0,0,0|1,0,0]=3 184 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [1,1,0,0,0,0|1,0,0]=3 185 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [1,1,0,0,0,0|1,0,0]=3 186 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [1,1,0,0,0,0|1,0,1]=4 189 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [1,1,0,0,0,0|1,0,1]=4 190 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [1,1,0,0,0,0|1,0,0]=3 191 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [1,1,0,0,0,0|1,0,0]=3 192 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [1,1,0,0,0,0|1,0,1]=4 193 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [1,1,0,0,0,0|1,0,1]=4 194 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [1,1,0,0,0,0|1,0,1]=4 195 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [1,1,0,0,0,0|1,0,1]=4 196 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [1,1,0,0,0,0|2,0,0]=4 197 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [1,1,0,0,0,0|2,0,0]=4 198 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [1,1,0,0,0,0|2,0,0]=4 199 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [1,1,0,0,0,0|2,0,0]=4 200 B7R0.5 CC(=O)N(C)CCO WXVL_AN2670SB0150 [1,1,0,0,0,0|2,0,0]=4 201 B7R0.5 CC(=O)N(C)CCO WXVL_AN2670SB0150 [1,1,0,0,0,0|2,0,0]=4 202 B7R0.5 CC/C=C(\C)/C(=O)N WXVL_AK0084SB0037 [1,1,0,0,0,0|1,0,0]=3 203 B7R0.5 CC/C=C(\C)/C(=O)N WXVL_AK0084SB0037 [1,1,0,0,0,0|1,0,0]=3 204 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [1,1,0,0,0,0|2,0,0]=4 205 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [1,1,0,0,0,0|2,0,0]=4 206 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [1,1,0,0,0,0|1,0,1]=4 207 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [1,1,0,0,0,0|1,0,1]=4 208 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [1,1,0,0,0,0|1,0,1]=4 209 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [1,1,0,0,0,0|1,0,1]=4 210 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [1,1,0,0,0,0|1,0,0]=3 211 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [1,1,0,0,0,0|1,0,0]=3 212 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [1,1,0,0,0,0|2,0,0]=4 213 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [1,1,0,0,0,0|2,0,0]=4 214 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [1,1,0,0,0,0|2,0,0]=4 215 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [1,1,0,0,0,0|2,0,0]=4 216 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [1,1,0,0,0,0|1,0,1]=4 217 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [1,1,0,0,0,0|1,0,1]=4 218 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [1,1,0,0,0,0|1,0,0]=3 219 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [1,1,0,0,0,0|1,0,0]=3 220 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [1,1,0,0,0,0|1,0,0]=3 221 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [1,1,0,0,0,0|1,0,0]=3 222 B7R0.6 CC(=O)NCC(F)F WXVL_AK0136SB0150 [1,1,0,0,0,0|2,0,0]=4 223 B7R0.6 CC(=O)NCC(F)F WXVL_AK0136SB0150 [1,1,0,0,0,0|2,0,0]=4 224 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [1,1,0,0,0,0|1,0,0]=3 225 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [1,1,0,0,0,0|1,0,0]=3 226 B7R0.6 CC(C)/C=C/C(=O)N WXVL_AK0084SB0036 [1,1,0,0,0,0|1,0,0]=3 227 B7R0.6 CC(C)/C=C/C(=O)N WXVL_AK0084SB0036 [1,1,0,0,0,0|1,0,0]=3 228 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [1,1,0,0,0,0|1,0,1]=4 229 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,1,0,0,0,0|1,0,0]=3 231 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,1,0,0,0,0|1,0,0]=3 232 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|1,0,1]=4 233 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|1,0,1]=4 234 B9R0.4 CC(=CC(=O)NCCF)C WXVL_AK00466SB0342 [0,2,0,0,0,0|2,0,0]=4 235 B9R0.4 CC(=CC(=O)NCCF)C WXVL_AK00466SB0342 [0,2,0,0,0,0|2,0,0]=4 236 B9R0.4 CCCNC(=O)C=C(C)C WXVL_AK00504SB0342 [0,2,0,0,0,0|1,0,0]=3 237 B9R0.4 CCCNC(=O)C=C(C)C WXVL_AK00504SB0342 [0,2,0,0,0,0|1,0,0]=3 238 B9R0.6 CC(=O)C(=O)N(C)CCO WXVL_AN2670SB0051 [0,2,0,0,0,0|2,0,0]=4 239 B9R0.6 CC(=O)C(=O)N(C)CCO WXVL_AN2670SB0051 [0,2,0,0,0,0|2,0,0]=4 240 B9R0.14 CCC[C@@H](CO)NC(=O)C WXVL_AK2551SB0150 [0,2,0,0,0,0|1,0,1]=4 241 B9R0.14 CCC[C@@H](CO)NC(=O)C WXVL_AK2551SB0150 [0,2,0,0,0,0|1,0,1]=4 242 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [0,2,0,0,0,0|1,0,1]=4 243 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [0,2,0,0,0,0|1,0,1]=4 244 B9R0.34 CCC[C@H](C)NC(=O)CO WXVL_AK00682SB2706 [0,2,0,0,0,0|1,0,1]=4 245 B9R0.34 CCC[C@H](C)NC(=O)CO WXVL_AK00682SB2706 [0,2,0,0,0,0|1,0,1]=4 246 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,2,0,0,0,0|1,0,1]=4 247 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,2,0,0,0,0|1,0,1]=4 248 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,2,0,0,0,0|1,0,1]=4 249 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,2,0,0,0,0|1,0,1]=4 250 B9R0.53 CC(=CC(=O)NC(C)C)C WXVL_AK0030SB0342 [0,2,0,0,0,0|2,0,0]=4 251 B9R0.53 CC(=CC(=O)NC(C)C)C WXVL_AK0030SB0342 [0,2,0,0,0,0|2,0,0]=4 252 B9R0.1 CC(=O)NCCC(C)CO WXVL_AK4143SB0150 [0,2,0,0,0,0|1,0,1]=4 253 B9R0.1 CC(=O)NCCC(C)CO WXVL_AK4143SB0150 [0,2,0,0,0,0|1,0,1]=4 254 B9R0.1 CC(C)CCNC(=O)CO WXVL_AK0068SB2706 [0,2,0,0,0,0|1,0,1]=4 255 B9R0.1 CC(C)CCNC(=O)CO WXVL_AK0068SB2706 [0,2,0,0,0,0|1,0,1]=4 256 B9R0.1 CCC(=O)NCCC(C)C WXVL_AK0068SB0064 [0,2,0,0,0,0|1,0,1]=4 257 B9R0.1 CCC(=O)NCCC(C)C WXVL_AK0068SB0064 [0,2,0,0,0,0|1,0,1]=4 258 B9R0.1 CNC(=O)CCCC(C)C WXVL_AK00442SB1301 [0,2,0,0,0,0|0,0,2]=4 259 B9R0.1 CNC(=O)CCCC(C)C WXVL_AK00442SB1301 [0,2,0,0,0,0|0,0,2]=4 260 B9R0.5 C#CCC(=O)NCCCC WXVL_AK00588SB3070 [0,2,0,0,0,0|1,0,1]=4 261 B9R0.5 C#CCC(=O)NCCCC WXVL_AK00588SB3070 [0,2,0,0,0,0|1,0,1]=4 262 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,2,0,0,0,0|1,0,1]=4 263 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,2,0,0,0,0|1,0,1]=4 264 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,2,0,0,0,0|0,0,2]=4 265 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,2,0,0,0,0|0,0,2]=4 266 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [0,2,0,0,0,0|1,0,1]=4 267 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [0,2,0,0,0,0|1,0,1]=4 268 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,2,0,0,0,0|1,0,1]=4 269 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,2,0,0,0,0|1,0,1]=4 270 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,2,0,0,0,0|0,0,2]=4 271 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,2,0,0,0,0|0,0,2]=4 272 B9R0.5 CCCCNC(=O)CC#N WXVL_AK00588SB0057 [0,2,0,0,0,0|1,0,1]=4 273 B9R0.5 CCCCNC(=O)CC#N WXVL_AK00588SB0057 [0,2,0,0,0,0|1,0,1]=4 274 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,2,0,0,0,0|1,0,1]=4 275 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,2,0,0,0,0|1,0,1]=4 276 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|1,0,1]=4 277 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|1,0,1]=4 278 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,2,0,0,0,0|1,0,1]=4 279 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,2,0,0,0,0|1,0,1]=4 280 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,2,0,0,0,0|1,0,0]=3 281 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,2,0,0,0,0|1,0,0]=3 282 B9R0.8 C/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0343 [0,2,0,0,0,0|2,0,0]=4 283 B9R0.8 C/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0343 [0,2,0,0,0,0|2,0,0]=4 284 B9R0.8 CCC(=O)C(=O)NCCF WXVL_AK00466SB0344 [0,2,0,0,0,0|2,0,0]=4 285 B9R0.8 CCC(=O)C(=O)NCCF WXVL_AK00466SB0344 [0,2,0,0,0,0|2,0,0]=4 286 B9R0.8 CCCCC(O)C(=O)NC WXVL_AK00442SB3429 [0,2,0,0,0,0|0,0,2]=4 287 B9R0.8 CCCCC(O)C(=O)NC WXVL_AK00442SB3429 [0,2,0,0,0,0|0,0,2]=4 288 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,2,0,0,0,0|1,0,0]=3 289 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,2,0,0,0,0|1,0,0]=3 290 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,2,0,0,0,0|1,0,1]=4 291 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,2,0,0,0,0|1,0,1]=4 292 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,2,0,0,0,0|1,0,1]=4 293 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,2,0,0,0,0|1,0,1]=4 294 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [0,2,0,0,0,0|1,0,1]=4 295 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [0,2,0,0,0,0|1,0,1]=4 296 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,2,0,0,0,0|0,0,2]=4 297 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,2,0,0,0,0|0,0,2]=4 298 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,2,0,0,0,0|0,0,2]=4 299 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,2,0,0,0,0|0,0,2]=4 300 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [0,2,0,0,0,0|1,0,1]=4 301 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [0,2,0,0,0,0|1,0,1]=4 302 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,2,0,0,0,0|1,0,1]=4 303 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,2,0,0,0,0|1,0,1]=4 304 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,2,0,0,0,0|0,0,2]=4 305 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,2,0,0,0,0|0,0,2]=4 306 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,2,0,0,0,0|0,0,2]=4 307 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,2,0,0,0,0|0,0,2]=4 308 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [0,2,0,0,0,0|1,0,1]=4 309 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [0,2,0,0,0,0|1,0,1]=4 310 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,2,0,0,0,0|1,0,1]=4 311 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,2,0,0,0,0|1,0,1]=4 312 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,2,0,0,0,0|1,0,1]=4 313 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,2,0,0,0,0|1,0,1]=4 314 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,2,0,0,0,0|1,0,1]=4 315 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,2,0,0,0,0|1,0,1]=4 316 B9R0.47 C#CCCNC(=O)C(=O)C WXVL_AK3109SB0051 [0,2,0,0,0,0|1,0,1]=4 317 B9R0.47 C#CCCNC(=O)C(=O)C WXVL_AK3109SB0051 [0,2,0,0,0,0|1,0,1]=4 318 B9R0.47 C/C=C/C=C/C(=O)N(C)C WXVL_AN0032SB0348 [0,2,0,0,0,0|0,0,2]=4 319 B9R0.47 C/C=C/C=C/C(=O)N(C)C WXVL_AN0032SB0348 [0,2,0,0,0,0|0,0,2]=4 320 B9R0.47 C=CCCNC(=O)C(=O)C WXVL_AK00138SB0051 [0,2,0,0,0,0|1,0,1]=4 321 B9R0.47 C=CCCNC(=O)C(=O)C WXVL_AK00138SB0051 [0,2,0,0,0,0|1,0,1]=4 322 B9R0.47 CC(=O)C(=O)NCCC#N WXVL_AK0087SB0051 [0,2,0,0,0,0|1,0,1]=4 323 B9R0.47 CC(=O)C(=O)NCCC#N WXVL_AK0087SB0051 [0,2,0,0,0,0|1,0,1]=4 324 B9R0.47 CC(=O)C(=O)NCCCO WXVL_AK0073SB0051 [0,2,0,0,0,0|1,0,0]=3 325 B9R0.47 CC(=O)C(=O)NCCCO WXVL_AK0073SB0051 [0,2,0,0,0,0|1,0,0]=3 326 B9R0.47 CC/C=C/CC(=O)N(C)C WXVL_AN0032SB0349 [0,2,0,0,0,0|0,0,2]=4 327 B9R0.47 CC/C=C/CC(=O)N(C)C WXVL_AN0032SB0349 [0,2,0,0,0,0|0,0,2]=4 328 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,2,0,0,0,0|0,0,1]=3 329 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,2,0,0,0,0|0,0,1]=3 330 B9R0.47 CCCCNC(=O)C(=O)N WXVL_AK00588SB0128 [0,2,0,0,0,0|1,0,1]=4 331 B9R0.47 CCCCNC(=O)C(=O)N WXVL_AK00588SB0128 [0,2,0,0,0,0|1,0,1]=4 332 B9R0.47 CCCCNC(=O)C(C)C WXVL_AK00588SB0052 [0,2,0,0,0,0|1,0,1]=4 333 B9R0.47 CCCCNC(=O)C(C)C WXVL_AK00588SB0052 [0,2,0,0,0,0|1,0,1]=4 334 B9R0.47 CCCCNC(=O)C(C)S WXVL_AK00588SB2708 [0,2,0,0,0,0|1,0,1]=4 335 B9R0.47 CCCCNC(=O)C(C)S WXVL_AK00588SB2708 [0,2,0,0,0,0|1,0,1]=4 336 B9R0.47 CCCCNC(=O)C(F)F WXVL_AK00588SB0079 [0,2,0,0,0,0|1,0,1]=4 337 B9R0.47 CCCCNC(=O)C(F)F WXVL_AK00588SB0079 [0,2,0,0,0,0|1,0,1]=4 338 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,2,0,0,0,0|1,0,1]=4 339 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,2,0,0,0,0|1,0,1]=4 340 B9R0.47 CCO/C=C/C(=O)N(C)C WXVL_AN0032SB3226 [0,2,0,0,0,0|1,0,0]=3 341 B9R0.47 CCO/C=C/C(=O)N(C)C WXVL_AN0032SB3226 [0,2,0,0,0,0|1,0,0]=3 342 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,2,0,0,0,0|1,0,0]=3 343 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,2,0,0,0,0|1,0,0]=3 344 B9R0.47 CSCCNC(=O)C(=O)N WXVL_AK00440SB0128 [0,2,0,0,0,0|2,0,0]=4 345 B9R0.47 CSCCNC(=O)C(=O)N WXVL_AK00440SB0128 [0,2,0,0,0,0|2,0,0]=4 346 B9R0.47 NC(=O)C(=O)NCCCO WXVL_AK0073SB0128 [0,2,0,0,0,0|2,0,0]=4 347 B9R0.47 NC(=O)C(=O)NCCCO WXVL_AK0073SB0128 [0,2,0,0,0,0|2,0,0]=4 348 B9R0.2 C#CCCCCNC(=O)C WXVL_AK00614SB0150 [0,2,0,0,0,0|1,0,1]=4 349 B9R0.2 C#CCCCCNC(=O)C WXVL_AK00614SB0150 [0,2,0,0,0,0|1,0,1]=4 350 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [0,2,0,0,0,0|0,0,2]=4 351 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [0,2,0,0,0,0|0,0,2]=4 352 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [0,2,0,0,0,0|1,0,1]=4 353 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [0,2,0,0,0,0|1,0,1]=4 354 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [0,2,0,0,0,0|1,0,0]=3 355 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [0,2,0,0,0,0|1,0,0]=3 356 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [0,2,0,0,0,0|0,0,2]=4 357 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [0,2,0,0,0,0|0,0,2]=4 358 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [0,2,0,0,0,0|0,0,2]=4 359 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [0,2,0,0,0,0|0,0,2]=4 360 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [0,2,0,0,0,0|1,0,1]=4 361 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [0,2,0,0,0,0|1,0,1]=4 362 B9R0.48 CCCC(=O)NCC(=O)N WXVL_AK0147SB0073 [0,2,0,0,0,0|1,0,1]=4 363 B9R0.48 CCCC(=O)NCC(=O)N WXVL_AK0147SB0073 [0,2,0,0,0,0|1,0,1]=4 364 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,2,0,0,0,0|1,0,1]=4 365 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,2,0,0,0,0|1,0,1]=4 366 B9R0.48 CCNC(=O)CNC(=O)C WXVL_AK00476SB0357 [0,2,0,0,0,0|1,0,1]=4 367 B9R0.48 CCNC(=O)CNC(=O)C WXVL_AK00476SB0357 [0,2,0,0,0,0|1,0,1]=4 368 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [0,2,0,0,0,0|1,0,1]=4 369 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [0,2,0,0,0,0|1,0,1]=4 370 B9R0.48 CCNC(=O)CSC(=O)C WXVL_AK00476SB3992 [0,2,0,0,0,0|1,0,1]=4 371 B9R0.48 CCNC(=O)CSC(=O)C WXVL_AK00476SB3992 [0,2,0,0,0,0|1,0,1]=4 372 B9R0.48 CCOC(=O)/C=C/C(=O)N WXVL_AK0084SB0061 [0,2,0,0,0,0|1,0,1]=4 373 B9R0.48 CCOC(=O)/C=C/C(=O)N WXVL_AK0084SB0061 [0,2,0,0,0,0|1,0,1]=4 374 B9R0.55 CC(=O)NCCOC(C)C WXVL_AK0128SB0150 [0,2,0,0,0,0|1,0,1]=4 375 B9R0.55 CC(=O)NCCOC(C)C WXVL_AK0128SB0150 [0,2,0,0,0,0|1,0,1]=4 376 B9R0.7 C=C(C)CNC(=O)C(=O)C WXVL_AK0761SB0051 [0,2,0,0,0,0|1,0,1]=4 377 B9R0.7 C=C(C)CNC(=O)C(=O)C WXVL_AK0761SB0051 [0,2,0,0,0,0|1,0,1]=4 378 B9R0.7 CC(=O)C(=O)NCC(C)C WXVL_AK00544SB0051 [0,2,0,0,0,0|1,0,0]=3 379 B9R0.7 CC(=O)C(=O)NCC(C)C WXVL_AK00544SB0051 [0,2,0,0,0,0|1,0,0]=3 380 B9R0.7 CC(=O)C(=O)NCC(C)O WXVL_AK0052SB0051 [0,2,0,0,0,0|1,0,0]=3 381 B9R0.7 CC(=O)C(=O)NCC(C)O WXVL_AK0052SB0051 [0,2,0,0,0,0|1,0,0]=3 382 B9R0.7 CC(=O)C(=O)NCC(F)F WXVL_AK0136SB0051 [0,2,0,0,0,0|2,0,0]=4 383 B9R0.7 CC(=O)C(=O)NCC(F)F WXVL_AK0136SB0051 [0,2,0,0,0,0|2,0,0]=4 384 B9R0.7 CC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB0051 [0,2,0,0,0,0|1,0,0]=3 385 B9R0.7 CC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB0051 [0,2,0,0,0,0|1,0,0]=3 386 B9R0.7 CC(C)CNC(=O)C(=O)N WXVL_AK00544SB0128 [0,2,0,0,0,0|2,0,0]=4 387 B9R0.7 CC(C)CNC(=O)C(=O)N WXVL_AK00544SB0128 [0,2,0,0,0,0|2,0,0]=4 388 B9R0.7 CC(O)CNC(=O)C(=O)N WXVL_AK0052SB0128 [0,2,0,0,0,0|2,0,0]=4 389 B9R0.7 CC(O)CNC(=O)C(=O)N WXVL_AK0052SB0128 [0,2,0,0,0,0|2,0,0]=4 390 B9R0.7 C[C@H](O)CNC(=O)C(=O)N WXVL_AK0113SB0128 [0,2,0,0,0,0|2,0,0]=4 391 B9R0.7 C[C@H](O)CNC(=O)C(=O)N WXVL_AK0113SB0128 [0,2,0,0,0,0|2,0,0]=4 392 B9R0.42 CC(=O)C(=O)N[C@@H](C)CF WXVL_AK00558SB0051 [0,2,0,0,0,0|2,0,0]=4 393 B9R0.42 CC(=O)C(=O)N[C@@H](C)CF WXVL_AK00558SB0051 [0,2,0,0,0,0|2,0,0]=4 394 B9R0.42 CC(=O)C(=O)N[C@@H](C)CO WXVL_AK0109SB0051 [0,2,0,0,0,0|2,0,0]=4 395 B9R0.42 CC(=O)C(=O)N[C@@H](C)CO WXVL_AK0109SB0051 [0,2,0,0,0,0|2,0,0]=4 396 B9R0.42 CC[C@H](C)NC(=O)C(=O)C WXVL_AK00678SB0051 [0,2,0,0,0,0|1,0,0]=3 397 B9R0.42 CC[C@H](C)NC(=O)C(=O)C WXVL_AK00678SB0051 [0,2,0,0,0,0|1,0,0]=3 398 B9R0.42 CC[C@H](C)NC(=O)C(=O)N WXVL_AK00678SB0128 [0,2,0,0,0,0|2,0,0]=4 399 B9R0.42 CC[C@H](C)NC(=O)C(=O)N WXVL_AK00678SB0128 [0,2,0,0,0,0|2,0,0]=4 400 B9R0.56 CC(=O)NCCC(C)(C)O WXVL_AK1558SB0150 [0,2,0,0,0,0|1,0,1]=4 401 B9R0.56 CC(=O)NCCC(C)(C)O WXVL_AK1558SB0150 [0,2,0,0,0,0|1,0,1]=4 402 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [1,0,0,1,0,0|1,0,1]=4 403 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [1,0,0,1,0,0|1,0,1]=4 404 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [1,0,0,1,0,0|1,0,1]=4 405 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [1,0,0,1,0,0|1,0,1]=4 406 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [1,0,0,1,0,0|1,0,0]=3 407 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [1,0,0,1,0,0|1,0,0]=3 408 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [1,0,0,1,0,0|1,0,1]=4 409 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [1,0,0,1,0,0|1,0,1]=4 410 B9R1.41 CC(=O)N1CCC[C@H]1C WXVL_AN00593SB0150 [0,1,0,1,0,0|0,0,2]=4 411 B9R1.41 CC1=C(CCO1)C(=O)N WXVL_AK0084SC00025 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.41 CC1=C(CCO1)C(=O)N WXVL_AK0084SC00025 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.53 CC(=O)NC1CC(C1)C WXVL_AK0309SB0150 [0,1,0,1,0,0|1,0,1]=4 414 B9R1.53 CC(=O)NC1CC(C1)C WXVL_AK0309SB0150 [0,1,0,1,0,0|1,0,1]=4 415 B9R1.53 CC(=O)NC1CC(C1)F WXVL_AK0307SB0150 [0,1,0,1,0,0|1,0,1]=4 416 B9R1.53 CC(=O)NC1CC(C1)F WXVL_AK0307SB0150 [0,1,0,1,0,0|1,0,1]=4 417 B9R1.53 CC(=O)NC1CC(C1)O WXVL_AK0306SB0150 [0,1,0,1,0,0|1,0,1]=4 418 B9R1.53 CC(=O)NC1CC(C1)O WXVL_AK0306SB0150 [0,1,0,1,0,0|1,0,1]=4 419 B9R1.53 CC(=O)N[C@H]1C[C@H](C1)O WXVL_AK1397SB0150 [0,1,0,1,0,0|1,0,1]=4 420 B9R1.53 CC(=O)N[C@H]1C[C@H](C1)O WXVL_AK1397SB0150 [0,1,0,1,0,0|1,0,1]=4 421 B9R1.137 CC(=O)NC(C)C1CC1 WXVL_AK00200SB0150 [0,1,0,1,0,0|1,0,1]=4 422 B9R1.137 CC(=O)NC(C)C1CC1 WXVL_AK00200SB0150 [0,1,0,1,0,0|1,0,1]=4 423 B9R1.137 CC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0150 [0,1,0,1,0,0|1,0,1]=4 424 B9R1.137 CC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0150 [0,1,0,1,0,0|1,0,1]=4 425 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [0,1,0,1,0,0|1,0,1]=4 426 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [0,1,0,1,0,0|1,0,1]=4 427 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [0,1,0,1,0,0|0,0,2]=4 428 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [0,1,0,1,0,0|0,0,2]=4 429 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [0,1,0,1,0,0|1,0,1]=4 430 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [0,1,0,1,0,0|1,0,1]=4 431 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [0,1,0,1,0,0|1,0,1]=4 432 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [0,1,0,1,0,0|1,0,1]=4 433 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [0,1,0,1,0,0|1,0,1]=4 434 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [0,1,0,1,0,0|1,0,1]=4 435 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [0,1,0,1,0,0|1,0,1]=4 436 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [0,1,0,1,0,0|1,0,1]=4 437 B9R1.79 CNC(=O)CC1CCC1 WXVL_AK00442SB2207 [0,1,0,1,0,0|0,0,2]=4 438 B9R1.79 CNC(=O)CC1CCC1 WXVL_AK00442SB2207 [0,1,0,1,0,0|0,0,2]=4 439 B9R1.80 CNC(=O)C=CC1CC1 WXVL_AK00442SB4216 [0,1,0,1,0,0|0,0,0]=2 440 B9R1.80 CNC(=O)C=CC1CC1 WXVL_AK00442SB4216 [0,1,0,1,0,0|0,0,0]=2 441 B9R1.80 CNC(=O)CCC1CC1 WXVL_AK00442SB5360 [0,1,0,1,0,0|0,0,2]=4 442 B9R1.80 CNC(=O)CCC1CC1 WXVL_AK00442SB5360 [0,1,0,1,0,0|0,0,2]=4 443 B9R1.6 CC(=O)N1CCOCC1 WXVL_AN00478SB0150 [0,1,0,1,0,0|1,0,1]=4 444 B9R1.6 CC(=O)N1CCOCC1 WXVL_AN00478SB0150 [0,1,0,1,0,0|1,0,1]=4 445 B9R1.6 CC(=O)N1CCSCC1 WXVL_AN0896SB0150 [0,1,0,1,0,0|1,0,1]=4 446 B9R1.6 NC(=O)C1=CCCCO1 WXVL_AK0084SB4858 [0,1,0,1,0,0|1,0,0]=3 447 B9R1.6 NC(=O)C1=CCCCO1 WXVL_AK0084SB4858 [0,1,0,1,0,0|1,0,0]=3 448 B9R1.6 NC(=O)C1=COCCC1 WXVL_AK0084SB2928 [0,1,0,1,0,0|1,0,0]=3 449 B9R1.6 NC(=O)C1=COCCC1 WXVL_AK0084SB2928 [0,1,0,1,0,0|1,0,0]=3 450 B9R1.84 CC(=O)NCC1CCC1 WXVL_AK00492SB0150 [0,1,0,1,0,0|0,0,2]=4 451 B9R1.84 CC(=O)NCC1CCC1 WXVL_AK00492SB0150 [0,1,0,1,0,0|0,0,2]=4 452 B9R1.84 CC(=O)NCC1CCO1 WXVL_AK1433SB0150 [0,1,0,1,0,0|1,0,1]=4 453 B9R1.84 CC(=O)NCC1CCO1 WXVL_AK1433SB0150 [0,1,0,1,0,0|1,0,1]=4 454 B9R1.84 CC(=O)NCC1COC1 WXVL_AK0186SB0150 [0,1,0,1,0,0|1,0,1]=4 455 B9R1.84 CC(=O)NCC1COC1 WXVL_AK0186SB0150 [0,1,0,1,0,0|1,0,1]=4 456 B9R1.85 CC(=O)NCCC1CC1 WXVL_AK00594SB0150 [0,1,0,1,0,0|0,0,2]=4 457 B9R1.85 CC(=O)NCCC1CC1 WXVL_AK00594SB0150 [0,1,0,1,0,0|0,0,2]=4 458 B9R1.96 CC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0150 [0,1,0,1,0,0|1,0,1]=4 459 B9R1.96 CC(=O)N1CC[C@H]1CO WXVL_AN3414SB0150 [0,1,0,1,0,0|1,0,1]=4 460 B9R1.96 CC(=O)N1CC[C@H]1CO WXVL_AN3414SB0150 [0,1,0,1,0,0|1,0,1]=4 461 B9R1.35 CC(=O)N1CCC(C1)Br WXVL_AN00715SB0150 [0,1,0,1,0,0|1,0,1]=4 462 B9R1.35 CC(=O)N1CCC(C1)C WXVL_AN0556SB0150 [0,1,0,1,0,0|1,0,1]=4 463 B9R1.35 CC(=O)N1CCC(C1)C WXVL_AN0556SB0150 [0,1,0,1,0,0|1,0,1]=4 464 B9R1.35 CC(=O)N1CCC(C1)F WXVL_AN00338SB0150 [0,1,0,1,0,0|1,0,1]=4 465 B9R1.35 CC(=O)N1CCC(C1)F WXVL_AN00338SB0150 [0,1,0,1,0,0|1,0,1]=4 466 B9R1.35 CC(=O)N1CCC(C1)O WXVL_AN0158SB0150 [0,1,0,1,0,0|1,0,1]=4 467 B9R1.35 CC(=O)N1CCC(C1)O WXVL_AN0158SB0150 [0,1,0,1,0,0|1,0,1]=4 468 B9R1.35 CC(=O)N1CC[C@@H](C1)C WXVL_AN00094SB0150 [0,1,0,1,0,0|1,0,1]=4 469 B9R1.35 CC(=O)N1CC[C@@H](C1)C WXVL_AN00094SB0150 [0,1,0,1,0,0|1,0,1]=4 470 B9R1.35 CC(=O)N1CC[C@@H](C1)O WXVL_AN00391SB0150 [0,1,0,1,0,0|1,0,1]=4 471 B9R1.35 CC(=O)N1CC[C@@H](C1)O WXVL_AN00391SB0150 [0,1,0,1,0,0|1,0,1]=4 472 B9R1.35 CC(=O)N1CC[C@H](C1)C WXVL_AN00488SB0150 [0,1,0,1,0,0|1,0,1]=4 473 B9R1.35 CC(=O)N1CC[C@H](C1)C WXVL_AN00488SB0150 [0,1,0,1,0,0|1,0,1]=4 474 B9R1.35 CC(=O)N1CC[C@H](C1)F WXVL_AN00035SB0150 [0,1,0,1,0,0|1,0,1]=4 475 B9R1.35 CC(=O)N1CC[C@H](C1)F WXVL_AN00035SB0150 [0,1,0,1,0,0|1,0,1]=4 476 B9R1.35 CC(=O)N1CC[C@H](C1)O WXVL_AN00543SB0150 [0,1,0,1,0,0|1,0,1]=4 477 B9R1.112 CC(=O)C(=O)NC1CC1 WXVL_AK0001SB0051 [0,1,0,1,0,0|1,0,0]=3 478 B9R1.112 CC(=O)C(=O)NC1CC1 WXVL_AK0001SB0051 [0,1,0,1,0,0|1,0,0]=3 479 B9R1.112 NC(=O)C(=O)NC1CC1 WXVL_AK0001SB0128 [0,1,0,1,0,0|2,0,0]=4 480 B9R1.112 NC(=O)C(=O)NC1CC1 WXVL_AK0001SB0128 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.147 CC(=O)NCC1(CC1)C WXVL_AK00811SB0150 [0,1,0,1,0,0|1,0,1]=4 482 B9R1.147 CC(=O)NCC1(CC1)C WXVL_AK00811SB0150 [0,1,0,1,0,0|1,0,1]=4 483 B9R1.147 CC(=O)NCC1(CC1)O WXVL_AK0301SB0150 [0,1,0,1,0,0|1,0,1]=4 484 B9R1.147 CC(=O)NCC1(CC1)O WXVL_AK0301SB0150 [0,1,0,1,0,0|1,0,1]=4