0 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 WXVL_AK0084SB0126 [0,1,0,0,0,0|2,0,1]=4 1 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 WXVL_AK0084SB0126 [0,1,0,0,0,0|2,0,1]=4 2 B9R1.35 NC(=O)[C@@H]1CNC(=O)O1 WXVL_AK0084SBF634 [0,1,0,0,0,0|2,0,1]=4 3 B9R1.35 NC(=O)[C@@H]1CNC(=O)O1 WXVL_AK0084SBF634 [0,1,0,0,0,0|2,0,1]=4 4 B7R0.2 C#C[C@@H](C)NC(=O)C WXVL_AK00735SB0150 [0,0,1,0,0,0|1,0,2]=4 5 B7R0.2 C#C[C@@H](C)NC(=O)C WXVL_AK00735SB0150 [0,0,1,0,0,0|1,0,2]=4 6 B7R0.2 C=CC(C)NC(=O)C WXVL_AK00769SB0150 [0,0,1,0,0,0|1,0,2]=4 7 B7R0.2 C=CC(C)NC(=O)C WXVL_AK00769SB0150 [0,0,1,0,0,0|1,0,2]=4 8 B7R0.2 CC(=O)NC(C)C#N WXVL_AK00810SB0150 [0,0,1,0,0,0|2,0,1]=4 9 B7R0.2 CC(=O)NC(C)C#N WXVL_AK00810SB0150 [0,0,1,0,0,0|2,0,1]=4 10 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [0,0,1,0,0,0|2,0,0]=3 11 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [0,0,1,0,0,0|2,0,0]=3 12 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [0,0,1,0,0,0|2,0,0]=3 13 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [0,0,1,0,0,0|2,0,0]=3 14 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [0,0,1,0,0,0|2,0,0]=3 15 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [0,0,1,0,0,0|2,0,0]=3 16 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [0,0,1,0,0,0|3,0,0]=4 17 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [0,0,1,0,0,0|3,0,0]=4 18 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [0,0,1,0,0,0|2,0,0]=3 19 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [0,0,1,0,0,0|2,0,0]=3 20 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [0,0,1,0,0,0|1,0,0]=2 21 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [0,0,1,0,0,0|1,0,0]=2 22 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,0,1,0,0,0|1,0,2]=4 23 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,0,1,0,0,0|1,0,2]=4 24 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,0,1,0,0,0|1,0,2]=4 25 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,0,1,0,0,0|1,0,2]=4 26 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,0,1,0,0,0|2,0,1]=4 27 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,0,1,0,0,0|2,0,1]=4 28 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,0,1,0,0,0|2,0,0]=3 29 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,0,1,0,0,0|2,0,0]=3 30 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,0,1,0,0,0|1,0,0]=2 31 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,0,1,0,0,0|1,0,0]=2 32 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,0,1,0,0,0|2,0,0]=3 33 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,0,1,0,0,0|2,0,0]=3 34 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,0,1,0,0,0|3,0,0]=4 35 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,0,1,0,0,0|3,0,0]=4 36 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,0,1,0,0,0|3,0,0]=4 37 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,0,1,0,0,0|3,0,0]=4 38 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,0,1,0,0,0|3,0,0]=4 39 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,0,1,0,0,0|3,0,0]=4 40 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,0,1,0,0,0|3,0,0]=4 41 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,0,1,0,0,0|3,0,0]=4 42 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,0,1,0,0,0|3,0,0]=4 43 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,0,1,0,0,0|3,0,0]=4 44 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,0,1,0,0,0|3,0,0]=4 45 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,0,1,0,0,0|3,0,0]=4 46 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [0,0,1,0,0,0|1,0,2]=4 47 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [0,0,1,0,0,0|1,0,2]=4 48 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [0,0,1,0,0,0|1,0,2]=4 49 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [0,0,1,0,0,0|1,0,2]=4 50 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,0,1,0,0,0|3,0,0]=4 51 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,0,1,0,0,0|3,0,0]=4 52 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,0,1,0,0,0|1,0,2]=4 53 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,0,1,0,0,0|1,0,2]=4 54 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,0,1,0,0,0|2,0,0]=3 55 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,0,1,0,0,0|2,0,0]=3 56 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,0,1,0,0,0|3,0,0]=4 57 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,0,1,0,0,0|3,0,0]=4 58 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,0,1,0,0,0|2,0,0]=3 59 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,0,1,0,0,0|2,0,0]=3 60 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,0,1,0,0,0|2,0,0]=3 61 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,0,1,0,0,0|2,0,0]=3 62 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,0,1,0,0,0|1,0,0]=3 63 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,0,1,0,0,0|1,0,0]=3 64 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,0,1,0,0,0|1,0,0]=3 65 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,0,1,0,0,0|1,0,0]=3 66 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,0,1,0,0,0|2,0,0]=4 67 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,0,1,0,0,0|2,0,0]=4 68 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,0,1,0,0,0|2,0,0]=4 69 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,0,1,0,0,0|2,0,0]=4 70 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,0,1,0,0,0|2,0,0]=4 71 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,0,1,0,0,0|2,0,0]=4 72 B6R0.2 CC(=O)NC(C)C WXVL_AK0030SB0150 [1,0,1,0,0,0|1,0,0]=3 73 B6R0.2 CC(=O)NC(C)C WXVL_AK0030SB0150 [1,0,1,0,0,0|1,0,0]=3 74 B6R0.2 CC(C)CC(=O)N WXVL_AK0084SB0063 [1,0,1,0,0,0|2,0,0]=4 75 B6R0.2 CC(C)CC(=O)N WXVL_AK0084SB0063 [1,0,1,0,0,0|2,0,0]=4 76 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,1,0,0,0|2,0,0]=4 77 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,1,0,0,0|2,0,0]=4 78 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,1,0,0,0|1,0,0]=3 79 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,1,0,0,0|1,0,0]=3 80 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,0,1,0,0,0|2,0,0]=4 81 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,0,1,0,0,0|2,0,0]=4 82 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,1,0,0,0|2,0,0]=4 83 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,1,0,0,0|2,0,0]=4 84 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,0,1,0,0,0|2,0,0]=4 85 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,0,1,0,0,0|2,0,0]=4 86 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,0,1,0,0,0|2,0,0]=4 87 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,0,1,0,0,0|2,0,0]=4 88 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [0,1,1,0,0,0|1,0,0]=3 89 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [0,1,1,0,0,0|1,0,0]=3 90 B8R0.5 CC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0150 [0,1,1,0,0,0|1,0,1]=4 91 B8R0.5 CC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0150 [0,1,1,0,0,0|1,0,1]=4 92 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [0,1,1,0,0,0|1,0,0]=3 93 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [0,1,1,0,0,0|1,0,0]=3 94 B8R0.5 COC[C@@H](C)NC(=O)C WXVL_AK00613SB0150 [0,1,1,0,0,0|1,0,0]=3 95 B8R0.5 COC[C@@H](C)NC(=O)C WXVL_AK00613SB0150 [0,1,1,0,0,0|1,0,0]=3 96 B8R0.5 COC[C@H](C)NC(=O)C WXVL_AK0137SB0150 [0,1,1,0,0,0|1,0,0]=3 97 B8R0.5 COC[C@H](C)NC(=O)C WXVL_AK0137SB0150 [0,1,1,0,0,0|1,0,0]=3 98 B8R0.16 CC(=O)NC(CO)CO WXVL_AK0741SB0150 [0,1,1,0,0,0|2,0,0]=4 99 B8R0.16 CC(=O)NC(CO)CO WXVL_AK0741SB0150 [0,1,1,0,0,0|2,0,0]=4 100 B8R0.16 CC[C@H](CO)NC(=O)C WXVL_AK0111SB0150 [0,1,1,0,0,0|1,0,0]=3 101 B8R0.16 CC[C@H](CO)NC(=O)C WXVL_AK0111SB0150 [0,1,1,0,0,0|1,0,0]=3 102 B8R0.19 C#CC(=O)N[C@@H](C)CC WXVL_AK00678SB0338 [0,1,1,0,0,0|1,0,1]=4 103 B8R0.19 C#CC(=O)N[C@@H](C)CC WXVL_AK00678SB0338 [0,1,1,0,0,0|1,0,1]=4 104 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,1,1,0,0,0|1,0,0]=3 105 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,1,1,0,0,0|1,0,0]=3 106 B8R0.19 CCC(=O)N[C@@H](C)CF WXVL_AK00558SB0064 [0,1,1,0,0,0|2,0,0]=4 107 B8R0.19 CCC(=O)N[C@@H](C)CF WXVL_AK00558SB0064 [0,1,1,0,0,0|2,0,0]=4 108 B8R0.19 CCC(=O)N[C@@H](C)CO WXVL_AK0109SB0064 [0,1,1,0,0,0|2,0,0]=4 109 B8R0.19 CCC(=O)N[C@@H](C)CO WXVL_AK0109SB0064 [0,1,1,0,0,0|2,0,0]=4 110 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,1,1,0,0,0|1,0,0]=3 111 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,1,1,0,0,0|1,0,0]=3 112 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,1,1,0,0,0|2,0,0]=4 113 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,1,1,0,0,0|2,0,0]=4 114 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,1,1,0,0,0|1,0,0]=3 115 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,1,1,0,0,0|1,0,0]=3 116 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,1,1,0,0,0|1,0,0]=3 117 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,1,1,0,0,0|1,0,0]=3 118 B8R0.19 C[C@@H](CF)NC(=O)CO WXVL_AK00558SB2706 [0,1,1,0,0,0|2,0,0]=4 119 B8R0.19 C[C@@H](CF)NC(=O)CO WXVL_AK00558SB2706 [0,1,1,0,0,0|2,0,0]=4 120 B8R0.19 C[C@@H](CO)NC(=O)CO WXVL_AK0109SB2706 [0,1,1,0,0,0|2,0,0]=4 121 B8R0.19 C[C@@H](CO)NC(=O)CO WXVL_AK0109SB2706 [0,1,1,0,0,0|2,0,0]=4 122 B8R0.34 CC(=O)NC(C)(C)CO WXVL_AK0025SB0150 [0,1,1,0,0,0|2,0,0]=4 123 B8R0.34 CC(=O)NC(C)(C)CO WXVL_AK0025SB0150 [0,1,1,0,0,0|2,0,0]=4 124 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [0,1,1,0,0,0|1,0,1]=4 125 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [0,1,1,0,0,0|1,0,1]=4 126 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,1,1,0,0,0|1,0,1]=4 127 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,1,1,0,0,0|1,0,1]=4 128 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,1,1,0,0,0|1,0,1]=4 129 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,1,1,0,0,0|1,0,1]=4 130 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,1,1,0,0,0|1,0,1]=4 131 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,1,1,0,0,0|1,0,1]=4 132 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,1,1,0,0,0|2,0,0]=4 133 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,1,1,0,0,0|2,0,0]=4 134 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [0,1,1,0,0,0|1,0,1]=4 135 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [0,1,1,0,0,0|1,0,1]=4 136 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,1,1,0,0,0|1,0,0]=3 137 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,1,1,0,0,0|1,0,0]=3 138 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,1,1,0,0,0|1,0,0]=3 139 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,1,1,0,0,0|1,0,0]=3 140 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,1,1,0,0,0|1,0,0]=3 141 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,1,1,0,0,0|1,0,0]=3 142 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,1,1,0,0,0|2,0,0]=4 143 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,1,1,0,0,0|2,0,0]=4 144 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,1,1,0,0,0|2,0,0]=4 145 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,1,1,0,0,0|2,0,0]=4 146 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,1,1,0,0,0|2,0,0]=4 147 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,1,1,0,0,0|2,0,0]=4 148 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,1,1,0,0,0|2,0,0]=4 149 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,1,1,0,0,0|2,0,0]=4 150 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [0,1,1,0,0,0|2,0,0]=4 151 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [0,1,1,0,0,0|2,0,0]=4 152 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,1,1,0,0,0|2,0,0]=4 153 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,1,1,0,0,0|2,0,0]=4 154 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [0,1,1,0,0,0|2,0,0]=4 155 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [0,1,1,0,0,0|2,0,0]=4 156 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,1,1,0,0,0|2,0,0]=4 157 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,1,1,0,0,0|2,0,0]=4 158 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,1,1,0,0,0|2,0,0]=4 159 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,1,1,0,0,0|2,0,0]=4 160 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,1,1,0,0,0|2,0,0]=4 161 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,1,1,0,0,0|2,0,0]=4 162 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,1,1,0,0,0|2,0,0]=4 163 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,1,1,0,0,0|2,0,0]=4 164 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,1,1,0,0,0|1,0,1]=4 165 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,1,1,0,0,0|1,0,1]=4 166 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,1,1,0,0,0|1,0,1]=4 167 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,1,1,0,0,0|1,0,1]=4 168 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,1,1,0,0,0|1,0,1]=4 169 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,1,1,0,0,0|1,0,1]=4 170 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,1,0,0,0|1,0,0]=3 171 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,1,0,0,0|1,0,0]=3 172 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,1,0,0,0|1,0,0]=3 173 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,1,0,0,0|1,0,0]=3 174 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,1,0,0,0|1,0,0]=3 175 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,1,0,0,0|1,0,0]=3 176 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,1,1,0,0,0|2,0,0]=4 177 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,1,1,0,0,0|2,0,0]=4 178 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,1,1,0,0,0|2,0,0]=4 179 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,1,1,0,0,0|2,0,0]=4 180 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,1,1,0,0,0|2,0,0]=4 181 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,1,1,0,0,0|2,0,0]=4 182 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,1,1,0,0,0|2,0,0]=4 183 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,1,1,0,0,0|2,0,0]=4 184 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,1,0,0,0|2,0,0]=4 185 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,1,0,0,0|2,0,0]=4 186 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,1,1,0,0,0|2,0,0]=4 187 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,1,1,0,0,0|2,0,0]=4 188 B8R0.8 CC(C)C(=O)NCCF WXVL_AK00466SB0052 [0,1,1,0,0,0|2,0,0]=4 189 B8R0.8 CC(C)C(=O)NCCF WXVL_AK00466SB0052 [0,1,1,0,0,0|2,0,0]=4 190 B8R0.8 CC(S)C(=O)NCCF WXVL_AK00466SB2708 [0,1,1,0,0,0|2,0,0]=4 191 B8R0.8 CC(S)C(=O)NCCF WXVL_AK00466SB2708 [0,1,1,0,0,0|2,0,0]=4 192 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,1,1,0,0,0|1,0,1]=4 193 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,1,1,0,0,0|1,0,1]=4 194 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,1,1,0,0,0|1,0,0]=3 195 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,1,1,0,0,0|1,0,0]=3 196 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,1,1,0,0,0|1,0,0]=3 197 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,1,1,0,0,0|1,0,0]=3 198 B8R0.8 CCCNC(=O)C(F)F WXVL_AK00504SB0079 [0,1,1,0,0,0|2,0,0]=4 199 B8R0.8 CCCNC(=O)C(F)F WXVL_AK00504SB0079 [0,1,1,0,0,0|2,0,0]=4 200 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,1,1,0,0,0|1,0,0]=3 201 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,1,1,0,0,0|1,0,0]=3 202 B8R0.8 C[C@@H](O)C(=O)NCCF WXVL_AK00466SB1085 [0,1,1,0,0,0|2,0,0]=4 203 B8R0.8 C[C@@H](O)C(=O)NCCF WXVL_AK00466SB1085 [0,1,1,0,0,0|2,0,0]=4 204 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,1,1,0,0,0|1,0,1]=4 205 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,1,1,0,0,0|1,0,1]=4 206 B8R0.9 CC(=O)NC[C@H](O)CO WXVL_AK00483SB0150 [0,1,1,0,0,0|2,0,0]=4 207 B8R0.9 CC(=O)NC[C@H](O)CO WXVL_AK00483SB0150 [0,1,1,0,0,0|2,0,0]=4 208 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,1,1,0,0,0|2,0,0]=4 209 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,1,1,0,0,0|2,0,0]=4 210 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,1,1,0,0,0|2,0,0]=4 211 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,1,1,0,0,0|2,0,0]=4 212 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,1,1,0,0,0|1,0,0]=3 213 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,1,1,0,0,0|1,0,0]=3 214 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,1,1,0,0,0|1,0,0]=3 215 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,1,1,0,0,0|1,0,0]=3 216 B8R0.9 CCC(=O)NCC(F)F WXVL_AK0136SB0064 [0,1,1,0,0,0|2,0,0]=4 217 B8R0.9 CCC(=O)NCC(F)F WXVL_AK0136SB0064 [0,1,1,0,0,0|2,0,0]=4 218 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,1,1,0,0,0|1,0,0]=3 219 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,1,1,0,0,0|1,0,0]=3 220 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [0,1,1,0,0,0|2,0,0]=4 221 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [0,1,1,0,0,0|2,0,0]=4 222 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,1,1,0,0,0|2,0,0]=4 223 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,1,1,0,0,0|2,0,0]=4 224 B8R0.25 CCCNS(=O)(=O)CC WXVL_AK00504HU0028 [0,1,1,0,0,0|2,0,0]=4 225 B8R0.25 CCCNS(=O)(=O)CC WXVL_AK00504HU0028 [0,1,1,0,0,0|2,0,0]=4 226 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,1,1,0,0,0|2,0,0]=4 227 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,1,1,0,0,0|2,0,0]=4 228 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,1,1,0,0,0|1,0,0]=3 229 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,1,1,0,0,0|1,0,0]=3 230 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [0,1,1,0,0,0|2,0,0]=4 231 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [0,1,1,0,0,0|2,0,0]=4 232 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [0,1,1,0,0,0|2,0,0]=4 233 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [0,1,1,0,0,0|2,0,0]=4 234 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [0,1,1,0,0,0|2,0,0]=4 235 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [0,1,1,0,0,0|2,0,0]=4 236 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,1,1,0,0,0|2,0,0]=4 237 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,1,1,0,0,0|2,0,0]=4 238 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,1,1,0,0,0|1,0,0]=3 239 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,1,1,0,0,0|1,0,0]=3 240 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,1,1,0,0,0|1,0,0]=3 241 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,1,1,0,0,0|1,0,0]=3 242 B8R0.28 CC(=O)NCCC(C)C WXVL_AK0068SB0150 [0,1,1,0,0,0|2,0,0]=4 243 B8R0.28 CC(=O)NCCC(C)C WXVL_AK0068SB0150 [0,1,1,0,0,0|2,0,0]=4 244 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [0,1,1,0,0,0|1,0,0]=3 245 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [0,1,1,0,0,0|1,0,0]=3 246 B8R0.28 CN(C)CCCC(=O)N WXVL_AK0084SB00055 [0,1,1,0,0,0|2,0,0]=4 247 B8R0.28 CN(C)CCCC(=O)N WXVL_AK0084SB00055 [0,1,1,0,0,0|2,0,0]=4 248 B10R1.14 CNC(=O)[C@@H]1CCC(=O)N1 WXVL_AK00442SB0126 [0,2,0,0,0,0|1,0,1]=4 249 B10R1.14 CNC(=O)[C@@H]1CCC(=O)N1 WXVL_AK00442SB0126 [0,2,0,0,0,0|1,0,1]=4 250 B10R1.14 CNC(=O)[C@@H]1CNC(=O)O1 WXVL_AK00442SBF634 [0,2,0,0,0,0|1,0,1]=4 251 B10R1.14 CNC(=O)[C@@H]1CNC(=O)O1 WXVL_AK00442SBF634 [0,2,0,0,0,0|1,0,1]=4 252 B8R1.34 CC(=O)NC1CNC1 WXVL_AK1291SB0150 [0,0,1,1,0,0|2,0,0]=4 253 B8R1.34 CC(=O)NC1CNC1 WXVL_AK1291SB0150 [0,0,1,1,0,0|2,0,0]=4 254 B8R1.34 CC(=O)NC1CSC1 WXVL_AK2089SB0150 [0,0,1,1,0,0|2,0,0]=4 255 B8R1.34 CC(=O)NC1CSC1 WXVL_AK2089SB0150 [0,0,1,1,0,0|2,0,0]=4 256 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [0,0,1,1,0,0|2,0,0]=4 257 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [0,0,1,1,0,0|2,0,0]=4 258 B8R1.42 CC(=O)NC1(CC1)C WXVL_AK0263SB0150 [0,0,1,1,0,0|1,0,0]=3 259 B8R1.42 CC(=O)NC1(CC1)C WXVL_AK0263SB0150 [0,0,1,1,0,0|1,0,0]=3 260 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,0,1,1,0,0|2,0,0]=4 261 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,0,1,1,0,0|2,0,0]=4 262 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [0,0,1,1,0,0|1,0,0]=3 263 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [0,0,1,1,0,0|1,0,0]=3 264 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [0,0,1,0,1,0|1,0,0]=3 265 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [0,0,1,0,1,0|1,0,0]=3 266 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [0,0,1,0,1,0|1,0,0]=3 267 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [0,0,1,0,1,0|1,0,0]=3 268 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [0,0,1,0,1,0|2,0,0]=4 269 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [0,0,1,0,1,0|2,0,0]=4 270 B6R0.3 CO[C@H](C)C(=O)N WXVL_AK0084SB2926 [0,0,1,0,1,0|2,0,0]=4 271 B6R0.3 CO[C@H](C)C(=O)N WXVL_AK0084SB2926 [0,0,1,0,1,0|2,0,0]=4