0 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,1,0,0,0,0|2,0,1]=4 1 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,1,0,0,0,0|2,0,1]=4 2 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,1,0,0,0,0|1,0,2]=4 3 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,1,0,0,0,0|1,0,2]=4 4 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,0,0,0,0|3,0,0]=4 5 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,0,0,0,0|3,0,0]=4 6 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,0,0,0,0|2,0,0]=3 7 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,0,0,0,0|2,0,0]=3 8 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,0,0,0,0|1,0,0]=2 9 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,0,0,0,0|1,0,0]=2 10 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.3 N#CCNC(=O)CO WXVL_AK0683SB2706 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.3 N#CCNC(=O)CO WXVL_AK0683SB2706 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,1,0,0,0,0|2,0,1]=4 18 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [0,1,0,0,0,0|1,0,2]=4 19 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [0,1,0,0,0,0|1,0,2]=4 20 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,0,0,0,0|2,0,0]=3 23 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,1,0,0,0,0|1,0,1]=4 29 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,1,0,0,0,0|1,0,1]=4 30 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,1,0,0,0,0|1,0,0]=3 31 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,1,0,0,0,0|1,0,0]=3 32 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,1,0,0,0,0|1,0,1]=4 33 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,1,0,0,0,0|1,0,1]=4 34 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,1,0,0,0,0|1,0,0]=3 35 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,1,0,0,0,0|1,0,0]=3 36 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,1,0,0,0,0|2,0,0]=4 38 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,1,0,0,0,0|2,0,0]=4 39 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,1,0,0,0,0|2,0,0]=4 40 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,1,0,0,0,0|2,0,0]=4 41 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|1,0,0]=3 43 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|1,0,0]=3 44 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [0,2,0,0,0,0|2,0,0]=4 45 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [0,2,0,0,0,0|2,0,0]=4 46 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,2,0,0,0,0|1,0,1]=4 47 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,2,0,0,0,0|1,0,1]=4 48 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,2,0,0,0,0|2,0,0]=4 49 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,2,0,0,0,0|2,0,0]=4 50 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,2,0,0,0,0|2,0,0]=4 51 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,2,0,0,0,0|2,0,0]=4 52 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [0,2,0,0,0,0|2,0,0]=4 53 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [0,2,0,0,0,0|2,0,0]=4 54 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,2,0,0,0,0|1,0,1]=4 55 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,2,0,0,0,0|1,0,1]=4 56 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [0,2,0,0,0,0|2,0,0]=4 57 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [0,2,0,0,0,0|2,0,0]=4 58 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,2,0,0,0,0|1,0,1]=4 59 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,2,0,0,0,0|1,0,1]=4 60 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,2,0,0,0,0|1,0,0]=3 61 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,2,0,0,0,0|1,0,0]=3 62 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,2,0,0,0,0|1,1,0]=4 63 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,2,0,0,0,0|1,1,0]=4 64 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [0,2,0,0,0,0|1,0,1]=4 65 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [0,2,0,0,0,0|1,0,1]=4 66 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,2,0,0,0,0|1,0,1]=4 67 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,2,0,0,0,0|1,0,1]=4 68 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,2,0,0,0,0|2,0,0]=4 69 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,2,0,0,0,0|2,0,0]=4 70 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,2,0,0,0,0|2,0,0]=4 71 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,2,0,0,0,0|2,0,0]=4 72 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,2,0,0,0,0|2,0,0]=4 73 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,2,0,0,0,0|2,0,0]=4 75 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,2,0,0,0,0|2,0,0]=4 76 B8R0.6 C#CCCNC(=O)CO WXVL_AK3109SB2706 [0,2,0,0,0,0|1,0,1]=4 77 B8R0.6 C#CCCNC(=O)CO WXVL_AK3109SB2706 [0,2,0,0,0,0|1,0,1]=4 78 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [0,2,0,0,0,0|1,0,1]=4 79 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [0,2,0,0,0,0|1,0,1]=4 80 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,2,0,0,0,0|1,0,1]=4 81 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,2,0,0,0,0|1,0,1]=4 82 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,2,0,0,0,0|2,0,0]=4 83 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,2,0,0,0,0|2,0,0]=4 84 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,2,0,0,0,0|2,0,0]=4 85 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,2,0,0,0,0|2,0,0]=4 86 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,2,0,0,0,0|1,0,1]=4 87 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,2,0,0,0,0|1,0,1]=4 88 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,2,0,0,0,0|0,0,1]=3 89 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,2,0,0,0,0|0,0,1]=3 90 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,2,0,0,0,0|1,0,0]=3 91 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,2,0,0,0,0|1,0,0]=3 92 B8R0.6 N#CCCNC(=O)CO WXVL_AK0087SB2706 [0,2,0,0,0,0|1,0,1]=4 93 B8R0.6 N#CCCNC(=O)CO WXVL_AK0087SB2706 [0,2,0,0,0,0|1,0,1]=4 94 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,2,0,0,0,0|1,0,0]=3 95 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,2,0,0,0,0|1,0,0]=3 96 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,2,0,0,0,0|2,0,0]=4 97 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,2,0,0,0,0|2,0,0]=4 98 B8R0.3 CCNC(=O)C(C)CC WXVL_AK00476SB0054 [0,2,0,0,0,0|2,0,0]=4 99 B8R0.3 CCNC(=O)C(C)CC WXVL_AK00476SB0054 [0,2,0,0,0,0|2,0,0]=4 100 B8R0.3 CCNC(=O)[C@@H](O)CC WXVL_AK00476SB3573 [0,2,0,0,0,0|2,0,0]=4 101 B8R0.3 CCNC(=O)[C@@H](O)CC WXVL_AK00476SB3573 [0,2,0,0,0,0|2,0,0]=4 102 B8R0.3 CCNC(=O)[C@H](C)CC WXVL_AK00476SB00054 [0,2,0,0,0,0|2,0,0]=4 103 B8R0.3 CCNC(=O)[C@H](C)CC WXVL_AK00476SB00054 [0,2,0,0,0,0|2,0,0]=4 104 B8R0.3 CN(CCO)C(=O)CO WXVL_AN2670SB2706 [0,2,0,0,0,0|2,0,0]=4 105 B8R0.3 CN(CCO)C(=O)CO WXVL_AN2670SB2706 [0,2,0,0,0,0|2,0,0]=4 106 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,2,0,0,0,0|2,0,0]=4 107 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,2,0,0,0,0|2,0,0]=4 108 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,2,0,0,0,0|1,1,0]=4 109 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,2,0,0,0,0|1,1,0]=4 110 B8R0.8 CCCNC(=O)C(F)F WXVL_AK00504SB0079 [0,2,0,0,0,0|2,0,0]=4 111 B8R0.8 CCCNC(=O)C(F)F WXVL_AK00504SB0079 [0,2,0,0,0,0|2,0,0]=4 112 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,2,0,0,0,0|1,0,0]=3 113 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,2,0,0,0,0|1,0,0]=3 114 B8R0.8 C[C@@H](O)C(=O)NCCF WXVL_AK00466SB1085 [0,2,0,0,0,0|2,0,0]=4 115 B8R0.8 C[C@@H](O)C(=O)NCCF WXVL_AK00466SB1085 [0,2,0,0,0,0|2,0,0]=4 116 B8R0.9 C=C(C)CNC(=O)CO WXVL_AK0761SB2706 [0,2,0,0,0,0|1,0,1]=4 117 B8R0.9 C=C(C)CNC(=O)CO WXVL_AK0761SB2706 [0,2,0,0,0,0|1,0,1]=4 118 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,2,0,0,0,0|1,0,0]=3 119 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,2,0,0,0,0|1,0,0]=3 120 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,2,0,0,0,0|1,0,0]=3 121 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,2,0,0,0,0|1,0,0]=3 122 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,2,0,0,0,0|2,0,0]=4 123 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,2,0,0,0,0|2,0,0]=4 124 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,2,0,0,0,0|2,0,0]=4 125 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,2,0,0,0,0|2,0,0]=4 126 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,2,0,0,0,0|2,0,0]=4 127 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,2,0,0,0,0|2,0,0]=4 128 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,2,0,0,0,0|1,0,0]=3 129 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,2,0,0,0,0|1,0,0]=3 130 B8R0.9 O=C(CO)NCC(F)F WXVL_AK0136SB2706 [0,2,0,0,0,0|2,0,0]=4 131 B8R0.9 O=C(CO)NCC(F)F WXVL_AK0136SB2706 [0,2,0,0,0,0|2,0,0]=4 132 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,2,0,0,0,0|2,0,0]=4 133 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,2,0,0,0,0|2,0,0]=4 134 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,2,0,0,0,0|1,0,0]=3 135 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,2,0,0,0,0|1,0,0]=3 136 B8R0.19 C[C@@H](CF)NC(=O)CO WXVL_AK00558SB2706 [0,2,0,0,0,0|2,0,0]=4 137 B8R0.19 C[C@@H](CF)NC(=O)CO WXVL_AK00558SB2706 [0,2,0,0,0,0|2,0,0]=4 138 B8R0.19 C[C@@H](CO)NC(=O)CO WXVL_AK0109SB2706 [0,2,0,0,0,0|2,0,0]=4 139 B8R0.19 C[C@@H](CO)NC(=O)CO WXVL_AK0109SB2706 [0,2,0,0,0,0|2,0,0]=4 140 B8R0.5 CCCC(=O)NC(C)C WXVL_AK0030SB0073 [0,2,0,0,0,0|2,0,0]=4 141 B8R0.5 CCCC(=O)NC(C)C WXVL_AK0030SB0073 [0,2,0,0,0,0|2,0,0]=4 142 B8R0.5 CCNC(=O)CC(C)C WXVL_AK00476SB0063 [0,2,0,0,0,0|2,0,0]=4 143 B8R0.5 CCNC(=O)CC(C)C WXVL_AK00476SB0063 [0,2,0,0,0,0|2,0,0]=4 144 B8R0.5 CCNC(=O)CC(C)O WXVL_AK00476SB3643 [0,2,0,0,0,0|1,0,1]=4 145 B8R0.5 CCNC(=O)CC(C)O WXVL_AK00476SB3643 [0,2,0,0,0,0|1,0,1]=4 146 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.40 O=C(CO)NC1CC1 WXVL_AK0001SB2706 [0,1,0,1,0,0|1,0,0]=3 149 B8R1.40 O=C(CO)NC1CC1 WXVL_AK0001SB2706 [0,1,0,1,0,0|1,0,0]=3 150 B8R1.35 NC(=O)C=CC1CC1 WXVL_AK0084SB4216 [0,1,0,1,0,0|0,0,2]=4 151 B8R1.35 NC(=O)C=CC1CC1 WXVL_AK0084SB4216 [0,1,0,1,0,0|0,0,2]=4 152 B8R1.37 CCNC(=O)C1CC1 WXVL_AK00476SB0038 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.37 CCNC(=O)C1CC1 WXVL_AK00476SB0038 [0,1,0,1,0,0|2,0,0]=4