0 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [0,1,0,0,0,0|1,0,2]=4 17 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [0,1,0,0,0,0|1,0,2]=4 18 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [0,1,0,0,0,0|1,0,1]=3 21 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [0,1,0,0,0,0|1,0,1]=3 22 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [0,1,0,0,0,0|2,0,1]=4 25 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [0,1,0,0,0,0|1,0,2]=4 27 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [0,1,0,0,0,0|1,0,2]=4 28 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [0,1,0,0,0,0|1,0,2]=4 29 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [0,1,0,0,0,0|1,0,2]=4 30 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,0,0,0,0|1,0,2]=4 31 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,0,0,0,0|1,0,2]=4 32 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,0,0,0,0|0,0,2]=3 33 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,0,0,0,0|0,0,2]=3 34 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,0,0,0,0|1,0,2]=4 35 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,0,0,0,0|1,0,2]=4 36 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,1,0,0,0,0|1,0,2]=4 37 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,1,0,0,0,0|1,0,2]=4 38 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,1,0,0,0,0|1,0,2]=4 39 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,1,0,0,0,0|1,0,2]=4 40 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,1,0,0,0,0|1,0,2]=4 41 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,1,0,0,0,0|1,0,2]=4 42 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,1,0,0,0,0|1,0,2]=4 43 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,1,0,0,0,0|1,0,2]=4 44 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [0,1,0,0,0,0|1,0,2]=4 46 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [0,1,0,0,0,0|1,0,1]=3 49 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [0,1,0,0,0,0|1,0,1]=3 50 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [0,1,0,0,0,0|1,0,2]=4 51 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [0,1,0,0,0,0|1,0,2]=4 52 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [0,1,0,0,0,0|1,0,2]=4 53 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [0,1,0,0,0,0|1,0,2]=4 54 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [0,1,0,0,0,0|1,0,2]=4 55 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [0,1,0,0,0,0|1,0,2]=4 56 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,0,0,0,0|0,0,2]=3 57 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,0,0,0,0|0,0,2]=3 58 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,0,0,0,0|1,0,2]=4 59 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,0,0,0,0|1,0,2]=4 62 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [0,1,0,0,0,0|1,0,2]=4 64 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [0,1,0,0,0,0|1,0,2]=4 65 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [0,1,0,0,0,0|1,0,1]=3 67 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.11 CCCS(=O)(=O)NC WXVL_AK00442HU0030 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.11 CCCS(=O)(=O)NC WXVL_AK00442HU0030 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.11 CCNS(=O)(=O)CC WXVL_AK00476HU0028 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.11 CCNS(=O)(=O)CC WXVL_AK00476HU0028 [0,1,0,0,0,0|2,0,1]=4 72 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [0,0,0,1,0,0|1,0,2]=4 73 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [0,0,0,1,0,0|1,0,2]=4 74 B6R0.2 CC(O)CC(=O)N WXVL_AK0084SB3643 [1,1,0,0,0,0|1,0,1]=4 75 B6R0.2 CC(O)CC(=O)N WXVL_AK0084SB3643 [1,1,0,0,0,0|1,0,1]=4 76 B6R0.3 CNC(=O)[C@@H](C)O WXVL_AK00442SB1085 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.3 CNC(=O)[C@@H](C)O WXVL_AK00442SB1085 [1,1,0,0,0,0|1,0,1]=4 78 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|0,0,2]=4 79 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|0,0,2]=4 80 B8R0.2 CC[C@H](O)C(=O)N(C)C WXVL_AN0032SB3573 [0,2,0,0,0,0|1,0,1]=4 81 B8R0.2 CC[C@H](O)C(=O)N(C)C WXVL_AN0032SB3573 [0,2,0,0,0,0|1,0,1]=4 82 B8R0.2 CNC(=O)C(O)C(C)C WXVL_AK00442SB1147 [0,2,0,0,0,0|1,0,1]=4 83 B8R0.2 CNC(=O)C(O)C(C)C WXVL_AK00442SB1147 [0,2,0,0,0,0|1,0,1]=4 84 B8R0.5 CCCC(=O)NC(C)C WXVL_AK0030SB0073 [0,2,0,0,0,0|0,0,2]=4 85 B8R0.5 CCCC(=O)NC(C)C WXVL_AK0030SB0073 [0,2,0,0,0,0|0,0,2]=4 86 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [0,2,0,0,0,0|1,0,1]=4 87 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [0,2,0,0,0,0|1,0,1]=4 88 B8R0.5 CCNC(=O)CC(C)C WXVL_AK00476SB0063 [0,2,0,0,0,0|0,0,2]=4 89 B8R0.5 CCNC(=O)CC(C)C WXVL_AK00476SB0063 [0,2,0,0,0,0|0,0,2]=4 90 B8R0.5 CCNC(=O)CC(C)O WXVL_AK00476SB3643 [0,2,0,0,0,0|0,0,2]=4 91 B8R0.5 CCNC(=O)CC(C)O WXVL_AK00476SB3643 [0,2,0,0,0,0|0,0,2]=4 92 B8R0.16 CC[C@H](CO)NC(=O)C WXVL_AK0111SB0150 [0,2,0,0,0,0|1,0,1]=4 93 B8R0.16 CC[C@H](CO)NC(=O)C WXVL_AK0111SB0150 [0,2,0,0,0,0|1,0,1]=4 94 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,2,0,0,0,0|0,0,2]=4 95 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,2,0,0,0,0|0,0,2]=4 96 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,2,0,0,0,0|1,0,1]=4 97 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,2,0,0,0,0|1,0,1]=4 98 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,2,0,0,0,0|0,0,1]=3 99 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,2,0,0,0,0|0,0,1]=3 100 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,2,0,0,0,0|1,0,1]=4 101 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,2,0,0,0,0|1,0,1]=4 102 B8R0.23 CC(C)CC(O)C(=O)N WXVL_AK0084SB4281 [0,2,0,0,0,0|1,0,1]=4 103 B8R0.23 CC(C)CC(O)C(=O)N WXVL_AK0084SB4281 [0,2,0,0,0,0|1,0,1]=4 104 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,2,0,0,0,0|0,0,2]=4 105 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,2,0,0,0,0|0,0,2]=4 106 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,2,0,0,0,0|0,0,2]=4 107 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,2,0,0,0,0|0,0,2]=4 108 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,2,0,0,0,0|0,0,2]=4 109 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,2,0,0,0,0|0,0,2]=4 110 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,2,0,0,0,0|0,0,2]=4 111 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,2,0,0,0,0|0,0,2]=4 112 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,2,0,0,0,0|0,0,2]=4 113 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,2,0,0,0,0|0,0,2]=4 114 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,2,0,0,0,0|0,0,2]=4 115 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,2,0,0,0,0|0,0,2]=4 116 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,2,0,0,0,0|0,0,2]=4 117 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,2,0,0,0,0|0,0,2]=4 118 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,2,0,0,0,0|0,0,2]=4 119 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,2,0,0,0,0|0,0,2]=4 120 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,2,0,0,0,0|1,0,1]=4 121 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,2,0,0,0,0|1,0,1]=4 122 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,2,0,0,0,0|0,0,1]=3 123 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,2,0,0,0,0|0,0,1]=3 124 B8R0.3 CCNC(=O)C(C)CC WXVL_AK00476SB0054 [0,2,0,0,0,0|0,0,2]=4 125 B8R0.3 CCNC(=O)C(C)CC WXVL_AK00476SB0054 [0,2,0,0,0,0|0,0,2]=4 126 B8R0.3 CCNC(=O)[C@@H](O)CC WXVL_AK00476SB3573 [0,2,0,0,0,0|0,0,1]=3 127 B8R0.3 CCNC(=O)[C@@H](O)CC WXVL_AK00476SB3573 [0,2,0,0,0,0|0,0,1]=3 128 B8R0.3 CCNC(=O)[C@H](C)CC WXVL_AK00476SB00054 [0,2,0,0,0,0|0,0,2]=4 129 B8R0.3 CCNC(=O)[C@H](C)CC WXVL_AK00476SB00054 [0,2,0,0,0,0|0,0,2]=4 130 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,2,0,0,0,0|0,0,2]=4 131 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,2,0,0,0,0|0,0,2]=4 132 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,2,0,0,0,0|0,0,2]=4 133 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,2,0,0,0,0|0,0,2]=4 134 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,2,0,0,0,0|0,0,2]=4 135 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,2,0,0,0,0|0,0,2]=4 136 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,2,0,0,0,0|1,0,1]=4 137 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,2,0,0,0,0|1,0,1]=4 138 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,2,0,0,0,0|0,0,2]=4 139 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,2,0,0,0,0|0,0,2]=4 140 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,2,0,0,0,0|0,0,2]=4 141 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,2,0,0,0,0|0,0,2]=4 142 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,2,0,0,0,0|0,0,2]=4 143 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,2,0,0,0,0|0,0,2]=4 144 B8R0.9 CC(=O)NC[C@H](O)CO WXVL_AK00483SB0150 [0,2,0,0,0,0|1,0,1]=4 145 B8R0.9 CC(=O)NC[C@H](O)CO WXVL_AK00483SB0150 [0,2,0,0,0,0|1,0,1]=4 146 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,2,0,0,0,0|0,0,2]=4 147 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,2,0,0,0,0|0,0,2]=4 148 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,2,0,0,0,0|0,0,2]=4 149 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,2,0,0,0,0|0,0,2]=4 150 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,2,0,0,0,0|0,0,2]=4 151 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,2,0,0,0,0|0,0,2]=4 152 B8R0.25 CCCNS(=O)(=O)CC WXVL_AK00504HU0028 [0,2,0,0,0,0|1,0,1]=4 153 B8R0.25 CCCNS(=O)(=O)CC WXVL_AK00504HU0028 [0,2,0,0,0,0|1,0,1]=4 154 B8R0.30 CCCS(=O)(=O)NCC WXVL_AK00476HU0030 [0,2,0,0,0,0|1,0,1]=4 155 B8R0.30 CCCS(=O)(=O)NCC WXVL_AK00476HU0030 [0,2,0,0,0,0|1,0,1]=4 156 B8R0.13 CCC(C)(O)C(=O)NC WXVL_AK00442SB3009 [0,2,0,0,0,0|1,0,1]=4 157 B8R0.13 CCC(C)(O)C(=O)NC WXVL_AK00442SB3009 [0,2,0,0,0,0|1,0,1]=4 158 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,1,0,1,0,0|0,0,2]=4 159 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,1,0,1,0,0|0,0,2]=4 160 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,1,0,1,0,0|1,0,1]=4 161 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,1,0,1,0,0|1,0,1]=4 162 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,1,0,1,0,0|1,0,1]=4 163 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,1,0,1,0,0|1,0,1]=4 164 B8R1.37 CCNC(=O)C1CC1 WXVL_AK00476SB0038 [0,1,0,1,0,0|0,0,2]=4 165 B8R1.37 CCNC(=O)C1CC1 WXVL_AK00476SB0038 [0,1,0,1,0,0|0,0,2]=4 166 B8R1.39 CNC(=O)C1(CC1)O WXVL_AK00442SB2965 [0,1,0,1,0,0|1,0,1]=4 167 B8R1.39 CNC(=O)C1(CC1)O WXVL_AK00442SB2965 [0,1,0,1,0,0|1,0,1]=4