0 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,0,1,0,0,0|1,0,1]=3 1 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,0,1,0,0,0|1,0,1]=3 2 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,0,1,0,0,0|1,0,1]=3 3 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,0,1,0,0,0|1,0,1]=3 4 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,0,1,0,0,0|2,0,1]=4 5 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,0,1,0,0,0|2,0,1]=4 6 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [0,0,1,0,0,0|2,0,1]=4 7 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [0,0,1,0,0,0|2,0,1]=4 8 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [0,0,1,0,0,0|2,0,1]=4 9 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [0,0,1,0,0,0|2,0,1]=4 10 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [0,0,1,0,0,0|2,0,1]=4 11 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [0,0,1,0,0,0|2,0,1]=4 12 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [0,0,1,0,0,0|1,0,1]=3 13 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [0,0,1,0,0,0|1,0,1]=3 14 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [0,0,1,0,0,0|2,0,1]=4 15 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [0,0,1,0,0,0|2,0,1]=4 16 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [0,0,1,0,0,0|2,0,1]=4 17 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [0,0,1,0,0,0|2,0,1]=4 18 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [0,0,1,0,0,0|2,0,1]=4 19 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [0,0,1,0,0,0|2,0,1]=4 20 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [0,0,1,0,0,0|2,0,1]=4 21 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [0,0,1,0,0,0|2,0,1]=4 22 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,1,0,0,0|1,0,1]=4 23 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,1,0,0,0|1,0,1]=4 24 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,1,0,0,0|1,0,1]=4 25 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,1,0,0,0|1,0,1]=4 26 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [1,0,1,0,0,0|1,0,1]=4 27 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [1,0,1,0,0,0|1,0,1]=4 28 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [0,1,1,0,0,0|1,0,1]=4 29 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [0,1,1,0,0,0|1,0,1]=4 30 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [0,1,1,0,0,0|1,0,1]=4 31 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [0,1,1,0,0,0|1,0,1]=4 32 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [0,1,1,0,0,0|1,0,1]=4 33 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [0,1,1,0,0,0|1,0,1]=4 34 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [0,1,1,0,0,0|0,0,1]=3 35 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [0,1,1,0,0,0|0,0,1]=3 36 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [0,1,1,0,0,0|1,0,1]=4 37 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [0,1,1,0,0,0|1,0,1]=4 38 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [0,1,1,0,0,0|1,0,1]=4 39 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [0,1,1,0,0,0|1,0,1]=4 40 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,1,0,0,0|1,0,1]=4 41 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,1,0,0,0|1,0,1]=4 42 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,1,0,0,0|1,0,1]=4 43 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,1,0,0,0|1,0,1]=4 44 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,1,1,0,0,0|1,0,1]=4 45 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,1,1,0,0,0|1,0,1]=4 46 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,1,1,0,0,0|1,0,1]=4 47 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,1,1,0,0,0|1,0,1]=4 48 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,1,1,0,0,0|1,0,1]=4 49 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,1,1,0,0,0|1,0,1]=4 50 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,1,1,0,0,0|1,0,1]=4 51 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,1,1,0,0,0|1,0,1]=4 52 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [0,1,1,0,0,0|1,0,1]=4 53 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [0,1,1,0,0,0|1,0,1]=4 54 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [0,1,1,0,0,0|2,0,0]=4 55 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [0,1,1,0,0,0|2,0,0]=4 56 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [0,1,1,0,0,0|1,0,1]=4 57 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [0,1,1,0,0,0|1,0,1]=4 58 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [0,1,1,0,0,0|1,0,1]=4 59 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [0,1,1,0,0,0|1,0,1]=4 60 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [0,1,1,0,0,0|1,0,1]=4 61 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [0,1,1,0,0,0|1,0,1]=4 62 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,1,0,0,0|1,0,1]=4 63 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,1,0,0,0|1,0,1]=4 64 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,1,0,0,0|1,0,1]=4 65 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,1,0,0,0|1,0,1]=4 66 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,1,0,0,0|1,0,1]=4 67 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,1,0,0,0|1,0,1]=4 68 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [0,1,1,0,0,0|1,0,1]=4 69 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [0,1,1,0,0,0|1,0,1]=4 70 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [0,1,1,0,0,0|1,0,1]=4 71 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [0,1,1,0,0,0|1,0,1]=4 72 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [0,1,1,0,0,0|1,0,1]=4 73 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [0,1,1,0,0,0|1,0,1]=4 74 B7R0.11 CCCS(=O)(=O)NC WXVL_AK00442HU0030 [0,1,1,0,0,0|2,0,0]=4 75 B7R0.11 CCCS(=O)(=O)NC WXVL_AK00442HU0030 [0,1,1,0,0,0|2,0,0]=4 76 B7R0.11 CCNS(=O)(=O)CC WXVL_AK00476HU0028 [0,1,1,0,0,0|2,0,0]=4 77 B7R0.11 CCNS(=O)(=O)CC WXVL_AK00476HU0028 [0,1,1,0,0,0|2,0,0]=4 78 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,1,1,0,0,0|1,0,1]=4 79 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,1,1,0,0,0|1,0,1]=4 80 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,1,1,0,0,0|1,0,1]=4 81 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,1,1,0,0,0|1,0,1]=4 82 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,1,1,0,0,0|1,0,1]=4 83 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,1,1,0,0,0|1,0,1]=4 84 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,1,1,0,0,0|1,0,1]=4 85 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,1,1,0,0,0|1,0,1]=4 86 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,1,1,0,0,0|1,0,1]=4 87 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,1,1,0,0,0|1,0,1]=4 88 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [0,1,1,0,0,0|1,0,1]=4 89 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [0,1,1,0,0,0|1,0,1]=4 90 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [0,1,1,0,0,0|1,0,1]=4 91 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [0,1,1,0,0,0|1,0,1]=4 92 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [0,1,1,0,0,0|1,0,1]=4 93 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [0,1,1,0,0,0|1,0,1]=4 94 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [0,1,1,0,0,0|1,0,1]=4 95 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [0,1,1,0,0,0|1,0,1]=4 96 B7R0.8 CCCCS(=O)(=O)N WXVL_AK0084HU0031 [0,1,1,0,0,0|2,0,0]=4 97 B7R0.8 CCCCS(=O)(=O)N WXVL_AK0084HU0031 [0,1,1,0,0,0|2,0,0]=4 98 B9R1.6 NC(=O)C1CCCCC1 WXVL_AK0084SB0047 [0,2,0,0,0,0|1,0,1]=4 99 B9R1.6 NC(=O)C1CCCCC1 WXVL_AK0084SB0047 [0,2,0,0,0,0|1,0,1]=4 100 B9R1.6 NC(=O)C1CCCCO1 WXVL_AK0084SB0206 [0,2,0,0,0,0|1,0,1]=4 101 B9R1.6 NC(=O)C1CCCCO1 WXVL_AK0084SB0206 [0,2,0,0,0,0|1,0,1]=4 102 B9R1.6 NC(=O)[C@H]1CCCCO1 WXVL_AK0084SB00044 [0,2,0,0,0,0|1,0,1]=4 103 B9R1.6 NC(=O)[C@H]1CCCCO1 WXVL_AK0084SB00044 [0,2,0,0,0,0|1,0,1]=4 104 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [0,0,1,1,0,0|1,0,1]=4 105 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [0,0,1,1,0,0|1,0,1]=4 106 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [0,0,1,1,0,0|1,0,1]=4 107 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [0,0,1,1,0,0|1,0,1]=4 108 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,0,1,1,0,0|1,0,1]=4 109 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,0,1,1,0,0|1,0,1]=4 110 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [0,0,1,1,0,0|1,0,1]=4 111 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [0,0,1,1,0,0|1,0,1]=4 112 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [0,0,1,1,0,0|1,0,1]=4 113 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [0,0,1,1,0,0|1,0,1]=4