0 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 CCC(=O)N WXVL_AK0084SB0064 [1,0,0,0,0,0|1,0,1]=3 5 B4R0.1 CCC(=O)N WXVL_AK0084SB0064 [1,0,0,0,0,0|1,0,1]=3 6 B4R0.1 CNC(=O)C WXVL_AK00442SB0150 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 CNC(=O)C WXVL_AK00442SB0150 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 NC(=O)CO WXVL_AK0084SB2706 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 NC(=O)CO WXVL_AK0084SB2706 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.3 C/C=C(\C)/C(=O)N WXVL_AK0084SB0343 [0,1,0,0,0,0|0,0,3]=4 15 B6R0.3 C/C=C(\C)/C(=O)N WXVL_AK0084SB0343 [0,1,0,0,0,0|0,0,3]=4 16 B6R0.3 CCC(=O)C(=O)N WXVL_AK0084SB0344 [0,1,0,0,0,0|1,0,2]=4 17 B6R0.3 CCC(=O)C(=O)N WXVL_AK0084SB0344 [0,1,0,0,0,0|1,0,2]=4 18 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [0,1,0,0,0,0|0,0,1]=2 19 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [0,1,0,0,0,0|0,0,1]=2 20 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [0,1,0,0,0,0|0,0,1]=2 21 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [0,1,0,0,0,0|0,0,1]=2 22 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [0,1,0,0,0,0|1,0,1]=3 23 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [0,1,0,0,0,0|1,0,1]=3 24 B6R0.3 CO[C@H](C)C(=O)N WXVL_AK0084SB2926 [0,1,0,0,0,0|1,0,1]=3 25 B6R0.3 CO[C@H](C)C(=O)N WXVL_AK0084SB2926 [0,1,0,0,0,0|1,0,1]=3 26 B3R0.2 CC(=O)N WXVL_AK0084SB0150 [2,0,0,0,0,0|1,0,1]=4 27 B3R0.2 CC(=O)N WXVL_AK0084SB0150 [2,0,0,0,0,0|1,0,1]=4 28 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,1,0,0,0,0|1,0,1]=4 29 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,1,0,0,0,0|1,0,1]=4 30 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,1,0,0,0,0|1,0,1]=4 31 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,1,0,0,0,0|1,0,1]=4 32 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,1,0,0,0,0|1,0,1]=4 33 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,1,0,0,0,0|1,0,1]=4 34 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,1,0,0,0,0|1,0,1]=4 35 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,1,0,0,0,0|1,0,1]=4 36 B5R0.4 CCS(=O)(=O)N WXVL_AK0084HU0028 [1,1,0,0,0,0|2,0,0]=4 37 B5R0.4 CCS(=O)(=O)N WXVL_AK0084HU0028 [1,1,0,0,0,0|2,0,0]=4 38 B5R0.5 CC(=O)N(C)C WXVL_AN0032SB0150 [1,1,0,0,0,0|1,0,1]=4 39 B5R0.5 CC(=O)N(C)C WXVL_AN0032SB0150 [1,1,0,0,0,0|1,0,1]=4 40 B5R0.5 CC(C)C(=O)N WXVL_AK0084SB0052 [1,1,0,0,0,0|0,0,1]=3 41 B5R0.5 CC(C)C(=O)N WXVL_AK0084SB0052 [1,1,0,0,0,0|0,0,1]=3 42 B5R0.5 CC(S)C(=O)N WXVL_AK0084SB2708 [1,1,0,0,0,0|1,0,1]=4 43 B5R0.5 CC(S)C(=O)N WXVL_AK0084SB2708 [1,1,0,0,0,0|1,0,1]=4 44 B5R0.5 C[C@@H](O)C(=O)N WXVL_AK0084SB1085 [1,1,0,0,0,0|1,0,1]=4 45 B5R0.5 C[C@@H](O)C(=O)N WXVL_AK0084SB1085 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [0,2,0,0,0,0|1,0,1]=4 47 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [0,2,0,0,0,0|1,0,1]=4 48 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [0,2,0,0,0,0|1,0,1]=4 49 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [0,2,0,0,0,0|1,0,1]=4 50 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [0,2,0,0,0,0|0,0,0]=2 51 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [0,2,0,0,0,0|0,0,0]=2 52 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [0,2,0,0,0,0|1,0,0]=3 53 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [0,2,0,0,0,0|1,0,0]=3 54 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [0,2,0,0,0,0|0,0,0]=2 55 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [0,2,0,0,0,0|0,0,0]=2 56 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [0,2,0,0,0,0|1,0,1]=4 57 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [0,2,0,0,0,0|1,0,1]=4 58 B7R0.5 CC/C=C(\C)/C(=O)N WXVL_AK0084SB0037 [0,2,0,0,0,0|0,0,2]=4 59 B7R0.5 CC/C=C(\C)/C(=O)N WXVL_AK0084SB0037 [0,2,0,0,0,0|0,0,2]=4 60 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [0,2,0,0,0,0|0,0,1]=3 61 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [0,2,0,0,0,0|0,0,1]=3 62 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [0,2,0,0,0,0|1,0,1]=4 63 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [0,2,0,0,0,0|1,0,1]=4 64 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [0,2,0,0,0,0|0,0,1]=3 65 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [0,2,0,0,0,0|0,0,1]=3 66 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [0,2,0,0,0,0|0,0,1]=3 67 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [0,2,0,0,0,0|0,0,1]=3 68 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [0,2,0,0,0,0|1,0,1]=4 69 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [0,2,0,0,0,0|1,0,1]=4 70 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [0,2,0,0,0,0|1,0,1]=4 71 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [0,2,0,0,0,0|1,0,1]=4 72 B7R0.13 CC(C)(CCl)C(=O)N WXVL_AK0084SB3392 [0,2,0,0,0,0|1,0,1]=4 73 B7R0.13 CC(C)(CCl)C(=O)N WXVL_AK0084SB3392 [0,2,0,0,0,0|1,0,1]=4 74 B7R0.13 CCC(C)(C)C(=O)N WXVL_AK0084SB0355 [0,2,0,0,0,0|0,0,1]=3 75 B7R0.13 CCC(C)(C)C(=O)N WXVL_AK0084SB0355 [0,2,0,0,0,0|0,0,1]=3 76 B7R0.13 CCC(C)(O)C(=O)N WXVL_AK0084SB3009 [0,2,0,0,0,0|0,0,1]=3 77 B7R0.13 CCC(C)(O)C(=O)N WXVL_AK0084SB3009 [0,2,0,0,0,0|0,0,1]=3 78 B7R0.13 COC(C)(C)C(=O)N WXVL_AK0084SB0207 [0,2,0,0,0,0|1,0,1]=4 79 B7R0.13 COC(C)(C)C(=O)N WXVL_AK0084SB0207 [0,2,0,0,0,0|1,0,1]=4 80 B7R0.15 CCC(CC)C(=O)N WXVL_AK0084SB0055 [0,2,0,0,0,0|0,0,1]=3 81 B7R0.15 CCC(CC)C(=O)N WXVL_AK0084SB0055 [0,2,0,0,0,0|0,0,1]=3 82 B7R0.15 CCN(CC)C(=O)C WXVL_AN0042SB0150 [0,2,0,0,0,0|2,0,0]=4 83 B7R0.15 CCN(CC)C(=O)C WXVL_AN0042SB0150 [0,2,0,0,0,0|2,0,0]=4 84 B7R0.15 COC(OC)C(=O)N WXVL_AK0084SB8546 [0,2,0,0,0,0|1,0,1]=4 85 B7R0.15 COC(OC)C(=O)N WXVL_AK0084SB8546 [0,2,0,0,0,0|1,0,1]=4 86 B7R0.16 CC(C)C(O)C(=O)N WXVL_AK0084SB1147 [0,2,0,0,0,0|1,0,1]=4 87 B7R0.16 CC(C)C(O)C(=O)N WXVL_AK0084SB1147 [0,2,0,0,0,0|1,0,1]=4 88 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [0,1,0,1,0,0|0,0,1]=3 89 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [0,1,0,1,0,0|0,0,1]=3 90 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [0,1,0,1,0,0|1,0,1]=4 92 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [0,1,0,1,0,0|1,0,1]=4 93 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [0,1,0,1,0,0|1,0,1]=4 94 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,1,0,1,0,0|0,0,1]=3 95 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,1,0,1,0,0|0,0,1]=3 96 B7R1.19 CC1(CC1)C(=O)N WXVL_AK0084SB0040 [0,1,0,1,0,0|0,0,1]=3 97 B7R1.19 CC1(CC1)C(=O)N WXVL_AK0084SB0040 [0,1,0,1,0,0|0,0,1]=3 98 B7R1.19 NC(=O)C1(CC1)Br WXVL_AK0084SB5517 [0,1,0,1,0,0|1,0,1]=4 99 B7R1.19 NC(=O)C1(CC1)Br WXVL_AK0084SB5517 [0,1,0,1,0,0|1,0,1]=4 100 B7R1.19 NC(=O)C1(CC1)F WXVL_AK0084SB0218 [0,1,0,1,0,0|1,0,1]=4 101 B7R1.19 NC(=O)C1(CC1)F WXVL_AK0084SB0218 [0,1,0,1,0,0|1,0,1]=4 102 B7R1.19 NC(=O)C1(CC1)O WXVL_AK0084SB2965 [0,1,0,1,0,0|1,0,1]=4 103 B7R1.19 NC(=O)C1(CC1)O WXVL_AK0084SB2965 [0,1,0,1,0,0|1,0,1]=4