0 B9R0.39 CC(=O)NC(C#N)C(=O)N WXVL_AK3381SB0150 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.39 CC(=O)NC(C#N)C(=O)N WXVL_AK3381SB0150 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.39 CC(=O)NC(CO)C(C)C WXVL_AK0106SB0150 [0,0,0,0,0,0|2,1,1]=4 3 B9R0.39 CC(=O)NC(CO)C(C)C WXVL_AK0106SB0150 [0,0,0,0,0,0|2,1,1]=4 4 B9R0.39 CC(=O)N[C@H](CO)[C@@H](C)O WXVL_AK0126SB0150 [0,0,0,0,0,0|1,1,1]=3 5 B9R0.39 CC(=O)N[C@H](CO)[C@@H](C)O WXVL_AK0126SB0150 [0,0,0,0,0,0|1,1,1]=3 6 B9R0.39 CC[C@@H](NC(=O)C)C(=O)N WXVL_AK0084SB3348 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.39 CC[C@@H](NC(=O)C)C(=O)N WXVL_AK0084SB3348 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O WXVL_AK00602SB0150 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O WXVL_AK00602SB0150 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.16 C=C[C@@H](CO)NC(=O)C WXVL_AK00581SB0150 [1,0,0,0,0,0|1,1,0]=3 11 B8R0.16 C=C[C@@H](CO)NC(=O)C WXVL_AK00581SB0150 [1,0,0,0,0,0|1,1,0]=3 12 B8R0.16 CC(=O)NC(CO)CO WXVL_AK0741SB0150 [1,0,0,0,0,0|0,1,1]=3 13 B8R0.16 CC(=O)NC(CO)CO WXVL_AK0741SB0150 [1,0,0,0,0,0|0,1,1]=3 14 B8R0.16 CC[C@H](CO)NC(=O)C WXVL_AK0111SB0150 [1,0,0,0,0,0|1,0,1]=3 15 B8R0.16 CC[C@H](CO)NC(=O)C WXVL_AK0111SB0150 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.23 C/C(=C/C(=O)N)/C(=O)O WXVL_AK0084SB2187 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.23 C/C(=C/C(=O)N)/C(=O)O WXVL_AK0084SB2187 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.23 CC(=O)NC(C)C(=O)N WXVL_AK0084SB0373 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.23 CC(=O)NC(C)C(=O)N WXVL_AK0084SB0373 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.23 CC(=O)N[C@H](C)C(=O)N WXVL_AK6986SB0150 [1,0,0,0,0,0|1,0,0]=2 21 B8R0.23 CC(=O)N[C@H](C)C(=O)N WXVL_AK6986SB0150 [1,0,0,0,0,0|1,0,0]=2 22 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)N WXVL_AK0084SB2244 [0,1,0,0,0,0|2,0,0]=3 23 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)N WXVL_AK0084SB2244 [0,1,0,0,0,0|2,0,0]=3 24 B10R0.53 CCC(=O)NC(C#N)C(=O)N WXVL_AK3381SB0064 [0,1,0,0,0,0|2,0,1]=4 25 B10R0.53 CCC(=O)NC(C#N)C(=O)N WXVL_AK3381SB0064 [0,1,0,0,0,0|2,0,1]=4 26 B10R0.53 CCC(=O)N[C@@H](CC)[C@@H](C)O WXVL_AK00602SB0064 [0,1,0,0,0,0|2,0,1]=4 27 B10R0.53 CCC(=O)N[C@@H](CC)[C@@H](C)O WXVL_AK00602SB0064 [0,1,0,0,0,0|2,0,1]=4 28 B10R0.53 CCC(=O)N[C@H](CO)[C@@H](C)O WXVL_AK0126SB0064 [0,1,0,0,0,0|1,1,1]=4 29 B10R0.53 CCC(=O)N[C@H](CO)[C@@H](C)O WXVL_AK0126SB0064 [0,1,0,0,0,0|1,1,1]=4 30 B10R0.53 CC[C@H](NC(=O)CO)[C@@H](C)O WXVL_AK00602SB2706 [0,1,0,0,0,0|2,0,1]=4 31 B10R0.53 CC[C@H](NC(=O)CO)[C@@H](C)O WXVL_AK00602SB2706 [0,1,0,0,0,0|2,0,1]=4 32 B10R0.53 C[C@@H](O)[C@@H](CO)NC(=O)CO WXVL_AK0126SB2706 [0,1,0,0,0,0|1,1,1]=4 33 B10R0.53 C[C@@H](O)[C@@H](CO)NC(=O)CO WXVL_AK0126SB2706 [0,1,0,0,0,0|1,1,1]=4 34 B10R0.53 N#CC(NC(=O)CO)C(=O)N WXVL_AK3381SB2706 [0,1,0,0,0,0|2,0,1]=4 35 B10R0.53 N#CC(NC(=O)CO)C(=O)N WXVL_AK3381SB2706 [0,1,0,0,0,0|2,0,1]=4 36 B10R0.54 CCC(NC(=O)C)C(=O)OC WXVL_AK0811SB0150 [0,1,0,0,0,0|1,0,0]=2 37 B10R0.54 CCC(NC(=O)C)C(=O)OC WXVL_AK0811SB0150 [0,1,0,0,0,0|1,0,0]=2 38 B10R0.54 CC[C@@H](NC(=O)C)C(=O)NC WXVL_AK00442SB3348 [0,1,0,0,0,0|2,0,0]=3 39 B10R0.54 CC[C@@H](NC(=O)C)C(=O)NC WXVL_AK00442SB3348 [0,1,0,0,0,0|2,0,0]=3 40 B10R0.162 CC(=O)NC(C(=O)N)C(C)C WXVL_AK0084SB0410 [0,1,0,0,0,0|2,0,0]=3 41 B10R0.162 CC(=O)NC(C(=O)N)C(C)C WXVL_AK0084SB0410 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.64 CC(=O)N[C@@H]1CCNC1=O WXVL_AK0496SB0150 [0,0,0,1,0,0|2,0,0]=3 43 B10R1.64 CC(=O)N[C@@H]1CCNC1=O WXVL_AK0496SB0150 [0,0,0,1,0,0|2,0,0]=3 44 B10R1.64 CC(=O)N[C@@H]1COC[C@H]1O WXVL_AK0348SB0150 [0,0,0,1,0,0|1,1,1]=4 45 B10R1.64 CC(=O)N[C@@H]1COC[C@H]1O WXVL_AK0348SB0150 [0,0,0,1,0,0|1,1,1]=4 46 B10R1.64 CC(=O)N[C@@H]1CONC1=O WXVL_AK1441SB0150 [0,0,0,1,0,0|1,1,0]=3 47 B10R1.64 CC(=O)N[C@@H]1CONC1=O WXVL_AK1441SB0150 [0,0,0,1,0,0|1,1,0]=3 48 B7R0.5 C[C@H](NC=O)C(=O)N WXVL_AK0084SB5176 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.5 C[C@H](NC=O)C(=O)N WXVL_AK0084SB5176 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.2 C#C[C@@H](C)NC(=O)C WXVL_AK00735SB0150 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.2 C#C[C@@H](C)NC(=O)C WXVL_AK00735SB0150 [2,0,0,0,0,0|1,0,1]=4 52 B7R0.2 C=CC(C)NC(=O)C WXVL_AK00769SB0150 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.2 C=CC(C)NC(=O)C WXVL_AK00769SB0150 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.2 CC(=O)NC(C)C#N WXVL_AK00810SB0150 [2,0,0,0,0,0|1,0,1]=4 55 B7R0.2 CC(=O)NC(C)C#N WXVL_AK00810SB0150 [2,0,0,0,0,0|1,0,1]=4 56 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [2,0,0,0,0,0|1,0,1]=4 57 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [2,0,0,0,0,0|1,0,1]=4 58 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [2,0,0,0,0,0|0,0,1]=3 59 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [2,0,0,0,0,0|0,0,1]=3 60 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [2,0,0,0,0,0|1,0,1]=4 61 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [2,0,0,0,0,0|1,0,1]=4 62 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [2,0,0,0,0,0|2,0,0]=4 65 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0084SB0357 [2,0,0,0,0,0|1,0,0]=3 67 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0084SB0357 [2,0,0,0,0,0|1,0,0]=3 68 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0147SB0150 [2,0,0,0,0,0|1,0,0]=3 69 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0147SB0150 [2,0,0,0,0,0|1,0,0]=3 70 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [2,0,0,0,0,0|1,0,1]=4 71 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [2,0,0,0,0,0|1,0,1]=4 72 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [2,0,0,0,0,0|1,0,1]=4 73 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [2,0,0,0,0,0|1,0,1]=4 74 B7R0.6 CC(=O)OCC(=O)N WXVL_AK0084SB2824 [2,0,0,0,0,0|2,0,0]=4 75 B7R0.6 CC(=O)OCC(=O)N WXVL_AK0084SB2824 [2,0,0,0,0,0|2,0,0]=4 76 B7R0.6 CC(=O)SCC(=O)N WXVL_AK0084SB3992 [2,0,0,0,0,0|2,0,0]=4 77 B7R0.6 CC(=O)SCC(=O)N WXVL_AK0084SB3992 [2,0,0,0,0,0|2,0,0]=4 78 B7R0.6 NC(=O)CNC(=O)N WXVL_AK0084SB0746 [2,0,0,0,0,0|2,0,0]=4 79 B7R0.6 NC(=O)CNC(=O)N WXVL_AK0084SB0746 [2,0,0,0,0,0|2,0,0]=4 80 B9R0.14 C=CCC(CO)NC(=O)C WXVL_AK00621SB0150 [1,1,0,0,0,0|1,0,1]=4 81 B9R0.14 C=CCC(CO)NC(=O)C WXVL_AK00621SB0150 [1,1,0,0,0,0|1,0,1]=4 82 B9R0.14 CCC[C@@H](CO)NC(=O)C WXVL_AK2551SB0150 [1,1,0,0,0,0|1,0,1]=4 83 B9R0.14 CCC[C@@H](CO)NC(=O)C WXVL_AK2551SB0150 [1,1,0,0,0,0|1,0,1]=4 84 B9R0.26 C=C[C@@H](CO)NC(=O)CC WXVL_AK00581SB0064 [1,1,0,0,0,0|1,1,0]=4 85 B9R0.26 C=C[C@@H](CO)NC(=O)CC WXVL_AK00581SB0064 [1,1,0,0,0,0|1,1,0]=4 86 B9R0.26 C=C[C@@H](CO)NC(=O)CO WXVL_AK00581SB2706 [1,1,0,0,0,0|1,1,0]=4 87 B9R0.26 C=C[C@@H](CO)NC(=O)CO WXVL_AK00581SB2706 [1,1,0,0,0,0|1,1,0]=4 88 B9R0.26 CCC(=O)NC(CO)CO WXVL_AK0741SB0064 [1,1,0,0,0,0|0,1,1]=4 89 B9R0.26 CCC(=O)NC(CO)CO WXVL_AK0741SB0064 [1,1,0,0,0,0|0,1,1]=4 90 B9R0.26 CCC(=O)N[C@H](CC)CO WXVL_AK0111SB0064 [1,1,0,0,0,0|1,0,1]=4 91 B9R0.26 CCC(=O)N[C@H](CC)CO WXVL_AK0111SB0064 [1,1,0,0,0,0|1,0,1]=4 92 B9R0.26 CC[C@H](CO)NC(=O)CO WXVL_AK0111SB2706 [1,1,0,0,0,0|1,0,1]=4 93 B9R0.26 CC[C@H](CO)NC(=O)CO WXVL_AK0111SB2706 [1,1,0,0,0,0|1,0,1]=4 94 B9R0.26 O=C(CO)NC(CO)CO WXVL_AK0741SB2706 [1,1,0,0,0,0|0,1,1]=4 95 B9R0.26 O=C(CO)NC(CO)CO WXVL_AK0741SB2706 [1,1,0,0,0,0|0,1,1]=4 96 B9R0.63 CC(=O)NC(C)(CO)CO WXVL_AK0798SB0150 [1,1,0,0,0,0|0,1,1]=4 97 B9R0.63 CC(=O)NC(C)(CO)CO WXVL_AK0798SB0150 [1,1,0,0,0,0|0,1,1]=4 98 B9R0.11 CC(=O)NC(C)(C)C(=O)N WXVL_AK0084SBE728 [1,1,0,0,0,0|1,0,0]=3 99 B9R0.11 CC(=O)NC(C)(C)C(=O)N WXVL_AK0084SBE728 [1,1,0,0,0,0|1,0,0]=3 100 B9R0.23 CNC(=O)C(C)NC(=O)C WXVL_AK00442SB0373 [1,1,0,0,0,0|1,0,0]=3 101 B9R0.23 CNC(=O)C(C)NC(=O)C WXVL_AK00442SB0373 [1,1,0,0,0,0|1,0,0]=3 102 B9R0.23 CNC(=O)[C@H](C)NC(=O)C WXVL_AK2993SB0150 [1,1,0,0,0,0|1,0,0]=3 103 B9R0.23 CNC(=O)[C@H](C)NC(=O)C WXVL_AK2993SB0150 [1,1,0,0,0,0|1,0,0]=3 104 B9R0.42 C#CC(=O)N[C@H](C)C(=O)N WXVL_AK6986SB0338 [1,1,0,0,0,0|1,0,1]=4 105 B9R0.42 C#CC(=O)N[C@H](C)C(=O)N WXVL_AK6986SB0338 [1,1,0,0,0,0|1,0,1]=4 106 B9R0.42 CCC(=O)N[C@H](C)C(=O)N WXVL_AK6986SB0064 [1,1,0,0,0,0|1,0,0]=3 107 B9R0.42 CCC(=O)N[C@H](C)C(=O)N WXVL_AK6986SB0064 [1,1,0,0,0,0|1,0,0]=3 108 B9R0.42 CNC(=O)/C=C(/C)\C(=O)O WXVL_AK00442SB2187 [1,1,0,0,0,0|1,0,1]=4 109 B9R0.42 CNC(=O)/C=C(/C)\C(=O)O WXVL_AK00442SB2187 [1,1,0,0,0,0|1,0,1]=4 110 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N WXVL_AK6986SB2706 [1,1,0,0,0,0|1,0,0]=3 111 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N WXVL_AK6986SB2706 [1,1,0,0,0,0|1,0,0]=3 112 B11R0.39 C#CC[C@H](NC(=O)C)C(=O)OC WXVL_AK3882SB0150 [0,2,0,0,0,0|1,0,0]=3 113 B11R0.39 C#CC[C@H](NC(=O)C)C(=O)OC WXVL_AK3882SB0150 [0,2,0,0,0,0|1,0,0]=3 114 B11R0.39 CCC[C@@H](NC(=O)C)C(=O)NC WXVL_AK00442SB2244 [0,2,0,0,0,0|2,0,0]=4 115 B11R0.39 CCC[C@@H](NC(=O)C)C(=O)NC WXVL_AK00442SB2244 [0,2,0,0,0,0|2,0,0]=4 116 B11R0.115 CNC(=O)C(NC(=O)C)C(C)C WXVL_AK00442SB0410 [0,2,0,0,0,0|2,0,0]=4 117 B11R0.115 CNC(=O)C(NC(=O)C)C(C)C WXVL_AK00442SB0410 [0,2,0,0,0,0|2,0,0]=4 118 B11R0.115 COC(=O)[C@@H](NC(=O)C)[C@@H](C)O WXVL_AK0764SB0150 [0,2,0,0,0,0|0,1,0]=3 119 B11R0.115 COC(=O)[C@@H](NC(=O)C)[C@@H](C)O WXVL_AK0764SB0150 [0,2,0,0,0,0|0,1,0]=3 120 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)N WXVL_AK0084SB7256 [0,2,0,0,0,0|1,0,0]=3 121 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)N WXVL_AK0084SB7256 [0,2,0,0,0,0|1,0,0]=3 122 B11R0.88 C#CC(=O)NC(CC)C(=O)OC WXVL_AK0811SB0338 [0,2,0,0,0,0|1,0,1]=4 123 B11R0.88 C#CC(=O)NC(CC)C(=O)OC WXVL_AK0811SB0338 [0,2,0,0,0,0|1,0,1]=4 124 B11R0.88 CCC(=O)NC(CC)C(=O)OC WXVL_AK0811SB0064 [0,2,0,0,0,0|1,0,0]=3 125 B11R0.88 CCC(=O)NC(CC)C(=O)OC WXVL_AK0811SB0064 [0,2,0,0,0,0|1,0,0]=3 126 B11R0.88 CCC(NC(=O)CO)C(=O)OC WXVL_AK0811SB2706 [0,2,0,0,0,0|1,0,0]=3 127 B11R0.88 CCC(NC(=O)CO)C(=O)OC WXVL_AK0811SB2706 [0,2,0,0,0,0|1,0,0]=3 128 B11R0.56 CCNC(=O)[C@@H](CC)NC(=O)C WXVL_AK00476SB3348 [0,2,0,0,0,0|2,0,0]=4 129 B11R0.56 CCNC(=O)[C@@H](CC)NC(=O)C WXVL_AK00476SB3348 [0,2,0,0,0,0|2,0,0]=4 130 B11R0.56 CCOC(=O)[C@H](CO)NC(=O)C WXVL_AK0757SB0150 [0,2,0,0,0,0|0,1,0]=3 131 B11R0.56 CCOC(=O)[C@H](CO)NC(=O)C WXVL_AK0757SB0150 [0,2,0,0,0,0|0,1,0]=3 132 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 WXVL_AK0084SB0126 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 WXVL_AK0084SB0126 [1,0,0,1,0,0|2,0,0]=4 134 B11R1.175 CC(=O)N1CC[C@H](C1)C(=O)N WXVL_AN2719SB0150 [0,0,0,1,0,1|2,0,0]=4 135 B11R1.175 CC(=O)N1CC[C@H](C1)C(=O)N WXVL_AN2719SB0150 [0,0,0,1,0,1|2,0,0]=4 136 B11R1.178 CC(=O)N1CCCC1C(=O)N WXVL_AN00628SB0150 [0,1,0,1,0,0|2,0,0]=4 137 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N WXVL_AN0009SB0150 [0,1,0,1,0,0|2,0,0]=4 138 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N WXVL_AN0009SB0150 [0,1,0,1,0,0|2,0,0]=4 139 B11R1.178 CC(=O)N1CSCC1C(=O)N WXVL_AK0084SB4002 [0,1,0,1,0,0|1,0,0]=3 140 B11R1.178 CC(=O)N1CSCC1C(=O)N WXVL_AK0084SB4002 [0,1,0,1,0,0|1,0,0]=3 141 B11R1.228 CCC(=O)N[C@@H]1CCNC1=O WXVL_AK0496SB0064 [0,1,0,1,0,0|2,0,0]=4 142 B11R1.228 CCC(=O)N[C@@H]1CCNC1=O WXVL_AK0496SB0064 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.228 CCC(=O)N[C@@H]1CONC1=O WXVL_AK1441SB0064 [0,1,0,1,0,0|1,1,0]=4 144 B11R1.228 CCC(=O)N[C@@H]1CONC1=O WXVL_AK1441SB0064 [0,1,0,1,0,0|1,1,0]=4 145 B11R1.228 O=C(CO)N[C@@H]1CCNC1=O WXVL_AK0496SB2706 [0,1,0,1,0,0|2,0,0]=4 146 B11R1.228 O=C(CO)N[C@@H]1CCNC1=O WXVL_AK0496SB2706 [0,1,0,1,0,0|2,0,0]=4 147 B11R1.228 O=C(CO)N[C@@H]1CONC1=O WXVL_AK1441SB2706 [0,1,0,1,0,0|1,1,0]=4 148 B11R1.228 O=C(CO)N[C@@H]1CONC1=O WXVL_AK1441SB2706 [0,1,0,1,0,0|1,1,0]=4