0 B7R0.3 C#CC(=O)NCC=C WXVL_AK00561SB0338 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.3 C#CC(=O)NCC=C WXVL_AK00561SB0338 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,0,0,0,0,0|1,0,2]=3 16 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.3 N#CCNC(=O)CO WXVL_AK0683SB2706 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.3 N#CCNC(=O)CO WXVL_AK0683SB2706 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,0,0,0,0,0|1,0,2]=4 35 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,0,0,0,0,0|1,0,2]=4 36 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,0,0,0,0|1,0,2]=4 56 B8R0.1 C#CCC(=O)NCC=C WXVL_AK00561SB3070 [0,1,0,0,0,0|1,0,1]=3 57 B8R0.1 C#CCC(=O)NCC=C WXVL_AK00561SB3070 [0,1,0,0,0,0|1,0,1]=3 58 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,1,0,0,0,0|1,0,2]=4 59 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,1,0,0,0,0|1,0,2]=4 60 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,1,0,0,0,0|1,0,0]=2 61 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,1,0,0,0,0|1,0,0]=2 62 B8R0.1 C=CCNC(=O)/C=C/C WXVL_AK00561SB0340 [0,1,0,0,0,0|1,0,1]=3 63 B8R0.1 C=CCNC(=O)/C=C/C WXVL_AK00561SB0340 [0,1,0,0,0,0|1,0,1]=3 64 B8R0.1 C=CCNC(=O)C#CC WXVL_AK00561SB1240 [0,1,0,0,0,0|1,0,1]=3 65 B8R0.1 C=CCNC(=O)C#CC WXVL_AK00561SB1240 [0,1,0,0,0,0|1,0,1]=3 66 B8R0.1 C=CCNC(=O)CC#N WXVL_AK00561SB0057 [0,1,0,0,0,0|1,0,1]=3 67 B8R0.1 C=CCNC(=O)CC#N WXVL_AK00561SB0057 [0,1,0,0,0,0|1,0,1]=3 68 B8R0.1 C=CCNC(=O)CC=C WXVL_AK00561SB2732 [0,1,0,0,0,0|1,0,1]=3 69 B8R0.1 C=CCNC(=O)CC=C WXVL_AK00561SB2732 [0,1,0,0,0,0|1,0,1]=3 70 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,1,0,0,0,0|1,0,0]=2 71 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,1,0,0,0,0|1,0,0]=2 72 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,1,0,0,0,0|1,0,0]=2 73 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,1,0,0,0,0|1,0,0]=2 76 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,1,0,0,0,0|1,0,2]=4 81 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,1,0,0,0,0|1,0,2]=4 82 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,1,0,0,0,0|1,0,2]=4 83 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,1,0,0,0,0|1,0,2]=4 84 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,1,0,0,0,0|1,0,2]=4 85 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,1,0,0,0,0|1,0,2]=4 86 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.1 COCC(=O)NCC#N WXVL_AK0683SB0090 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.1 COCC(=O)NCC#N WXVL_AK0683SB0090 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,1,0,0,0,0|2,0,1]=4 95 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.1 CSCC(=O)NCC#N WXVL_AK0683SB1267 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.1 CSCC(=O)NCC#N WXVL_AK0683SB1267 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.3 CCC(=O)N(C)CC#N WXVL_AN2942SB0064 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.3 CCC(=O)N(C)CC#N WXVL_AN2942SB0064 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,1,0,0,0,0|2,0,1]=4 104 B8R0.6 C#CC(=O)NCCC=C WXVL_AK00138SB0338 [0,1,0,0,0,0|1,0,2]=4 105 B8R0.6 C#CC(=O)NCCC=C WXVL_AK00138SB0338 [0,1,0,0,0,0|1,0,2]=4 106 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,1,0,0,0,0|1,0,2]=4 107 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,1,0,0,0,0|1,0,2]=4 108 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,1,0,0,0,0|2,0,0]=3 111 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,1,0,0,0,0|2,0,0]=3 112 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,1,0,0,0,0|1,0,0]=2 113 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,1,0,0,0,0|1,0,0]=2 114 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [0,1,0,0,0,0|2,0,0]=3 115 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [0,1,0,0,0,0|2,0,0]=3 116 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,1,0,0,0,0|1,0,2]=4 117 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,1,0,0,0,0|1,0,2]=4 118 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,0,0,0,0|1,0,2]=4 119 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,0,0,0,0|1,0,2]=4 120 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,0,0,0,0|1,0,2]=4 121 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,0,0,0,0|1,0,2]=4 122 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|1,0,2]=4 123 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|1,0,2]=4 124 B8R0.8 C=CCCC(=O)N(C)C WXVL_AN0032SB1035 [0,1,0,0,0,0|2,0,0]=3 125 B8R0.8 C=CCCC(=O)N(C)C WXVL_AN0032SB1035 [0,1,0,0,0,0|2,0,0]=3 126 B8R0.8 C=CCNC(=O)C(=C)F WXVL_AK00561SB1376 [0,1,0,0,0,0|1,0,2]=4 127 B8R0.8 C=CCNC(=O)C(=C)F WXVL_AK00561SB1376 [0,1,0,0,0,0|1,0,2]=4 128 B8R0.8 C=CCNC(=O)C(=O)C WXVL_AK00561SB0051 [0,1,0,0,0,0|1,0,1]=3 129 B8R0.8 C=CCNC(=O)C(=O)C WXVL_AK00561SB0051 [0,1,0,0,0,0|1,0,1]=3 130 B8R0.8 C=CCNC(=O)C(=O)N WXVL_AK00561SB0128 [0,1,0,0,0,0|2,0,1]=4 131 B8R0.8 C=CCNC(=O)C(=O)N WXVL_AK00561SB0128 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.8 C=CCNC(=O)C(C)C WXVL_AK00561SB0052 [0,1,0,0,0,0|1,0,0]=2 133 B8R0.8 C=CCNC(=O)C(C)C WXVL_AK00561SB0052 [0,1,0,0,0,0|1,0,0]=2 134 B8R0.8 C=CCNC(=O)C(C)S WXVL_AK00561SB2708 [0,1,0,0,0,0|1,0,0]=2 135 B8R0.8 C=CCNC(=O)C(C)S WXVL_AK00561SB2708 [0,1,0,0,0,0|1,0,0]=2 136 B8R0.8 C=CCNC(=O)C(F)F WXVL_AK00561SB0079 [0,1,0,0,0,0|2,0,0]=3 137 B8R0.8 C=CCNC(=O)C(F)F WXVL_AK00561SB0079 [0,1,0,0,0,0|2,0,0]=3 138 B8R0.8 C=CCNC(=O)[C@@H](C)O WXVL_AK00561SB1085 [0,1,0,0,0,0|1,0,0]=2 139 B8R0.8 C=CCNC(=O)[C@@H](C)O WXVL_AK00561SB1085 [0,1,0,0,0,0|1,0,0]=2 140 B8R0.8 CC(C)C(=O)NCC#N WXVL_AK0683SB0052 [0,1,0,0,0,0|2,0,1]=4 141 B8R0.8 CC(C)C(=O)NCC#N WXVL_AK0683SB0052 [0,1,0,0,0,0|2,0,1]=4 142 B8R0.8 CC(C)C(=O)NCCF WXVL_AK00466SB0052 [0,1,0,0,0,0|2,0,1]=4 143 B8R0.8 CC(C)C(=O)NCCF WXVL_AK00466SB0052 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.8 CC(S)C(=O)NCC#N WXVL_AK0683SB2708 [0,1,0,0,0,0|2,0,1]=4 145 B8R0.8 CC(S)C(=O)NCC#N WXVL_AK0683SB2708 [0,1,0,0,0,0|2,0,1]=4 146 B8R0.8 CC(S)C(=O)NCCF WXVL_AK00466SB2708 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.8 CC(S)C(=O)NCCF WXVL_AK00466SB2708 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,1,0,0,0,0|1,0,2]=4 149 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,1,0,0,0,0|1,0,2]=4 150 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,1,0,0,0,0|1,0,2]=4 151 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,1,0,0,0,0|1,0,2]=4 152 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,1,0,0,0,0|1,0,2]=4 153 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,1,0,0,0,0|1,0,2]=4 154 B8R0.8 C[C@@H](O)C(=O)NCC#N WXVL_AK0683SB1085 [0,1,0,0,0,0|2,0,1]=4 155 B8R0.8 C[C@@H](O)C(=O)NCC#N WXVL_AK0683SB1085 [0,1,0,0,0,0|2,0,1]=4 156 B8R0.8 C[C@@H](O)C(=O)NCCF WXVL_AK00466SB1085 [0,1,0,0,0,0|2,0,1]=4 157 B8R0.8 C[C@@H](O)C(=O)NCCF WXVL_AK00466SB1085 [0,1,0,0,0,0|2,0,1]=4 158 B8R0.9 C#CC(=O)NCC(=C)C WXVL_AK0761SB0338 [0,1,0,0,0,0|1,0,2]=4 159 B8R0.9 C#CC(=O)NCC(=C)C WXVL_AK0761SB0338 [0,1,0,0,0,0|1,0,2]=4 160 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,1,0,0,0,0|1,0,0]=2 161 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,1,0,0,0,0|1,0,0]=2 162 B8R0.9 C=C(C)CNC(=O)CO WXVL_AK0761SB2706 [0,1,0,0,0,0|2,0,0]=3 163 B8R0.9 C=C(C)CNC(=O)CO WXVL_AK0761SB2706 [0,1,0,0,0,0|2,0,0]=3 164 B8R0.9 CCC(=O)NCC(=O)N WXVL_AK0147SB0064 [0,1,0,0,0,0|2,0,0]=3 165 B8R0.9 CCC(=O)NCC(=O)N WXVL_AK0147SB0064 [0,1,0,0,0,0|2,0,0]=3 166 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,1,0,0,0,0|1,0,2]=4 167 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,1,0,0,0,0|1,0,2]=4 168 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,1,0,0,0,0|1,0,2]=4 169 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,1,0,0,0,0|1,0,2]=4 170 B8R0.9 CCC(=O)NCC(F)F WXVL_AK0136SB0064 [0,1,0,0,0,0|2,0,1]=4 171 B8R0.9 CCC(=O)NCC(F)F WXVL_AK0136SB0064 [0,1,0,0,0,0|2,0,1]=4 172 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,1,0,0,0,0|1,0,2]=4 173 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,1,0,0,0,0|1,0,2]=4 174 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,1,0,0,0,0|2,0,1]=4 175 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,1,0,0,0,0|2,0,1]=4 176 B8R0.9 CNC(=O)CCC(=O)N WXVL_AK00442SB0358 [0,1,0,0,0,0|3,0,0]=4 177 B8R0.9 CNC(=O)CCC(=O)N WXVL_AK00442SB0358 [0,1,0,0,0,0|3,0,0]=4 178 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [0,1,0,0,0,0|3,0,0]=4 179 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [0,1,0,0,0,0|3,0,0]=4 180 B8R0.9 NC(=O)CNC(=O)CO WXVL_AK0147SB2706 [0,1,0,0,0,0|3,0,0]=4 181 B8R0.9 NC(=O)CNC(=O)CO WXVL_AK0147SB2706 [0,1,0,0,0,0|3,0,0]=4 182 B8R0.19 C#CC(=O)NC(C)C=C WXVL_AK00769SB0338 [0,1,0,0,0,0|1,0,2]=4 183 B8R0.19 C#CC(=O)NC(C)C=C WXVL_AK00769SB0338 [0,1,0,0,0,0|1,0,2]=4 184 B8R0.19 C#C[C@@H](C)NC(=O)CC WXVL_AK00735SB0064 [0,1,0,0,0,0|1,0,2]=4 185 B8R0.19 C#C[C@@H](C)NC(=O)CC WXVL_AK00735SB0064 [0,1,0,0,0,0|1,0,2]=4 186 B8R0.19 C=CC(C)NC(=O)CC WXVL_AK00769SB0064 [0,1,0,0,0,0|1,0,0]=2 187 B8R0.19 C=CC(C)NC(=O)CC WXVL_AK00769SB0064 [0,1,0,0,0,0|1,0,0]=2 188 B8R0.19 C=CC(C)NC(=O)CO WXVL_AK00769SB2706 [0,1,0,0,0,0|2,0,0]=3 189 B8R0.19 C=CC(C)NC(=O)CO WXVL_AK00769SB2706 [0,1,0,0,0,0|2,0,0]=3 190 B8R0.19 CCC(=O)NC(C)C#N WXVL_AK00810SB0064 [0,1,0,0,0,0|2,0,1]=4 191 B8R0.19 CCC(=O)NC(C)C#N WXVL_AK00810SB0064 [0,1,0,0,0,0|2,0,1]=4 192 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,1,0,0,0,0|1,0,2]=4 193 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,1,0,0,0,0|1,0,2]=4 194 B8R0.19 CCC(=O)N[C@@H](C)CF WXVL_AK00558SB0064 [0,1,0,0,0,0|2,0,1]=4 195 B8R0.19 CCC(=O)N[C@@H](C)CF WXVL_AK00558SB0064 [0,1,0,0,0,0|2,0,1]=4 196 B8R0.19 CCC(=O)N[C@@H](C)CO WXVL_AK0109SB0064 [0,1,0,0,0,0|2,0,1]=4 197 B8R0.19 CCC(=O)N[C@@H](C)CO WXVL_AK0109SB0064 [0,1,0,0,0,0|2,0,1]=4 198 B8R0.25 C=CCNS(=O)(=O)CC WXVL_AK00561HU0028 [0,1,0,0,0,0|2,0,0]=3 199 B8R0.25 C=CCNS(=O)(=O)CC WXVL_AK00561HU0028 [0,1,0,0,0,0|2,0,0]=3 200 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,0,0,1,0,0|1,0,2]=4 201 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,0,0,1,0,0|1,0,2]=4 202 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [2,0,0,0,0,0|1,0,0]=3 203 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [2,0,0,0,0,0|1,0,0]=3 204 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|1,0,1]=4 205 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|1,0,1]=4 206 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [2,0,0,0,0,0|1,0,0]=3 207 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [2,0,0,0,0,0|1,0,0]=3 208 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [2,0,0,0,0,0|2,0,0]=4 209 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [2,0,0,0,0,0|2,0,0]=4 210 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [1,1,0,0,0,0|1,0,1]=4 211 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [1,1,0,0,0,0|1,0,1]=4 212 B7R0.2 COC(=O)CC(=O)N WXVL_AK0084SB2790 [1,1,0,0,0,0|2,0,0]=4 213 B7R0.2 COC(=O)CC(=O)N WXVL_AK0084SB2790 [1,1,0,0,0,0|2,0,0]=4 214 B7R0.5 C=CCC(=O)N(C)C WXVL_AN0032SB2732 [1,1,0,0,0,0|1,0,0]=3 215 B7R0.5 C=CCC(=O)N(C)C WXVL_AN0032SB2732 [1,1,0,0,0,0|1,0,0]=3 216 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [1,1,0,0,0,0|1,0,1]=4 217 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [1,1,0,0,0,0|1,0,1]=4 218 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [1,1,0,0,0,0|1,0,1]=4 219 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [1,1,0,0,0,0|1,0,1]=4 220 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [1,1,0,0,0,0|1,0,1]=4 222 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [1,1,0,0,0,0|0,0,2]=4 223 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [1,1,0,0,0,0|0,0,2]=4 224 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,1,0,0,0,0|0,0,2]=4 225 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,1,0,0,0,0|0,0,2]=4 226 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [1,1,0,0,0,0|0,0,0]=2 227 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [1,1,0,0,0,0|0,0,0]=2 228 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|0,0,2]=4 229 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|0,0,2]=4 230 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [1,1,0,0,0,0|1,0,1]=4 231 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [1,1,0,0,0,0|1,0,1]=4 232 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [1,1,0,0,0,0|1,0,1]=4 233 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [1,1,0,0,0,0|1,0,1]=4 234 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [1,1,0,0,0,0|1,0,1]=4 235 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [1,1,0,0,0,0|1,0,1]=4 236 B7R0.11 C=CCS(=O)(=O)NC WXVL_AK00442HU0152 [1,1,0,0,0,0|2,0,0]=4 237 B7R0.11 C=CCS(=O)(=O)NC WXVL_AK00442HU0152 [1,1,0,0,0,0|2,0,0]=4 238 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [1,1,0,0,0,0|2,0,0]=4 239 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [1,1,0,0,0,0|2,0,0]=4 240 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [1,1,0,0,0,0|1,0,0]=3 241 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [1,1,0,0,0,0|1,0,0]=3 242 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [1,1,0,0,0,0|1,0,0]=3 243 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [1,1,0,0,0,0|1,0,0]=3 244 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [1,1,0,0,0,0|2,0,0]=4 245 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [1,1,0,0,0,0|2,0,0]=4 246 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0084SB0357 [1,1,0,0,0,0|2,0,0]=4 247 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0084SB0357 [1,1,0,0,0,0|2,0,0]=4 248 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0147SB0150 [1,1,0,0,0,0|2,0,0]=4 249 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0147SB0150 [1,1,0,0,0,0|2,0,0]=4 250 B7R0.6 CC(=O)OCC(=O)N WXVL_AK0084SB2824 [1,1,0,0,0,0|1,1,0]=4 251 B7R0.6 CC(=O)OCC(=O)N WXVL_AK0084SB2824 [1,1,0,0,0,0|1,1,0]=4 252 B7R0.6 CC(=O)SCC(=O)N WXVL_AK0084SB3992 [1,1,0,0,0,0|1,0,0]=3 253 B7R0.6 CC(=O)SCC(=O)N WXVL_AK0084SB3992 [1,1,0,0,0,0|1,0,0]=3 254 B9R0.4 C=CCCC(=O)NC(C)C WXVL_AK0030SB1035 [0,2,0,0,0,0|1,0,0]=3 255 B9R0.4 C=CCCC(=O)NC(C)C WXVL_AK0030SB1035 [0,2,0,0,0,0|1,0,0]=3 256 B9R0.4 C=CCNC(=O)C=C(C)C WXVL_AK00561SB0342 [0,2,0,0,0,0|1,0,1]=4 257 B9R0.4 C=CCNC(=O)C=C(C)C WXVL_AK00561SB0342 [0,2,0,0,0,0|1,0,1]=4 258 B9R0.4 C=CCNC(=O)CC(C)C WXVL_AK00561SB0063 [0,2,0,0,0,0|1,0,0]=3 259 B9R0.4 C=CCNC(=O)CC(C)C WXVL_AK00561SB0063 [0,2,0,0,0,0|1,0,0]=3 260 B9R0.4 C=CCNC(=O)CC(C)O WXVL_AK00561SB3643 [0,2,0,0,0,0|1,0,0]=3 261 B9R0.4 C=CCNC(=O)CC(C)O WXVL_AK00561SB3643 [0,2,0,0,0,0|1,0,0]=3 262 B9R0.4 C=CCNC(=O)CN(C)C WXVL_AK00561SB0085 [0,2,0,0,0,0|1,0,0]=3 263 B9R0.4 C=CCNC(=O)CN(C)C WXVL_AK00561SB0085 [0,2,0,0,0,0|1,0,0]=3 264 B9R0.5 C#CCC(=O)NCCC=C WXVL_AK00138SB3070 [0,2,0,0,0,0|1,0,1]=4 265 B9R0.5 C#CCC(=O)NCCC=C WXVL_AK00138SB3070 [0,2,0,0,0,0|1,0,1]=4 266 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,2,0,0,0,0|1,0,1]=4 267 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,2,0,0,0,0|1,0,1]=4 268 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,2,0,0,0,0|1,0,0]=3 269 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,2,0,0,0,0|1,0,0]=3 270 B9R0.5 C=CCCNC(=O)/C=C/C WXVL_AK00138SB0340 [0,2,0,0,0,0|1,0,1]=4 271 B9R0.5 C=CCCNC(=O)/C=C/C WXVL_AK00138SB0340 [0,2,0,0,0,0|1,0,1]=4 272 B9R0.5 C=CCCNC(=O)C#CC WXVL_AK00138SB1240 [0,2,0,0,0,0|1,0,1]=4 273 B9R0.5 C=CCCNC(=O)C#CC WXVL_AK00138SB1240 [0,2,0,0,0,0|1,0,1]=4 274 B9R0.5 C=CCCNC(=O)CC#N WXVL_AK00138SB0057 [0,2,0,0,0,0|1,0,1]=4 275 B9R0.5 C=CCCNC(=O)CC#N WXVL_AK00138SB0057 [0,2,0,0,0,0|1,0,1]=4 276 B9R0.5 C=CCCNC(=O)CC=C WXVL_AK00138SB2732 [0,2,0,0,0,0|1,0,1]=4 277 B9R0.5 C=CCCNC(=O)CC=C WXVL_AK00138SB2732 [0,2,0,0,0,0|1,0,1]=4 278 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,2,0,0,0,0|1,0,0]=3 279 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,2,0,0,0,0|1,0,0]=3 280 B9R0.5 C=CCCNC(=O)COC WXVL_AK00138SB0090 [0,2,0,0,0,0|1,0,0]=3 281 B9R0.5 C=CCCNC(=O)COC WXVL_AK00138SB0090 [0,2,0,0,0,0|1,0,0]=3 282 B9R0.5 C=CCCNC(=O)CSC WXVL_AK00138SB1267 [0,2,0,0,0,0|1,0,0]=3 283 B9R0.5 C=CCCNC(=O)CSC WXVL_AK00138SB1267 [0,2,0,0,0,0|1,0,0]=3 284 B9R0.8 C=CCNC(=O)/C(=C/C)/C WXVL_AK00561SB0343 [0,2,0,0,0,0|1,0,1]=4 285 B9R0.8 C=CCNC(=O)/C(=C/C)/C WXVL_AK00561SB0343 [0,2,0,0,0,0|1,0,1]=4 286 B9R0.8 C=CCNC(=O)C(=O)CC WXVL_AK00561SB0344 [0,2,0,0,0,0|1,0,0]=3 287 B9R0.8 C=CCNC(=O)C(=O)CC WXVL_AK00561SB0344 [0,2,0,0,0,0|1,0,0]=3 288 B9R0.8 C=CCNC(=O)C(C)CC WXVL_AK00561SB0054 [0,2,0,0,0,0|1,0,0]=3 289 B9R0.8 C=CCNC(=O)C(C)CC WXVL_AK00561SB0054 [0,2,0,0,0,0|1,0,0]=3 290 B9R0.8 C=CCNC(=O)[C@@H](C)OC WXVL_AK00561SB2926 [0,2,0,0,0,0|1,0,0]=3 291 B9R0.8 C=CCNC(=O)[C@@H](C)OC WXVL_AK00561SB2926 [0,2,0,0,0,0|1,0,0]=3 292 B9R0.8 C=CCNC(=O)[C@@H](O)CC WXVL_AK00561SB3573 [0,2,0,0,0,0|1,0,0]=3 293 B9R0.8 C=CCNC(=O)[C@@H](O)CC WXVL_AK00561SB3573 [0,2,0,0,0,0|1,0,0]=3 294 B9R0.8 C=CCNC(=O)[C@H](C)CC WXVL_AK00561SB00054 [0,2,0,0,0,0|1,0,0]=3 295 B9R0.8 C=CCNC(=O)[C@H](C)CC WXVL_AK00561SB00054 [0,2,0,0,0,0|1,0,0]=3 296 B9R0.8 C=CCOC(C)C(=O)NC WXVL_AK00442SBD933 [0,2,0,0,0,0|1,1,0]=4 297 B9R0.8 C=CCOC(C)C(=O)NC WXVL_AK00442SBD933 [0,2,0,0,0,0|1,1,0]=4 298 B9R0.18 C#CCCC(=O)NCC=C WXVL_AK00561SB2189 [0,2,0,0,0,0|1,0,0]=3 299 B9R0.18 C#CCCC(=O)NCC=C WXVL_AK00561SB2189 [0,2,0,0,0,0|1,0,0]=3 300 B9R0.18 C=CCCC(=O)NCC#N WXVL_AK0683SB1035 [0,2,0,0,0,0|1,0,1]=4 301 B9R0.18 C=CCCC(=O)NCC#N WXVL_AK0683SB1035 [0,2,0,0,0,0|1,0,1]=4 302 B9R0.18 C=CCCC(=O)NCC=C WXVL_AK00561SB1035 [0,2,0,0,0,0|1,0,0]=3 303 B9R0.18 C=CCCC(=O)NCC=C WXVL_AK00561SB1035 [0,2,0,0,0,0|1,0,0]=3 304 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [0,2,0,0,0,0|1,0,0]=3 305 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [0,2,0,0,0,0|1,0,0]=3 306 B9R0.18 C=CCCC(=O)NCCF WXVL_AK00466SB1035 [0,2,0,0,0,0|1,0,0]=3 307 B9R0.18 C=CCCC(=O)NCCF WXVL_AK00466SB1035 [0,2,0,0,0,0|1,0,0]=3 308 B9R0.18 C=CCNC(=O)/C=C/CBr WXVL_AK00561SB0424 [0,2,0,0,0,0|1,0,1]=4 309 B9R0.18 C=CCNC(=O)/C=C/CBr WXVL_AK00561SB0424 [0,2,0,0,0,0|1,0,1]=4 310 B9R0.18 C=CCNC(=O)CCOC WXVL_AK00561SB0156 [0,2,0,0,0,0|1,0,0]=3 311 B9R0.18 C=CCNC(=O)CCOC WXVL_AK00561SB0156 [0,2,0,0,0,0|1,0,0]=3 312 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [0,2,0,0,0,0|1,0,0]=3 313 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [0,2,0,0,0,0|1,0,0]=3 314 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [0,2,0,0,0,0|1,0,0]=3 315 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [0,2,0,0,0,0|1,0,0]=3 316 B9R0.18 C=CCNC(=O)CSCC WXVL_AK00561SB0002 [0,2,0,0,0,0|1,0,0]=3 317 B9R0.18 C=CCNC(=O)CSCC WXVL_AK00561SB0002 [0,2,0,0,0,0|1,0,0]=3 318 B9R0.18 C=CCNC(=O)NCCCl WXVL_AK00561YV0092 [0,2,0,0,0,0|1,0,0]=3 319 B9R0.18 C=CCNC(=O)NCCCl WXVL_AK00561YV0092 [0,2,0,0,0,0|1,0,0]=3 320 B9R0.34 C#CCC(=O)NC(C)C=C WXVL_AK00769SB3070 [0,2,0,0,0,0|1,0,1]=4 321 B9R0.34 C#CCC(=O)NC(C)C=C WXVL_AK00769SB3070 [0,2,0,0,0,0|1,0,1]=4 322 B9R0.34 C=CC(C)NC(=O)/C=C/C WXVL_AK00769SB0340 [0,2,0,0,0,0|1,0,1]=4 323 B9R0.34 C=CC(C)NC(=O)/C=C/C WXVL_AK00769SB0340 [0,2,0,0,0,0|1,0,1]=4 324 B9R0.34 C=CC(C)NC(=O)C#CC WXVL_AK00769SB1240 [0,2,0,0,0,0|1,0,1]=4 325 B9R0.34 C=CC(C)NC(=O)C#CC WXVL_AK00769SB1240 [0,2,0,0,0,0|1,0,1]=4 326 B9R0.34 C=CC(C)NC(=O)CC#N WXVL_AK00769SB0057 [0,2,0,0,0,0|1,0,1]=4 327 B9R0.34 C=CC(C)NC(=O)CC#N WXVL_AK00769SB0057 [0,2,0,0,0,0|1,0,1]=4 328 B9R0.34 C=CC(C)NC(=O)CCC WXVL_AK00769SB0073 [0,2,0,0,0,0|1,0,0]=3 329 B9R0.34 C=CC(C)NC(=O)CCC WXVL_AK00769SB0073 [0,2,0,0,0,0|1,0,0]=3 330 B9R0.34 C=CC(C)NC(=O)COC WXVL_AK00769SB0090 [0,2,0,0,0,0|1,0,0]=3 331 B9R0.34 C=CC(C)NC(=O)COC WXVL_AK00769SB0090 [0,2,0,0,0,0|1,0,0]=3 332 B9R0.34 C=CC(C)NC(=O)CSC WXVL_AK00769SB1267 [0,2,0,0,0,0|1,0,0]=3 333 B9R0.34 C=CC(C)NC(=O)CSC WXVL_AK00769SB1267 [0,2,0,0,0,0|1,0,0]=3 334 B9R0.34 C=CCC(=O)NC(C)C=C WXVL_AK00769SB2732 [0,2,0,0,0,0|1,0,1]=4 335 B9R0.34 C=CCC(=O)NC(C)C=C WXVL_AK00769SB2732 [0,2,0,0,0,0|1,0,1]=4 336 B9R0.48 C#CCC(=O)NCC(=C)C WXVL_AK0761SB3070 [0,2,0,0,0,0|1,0,1]=4 337 B9R0.48 C#CCC(=O)NCC(=C)C WXVL_AK0761SB3070 [0,2,0,0,0,0|1,0,1]=4 338 B9R0.48 C=C(C)CNC(=O)/C=C/C WXVL_AK0761SB0340 [0,2,0,0,0,0|1,0,1]=4 339 B9R0.48 C=C(C)CNC(=O)/C=C/C WXVL_AK0761SB0340 [0,2,0,0,0,0|1,0,1]=4 340 B9R0.48 C=C(C)CNC(=O)C#CC WXVL_AK0761SB1240 [0,2,0,0,0,0|1,0,1]=4 341 B9R0.48 C=C(C)CNC(=O)C#CC WXVL_AK0761SB1240 [0,2,0,0,0,0|1,0,1]=4 342 B9R0.48 C=C(C)CNC(=O)CC#N WXVL_AK0761SB0057 [0,2,0,0,0,0|1,0,1]=4 343 B9R0.48 C=C(C)CNC(=O)CC#N WXVL_AK0761SB0057 [0,2,0,0,0,0|1,0,1]=4 344 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [0,2,0,0,0,0|1,0,0]=3 345 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [0,2,0,0,0,0|1,0,0]=3 346 B9R0.48 C=C(C)CNC(=O)COC WXVL_AK0761SB0090 [0,2,0,0,0,0|1,0,0]=3 347 B9R0.48 C=C(C)CNC(=O)COC WXVL_AK0761SB0090 [0,2,0,0,0,0|1,0,0]=3 348 B9R0.48 C=C(C)CNC(=O)CSC WXVL_AK0761SB1267 [0,2,0,0,0,0|1,0,0]=3 349 B9R0.48 C=C(C)CNC(=O)CSC WXVL_AK0761SB1267 [0,2,0,0,0,0|1,0,0]=3 350 B9R0.48 C=CCC(=O)NCC(=C)C WXVL_AK0761SB2732 [0,2,0,0,0,0|1,0,1]=4 351 B9R0.48 C=CCC(=O)NCC(=C)C WXVL_AK0761SB2732 [0,2,0,0,0,0|1,0,1]=4 352 B9R0.48 CCCC(=O)NCC(=O)N WXVL_AK0147SB0073 [0,2,0,0,0,0|2,0,0]=4 353 B9R0.48 CCCC(=O)NCC(=O)N WXVL_AK0147SB0073 [0,2,0,0,0,0|2,0,0]=4 354 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,2,0,0,0,0|1,0,1]=4 355 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,2,0,0,0,0|1,0,1]=4 356 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [0,2,0,0,0,0|2,0,0]=4 357 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [0,2,0,0,0,0|2,0,0]=4 358 B9R0.48 COCC(=O)NCC(=O)N WXVL_AK0147SB0090 [0,2,0,0,0,0|2,0,0]=4 359 B9R0.48 COCC(=O)NCC(=O)N WXVL_AK0147SB0090 [0,2,0,0,0,0|2,0,0]=4 360 B9R0.48 CSCC(=O)NCC(=O)N WXVL_AK0147SB1267 [0,2,0,0,0,0|2,0,0]=4 361 B9R0.48 CSCC(=O)NCC(=O)N WXVL_AK0147SB1267 [0,2,0,0,0,0|2,0,0]=4 362 B9R0.66 C=CCNS(=O)(=O)CCBr WXVL_AK00561HU0461 [0,2,0,0,0,0|2,0,0]=4 363 B9R0.66 C=CCNS(=O)(=O)CCBr WXVL_AK00561HU0461 [0,2,0,0,0,0|2,0,0]=4 364 B9R0.66 C=CCNS(=O)(=O)CCC WXVL_AK00561HU0030 [0,2,0,0,0,0|2,0,0]=4 365 B9R0.66 C=CCNS(=O)(=O)CCC WXVL_AK00561HU0030 [0,2,0,0,0,0|2,0,0]=4 366 B9R0.66 C=CCNS(=O)(=O)CCCl WXVL_AK00561HU0029 [0,2,0,0,0,0|2,0,0]=4 367 B9R0.66 C=CCNS(=O)(=O)CCCl WXVL_AK00561HU0029 [0,2,0,0,0,0|2,0,0]=4 368 B9R0.60 C=CCC(C)(C)C(=O)NC WXVL_AK00442SB0363 [0,2,0,0,0,0|2,0,0]=4 369 B9R0.60 C=CCC(C)(C)C(=O)NC WXVL_AK00442SB0363 [0,2,0,0,0,0|2,0,0]=4 370 B9R0.1 CCC(=O)NCCC(=O)N WXVL_AK00443SB0064 [0,2,0,0,0,0|1,0,1]=4 371 B9R0.1 CCC(=O)NCCC(=O)N WXVL_AK00443SB0064 [0,2,0,0,0,0|1,0,1]=4 372 B9R0.1 CNC(=O)CCC=C(C)C WXVL_AK00442SB00030 [0,2,0,0,0,0|2,0,0]=4 373 B9R0.1 CNC(=O)CCC=C(C)C WXVL_AK00442SB00030 [0,2,0,0,0,0|2,0,0]=4 374 B9R0.20 C=CCCNS(=O)(=O)CC WXVL_AK00138HU0028 [0,2,0,0,0,0|2,0,0]=4 375 B9R0.20 C=CCCNS(=O)(=O)CC WXVL_AK00138HU0028 [0,2,0,0,0,0|2,0,0]=4 376 B9R0.24 CCC(=O)NCC(=O)NC WXVL_AK1222SB0064 [0,2,0,0,0,0|1,0,1]=4 377 B9R0.24 CCC(=O)NCC(=O)NC WXVL_AK1222SB0064 [0,2,0,0,0,0|1,0,1]=4 378 B9R0.47 C=CCCCC(=O)N(C)C WXVL_AN0032SB2920 [0,2,0,0,0,0|2,0,0]=4 379 B9R0.47 C=CCCCC(=O)N(C)C WXVL_AN0032SB2920 [0,2,0,0,0,0|2,0,0]=4 380 B9R0.47 C=CCCNC(=O)C(=O)C WXVL_AK00138SB0051 [0,2,0,0,0,0|1,0,1]=4 381 B9R0.47 C=CCCNC(=O)C(=O)C WXVL_AK00138SB0051 [0,2,0,0,0,0|1,0,1]=4 382 B9R0.47 C=CCCNC(=O)C(C)C WXVL_AK00138SB0052 [0,2,0,0,0,0|1,0,0]=3 383 B9R0.47 C=CCCNC(=O)C(C)C WXVL_AK00138SB0052 [0,2,0,0,0,0|1,0,0]=3 384 B9R0.47 C=CCCNC(=O)C(C)S WXVL_AK00138SB2708 [0,2,0,0,0,0|1,0,0]=3 385 B9R0.47 C=CCCNC(=O)C(C)S WXVL_AK00138SB2708 [0,2,0,0,0,0|1,0,0]=3 386 B9R0.47 C=CCCNC(=O)C(F)F WXVL_AK00138SB0079 [0,2,0,0,0,0|2,0,0]=4 387 B9R0.47 C=CCCNC(=O)C(F)F WXVL_AK00138SB0079 [0,2,0,0,0,0|2,0,0]=4 388 B9R0.47 C=CCCNC(=O)[C@@H](C)O WXVL_AK00138SB1085 [0,2,0,0,0,0|1,0,0]=3 389 B9R0.47 C=CCCNC(=O)[C@@H](C)O WXVL_AK00138SB1085 [0,2,0,0,0,0|1,0,0]=3 390 B9R0.3 C=CCNC(=O)C(C)(C)Br WXVL_AK00561SB0432 [0,2,0,0,0,0|1,0,0]=3 391 B9R0.3 C=CCNC(=O)C(C)(C)Br WXVL_AK00561SB0432 [0,2,0,0,0,0|1,0,0]=3 392 B9R0.3 C=CCNC(=O)C(C)(C)C WXVL_AK00561SB0078 [0,2,0,0,0,0|1,0,0]=3 393 B9R0.3 C=CCNC(=O)C(C)(C)C WXVL_AK00561SB0078 [0,2,0,0,0,0|1,0,0]=3 394 B9R0.3 C=CCNC(=O)C(C)(C)F WXVL_AK00561SB0199 [0,2,0,0,0,0|1,0,0]=3 395 B9R0.3 C=CCNC(=O)C(C)(C)F WXVL_AK00561SB0199 [0,2,0,0,0,0|1,0,0]=3 396 B9R0.3 C=CCNC(=O)C(C)(C)O WXVL_AK00561SB0125 [0,2,0,0,0,0|1,0,0]=3 397 B9R0.3 C=CCNC(=O)C(C)(C)O WXVL_AK00561SB0125 [0,2,0,0,0,0|1,0,0]=3 398 B9R0.3 C=CCNC(=O)C(C)(F)F WXVL_AK00561SB0197 [0,2,0,0,0,0|1,0,0]=3 399 B9R0.3 C=CCNC(=O)C(C)(F)F WXVL_AK00561SB0197 [0,2,0,0,0,0|1,0,0]=3 400 B9R0.3 C=CCNC(=O)C(Cl)(Cl)Cl WXVL_AK00561SB0416 [0,2,0,0,0,0|2,0,0]=4 401 B9R0.3 C=CCNC(=O)C(Cl)(Cl)Cl WXVL_AK00561SB0416 [0,2,0,0,0,0|2,0,0]=4 402 B9R0.3 C=CCNC(=O)C(F)(F)Cl WXVL_AK00561SB3129 [0,2,0,0,0,0|2,0,0]=4 403 B9R0.3 C=CCNC(=O)C(F)(F)Cl WXVL_AK00561SB3129 [0,2,0,0,0,0|2,0,0]=4 404 B9R0.7 C=C(C)CNC(=O)C(=O)C WXVL_AK0761SB0051 [0,2,0,0,0,0|1,0,1]=4 405 B9R0.7 C=C(C)CNC(=O)C(=O)C WXVL_AK0761SB0051 [0,2,0,0,0,0|1,0,1]=4 406 B9R0.7 C=C(C)CNC(=O)C(C)C WXVL_AK0761SB0052 [0,2,0,0,0,0|1,0,0]=3 407 B9R0.7 C=C(C)CNC(=O)C(C)C WXVL_AK0761SB0052 [0,2,0,0,0,0|1,0,0]=3 408 B9R0.7 C=C(C)CNC(=O)C(C)S WXVL_AK0761SB2708 [0,2,0,0,0,0|1,0,0]=3 409 B9R0.7 C=C(C)CNC(=O)C(C)S WXVL_AK0761SB2708 [0,2,0,0,0,0|1,0,0]=3 410 B9R0.7 C=C(C)CNC(=O)C(F)F WXVL_AK0761SB0079 [0,2,0,0,0,0|2,0,0]=4 411 B9R0.7 C=C(C)CNC(=O)C(F)F WXVL_AK0761SB0079 [0,2,0,0,0,0|2,0,0]=4 412 B9R0.7 C=C(C)CNC(=O)[C@@H](C)O WXVL_AK0761SB1085 [0,2,0,0,0,0|1,0,0]=3 413 B9R0.7 C=C(C)CNC(=O)[C@@H](C)O WXVL_AK0761SB1085 [0,2,0,0,0,0|1,0,0]=3 414 B9R0.7 CC(C)C(=O)NCC(=O)N WXVL_AK0147SB0052 [0,2,0,0,0,0|2,0,0]=4 415 B9R0.7 CC(C)C(=O)NCC(=O)N WXVL_AK0147SB0052 [0,2,0,0,0,0|2,0,0]=4 416 B9R0.7 CC(S)C(=O)NCC(=O)N WXVL_AK0147SB2708 [0,2,0,0,0,0|2,0,0]=4 417 B9R0.7 CC(S)C(=O)NCC(=O)N WXVL_AK0147SB2708 [0,2,0,0,0,0|2,0,0]=4 418 B9R0.7 C[C@@H](O)C(=O)NCC(=O)N WXVL_AK0147SB1085 [0,2,0,0,0,0|2,0,0]=4 419 B9R0.7 C[C@@H](O)C(=O)NCC(=O)N WXVL_AK0147SB1085 [0,2,0,0,0,0|2,0,0]=4 420 B9R0.42 C=CC(C)NC(=O)C(=O)C WXVL_AK00769SB0051 [0,2,0,0,0,0|1,0,1]=4 421 B9R0.42 C=CC(C)NC(=O)C(=O)C WXVL_AK00769SB0051 [0,2,0,0,0,0|1,0,1]=4 422 B9R0.42 C=CC(C)NC(=O)C(C)C WXVL_AK00769SB0052 [0,2,0,0,0,0|1,0,0]=3 423 B9R0.42 C=CC(C)NC(=O)C(C)C WXVL_AK00769SB0052 [0,2,0,0,0,0|1,0,0]=3 424 B9R0.42 C=CC(C)NC(=O)C(C)S WXVL_AK00769SB2708 [0,2,0,0,0,0|1,0,0]=3 425 B9R0.42 C=CC(C)NC(=O)C(C)S WXVL_AK00769SB2708 [0,2,0,0,0,0|1,0,0]=3 426 B9R0.42 C=CC(C)NC(=O)C(F)F WXVL_AK00769SB0079 [0,2,0,0,0,0|2,0,0]=4 427 B9R0.42 C=CC(C)NC(=O)C(F)F WXVL_AK00769SB0079 [0,2,0,0,0,0|2,0,0]=4 428 B9R0.42 C=CC(C)NC(=O)[C@@H](C)O WXVL_AK00769SB1085 [0,2,0,0,0,0|1,0,0]=3 429 B9R0.42 C=CC(C)NC(=O)[C@@H](C)O WXVL_AK00769SB1085 [0,2,0,0,0,0|1,0,0]=3 430 B9R0.42 CCC(=O)N[C@H](C)C(=O)N WXVL_AK6986SB0064 [0,2,0,0,0,0|2,0,0]=4 431 B9R0.42 CCC(=O)N[C@H](C)C(=O)N WXVL_AK6986SB0064 [0,2,0,0,0,0|2,0,0]=4 432 B9R0.51 C=CCNS(=O)(=O)C(C)C WXVL_AK00561HU0023 [0,2,0,0,0,0|2,0,0]=4 433 B9R0.51 C=CCNS(=O)(=O)C(C)C WXVL_AK00561HU0023 [0,2,0,0,0,0|2,0,0]=4 434 B9R0.64 C=C(C)CNS(=O)(=O)CC WXVL_AK0761HU0028 [0,2,0,0,0,0|2,0,0]=4 435 B9R0.64 C=C(C)CNS(=O)(=O)CC WXVL_AK0761HU0028 [0,2,0,0,0,0|2,0,0]=4 436 B9R0.26 C=C[C@@H](CO)NC(=O)CC WXVL_AK00581SB0064 [0,2,0,0,0,0|1,0,0]=3 437 B9R0.26 C=C[C@@H](CO)NC(=O)CC WXVL_AK00581SB0064 [0,2,0,0,0,0|1,0,0]=3 438 B9R0.26 C=C[C@@H](CO)NC(=O)CO WXVL_AK00581SB2706 [0,2,0,0,0,0|2,0,0]=4 439 B9R0.26 C=C[C@@H](CO)NC(=O)CO WXVL_AK00581SB2706 [0,2,0,0,0,0|2,0,0]=4 440 B9R0.22 C=CC(C)NS(=O)(=O)CC WXVL_AK00769HU0028 [0,2,0,0,0,0|2,0,0]=4 441 B9R0.22 C=CC(C)NS(=O)(=O)CC WXVL_AK00769HU0028 [0,2,0,0,0,0|2,0,0]=4 442 B9R1.100 C=CCNC(=O)C1CC1 WXVL_AK00561SB0038 [0,1,0,1,0,0|1,0,0]=3 443 B9R1.100 C=CCNC(=O)C1CC1 WXVL_AK00561SB0038 [0,1,0,1,0,0|1,0,0]=3 444 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [0,1,0,1,0,0|1,0,1]=4 445 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [0,1,0,1,0,0|1,0,1]=4 446 B9R1.11 CNC(=O)c1ccns1 WXVL_AK00442SC0027 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.11 CNC(=O)c1ccns1 WXVL_AK00442SC0027 [0,1,0,1,0,0|2,0,0]=4 448 B9R1.82 C=C1CC(C1)C(=O)NC WXVL_AK00442SB0804 [0,1,0,1,0,0|2,0,0]=4 449 B9R1.82 C=C1CC(C1)C(=O)NC WXVL_AK00442SB0804 [0,1,0,1,0,0|2,0,0]=4 450 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 WXVL_AK0084SB0126 [0,1,0,1,0,0|2,0,0]=4 451 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 WXVL_AK0084SB0126 [0,1,0,1,0,0|2,0,0]=4