0 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,0,0,0,0,0|1,0,2]=4 22 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,0,0,0,0,0|2,0,0]=3 38 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [0,1,0,0,0,0|1,0,2]=4 39 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [0,1,0,0,0,0|1,0,2]=4 40 B8R0.1 C#CCC(=O)NCCF WXVL_AK00466SB3070 [0,1,0,0,0,0|1,0,2]=4 41 B8R0.1 C#CCC(=O)NCCF WXVL_AK00466SB3070 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,1,0,0,0,0|1,0,1]=3 43 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,1,0,0,0,0|1,0,1]=3 44 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,1,0,0,0,0|1,0,1]=3 45 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.1 C/C=C/C(=O)NCCF WXVL_AK00466SB0340 [0,1,0,0,0,0|1,0,2]=4 47 B8R0.1 C/C=C/C(=O)NCCF WXVL_AK00466SB0340 [0,1,0,0,0,0|1,0,2]=4 48 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,1,0,0,0,0|1,0,2]=4 49 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,1,0,0,0,0|1,0,2]=4 50 B8R0.1 C=CCC(=O)NCCF WXVL_AK00466SB2732 [0,1,0,0,0,0|1,0,2]=4 51 B8R0.1 C=CCC(=O)NCCF WXVL_AK00466SB2732 [0,1,0,0,0,0|1,0,2]=4 52 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,1,0,0,0,0|1,0,1]=3 53 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,1,0,0,0,0|1,0,1]=3 54 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,1,0,0,0,0|1,0,1]=3 55 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,1,0,0,0,0|1,0,1]=3 56 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,1,0,0,0,0|2,0,1]=4 58 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,1,0,0,0,0|1,0,1]=3 61 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,1,0,0,0,0|1,0,1]=3 62 B8R0.1 CC#CC(=O)NCCF WXVL_AK00466SB1240 [0,1,0,0,0,0|1,0,2]=4 63 B8R0.1 CC#CC(=O)NCCF WXVL_AK00466SB1240 [0,1,0,0,0,0|1,0,2]=4 64 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [0,1,0,0,0,0|1,0,1]=3 65 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [0,1,0,0,0,0|1,0,1]=3 66 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,1,0,0,0,0|1,0,0]=2 67 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,1,0,0,0,0|1,0,0]=2 71 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,1,0,0,0,0|1,0,0]=2 72 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,1,0,0,0,0|2,0,0]=3 73 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,1,0,0,0,0|2,0,0]=3 74 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,1,0,0,0,0|2,0,0]=3 75 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,1,0,0,0,0|2,0,0]=3 76 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [0,1,0,0,0,0|1,0,2]=4 77 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [0,1,0,0,0,0|1,0,2]=4 78 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,1,0,0,0,0|1,0,0]=2 79 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,1,0,0,0,0|1,0,0]=2 80 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,1,0,0,0,0|1,0,0]=2 81 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,1,0,0,0,0|1,0,0]=2 82 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,1,0,0,0,0|1,0,0]=2 83 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,1,0,0,0,0|1,0,0]=2 84 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,1,0,0,0,0|1,0,0]=2 85 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,1,0,0,0,0|1,0,0]=2 86 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [0,1,0,0,0,0|2,0,0]=3 87 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [0,1,0,0,0,0|2,0,0]=3 88 B8R0.1 COCC(=O)NCC#N WXVL_AK0683SB0090 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.1 COCC(=O)NCC#N WXVL_AK0683SB0090 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,1,0,0,0,0|2,0,0]=3 91 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,1,0,0,0,0|2,0,0]=3 92 B8R0.1 CSCC(=O)NCC#N WXVL_AK0683SB1267 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.1 CSCC(=O)NCC#N WXVL_AK0683SB1267 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [0,1,0,0,0,0|2,0,0]=3 96 B8R0.1 N#CCC(=O)NCCF WXVL_AK00466SB0057 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.1 N#CCC(=O)NCCF WXVL_AK00466SB0057 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.3 C/C=C(\C)/C(=O)NCC WXVL_AK00476SB0343 [0,1,0,0,0,0|1,0,2]=4 99 B8R0.3 C/C=C(\C)/C(=O)NCC WXVL_AK00476SB0343 [0,1,0,0,0,0|1,0,2]=4 100 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,1,0,0,0,0|1,0,1]=3 101 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,1,0,0,0,0|1,0,1]=3 102 B8R0.3 CCNC(=O)C(C)CC WXVL_AK00476SB0054 [0,1,0,0,0,0|1,0,0]=2 103 B8R0.3 CCNC(=O)C(C)CC WXVL_AK00476SB0054 [0,1,0,0,0,0|1,0,0]=2 104 B8R0.3 CCNC(=O)[C@@H](C)OC WXVL_AK00476SB2926 [0,1,0,0,0,0|2,0,0]=3 105 B8R0.3 CCNC(=O)[C@@H](C)OC WXVL_AK00476SB2926 [0,1,0,0,0,0|2,0,0]=3 106 B8R0.3 CCNC(=O)[C@@H](O)CC WXVL_AK00476SB3573 [0,1,0,0,0,0|1,0,0]=2 107 B8R0.3 CCNC(=O)[C@@H](O)CC WXVL_AK00476SB3573 [0,1,0,0,0,0|1,0,0]=2 108 B8R0.3 CCNC(=O)[C@H](C)CC WXVL_AK00476SB00054 [0,1,0,0,0,0|1,0,0]=2 109 B8R0.3 CCNC(=O)[C@H](C)CC WXVL_AK00476SB00054 [0,1,0,0,0,0|1,0,0]=2 110 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [0,1,0,0,0,0|1,0,1]=3 111 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [0,1,0,0,0,0|1,0,1]=3 112 B8R0.5 C#CCC(=O)NC(C)C WXVL_AK0030SB3070 [0,1,0,0,0,0|1,0,2]=4 113 B8R0.5 C#CCC(=O)NC(C)C WXVL_AK0030SB3070 [0,1,0,0,0,0|1,0,2]=4 114 B8R0.5 C/C=C/C(=O)NC(C)C WXVL_AK0030SB0340 [0,1,0,0,0,0|1,0,2]=4 115 B8R0.5 C/C=C/C(=O)NC(C)C WXVL_AK0030SB0340 [0,1,0,0,0,0|1,0,2]=4 116 B8R0.5 C=CCC(=O)NC(C)C WXVL_AK0030SB2732 [0,1,0,0,0,0|1,0,2]=4 117 B8R0.5 C=CCC(=O)NC(C)C WXVL_AK0030SB2732 [0,1,0,0,0,0|1,0,2]=4 118 B8R0.5 CC#CC(=O)NC(C)C WXVL_AK0030SB1240 [0,1,0,0,0,0|1,0,2]=4 119 B8R0.5 CC#CC(=O)NC(C)C WXVL_AK0030SB1240 [0,1,0,0,0,0|1,0,2]=4 120 B8R0.5 CC(C)NC(=O)CC#N WXVL_AK0030SB0057 [0,1,0,0,0,0|2,0,1]=4 121 B8R0.5 CC(C)NC(=O)CC#N WXVL_AK0030SB0057 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.5 CCCC(=O)NC(C)C WXVL_AK0030SB0073 [0,1,0,0,0,0|1,0,0]=2 123 B8R0.5 CCCC(=O)NC(C)C WXVL_AK0030SB0073 [0,1,0,0,0,0|1,0,0]=2 124 B8R0.5 CCNC(=O)C=C(C)C WXVL_AK00476SB0342 [0,1,0,0,0,0|1,0,2]=4 125 B8R0.5 CCNC(=O)C=C(C)C WXVL_AK00476SB0342 [0,1,0,0,0,0|1,0,2]=4 126 B8R0.5 CCNC(=O)CC(C)C WXVL_AK00476SB0063 [0,1,0,0,0,0|1,0,0]=2 127 B8R0.5 CCNC(=O)CC(C)C WXVL_AK00476SB0063 [0,1,0,0,0,0|1,0,0]=2 128 B8R0.5 CCNC(=O)CC(C)O WXVL_AK00476SB3643 [0,1,0,0,0,0|1,0,0]=2 129 B8R0.5 CCNC(=O)CC(C)O WXVL_AK00476SB3643 [0,1,0,0,0,0|1,0,0]=2 130 B8R0.5 CCNC(=O)CN(C)C WXVL_AK00476SB0085 [0,1,0,0,0,0|2,0,0]=3 131 B8R0.5 CCNC(=O)CN(C)C WXVL_AK00476SB0085 [0,1,0,0,0,0|2,0,0]=3 132 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [0,1,0,0,0,0|1,0,1]=3 133 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [0,1,0,0,0,0|1,0,1]=3 134 B8R0.5 COCC(=O)NC(C)C WXVL_AK0030SB0090 [0,1,0,0,0,0|2,0,0]=3 135 B8R0.5 COCC(=O)NC(C)C WXVL_AK0030SB0090 [0,1,0,0,0,0|2,0,0]=3 136 B8R0.5 CSCC(=O)NC(C)C WXVL_AK0030SB1267 [0,1,0,0,0,0|2,0,0]=3 137 B8R0.5 CSCC(=O)NC(C)C WXVL_AK0030SB1267 [0,1,0,0,0,0|2,0,0]=3 138 B8R0.30 CCCS(=O)(=O)NCC WXVL_AK00476HU0030 [0,1,0,0,0,0|2,0,0]=3 139 B8R0.30 CCCS(=O)(=O)NCC WXVL_AK00476HU0030 [0,1,0,0,0,0|2,0,0]=3 140 B8R0.30 CCNS(=O)(=O)CCBr WXVL_AK00476HU0461 [0,1,0,0,0,0|3,0,0]=4 141 B8R0.30 CCNS(=O)(=O)CCBr WXVL_AK00476HU0461 [0,1,0,0,0,0|3,0,0]=4 142 B8R0.30 CCNS(=O)(=O)CCCl WXVL_AK00476HU0029 [0,1,0,0,0,0|3,0,0]=4 143 B8R0.30 CCNS(=O)(=O)CCCl WXVL_AK00476HU0029 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.37 CCNC(=O)C1CC1 WXVL_AK00476SB0038 [0,0,0,1,0,0|1,0,0]=2 145 B8R1.37 CCNC(=O)C1CC1 WXVL_AK00476SB0038 [0,0,0,1,0,0|1,0,0]=2 146 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [2,0,0,0,0,0|1,0,0]=3 147 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [2,0,0,0,0,0|1,0,0]=3 148 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|1,0,0]=3 149 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|1,0,0]=3 150 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [2,0,0,0,0,0|2,0,0]=4 152 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [2,0,0,0,0,0|2,0,0]=4 153 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [2,0,0,0,0,0|1,0,0]=3 155 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [2,0,0,0,0,0|1,0,0]=3 156 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [2,0,0,0,0,0|2,0,0]=4 157 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [2,0,0,0,0,0|2,0,0]=4 158 B7R0.2 CC(C)NC(=O)CO WXVL_AK0030SB2706 [1,1,0,0,0,0|2,0,0]=4 159 B7R0.2 CC(C)NC(=O)CO WXVL_AK0030SB2706 [1,1,0,0,0,0|2,0,0]=4 160 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [1,1,0,0,0,0|1,0,0]=3 161 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [1,1,0,0,0,0|1,0,0]=3 162 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [1,1,0,0,0,0|1,0,0]=3 163 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [1,1,0,0,0,0|1,0,0]=3 164 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [1,1,0,0,0,0|1,0,0]=3 165 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [1,1,0,0,0,0|1,0,0]=3 166 B7R0.2 CNC(=O)CN(C)C WXVL_AK00442SB0085 [1,1,0,0,0,0|2,0,0]=4 167 B7R0.2 CNC(=O)CN(C)C WXVL_AK00442SB0085 [1,1,0,0,0,0|2,0,0]=4 168 B7R0.2 COC(=O)CC(=O)N WXVL_AK0084SB2790 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.2 COC(=O)CC(=O)N WXVL_AK0084SB2790 [1,1,0,0,0,0|1,0,1]=4 170 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [1,1,0,0,0,0|0,0,2]=4 171 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [1,1,0,0,0,0|0,0,2]=4 172 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [1,1,0,0,0,0|1,0,1]=4 173 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [1,1,0,0,0,0|1,0,1]=4 174 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [1,1,0,0,0,0|1,0,1]=4 175 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [1,1,0,0,0,0|1,0,1]=4 176 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [1,1,0,0,0,0|0,0,2]=4 177 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [1,1,0,0,0,0|0,0,2]=4 178 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [1,1,0,0,0,0|1,0,1]=4 180 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [1,1,0,0,0,0|1,0,0]=3 181 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [1,1,0,0,0,0|1,0,0]=3 182 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,1,0,0,0,0|0,0,0]=2 183 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,1,0,0,0,0|0,0,0]=2 184 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [1,1,0,0,0,0|1,0,0]=3 185 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [1,1,0,0,0,0|1,0,0]=3 186 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [1,1,0,0,0,0|1,0,0]=3 187 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [1,1,0,0,0,0|1,0,0]=3 188 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [1,1,0,0,0,0|1,0,0]=3 189 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [1,1,0,0,0,0|1,0,0]=3 190 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [1,1,0,0,0,0|1,0,0]=3 191 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [1,1,0,0,0,0|1,0,0]=3 192 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [1,1,0,0,0,0|1,0,0]=3 193 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [1,1,0,0,0,0|1,0,0]=3 194 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [1,1,0,0,0,0|2,0,0]=4 195 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [1,1,0,0,0,0|2,0,0]=4 196 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [1,1,0,0,0,0|2,0,0]=4 197 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [1,1,0,0,0,0|2,0,0]=4 198 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [1,1,0,0,0,0|1,0,0]=3 199 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [1,1,0,0,0,0|1,0,0]=3 200 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [1,1,0,0,0,0|1,0,1]=4 201 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [1,1,0,0,0,0|1,0,1]=4 202 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [1,1,0,0,0,0|1,0,0]=3 203 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [1,1,0,0,0,0|1,0,0]=3 204 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [1,1,0,0,0,0|1,0,0]=3 205 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [1,1,0,0,0,0|1,0,0]=3 206 B7R0.5 CCNC(=O)C(F)F WXVL_AK00476SB0079 [1,1,0,0,0,0|2,0,0]=4 207 B7R0.5 CCNC(=O)C(F)F WXVL_AK00476SB0079 [1,1,0,0,0,0|2,0,0]=4 208 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [1,1,0,0,0,0|1,0,0]=3 209 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [1,1,0,0,0,0|1,0,0]=3 210 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [1,1,0,0,0,0|1,0,1]=4 211 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [1,1,0,0,0,0|1,0,1]=4 212 B7R0.5 COCC(=O)N(C)C WXVL_AN0032SB0090 [1,1,0,0,0,0|2,0,0]=4 213 B7R0.5 COCC(=O)N(C)C WXVL_AN0032SB0090 [1,1,0,0,0,0|2,0,0]=4 214 B7R0.5 CSCC(=O)N(C)C WXVL_AN0032SB1267 [1,1,0,0,0,0|2,0,0]=4 215 B7R0.5 CSCC(=O)N(C)C WXVL_AN0032SB1267 [1,1,0,0,0,0|2,0,0]=4 216 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [1,1,0,0,0,0|1,0,1]=4 217 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [1,1,0,0,0,0|1,0,1]=4 218 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [1,1,0,0,0,0|1,0,0]=3 219 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [1,1,0,0,0,0|1,0,0]=3 220 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [1,1,0,0,0,0|1,0,0]=3 221 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [1,1,0,0,0,0|1,0,0]=3 222 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [1,1,0,0,0,0|1,0,0]=3 223 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [1,1,0,0,0,0|1,0,0]=3 224 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [1,1,0,0,0,0|2,0,0]=4 225 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [1,1,0,0,0,0|2,0,0]=4 226 B7R0.11 CCCS(=O)(=O)NC WXVL_AK00442HU0030 [1,1,0,0,0,0|2,0,0]=4 227 B7R0.11 CCCS(=O)(=O)NC WXVL_AK00442HU0030 [1,1,0,0,0,0|2,0,0]=4 228 B7R0.11 CCNS(=O)(=O)CC WXVL_AK00476HU0028 [1,1,0,0,0,0|2,0,0]=4 229 B7R0.11 CCNS(=O)(=O)CC WXVL_AK00476HU0028 [1,1,0,0,0,0|2,0,0]=4 230 B9R0.4 C#CCCC(=O)NC(C)C WXVL_AK0030SB2189 [0,2,0,0,0,0|1,0,1]=4 231 B9R0.4 C#CCCC(=O)NC(C)C WXVL_AK0030SB2189 [0,2,0,0,0,0|1,0,1]=4 232 B9R0.4 C=CCCC(=O)NC(C)C WXVL_AK0030SB1035 [0,2,0,0,0,0|1,0,1]=4 233 B9R0.4 C=CCCC(=O)NC(C)C WXVL_AK0030SB1035 [0,2,0,0,0,0|1,0,1]=4 234 B9R0.4 C=CCNC(=O)CC(C)C WXVL_AK00561SB0063 [0,2,0,0,0,0|1,0,1]=4 235 B9R0.4 C=CCNC(=O)CC(C)C WXVL_AK00561SB0063 [0,2,0,0,0,0|1,0,1]=4 236 B9R0.4 C=CCNC(=O)CC(C)O WXVL_AK00561SB3643 [0,2,0,0,0,0|1,0,1]=4 237 B9R0.4 C=CCNC(=O)CC(C)O WXVL_AK00561SB3643 [0,2,0,0,0,0|1,0,1]=4 238 B9R0.4 CC(C)CC(=O)NCC#N WXVL_AK0683SB0063 [0,2,0,0,0,0|1,0,1]=4 239 B9R0.4 CC(C)CC(=O)NCC#N WXVL_AK0683SB0063 [0,2,0,0,0,0|1,0,1]=4 240 B9R0.4 CC(C)CC(=O)NCCF WXVL_AK00466SB0063 [0,2,0,0,0,0|1,0,0]=3 241 B9R0.4 CC(C)CC(=O)NCCF WXVL_AK00466SB0063 [0,2,0,0,0,0|1,0,0]=3 242 B9R0.4 CC(C)NC(=O)NCCCl WXVL_AK0030YV0092 [0,2,0,0,0,0|2,0,0]=4 243 B9R0.4 CC(C)NC(=O)NCCCl WXVL_AK0030YV0092 [0,2,0,0,0,0|2,0,0]=4 244 B9R0.4 CC(O)CC(=O)NCC#N WXVL_AK0683SB3643 [0,2,0,0,0,0|1,0,1]=4 245 B9R0.4 CC(O)CC(=O)NCC#N WXVL_AK0683SB3643 [0,2,0,0,0,0|1,0,1]=4 246 B9R0.4 CC(O)CC(=O)NCCF WXVL_AK00466SB3643 [0,2,0,0,0,0|1,0,0]=3 247 B9R0.4 CC(O)CC(=O)NCCF WXVL_AK00466SB3643 [0,2,0,0,0,0|1,0,0]=3 248 B9R0.4 CCCNC(=O)C=C(C)C WXVL_AK00504SB0342 [0,2,0,0,0,0|1,0,1]=4 249 B9R0.4 CCCNC(=O)C=C(C)C WXVL_AK00504SB0342 [0,2,0,0,0,0|1,0,1]=4 250 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [0,2,0,0,0,0|1,0,0]=3 251 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [0,2,0,0,0,0|1,0,0]=3 252 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [0,2,0,0,0,0|1,0,0]=3 253 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [0,2,0,0,0,0|1,0,0]=3 254 B9R0.4 CCCNC(=O)CN(C)C WXVL_AK00504SB0085 [0,2,0,0,0,0|2,0,0]=4 255 B9R0.4 CCCNC(=O)CN(C)C WXVL_AK00504SB0085 [0,2,0,0,0,0|2,0,0]=4 256 B9R0.4 CCOCC(=O)NC(C)C WXVL_AK0030SB0091 [0,2,0,0,0,0|1,0,0]=3 257 B9R0.4 CCOCC(=O)NC(C)C WXVL_AK0030SB0091 [0,2,0,0,0,0|1,0,0]=3 258 B9R0.4 CCSCC(=O)NC(C)C WXVL_AK0030SB0002 [0,2,0,0,0,0|1,0,0]=3 259 B9R0.4 CCSCC(=O)NC(C)C WXVL_AK0030SB0002 [0,2,0,0,0,0|1,0,0]=3 260 B9R0.4 CN(C)CC(=O)NCCF WXVL_AK00466SB0085 [0,2,0,0,0,0|2,0,0]=4 261 B9R0.4 CN(C)CC(=O)NCCF WXVL_AK00466SB0085 [0,2,0,0,0,0|2,0,0]=4 262 B9R0.4 COCCC(=O)NC(C)C WXVL_AK0030SB0156 [0,2,0,0,0,0|1,0,0]=3 263 B9R0.4 COCCC(=O)NC(C)C WXVL_AK0030SB0156 [0,2,0,0,0,0|1,0,0]=3 264 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [0,2,0,0,0,0|1,0,0]=3 265 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [0,2,0,0,0,0|1,0,0]=3 266 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [0,2,0,0,0,0|1,0,0]=3 267 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [0,2,0,0,0,0|1,0,0]=3 268 B9R0.5 C#CCCNC(=O)CCC WXVL_AK3109SB0073 [0,2,0,0,0,0|1,0,0]=3 269 B9R0.5 C#CCCNC(=O)CCC WXVL_AK3109SB0073 [0,2,0,0,0,0|1,0,0]=3 270 B9R0.5 C#CCCNC(=O)COC WXVL_AK3109SB0090 [0,2,0,0,0,0|2,0,0]=4 271 B9R0.5 C#CCCNC(=O)COC WXVL_AK3109SB0090 [0,2,0,0,0,0|2,0,0]=4 272 B9R0.5 C#CCCNC(=O)CSC WXVL_AK3109SB1267 [0,2,0,0,0,0|2,0,0]=4 273 B9R0.5 C#CCCNC(=O)CSC WXVL_AK3109SB1267 [0,2,0,0,0,0|2,0,0]=4 274 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,2,0,0,0,0|1,0,1]=4 275 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,2,0,0,0,0|1,0,1]=4 276 B9R0.5 C/C=C/C(=O)NCCCO WXVL_AK0073SB0340 [0,2,0,0,0,0|1,0,1]=4 277 B9R0.5 C/C=C/C(=O)NCCCO WXVL_AK0073SB0340 [0,2,0,0,0,0|1,0,1]=4 278 B9R0.5 C/C=C/C(=O)NCCSC WXVL_AK00440SB0340 [0,2,0,0,0,0|1,0,1]=4 279 B9R0.5 C/C=C/C(=O)NCCSC WXVL_AK00440SB0340 [0,2,0,0,0,0|1,0,1]=4 280 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,2,0,0,0,0|1,0,0]=3 281 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,2,0,0,0,0|1,0,0]=3 282 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,2,0,0,0,0|1,0,0]=3 283 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,2,0,0,0,0|1,0,0]=3 284 B9R0.5 C=CCCNC(=O)COC WXVL_AK00138SB0090 [0,2,0,0,0,0|2,0,0]=4 285 B9R0.5 C=CCCNC(=O)COC WXVL_AK00138SB0090 [0,2,0,0,0,0|2,0,0]=4 286 B9R0.5 C=CCCNC(=O)CSC WXVL_AK00138SB1267 [0,2,0,0,0,0|2,0,0]=4 287 B9R0.5 C=CCCNC(=O)CSC WXVL_AK00138SB1267 [0,2,0,0,0,0|2,0,0]=4 288 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,2,0,0,0,0|1,0,1]=4 289 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,2,0,0,0,0|1,0,1]=4 290 B9R0.5 CC#CC(=O)NCCCO WXVL_AK0073SB1240 [0,2,0,0,0,0|1,0,1]=4 291 B9R0.5 CC#CC(=O)NCCCO WXVL_AK0073SB1240 [0,2,0,0,0,0|1,0,1]=4 292 B9R0.5 CC#CC(=O)NCCSC WXVL_AK00440SB1240 [0,2,0,0,0,0|1,0,1]=4 293 B9R0.5 CC#CC(=O)NCCSC WXVL_AK00440SB1240 [0,2,0,0,0,0|1,0,1]=4 294 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,2,0,0,0,0|1,0,0]=3 295 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,2,0,0,0,0|1,0,0]=3 296 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [0,2,0,0,0,0|1,0,0]=3 297 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [0,2,0,0,0,0|1,0,0]=3 298 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,2,0,0,0,0|1,0,0]=3 299 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,2,0,0,0,0|1,0,0]=3 300 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,2,0,0,0,0|1,0,0]=3 301 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,2,0,0,0,0|1,0,0]=3 302 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,2,0,0,0,0|1,0,0]=3 303 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,2,0,0,0,0|1,0,0]=3 304 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|2,0,0]=4 305 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|2,0,0]=4 306 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,2,0,0,0,0|2,0,0]=4 307 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,2,0,0,0,0|2,0,0]=4 308 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,2,0,0,0,0|1,0,0]=3 309 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,2,0,0,0,0|1,0,0]=3 310 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,2,0,0,0,0|1,0,0]=3 311 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,2,0,0,0,0|1,0,0]=3 312 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,2,0,0,0,0|1,0,0]=3 313 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,2,0,0,0,0|1,0,0]=3 314 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [0,2,0,0,0,0|1,0,0]=3 315 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [0,2,0,0,0,0|1,0,0]=3 316 B9R0.5 COCC(=O)NCCC#N WXVL_AK0087SB0090 [0,2,0,0,0,0|2,0,0]=4 317 B9R0.5 COCC(=O)NCCC#N WXVL_AK0087SB0090 [0,2,0,0,0,0|2,0,0]=4 318 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,2,0,0,0,0|2,0,0]=4 319 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,2,0,0,0,0|2,0,0]=4 320 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [0,2,0,0,0,0|2,0,0]=4 321 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [0,2,0,0,0,0|2,0,0]=4 322 B9R0.5 CSCC(=O)NCCC#N WXVL_AK0087SB1267 [0,2,0,0,0,0|2,0,0]=4 323 B9R0.5 CSCC(=O)NCCC#N WXVL_AK0087SB1267 [0,2,0,0,0,0|2,0,0]=4 324 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [0,2,0,0,0,0|2,0,0]=4 325 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [0,2,0,0,0,0|2,0,0]=4 326 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [0,2,0,0,0,0|2,0,0]=4 327 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [0,2,0,0,0,0|2,0,0]=4 328 B9R0.8 C/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0343 [0,2,0,0,0,0|1,0,1]=4 329 B9R0.8 C/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0343 [0,2,0,0,0,0|1,0,1]=4 330 B9R0.8 C=CCNC(=O)C(C)CC WXVL_AK00561SB0054 [0,2,0,0,0,0|1,0,1]=4 331 B9R0.8 C=CCNC(=O)C(C)CC WXVL_AK00561SB0054 [0,2,0,0,0,0|1,0,1]=4 332 B9R0.8 C=CCNC(=O)[C@@H](O)CC WXVL_AK00561SB3573 [0,2,0,0,0,0|1,0,1]=4 333 B9R0.8 C=CCNC(=O)[C@@H](O)CC WXVL_AK00561SB3573 [0,2,0,0,0,0|1,0,1]=4 334 B9R0.8 C=CCNC(=O)[C@H](C)CC WXVL_AK00561SB00054 [0,2,0,0,0,0|1,0,1]=4 335 B9R0.8 C=CCNC(=O)[C@H](C)CC WXVL_AK00561SB00054 [0,2,0,0,0,0|1,0,1]=4 336 B9R0.8 CCC(=O)C(=O)NCCF WXVL_AK00466SB0344 [0,2,0,0,0,0|1,0,1]=4 337 B9R0.8 CCC(=O)C(=O)NCCF WXVL_AK00466SB0344 [0,2,0,0,0,0|1,0,1]=4 338 B9R0.8 CCC(C)C(=O)NCC#N WXVL_AK0683SB0054 [0,2,0,0,0,0|1,0,1]=4 339 B9R0.8 CCC(C)C(=O)NCC#N WXVL_AK0683SB0054 [0,2,0,0,0,0|1,0,1]=4 340 B9R0.8 CCC(C)C(=O)NCCF WXVL_AK00466SB0054 [0,2,0,0,0,0|1,0,0]=3 341 B9R0.8 CCC(C)C(=O)NCCF WXVL_AK00466SB0054 [0,2,0,0,0,0|1,0,0]=3 342 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,2,0,0,0,0|1,0,0]=3 343 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,2,0,0,0,0|1,0,0]=3 344 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [0,2,0,0,0,0|1,0,0]=3 345 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [0,2,0,0,0,0|1,0,0]=3 346 B9R0.8 CCCNC(=O)[C@@H](C)OC WXVL_AK00504SB2926 [0,2,0,0,0,0|2,0,0]=4 347 B9R0.8 CCCNC(=O)[C@@H](C)OC WXVL_AK00504SB2926 [0,2,0,0,0,0|2,0,0]=4 348 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [0,2,0,0,0,0|1,0,0]=3 349 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [0,2,0,0,0,0|1,0,0]=3 350 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [0,2,0,0,0,0|1,0,0]=3 351 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [0,2,0,0,0,0|1,0,0]=3 352 B9R0.8 CC[C@@H](C)C(=O)NCC#N WXVL_AK0683SB00054 [0,2,0,0,0,0|1,0,1]=4 353 B9R0.8 CC[C@@H](C)C(=O)NCC#N WXVL_AK0683SB00054 [0,2,0,0,0,0|1,0,1]=4 354 B9R0.8 CC[C@@H](C)C(=O)NCCF WXVL_AK00466SB00054 [0,2,0,0,0,0|1,0,0]=3 355 B9R0.8 CC[C@@H](C)C(=O)NCCF WXVL_AK00466SB00054 [0,2,0,0,0,0|1,0,0]=3 356 B9R0.8 CC[C@H](O)C(=O)NCC#N WXVL_AK0683SB3573 [0,2,0,0,0,0|1,0,1]=4 357 B9R0.8 CC[C@H](O)C(=O)NCC#N WXVL_AK0683SB3573 [0,2,0,0,0,0|1,0,1]=4 358 B9R0.8 CC[C@H](O)C(=O)NCCF WXVL_AK00466SB3573 [0,2,0,0,0,0|1,0,0]=3 359 B9R0.8 CC[C@H](O)C(=O)NCCF WXVL_AK00466SB3573 [0,2,0,0,0,0|1,0,0]=3 360 B9R0.8 CO[C@H](C)C(=O)NCCF WXVL_AK00466SB2926 [0,2,0,0,0,0|2,0,0]=4 361 B9R0.8 CO[C@H](C)C(=O)NCCF WXVL_AK00466SB2926 [0,2,0,0,0,0|2,0,0]=4 362 B9R0.18 C#CCCC(=O)NCCC WXVL_AK00504SB2189 [0,2,0,0,0,0|1,0,1]=4 363 B9R0.18 C#CCCC(=O)NCCC WXVL_AK00504SB2189 [0,2,0,0,0,0|1,0,1]=4 364 B9R0.18 C#CCCC(=O)NCCF WXVL_AK00466SB2189 [0,2,0,0,0,0|1,0,1]=4 365 B9R0.18 C#CCCC(=O)NCCF WXVL_AK00466SB2189 [0,2,0,0,0,0|1,0,1]=4 366 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [0,2,0,0,0,0|1,0,1]=4 367 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [0,2,0,0,0,0|1,0,1]=4 368 B9R0.18 C=CCCC(=O)NCCF WXVL_AK00466SB1035 [0,2,0,0,0,0|1,0,1]=4 369 B9R0.18 C=CCCC(=O)NCCF WXVL_AK00466SB1035 [0,2,0,0,0,0|1,0,1]=4 370 B9R0.18 C=CCNC(=O)CCOC WXVL_AK00561SB0156 [0,2,0,0,0,0|1,0,1]=4 371 B9R0.18 C=CCNC(=O)CCOC WXVL_AK00561SB0156 [0,2,0,0,0,0|1,0,1]=4 372 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [0,2,0,0,0,0|1,0,1]=4 373 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [0,2,0,0,0,0|1,0,1]=4 374 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [0,2,0,0,0,0|0,0,2]=4 375 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [0,2,0,0,0,0|0,0,2]=4 376 B9R0.18 C=CCNC(=O)CSCC WXVL_AK00561SB0002 [0,2,0,0,0,0|1,0,1]=4 377 B9R0.18 C=CCNC(=O)CSCC WXVL_AK00561SB0002 [0,2,0,0,0,0|1,0,1]=4 378 B9R0.18 CCCNC(=O)/C=C/CBr WXVL_AK00504SB0424 [0,2,0,0,0,0|1,0,1]=4 379 B9R0.18 CCCNC(=O)/C=C/CBr WXVL_AK00504SB0424 [0,2,0,0,0,0|1,0,1]=4 380 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [0,2,0,0,0,0|1,0,0]=3 381 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [0,2,0,0,0,0|1,0,0]=3 382 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [0,2,0,0,0,0|1,0,0]=3 383 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [0,2,0,0,0,0|1,0,0]=3 384 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [0,2,0,0,0,0|0,0,0]=2 385 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [0,2,0,0,0,0|0,0,0]=2 386 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [0,2,0,0,0,0|0,1,0]=3 387 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [0,2,0,0,0,0|0,1,0]=3 388 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [0,2,0,0,0,0|1,0,0]=3 389 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [0,2,0,0,0,0|1,0,0]=3 390 B9R0.18 CCOCC(=O)NCC#N WXVL_AK0683SB0091 [0,2,0,0,0,0|1,0,1]=4 391 B9R0.18 CCOCC(=O)NCC#N WXVL_AK0683SB0091 [0,2,0,0,0,0|1,0,1]=4 392 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [0,2,0,0,0,0|1,0,0]=3 393 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [0,2,0,0,0,0|1,0,0]=3 394 B9R0.18 CCSCC(=O)NCC#N WXVL_AK0683SB0002 [0,2,0,0,0,0|1,0,1]=4 395 B9R0.18 CCSCC(=O)NCC#N WXVL_AK0683SB0002 [0,2,0,0,0,0|1,0,1]=4 396 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [0,2,0,0,0,0|1,0,0]=3 397 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [0,2,0,0,0,0|1,0,0]=3 398 B9R0.18 COCCC(=O)NCC#N WXVL_AK0683SB0156 [0,2,0,0,0,0|1,0,1]=4 399 B9R0.18 COCCC(=O)NCC#N WXVL_AK0683SB0156 [0,2,0,0,0,0|1,0,1]=4 400 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [0,2,0,0,0,0|1,0,0]=3 401 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [0,2,0,0,0,0|1,0,0]=3 402 B9R0.18 CSCCC(=O)NCC#N WXVL_AK0683SB0361 [0,2,0,0,0,0|1,0,1]=4 403 B9R0.18 CSCCC(=O)NCC#N WXVL_AK0683SB0361 [0,2,0,0,0,0|1,0,1]=4 404 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [0,2,0,0,0,0|1,0,0]=3 405 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [0,2,0,0,0,0|1,0,0]=3 406 B9R0.18 O=C(NCCF)NCCCl WXVL_AK00466YV0092 [0,2,0,0,0,0|2,0,0]=4 407 B9R0.18 O=C(NCCF)NCCCl WXVL_AK00466YV0092 [0,2,0,0,0,0|2,0,0]=4 408 B9R0.34 C#C[C@@H](C)NC(=O)CCC WXVL_AK00735SB0073 [0,2,0,0,0,0|1,0,0]=3 409 B9R0.34 C#C[C@@H](C)NC(=O)CCC WXVL_AK00735SB0073 [0,2,0,0,0,0|1,0,0]=3 410 B9R0.34 C#C[C@@H](C)NC(=O)COC WXVL_AK00735SB0090 [0,2,0,0,0,0|2,0,0]=4 411 B9R0.34 C#C[C@@H](C)NC(=O)COC WXVL_AK00735SB0090 [0,2,0,0,0,0|2,0,0]=4 412 B9R0.34 C#C[C@@H](C)NC(=O)CSC WXVL_AK00735SB1267 [0,2,0,0,0,0|2,0,0]=4 413 B9R0.34 C#C[C@@H](C)NC(=O)CSC WXVL_AK00735SB1267 [0,2,0,0,0,0|2,0,0]=4 414 B9R0.34 C/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB0340 [0,2,0,0,0,0|1,0,1]=4 415 B9R0.34 C/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB0340 [0,2,0,0,0,0|1,0,1]=4 416 B9R0.34 C=CC(C)NC(=O)CCC WXVL_AK00769SB0073 [0,2,0,0,0,0|1,0,0]=3 417 B9R0.34 C=CC(C)NC(=O)CCC WXVL_AK00769SB0073 [0,2,0,0,0,0|1,0,0]=3 418 B9R0.34 C=CC(C)NC(=O)COC WXVL_AK00769SB0090 [0,2,0,0,0,0|2,0,0]=4 419 B9R0.34 C=CC(C)NC(=O)COC WXVL_AK00769SB0090 [0,2,0,0,0,0|2,0,0]=4 420 B9R0.34 C=CC(C)NC(=O)CSC WXVL_AK00769SB1267 [0,2,0,0,0,0|2,0,0]=4 421 B9R0.34 C=CC(C)NC(=O)CSC WXVL_AK00769SB1267 [0,2,0,0,0,0|2,0,0]=4 422 B9R0.34 CC#CC(=O)N[C@@H](C)CC WXVL_AK00678SB1240 [0,2,0,0,0,0|1,0,1]=4 423 B9R0.34 CC#CC(=O)N[C@@H](C)CC WXVL_AK00678SB1240 [0,2,0,0,0,0|1,0,1]=4 424 B9R0.34 CCCC(=O)NC(C)C#N WXVL_AK00810SB0073 [0,2,0,0,0,0|1,0,0]=3 425 B9R0.34 CCCC(=O)NC(C)C#N WXVL_AK00810SB0073 [0,2,0,0,0,0|1,0,0]=3 426 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [0,2,0,0,0,0|1,0,0]=3 427 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [0,2,0,0,0,0|1,0,0]=3 428 B9R0.34 CCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0073 [0,2,0,0,0,0|1,0,0]=3 429 B9R0.34 CCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0073 [0,2,0,0,0,0|1,0,0]=3 430 B9R0.34 CCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0073 [0,2,0,0,0,0|1,0,0]=3 431 B9R0.34 CCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0073 [0,2,0,0,0,0|1,0,0]=3 432 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,2,0,0,0,0|1,0,1]=4 433 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,2,0,0,0,0|1,0,1]=4 434 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [0,2,0,0,0,0|1,0,0]=3 435 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [0,2,0,0,0,0|1,0,0]=3 436 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [0,2,0,0,0,0|1,0,0]=3 437 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [0,2,0,0,0,0|1,0,0]=3 438 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [0,2,0,0,0,0|1,0,0]=3 439 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [0,2,0,0,0,0|1,0,0]=3 440 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,2,0,0,0,0|0,0,1]=3 441 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,2,0,0,0,0|0,0,1]=3 442 B9R0.34 CC[C@H](C)NC(=O)COC WXVL_AK00678SB0090 [0,2,0,0,0,0|2,0,0]=4 443 B9R0.34 CC[C@H](C)NC(=O)COC WXVL_AK00678SB0090 [0,2,0,0,0,0|2,0,0]=4 444 B9R0.34 CC[C@H](C)NC(=O)CSC WXVL_AK00678SB1267 [0,2,0,0,0,0|2,0,0]=4 445 B9R0.34 CC[C@H](C)NC(=O)CSC WXVL_AK00678SB1267 [0,2,0,0,0,0|2,0,0]=4 446 B9R0.34 COCC(=O)NC(C)C#N WXVL_AK00810SB0090 [0,2,0,0,0,0|2,0,0]=4 447 B9R0.34 COCC(=O)NC(C)C#N WXVL_AK00810SB0090 [0,2,0,0,0,0|2,0,0]=4 448 B9R0.34 COCC(=O)N[C@@H](C)CF WXVL_AK00558SB0090 [0,2,0,0,0,0|2,0,0]=4 449 B9R0.34 COCC(=O)N[C@@H](C)CF WXVL_AK00558SB0090 [0,2,0,0,0,0|2,0,0]=4 450 B9R0.34 COCC(=O)N[C@@H](C)CO WXVL_AK0109SB0090 [0,2,0,0,0,0|2,0,0]=4 451 B9R0.34 COCC(=O)N[C@@H](C)CO WXVL_AK0109SB0090 [0,2,0,0,0,0|2,0,0]=4 452 B9R0.34 CSCC(=O)NC(C)C#N WXVL_AK00810SB1267 [0,2,0,0,0,0|2,0,0]=4 453 B9R0.34 CSCC(=O)NC(C)C#N WXVL_AK00810SB1267 [0,2,0,0,0,0|2,0,0]=4 454 B9R0.34 CSCC(=O)N[C@@H](C)CF WXVL_AK00558SB1267 [0,2,0,0,0,0|2,0,0]=4 455 B9R0.34 CSCC(=O)N[C@@H](C)CF WXVL_AK00558SB1267 [0,2,0,0,0,0|2,0,0]=4 456 B9R0.34 CSCC(=O)N[C@@H](C)CO WXVL_AK0109SB1267 [0,2,0,0,0,0|2,0,0]=4 457 B9R0.34 CSCC(=O)N[C@@H](C)CO WXVL_AK0109SB1267 [0,2,0,0,0,0|2,0,0]=4 458 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [0,2,0,0,0,0|1,0,1]=4 459 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [0,2,0,0,0,0|1,0,1]=4 460 B9R0.35 CCCC(=O)N(C)CC#N WXVL_AN2942SB0073 [0,2,0,0,0,0|1,0,1]=4 461 B9R0.35 CCCC(=O)N(C)CC#N WXVL_AN2942SB0073 [0,2,0,0,0,0|1,0,1]=4 462 B9R0.35 CCCC(=O)N(C)CCO WXVL_AN2670SB0073 [0,2,0,0,0,0|1,0,0]=3 463 B9R0.35 CCCC(=O)N(C)CCO WXVL_AN2670SB0073 [0,2,0,0,0,0|1,0,0]=3 464 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,2,0,0,0,0|1,0,0]=3 465 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,2,0,0,0,0|1,0,0]=3 466 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,2,0,0,0,0|1,0,0]=3 467 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,2,0,0,0,0|1,0,0]=3 468 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,2,0,0,0,0|0,0,1]=3 469 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,2,0,0,0,0|0,0,1]=3 470 B9R0.35 COCC(=O)N(C)CCO WXVL_AN2670SB0090 [0,2,0,0,0,0|2,0,0]=4 471 B9R0.35 COCC(=O)N(C)CCO WXVL_AN2670SB0090 [0,2,0,0,0,0|2,0,0]=4 472 B9R0.35 CSCC(=O)N(C)CCO WXVL_AN2670SB1267 [0,2,0,0,0,0|2,0,0]=4 473 B9R0.35 CSCC(=O)N(C)CCO WXVL_AN2670SB1267 [0,2,0,0,0,0|2,0,0]=4 474 B9R0.48 C/C=C/C(=O)NCC(C)C WXVL_AK00544SB0340 [0,2,0,0,0,0|1,0,1]=4 475 B9R0.48 C/C=C/C(=O)NCC(C)C WXVL_AK00544SB0340 [0,2,0,0,0,0|1,0,1]=4 476 B9R0.48 C/C=C/C(=O)NCC(C)O WXVL_AK0052SB0340 [0,2,0,0,0,0|1,0,1]=4 477 B9R0.48 C/C=C/C(=O)NCC(C)O WXVL_AK0052SB0340 [0,2,0,0,0,0|1,0,1]=4 478 B9R0.48 C/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB0340 [0,2,0,0,0,0|1,0,1]=4 479 B9R0.48 C/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB0340 [0,2,0,0,0,0|1,0,1]=4 480 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [0,2,0,0,0,0|1,0,0]=3 481 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [0,2,0,0,0,0|1,0,0]=3 482 B9R0.48 C=C(C)CNC(=O)COC WXVL_AK0761SB0090 [0,2,0,0,0,0|2,0,0]=4 483 B9R0.48 C=C(C)CNC(=O)COC WXVL_AK0761SB0090 [0,2,0,0,0,0|2,0,0]=4 484 B9R0.48 C=C(C)CNC(=O)CSC WXVL_AK0761SB1267 [0,2,0,0,0,0|2,0,0]=4 485 B9R0.48 C=C(C)CNC(=O)CSC WXVL_AK0761SB1267 [0,2,0,0,0,0|2,0,0]=4 486 B9R0.48 CC#CC(=O)NCC(C)C WXVL_AK00544SB1240 [0,2,0,0,0,0|1,0,1]=4 487 B9R0.48 CC#CC(=O)NCC(C)C WXVL_AK00544SB1240 [0,2,0,0,0,0|1,0,1]=4 488 B9R0.48 CC#CC(=O)NCC(C)O WXVL_AK0052SB1240 [0,2,0,0,0,0|1,0,1]=4 489 B9R0.48 CC#CC(=O)NCC(C)O WXVL_AK0052SB1240 [0,2,0,0,0,0|1,0,1]=4 490 B9R0.48 CC#CC(=O)NC[C@H](C)O WXVL_AK0113SB1240 [0,2,0,0,0,0|1,0,1]=4 491 B9R0.48 CC#CC(=O)NC[C@H](C)O WXVL_AK0113SB1240 [0,2,0,0,0,0|1,0,1]=4 492 B9R0.48 CCCC(=O)NCC(=O)N WXVL_AK0147SB0073 [0,2,0,0,0,0|1,0,1]=4 493 B9R0.48 CCCC(=O)NCC(=O)N WXVL_AK0147SB0073 [0,2,0,0,0,0|1,0,1]=4 494 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [0,2,0,0,0,0|1,0,0]=3 495 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [0,2,0,0,0,0|1,0,0]=3 496 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [0,2,0,0,0,0|1,0,0]=3 497 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [0,2,0,0,0,0|1,0,0]=3 498 B9R0.48 CCCC(=O)NCC(F)F WXVL_AK0136SB0073 [0,2,0,0,0,0|1,0,0]=3 499 B9R0.48 CCCC(=O)NCC(F)F WXVL_AK0136SB0073 [0,2,0,0,0,0|1,0,0]=3 500 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [0,2,0,0,0,0|1,0,0]=3 501 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [0,2,0,0,0,0|1,0,0]=3 502 B9R0.48 CCNC(=O)/C=C/C(C)C WXVL_AK00476SB0036 [0,2,0,0,0,0|1,0,1]=4 503 B9R0.48 CCNC(=O)/C=C/C(C)C WXVL_AK00476SB0036 [0,2,0,0,0,0|1,0,1]=4 504 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,2,0,0,0,0|1,0,0]=3 505 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,2,0,0,0,0|1,0,0]=3 506 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [0,2,0,0,0,0|1,0,1]=4 507 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [0,2,0,0,0,0|1,0,1]=4 508 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [0,2,0,0,0,0|1,0,0]=3 509 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [0,2,0,0,0,0|1,0,0]=3 510 B9R0.48 CCNC(=O)CCN(C)C WXVL_AK00476SB00052 [0,2,0,0,0,0|1,0,0]=3 511 B9R0.48 CCNC(=O)CCN(C)C WXVL_AK00476SB00052 [0,2,0,0,0,0|1,0,0]=3 512 B9R0.48 CCNC(=O)CNC(=O)C WXVL_AK00476SB0357 [0,2,0,0,0,0|1,0,1]=4 513 B9R0.48 CCNC(=O)CNC(=O)C WXVL_AK00476SB0357 [0,2,0,0,0,0|1,0,1]=4 514 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [0,2,0,0,0,0|1,0,1]=4 515 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [0,2,0,0,0,0|1,0,1]=4 516 B9R0.48 CCNC(=O)COC(C)C WXVL_AK00476SB0213 [0,2,0,0,0,0|1,0,0]=3 517 B9R0.48 CCNC(=O)COC(C)C WXVL_AK00476SB0213 [0,2,0,0,0,0|1,0,0]=3 518 B9R0.48 CCNC(=O)CSC(=O)C WXVL_AK00476SB3992 [0,2,0,0,0,0|1,0,1]=4 519 B9R0.48 CCNC(=O)CSC(=O)C WXVL_AK00476SB3992 [0,2,0,0,0,0|1,0,1]=4 520 B9R0.48 COCC(=O)NCC(C)C WXVL_AK00544SB0090 [0,2,0,0,0,0|2,0,0]=4 521 B9R0.48 COCC(=O)NCC(C)C WXVL_AK00544SB0090 [0,2,0,0,0,0|2,0,0]=4 522 B9R0.48 COCC(=O)NCC(C)O WXVL_AK0052SB0090 [0,2,0,0,0,0|2,0,0]=4 523 B9R0.48 COCC(=O)NCC(C)O WXVL_AK0052SB0090 [0,2,0,0,0,0|2,0,0]=4 524 B9R0.48 COCC(=O)NCC(F)F WXVL_AK0136SB0090 [0,2,0,0,0,0|2,0,0]=4 525 B9R0.48 COCC(=O)NCC(F)F WXVL_AK0136SB0090 [0,2,0,0,0,0|2,0,0]=4 526 B9R0.48 COCC(=O)NC[C@H](C)O WXVL_AK0113SB0090 [0,2,0,0,0,0|2,0,0]=4 527 B9R0.48 COCC(=O)NC[C@H](C)O WXVL_AK0113SB0090 [0,2,0,0,0,0|2,0,0]=4 528 B9R0.48 CSCC(=O)NCC(C)C WXVL_AK00544SB1267 [0,2,0,0,0,0|2,0,0]=4 529 B9R0.48 CSCC(=O)NCC(C)C WXVL_AK00544SB1267 [0,2,0,0,0,0|2,0,0]=4 530 B9R0.48 CSCC(=O)NCC(C)O WXVL_AK0052SB1267 [0,2,0,0,0,0|2,0,0]=4 531 B9R0.48 CSCC(=O)NCC(C)O WXVL_AK0052SB1267 [0,2,0,0,0,0|2,0,0]=4 532 B9R0.48 CSCC(=O)NCC(F)F WXVL_AK0136SB1267 [0,2,0,0,0,0|2,0,0]=4 533 B9R0.48 CSCC(=O)NCC(F)F WXVL_AK0136SB1267 [0,2,0,0,0,0|2,0,0]=4 534 B9R0.48 CSCC(=O)NC[C@H](C)O WXVL_AK0113SB1267 [0,2,0,0,0,0|2,0,0]=4 535 B9R0.48 CSCC(=O)NC[C@H](C)O WXVL_AK0113SB1267 [0,2,0,0,0,0|2,0,0]=4 536 B9R0.66 CCCCS(=O)(=O)NCC WXVL_AK00476HU0031 [0,2,0,0,0,0|2,0,0]=4 537 B9R0.66 CCCCS(=O)(=O)NCC WXVL_AK00476HU0031 [0,2,0,0,0,0|2,0,0]=4 538 B9R0.66 CCCNS(=O)(=O)CCC WXVL_AK00504HU0030 [0,2,0,0,0,0|2,0,0]=4 539 B9R0.66 CCCNS(=O)(=O)CCC WXVL_AK00504HU0030 [0,2,0,0,0,0|2,0,0]=4 540 B9R0.66 CCCS(=O)(=O)NCCF WXVL_AK00466HU0030 [0,2,0,0,0,0|2,0,0]=4 541 B9R0.66 CCCS(=O)(=O)NCCF WXVL_AK00466HU0030 [0,2,0,0,0,0|2,0,0]=4 542 B9R0.66 CCNS(=O)(=O)CCCCl WXVL_AK00476HU0162 [0,2,0,0,0,0|2,0,0]=4 543 B9R0.66 CCNS(=O)(=O)CCCCl WXVL_AK00476HU0162 [0,2,0,0,0,0|2,0,0]=4 544 B9R0.66 CCNS(=O)(=O)CCOC WXVL_AK00476HU0155 [0,2,0,0,0,0|2,0,0]=4 545 B9R0.66 CCNS(=O)(=O)CCOC WXVL_AK00476HU0155 [0,2,0,0,0,0|2,0,0]=4 546 B9R0.6 CCCC(=O)N(C)C(C)C WXVL_AN0073SB0073 [0,2,0,0,0,0|1,0,0]=3 547 B9R0.6 CCCC(=O)N(C)C(C)C WXVL_AN0073SB0073 [0,2,0,0,0,0|1,0,0]=3 548 B9R0.6 CCNC(=O)C(=O)C(C)C WXVL_AK00476SB2578 [0,2,0,0,0,0|1,0,1]=4 549 B9R0.6 CCNC(=O)C(=O)C(C)C WXVL_AK00476SB2578 [0,2,0,0,0,0|1,0,1]=4 550 B9R0.6 CCNC(=O)C(O)C(C)C WXVL_AK00476SB1147 [0,2,0,0,0,0|1,0,0]=3 551 B9R0.6 CCNC(=O)C(O)C(C)C WXVL_AK00476SB1147 [0,2,0,0,0,0|1,0,0]=3 552 B9R0.6 CCOC(=O)C(=O)N(C)C WXVL_AN0032SB4144 [0,2,0,0,0,0|1,0,1]=4 553 B9R0.6 CCOC(=O)C(=O)N(C)C WXVL_AN0032SB4144 [0,2,0,0,0,0|1,0,1]=4 554 B9R0.6 COCC(=O)N(C)C(C)C WXVL_AN0073SB0090 [0,2,0,0,0,0|2,0,0]=4 555 B9R0.6 COCC(=O)N(C)C(C)C WXVL_AN0073SB0090 [0,2,0,0,0,0|2,0,0]=4 556 B9R0.6 CSCC(=O)N(C)C(C)C WXVL_AN0073SB1267 [0,2,0,0,0,0|2,0,0]=4 557 B9R0.6 CSCC(=O)N(C)C(C)C WXVL_AN0073SB1267 [0,2,0,0,0,0|2,0,0]=4 558 B9R0.19 CCNC(=O)C(C)(C)CC WXVL_AK00476SB0355 [0,2,0,0,0,0|1,0,0]=3 559 B9R0.19 CCNC(=O)C(C)(C)CC WXVL_AK00476SB0355 [0,2,0,0,0,0|1,0,0]=3 560 B9R0.19 CCNC(=O)C(C)(C)CCl WXVL_AK00476SB3392 [0,2,0,0,0,0|2,0,0]=4 561 B9R0.19 CCNC(=O)C(C)(C)CCl WXVL_AK00476SB3392 [0,2,0,0,0,0|2,0,0]=4 562 B9R0.19 CCNC(=O)C(C)(C)OC WXVL_AK00476SB0207 [0,2,0,0,0,0|2,0,0]=4 563 B9R0.19 CCNC(=O)C(C)(C)OC WXVL_AK00476SB0207 [0,2,0,0,0,0|2,0,0]=4 564 B9R0.19 CCNC(=O)C(C)(O)CC WXVL_AK00476SB3009 [0,2,0,0,0,0|1,0,0]=3 565 B9R0.19 CCNC(=O)C(C)(O)CC WXVL_AK00476SB3009 [0,2,0,0,0,0|1,0,0]=3 566 B9R0.23 CCC(=O)C(=O)NC(C)C WXVL_AK0030SB0344 [0,2,0,0,0,0|1,0,1]=4 567 B9R0.23 CCC(=O)C(=O)NC(C)C WXVL_AK0030SB0344 [0,2,0,0,0,0|1,0,1]=4 568 B9R0.23 CCC(C)C(=O)NC(C)C WXVL_AK0030SB0054 [0,2,0,0,0,0|1,0,0]=3 569 B9R0.23 CCC(C)C(=O)NC(C)C WXVL_AK0030SB0054 [0,2,0,0,0,0|1,0,0]=3 570 B9R0.23 CC[C@@H](C)C(=O)NC(C)C WXVL_AK0030SB00054 [0,2,0,0,0,0|1,0,0]=3 571 B9R0.23 CC[C@@H](C)C(=O)NC(C)C WXVL_AK0030SB00054 [0,2,0,0,0,0|1,0,0]=3 572 B9R0.23 CC[C@H](O)C(=O)NC(C)C WXVL_AK0030SB3573 [0,2,0,0,0,0|1,0,0]=3 573 B9R0.23 CC[C@H](O)C(=O)NC(C)C WXVL_AK0030SB3573 [0,2,0,0,0,0|1,0,0]=3 574 B9R0.23 CO[C@H](C)C(=O)NC(C)C WXVL_AK0030SB2926 [0,2,0,0,0,0|2,0,0]=4 575 B9R0.23 CO[C@H](C)C(=O)NC(C)C WXVL_AK0030SB2926 [0,2,0,0,0,0|2,0,0]=4 576 B9R0.37 CCCC(=O)N(CC)CC WXVL_AN0042SB0073 [0,2,0,0,0,0|1,0,0]=3 577 B9R0.37 CCCC(=O)N(CC)CC WXVL_AN0042SB0073 [0,2,0,0,0,0|1,0,0]=3 578 B9R0.37 CCN(CC)C(=O)COC WXVL_AN0042SB0090 [0,2,0,0,0,0|2,0,0]=4 579 B9R0.37 CCN(CC)C(=O)COC WXVL_AN0042SB0090 [0,2,0,0,0,0|2,0,0]=4 580 B9R0.37 CCN(CC)C(=O)CSC WXVL_AN0042SB1267 [0,2,0,0,0,0|2,0,0]=4 581 B9R0.37 CCN(CC)C(=O)CSC WXVL_AN0042SB1267 [0,2,0,0,0,0|2,0,0]=4 582 B9R0.37 CCNC(=O)C(CC)CC WXVL_AK00476SB0055 [0,2,0,0,0,0|1,0,0]=3 583 B9R0.37 CCNC(=O)C(CC)CC WXVL_AK00476SB0055 [0,2,0,0,0,0|1,0,0]=3 584 B9R0.37 CCNC(=O)C(OC)OC WXVL_AK00476SB8546 [0,2,0,0,0,0|2,0,0]=4 585 B9R0.37 CCNC(=O)C(OC)OC WXVL_AK00476SB8546 [0,2,0,0,0,0|2,0,0]=4 586 B9R0.44 CCCC(=O)NC(C)(C)C WXVL_AK0024SB0073 [0,2,0,0,0,0|1,0,0]=3 587 B9R0.44 CCCC(=O)NC(C)(C)C WXVL_AK0024SB0073 [0,2,0,0,0,0|1,0,0]=3 588 B9R0.44 CCNC(=O)CC(C)(C)C WXVL_AK00476SB0062 [0,2,0,0,0,0|1,0,0]=3 589 B9R0.44 CCNC(=O)CC(C)(C)C WXVL_AK00476SB0062 [0,2,0,0,0,0|1,0,0]=3 590 B9R0.44 CCNC(=O)CC(C)(C)O WXVL_AK00476SB0163 [0,2,0,0,0,0|1,0,0]=3 591 B9R0.44 CCNC(=O)CC(C)(C)O WXVL_AK00476SB0163 [0,2,0,0,0,0|1,0,0]=3 592 B9R0.44 CCNC(=O)CC(F)(F)F WXVL_AK00476SB0177 [0,2,0,0,0,0|2,0,0]=4 593 B9R0.44 CCNC(=O)CC(F)(F)F WXVL_AK00476SB0177 [0,2,0,0,0,0|2,0,0]=4 594 B9R0.44 CCNC(=O)CS(=O)(=O)C WXVL_AK00476SB0162 [0,2,0,0,0,0|2,0,0]=4 595 B9R0.44 CCNC(=O)CS(=O)(=O)C WXVL_AK00476SB0162 [0,2,0,0,0,0|2,0,0]=4 596 B9R0.44 CCOC(=O)CS(=O)(=O)N WXVL_AK0084HU0462 [0,2,0,0,0,0|2,0,0]=4 597 B9R0.44 CCOC(=O)CS(=O)(=O)N WXVL_AK0084HU0462 [0,2,0,0,0,0|2,0,0]=4 598 B9R0.44 COCC(=O)NC(C)(C)C WXVL_AK0024SB0090 [0,2,0,0,0,0|2,0,0]=4 599 B9R0.44 COCC(=O)NC(C)(C)C WXVL_AK0024SB0090 [0,2,0,0,0,0|2,0,0]=4 600 B9R0.44 CSCC(=O)NC(C)(C)C WXVL_AK0024SB1267 [0,2,0,0,0,0|2,0,0]=4 601 B9R0.44 CSCC(=O)NC(C)(C)C WXVL_AK0024SB1267 [0,2,0,0,0,0|2,0,0]=4 602 B9R0.53 CC(C)CC(=O)NC(C)C WXVL_AK0030SB0063 [0,2,0,0,0,0|1,0,0]=3 603 B9R0.53 CC(C)CC(=O)NC(C)C WXVL_AK0030SB0063 [0,2,0,0,0,0|1,0,0]=3 604 B9R0.53 CC(C)NC(=O)CN(C)C WXVL_AK0030SB0085 [0,2,0,0,0,0|2,0,0]=4 605 B9R0.53 CC(C)NC(=O)CN(C)C WXVL_AK0030SB0085 [0,2,0,0,0,0|2,0,0]=4 606 B9R0.53 CC(O)CC(=O)NC(C)C WXVL_AK0030SB3643 [0,2,0,0,0,0|1,0,0]=3 607 B9R0.53 CC(O)CC(=O)NC(C)C WXVL_AK0030SB3643 [0,2,0,0,0,0|1,0,0]=3 608 B9R0.58 CCCS(=O)(=O)NC(C)C WXVL_AK0030HU0030 [0,2,0,0,0,0|2,0,0]=4 609 B9R0.58 CCCS(=O)(=O)NC(C)C WXVL_AK0030HU0030 [0,2,0,0,0,0|2,0,0]=4 610 B9R0.58 CCNS(=O)(=O)CC(C)C WXVL_AK00476HU0149 [0,2,0,0,0,0|2,0,0]=4 611 B9R0.58 CCNS(=O)(=O)CC(C)C WXVL_AK00476HU0149 [0,2,0,0,0,0|2,0,0]=4 612 B9R0.15 CCCC(CCC)C(=O)N WXVL_AK0084SB0056 [0,2,0,0,0,0|1,0,1]=4 613 B9R0.15 CCCC(CCC)C(=O)N WXVL_AK0084SB0056 [0,2,0,0,0,0|1,0,1]=4 614 B9R0.15 CCCN(CCC)C(=O)C WXVL_AN00632SB0150 [0,2,0,0,0,0|2,0,0]=4 615 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [1,0,0,1,0,0|1,0,0]=3 616 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [1,0,0,1,0,0|1,0,0]=3 617 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [0,1,0,1,0,0|1,0,0]=3 618 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [0,1,0,1,0,0|1,0,0]=3 619 B9R1.75 C/C=C/C(=O)NC1CC1 WXVL_AK0001SB0340 [0,1,0,1,0,0|1,0,1]=4 620 B9R1.75 C/C=C/C(=O)NC1CC1 WXVL_AK0001SB0340 [0,1,0,1,0,0|1,0,1]=4 621 B9R1.75 CC#CC(=O)NC1CC1 WXVL_AK0001SB1240 [0,1,0,1,0,0|1,0,1]=4 622 B9R1.75 CC#CC(=O)NC1CC1 WXVL_AK0001SB1240 [0,1,0,1,0,0|1,0,1]=4 623 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [0,1,0,1,0,0|1,0,0]=3 624 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [0,1,0,1,0,0|1,0,0]=3 625 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [0,1,0,1,0,0|1,0,0]=3 626 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [0,1,0,1,0,0|1,0,0]=3 627 B9R1.75 COCC(=O)NC1CC1 WXVL_AK0001SB0090 [0,1,0,1,0,0|2,0,0]=4 628 B9R1.75 COCC(=O)NC1CC1 WXVL_AK0001SB0090 [0,1,0,1,0,0|2,0,0]=4 629 B9R1.75 CSCC(=O)NC1CC1 WXVL_AK0001SB1267 [0,1,0,1,0,0|2,0,0]=4 630 B9R1.75 CSCC(=O)NC1CC1 WXVL_AK0001SB1267 [0,1,0,1,0,0|2,0,0]=4 631 B9R1.100 C=CCNC(=O)C1CC1 WXVL_AK00561SB0038 [0,1,0,1,0,0|1,0,1]=4 632 B9R1.100 C=CCNC(=O)C1CC1 WXVL_AK00561SB0038 [0,1,0,1,0,0|1,0,1]=4 633 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [0,1,0,1,0,0|1,0,0]=3 634 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [0,1,0,1,0,0|1,0,0]=3 635 B9R1.100 N#CCNC(=O)C1CC1 WXVL_AK0683SB0038 [0,1,0,1,0,0|1,0,1]=4 636 B9R1.100 N#CCNC(=O)C1CC1 WXVL_AK0683SB0038 [0,1,0,1,0,0|1,0,1]=4 637 B9R1.100 O=C(NCCF)C1CC1 WXVL_AK00466SB0038 [0,1,0,1,0,0|1,0,0]=3 638 B9R1.100 O=C(NCCF)C1CC1 WXVL_AK00466SB0038 [0,1,0,1,0,0|1,0,0]=3 639 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [0,1,0,1,0,0|1,0,0]=3 640 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [0,1,0,1,0,0|1,0,0]=3 641 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00476SB1245 [0,1,0,1,0,0|1,0,0]=3 642 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00476SB1245 [0,1,0,1,0,0|1,0,0]=3 643 B9R1.183 CCNC(=O)[C@H]1C[C@H]1F WXVL_AK00476SB00019 [0,1,0,1,0,0|1,0,0]=3 644 B9R1.183 CCNC(=O)[C@H]1C[C@H]1F WXVL_AK00476SB00019 [0,1,0,1,0,0|1,0,0]=3 645 B9R1.74 CCNC(=O)C1(CC1)Br WXVL_AK00476SB5517 [0,1,0,1,0,0|1,0,0]=3 646 B9R1.74 CCNC(=O)C1(CC1)Br WXVL_AK00476SB5517 [0,1,0,1,0,0|1,0,0]=3 647 B9R1.74 CCNC(=O)C1(CC1)C WXVL_AK00476SB0040 [0,1,0,1,0,0|1,0,0]=3 648 B9R1.74 CCNC(=O)C1(CC1)C WXVL_AK00476SB0040 [0,1,0,1,0,0|1,0,0]=3 649 B9R1.74 CCNC(=O)C1(CC1)F WXVL_AK00476SB0218 [0,1,0,1,0,0|1,0,0]=3 650 B9R1.74 CCNC(=O)C1(CC1)F WXVL_AK00476SB0218 [0,1,0,1,0,0|1,0,0]=3 651 B9R1.74 CCNC(=O)C1(CC1)O WXVL_AK00476SB2965 [0,1,0,1,0,0|1,0,0]=3 652 B9R1.74 CCNC(=O)C1(CC1)O WXVL_AK00476SB2965 [0,1,0,1,0,0|1,0,0]=3 653 B9R1.101 CNC(=O)C(=O)C1CC1 WXVL_AK00442SB3659 [0,1,0,1,0,0|2,0,0]=4 654 B9R1.101 CNC(=O)C(=O)C1CC1 WXVL_AK00442SB3659 [0,1,0,1,0,0|2,0,0]=4 655 B9R1.137 CC(C)NC(=O)C1CC1 WXVL_AK0030SB0038 [0,1,0,1,0,0|1,0,0]=3 656 B9R1.137 CC(C)NC(=O)C1CC1 WXVL_AK0030SB0038 [0,1,0,1,0,0|1,0,0]=3 657 B9R1.109 CCNS(=O)(=O)C1CC1 WXVL_AK00476HU0097 [0,1,0,1,0,0|2,0,0]=4 658 B9R1.109 CCNS(=O)(=O)C1CC1 WXVL_AK00476HU0097 [0,1,0,1,0,0|2,0,0]=4