0 B10R0.91 C#CCCC(=O)NCCCC WXVL_AK00588SB2189 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.91 C#CCCC(=O)NCCCC WXVL_AK00588SB2189 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.91 C#CCCCC(=O)NCCC WXVL_AK00504SB2709 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.91 C#CCCCC(=O)NCCC WXVL_AK00504SB2709 [0,0,0,0,0,0|1,0,2]=3 4 B10R0.91 C#CCCCC(=O)NCCF WXVL_AK00466SB2709 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.91 C#CCCCC(=O)NCCF WXVL_AK00466SB2709 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.91 C=CCCC(=O)NCCCC WXVL_AK00588SB1035 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.91 C=CCCC(=O)NCCCC WXVL_AK00588SB1035 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.91 C=CCCCC(=O)NCCC WXVL_AK00504SB2920 [0,0,0,0,0,0|1,0,2]=3 9 B10R0.91 C=CCCCC(=O)NCCC WXVL_AK00504SB2920 [0,0,0,0,0,0|1,0,2]=3 10 B10R0.91 C=CCCCC(=O)NCCF WXVL_AK00466SB2920 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.91 C=CCCCC(=O)NCCF WXVL_AK00466SB2920 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.91 C=CCNC(=O)CCCCBr WXVL_AK00561SB3153 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.91 C=CCNC(=O)CCCCBr WXVL_AK00561SB3153 [0,0,0,0,0,0|2,0,2]=4 14 B10R0.91 C=CCNC(=O)CCCCCl WXVL_AK00561SB0379 [0,0,0,0,0,0|2,0,2]=4 15 B10R0.91 C=CCNC(=O)CCCCCl WXVL_AK00561SB0379 [0,0,0,0,0,0|2,0,2]=4 16 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [0,0,0,0,0,0|1,0,2]=3 17 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [0,0,0,0,0,0|1,0,2]=3 18 B10R0.91 CC/C=C/CC(=O)NCCF WXVL_AK00466SB0349 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.91 CC/C=C/CC(=O)NCCF WXVL_AK00466SB0349 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.91 CCCCNC(=O)/C=C/CBr WXVL_AK00588SB0424 [0,0,0,0,0,0|3,0,1]=4 21 B10R0.91 CCCCNC(=O)/C=C/CBr WXVL_AK00588SB0424 [0,0,0,0,0,0|3,0,1]=4 22 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [0,0,0,0,0,0|3,0,0]=3 23 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [0,0,0,0,0,0|3,0,0]=3 24 B10R0.91 CCCCNC(=O)CCSC WXVL_AK00588SB0361 [0,0,0,0,0,0|3,0,0]=3 25 B10R0.91 CCCCNC(=O)CCSC WXVL_AK00588SB0361 [0,0,0,0,0,0|3,0,0]=3 26 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [0,0,0,0,0,0|3,0,0]=3 27 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [0,0,0,0,0,0|3,0,0]=3 28 B10R0.91 CCCCNC(=O)CSCC WXVL_AK00588SB0002 [0,0,0,0,0,0|3,0,0]=3 29 B10R0.91 CCCCNC(=O)CSCC WXVL_AK00588SB0002 [0,0,0,0,0,0|3,0,0]=3 30 B10R0.91 CCCCNC(=O)NCCCl WXVL_AK00588YV0092 [0,0,0,0,0,0|3,0,0]=3 31 B10R0.91 CCCCNC(=O)NCCCl WXVL_AK00588YV0092 [0,0,0,0,0,0|3,0,0]=3 32 B10R0.91 CCCNC(=O)/C=C/OCC WXVL_AK00504SB3226 [0,0,0,0,0,0|2,0,2]=4 33 B10R0.91 CCCNC(=O)/C=C/OCC WXVL_AK00504SB3226 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [0,0,0,0,0,0|2,0,0]=2 35 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [0,0,0,0,0,0|2,0,0]=2 36 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [0,0,0,0,0,0|2,0,0]=2 37 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [0,0,0,0,0,0|2,0,0]=2 38 B10R0.91 CCCNC(=O)NCCCCl WXVL_AK00504YV0130 [0,0,0,0,0,0|3,0,0]=3 39 B10R0.91 CCCNC(=O)NCCCCl WXVL_AK00504YV0130 [0,0,0,0,0,0|3,0,0]=3 40 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [0,0,0,0,0,0|4,0,0]=4 41 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [0,0,0,0,0,0|4,0,0]=4 42 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [0,0,0,0,0,0|4,0,0]=4 43 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [0,0,0,0,0,0|4,0,0]=4 44 B10R0.91 CCSCC(=O)NCCCO WXVL_AK0073SB0002 [0,0,0,0,0,0|4,0,0]=4 45 B10R0.91 CCSCC(=O)NCCCO WXVL_AK0073SB0002 [0,0,0,0,0,0|4,0,0]=4 46 B10R0.91 CCSCC(=O)NCCSC WXVL_AK00440SB0002 [0,0,0,0,0,0|4,0,0]=4 47 B10R0.91 CCSCC(=O)NCCSC WXVL_AK00440SB0002 [0,0,0,0,0,0|4,0,0]=4 48 B10R0.91 COCCC(=O)NCCCO WXVL_AK0073SB0156 [0,0,0,0,0,0|4,0,0]=4 49 B10R0.91 COCCC(=O)NCCCO WXVL_AK0073SB0156 [0,0,0,0,0,0|4,0,0]=4 50 B10R0.91 COCCC(=O)NCCSC WXVL_AK00440SB0156 [0,0,0,0,0,0|4,0,0]=4 51 B10R0.91 COCCC(=O)NCCSC WXVL_AK00440SB0156 [0,0,0,0,0,0|4,0,0]=4 52 B10R0.91 CSCCC(=O)NCCCO WXVL_AK0073SB0361 [0,0,0,0,0,0|4,0,0]=4 53 B10R0.91 CSCCC(=O)NCCCO WXVL_AK0073SB0361 [0,0,0,0,0,0|4,0,0]=4 54 B10R0.91 CSCCNC(=O)CCSC WXVL_AK00440SB0361 [0,0,0,0,0,0|4,0,0]=4 55 B10R0.91 CSCCNC(=O)CCSC WXVL_AK00440SB0361 [0,0,0,0,0,0|4,0,0]=4 56 B10R0.91 CSCCNC(=O)NCCCl WXVL_AK00440YV0092 [0,0,0,0,0,0|4,0,0]=4 57 B10R0.91 CSCCNC(=O)NCCCl WXVL_AK00440YV0092 [0,0,0,0,0,0|4,0,0]=4 58 B10R0.91 N#CCNC(=O)CCCCBr WXVL_AK0683SB3153 [0,0,0,0,0,0|3,0,1]=4 59 B10R0.91 N#CCNC(=O)CCCCBr WXVL_AK0683SB3153 [0,0,0,0,0,0|3,0,1]=4 60 B10R0.91 N#CCNC(=O)CCCCCl WXVL_AK0683SB0379 [0,0,0,0,0,0|3,0,1]=4 61 B10R0.91 N#CCNC(=O)CCCCCl WXVL_AK0683SB0379 [0,0,0,0,0,0|3,0,1]=4 62 B10R0.91 O=C(CCCCBr)NCCF WXVL_AK00466SB3153 [0,0,0,0,0,0|3,0,0]=3 63 B10R0.91 O=C(CCCCBr)NCCF WXVL_AK00466SB3153 [0,0,0,0,0,0|3,0,0]=3 64 B10R0.91 O=C(CCCCCl)NCCF WXVL_AK00466SB0379 [0,0,0,0,0,0|3,0,0]=3 65 B10R0.91 O=C(CCCCCl)NCCF WXVL_AK00466SB0379 [0,0,0,0,0,0|3,0,0]=3 66 B10R0.91 O=C(NCCCl)NCCCO WXVL_AK0073YV0092 [0,0,0,0,0,0|4,0,0]=4 67 B10R0.91 O=C(NCCCl)NCCCO WXVL_AK0073YV0092 [0,0,0,0,0,0|4,0,0]=4 68 B10R0.91 O=C(NCCF)NCCCCl WXVL_AK00466YV0130 [0,0,0,0,0,0|4,0,0]=4 69 B10R0.91 O=C(NCCF)NCCCCl WXVL_AK00466YV0130 [0,0,0,0,0,0|4,0,0]=4 70 B9R0.5 C#CCC(=O)NCCCC WXVL_AK00588SB3070 [1,0,0,0,0,0|1,0,2]=4 71 B9R0.5 C#CCC(=O)NCCCC WXVL_AK00588SB3070 [1,0,0,0,0,0|1,0,2]=4 72 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [1,0,0,0,0,0|1,0,2]=4 73 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [1,0,0,0,0,0|1,0,2]=4 74 B9R0.5 C#CCCNC(=O)CCC WXVL_AK3109SB0073 [1,0,0,0,0,0|1,0,2]=4 75 B9R0.5 C#CCCNC(=O)CCC WXVL_AK3109SB0073 [1,0,0,0,0,0|1,0,2]=4 76 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [1,0,0,0,0,0|1,0,2]=4 77 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [1,0,0,0,0,0|1,0,2]=4 78 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [1,0,0,0,0,0|1,0,2]=4 79 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [1,0,0,0,0,0|1,0,2]=4 80 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [1,0,0,0,0,0|1,0,2]=4 81 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [1,0,0,0,0,0|1,0,2]=4 82 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [1,0,0,0,0,0|1,0,2]=4 83 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [1,0,0,0,0,0|1,0,2]=4 84 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [1,0,0,0,0,0|1,0,2]=4 85 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [1,0,0,0,0,0|1,0,2]=4 86 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [1,0,0,0,0,0|1,0,2]=4 87 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [1,0,0,0,0,0|1,0,2]=4 88 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [1,0,0,0,0,0|2,0,1]=4 89 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [1,0,0,0,0,0|2,0,1]=4 90 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [1,0,0,0,0,0|2,0,0]=3 91 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [1,0,0,0,0,0|2,0,0]=3 92 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [1,0,0,0,0,0|2,0,0]=3 93 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [1,0,0,0,0,0|2,0,0]=3 94 B9R0.5 CCCCNC(=O)CC#N WXVL_AK00588SB0057 [1,0,0,0,0,0|2,0,1]=4 95 B9R0.5 CCCCNC(=O)CC#N WXVL_AK00588SB0057 [1,0,0,0,0,0|2,0,1]=4 96 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [1,0,0,0,0,0|1,0,0]=2 97 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [1,0,0,0,0,0|1,0,0]=2 98 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [1,0,0,0,0,0|2,0,0]=3 99 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [1,0,0,0,0,0|2,0,0]=3 100 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [1,0,0,0,0,0|2,0,0]=3 101 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [1,0,0,0,0,0|2,0,0]=3 102 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [1,0,0,0,0,0|2,0,0]=3 103 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [1,0,0,0,0,0|2,0,0]=3 104 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [1,0,0,0,0,0|2,0,0]=3 105 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [1,0,0,0,0,0|2,0,0]=3 106 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [1,0,0,0,0,0|3,0,0]=4 107 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [1,0,0,0,0,0|3,0,0]=4 108 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [1,0,0,0,0,0|3,0,0]=4 109 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [1,0,0,0,0,0|3,0,0]=4 110 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [1,0,0,0,0,0|3,0,0]=4 111 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [1,0,0,0,0,0|3,0,0]=4 112 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [1,0,0,0,0,0|3,0,0]=4 113 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [1,0,0,0,0,0|3,0,0]=4 114 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [1,0,0,0,0,0|3,0,0]=4 115 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [1,0,0,0,0,0|3,0,0]=4 116 B9R0.18 C#CCCC(=O)NCCC WXVL_AK00504SB2189 [1,0,0,0,0,0|1,0,2]=4 117 B9R0.18 C#CCCC(=O)NCCC WXVL_AK00504SB2189 [1,0,0,0,0,0|1,0,2]=4 118 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [1,0,0,0,0,0|1,0,2]=4 119 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [1,0,0,0,0,0|1,0,2]=4 120 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [1,0,0,0,0,0|2,0,0]=3 121 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [1,0,0,0,0,0|2,0,0]=3 122 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [1,0,0,0,0,0|2,0,0]=3 123 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [1,0,0,0,0,0|2,0,0]=3 124 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [1,0,0,0,0,0|2,0,0]=3 125 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [1,0,0,0,0,0|2,0,0]=3 126 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [1,0,0,0,0,0|2,0,0]=3 127 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [1,0,0,0,0,0|2,0,0]=3 128 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [1,0,0,0,0,0|3,0,0]=4 129 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [1,0,0,0,0,0|3,0,0]=4 130 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [1,0,0,0,0,0|3,0,0]=4 131 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [1,0,0,0,0,0|3,0,0]=4 132 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [1,0,0,0,0,0|3,0,0]=4 133 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [1,0,0,0,0,0|3,0,0]=4 134 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [1,0,0,0,0,0|3,0,0]=4 135 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [1,0,0,0,0,0|3,0,0]=4 136 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [1,0,0,0,0,0|3,0,0]=4 137 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [1,0,0,0,0,0|3,0,0]=4 138 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [0,1,0,0,0,0|2,0,1]=4 139 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [0,1,0,0,0,0|2,0,1]=4 140 B11R0.5 CCC[C@H](C)NC(=O)CCOC WXVL_AK00682SB0156 [0,1,0,0,0,0|3,0,0]=4 141 B11R0.5 CCC[C@H](C)NC(=O)CCOC WXVL_AK00682SB0156 [0,1,0,0,0,0|3,0,0]=4 142 B11R0.5 CCC[C@H](C)NC(=O)CCSC WXVL_AK00682SB0361 [0,1,0,0,0,0|3,0,0]=4 143 B11R0.5 CCC[C@H](C)NC(=O)CCSC WXVL_AK00682SB0361 [0,1,0,0,0,0|3,0,0]=4 144 B11R0.5 CCC[C@H](C)NC(=O)COCC WXVL_AK00682SB0091 [0,1,0,0,0,0|3,0,0]=4 145 B11R0.5 CCC[C@H](C)NC(=O)COCC WXVL_AK00682SB0091 [0,1,0,0,0,0|3,0,0]=4 146 B11R0.5 CCC[C@H](C)NC(=O)CSCC WXVL_AK00682SB0002 [0,1,0,0,0,0|3,0,0]=4 147 B11R0.5 CCC[C@H](C)NC(=O)CSCC WXVL_AK00682SB0002 [0,1,0,0,0,0|3,0,0]=4 148 B11R0.5 CCC[C@H](C)NC(=O)NCCCl WXVL_AK00682YV0092 [0,1,0,0,0,0|3,0,0]=4 149 B11R0.5 CCC[C@H](C)NC(=O)NCCCl WXVL_AK00682YV0092 [0,1,0,0,0,0|3,0,0]=4 150 B11R0.11 C=CCNC(=O)C(O)CCCC WXVL_AK00561SB3429 [0,1,0,0,0,0|1,0,2]=4 151 B11R0.11 C=CCNC(=O)C(O)CCCC WXVL_AK00561SB3429 [0,1,0,0,0,0|1,0,2]=4 152 B11R0.11 CCCCC(O)C(=O)NCC#N WXVL_AK0683SB3429 [0,1,0,0,0,0|2,0,1]=4 153 B11R0.11 CCCCC(O)C(=O)NCC#N WXVL_AK0683SB3429 [0,1,0,0,0,0|2,0,1]=4 154 B11R0.11 CCCCC(O)C(=O)NCCC WXVL_AK00504SB3429 [0,1,0,0,0,0|1,0,0]=2 155 B11R0.11 CCCCC(O)C(=O)NCCC WXVL_AK00504SB3429 [0,1,0,0,0,0|1,0,0]=2 156 B11R0.11 CCCCC(O)C(=O)NCCF WXVL_AK00466SB3429 [0,1,0,0,0,0|2,0,0]=3 157 B11R0.11 CCCCC(O)C(=O)NCCF WXVL_AK00466SB3429 [0,1,0,0,0,0|2,0,0]=3 158 B11R0.46 C#CCCCC(=O)NCC(C)C WXVL_AK00544SB2709 [0,1,0,0,0,0|1,0,2]=4 159 B11R0.46 C#CCCCC(=O)NCC(C)C WXVL_AK00544SB2709 [0,1,0,0,0,0|1,0,2]=4 160 B11R0.46 C#CCCCC(=O)NCC(C)O WXVL_AK0052SB2709 [0,1,0,0,0,0|1,0,2]=4 161 B11R0.46 C#CCCCC(=O)NCC(C)O WXVL_AK0052SB2709 [0,1,0,0,0,0|1,0,2]=4 162 B11R0.46 C#CCCCC(=O)NC[C@H](C)O WXVL_AK0113SB2709 [0,1,0,0,0,0|1,0,2]=4 163 B11R0.46 C#CCCCC(=O)NC[C@H](C)O WXVL_AK0113SB2709 [0,1,0,0,0,0|1,0,2]=4 164 B11R0.46 C=C(C)CNC(=O)CCCCBr WXVL_AK0761SB3153 [0,1,0,0,0,0|2,0,1]=4 165 B11R0.46 C=C(C)CNC(=O)CCCCBr WXVL_AK0761SB3153 [0,1,0,0,0,0|2,0,1]=4 166 B11R0.46 C=C(C)CNC(=O)CCCCCl WXVL_AK0761SB0379 [0,1,0,0,0,0|2,0,1]=4 167 B11R0.46 C=C(C)CNC(=O)CCCCCl WXVL_AK0761SB0379 [0,1,0,0,0,0|2,0,1]=4 168 B11R0.46 C=CCCCC(=O)NCC(C)C WXVL_AK00544SB2920 [0,1,0,0,0,0|1,0,2]=4 169 B11R0.46 C=CCCCC(=O)NCC(C)C WXVL_AK00544SB2920 [0,1,0,0,0,0|1,0,2]=4 170 B11R0.46 C=CCCCC(=O)NCC(C)O WXVL_AK0052SB2920 [0,1,0,0,0,0|1,0,2]=4 171 B11R0.46 C=CCCCC(=O)NCC(C)O WXVL_AK0052SB2920 [0,1,0,0,0,0|1,0,2]=4 172 B11R0.46 C=CCCCC(=O)NC[C@H](C)O WXVL_AK0113SB2920 [0,1,0,0,0,0|1,0,2]=4 173 B11R0.46 C=CCCCC(=O)NC[C@H](C)O WXVL_AK0113SB2920 [0,1,0,0,0,0|1,0,2]=4 174 B11R0.46 CC(C)CCC(=O)NCCCO WXVL_AK0073SB0354 [0,1,0,0,0,0|3,0,0]=4 175 B11R0.46 CC(C)CCC(=O)NCCCO WXVL_AK0073SB0354 [0,1,0,0,0,0|3,0,0]=4 176 B11R0.46 CC(C)CNC(=O)CCCCBr WXVL_AK00544SB3153 [0,1,0,0,0,0|2,0,0]=3 177 B11R0.46 CC(C)CNC(=O)CCCCBr WXVL_AK00544SB3153 [0,1,0,0,0,0|2,0,0]=3 178 B11R0.46 CC(C)CNC(=O)CCCCCl WXVL_AK00544SB0379 [0,1,0,0,0,0|2,0,0]=3 179 B11R0.46 CC(C)CNC(=O)CCCCCl WXVL_AK00544SB0379 [0,1,0,0,0,0|2,0,0]=3 180 B11R0.46 CC(C)CNC(=O)NCCCCl WXVL_AK00544YV0130 [0,1,0,0,0,0|3,0,0]=4 181 B11R0.46 CC(C)CNC(=O)NCCCCl WXVL_AK00544YV0130 [0,1,0,0,0,0|3,0,0]=4 182 B11R0.46 CC(O)CNC(=O)CCCCBr WXVL_AK0052SB3153 [0,1,0,0,0,0|2,0,0]=3 183 B11R0.46 CC(O)CNC(=O)CCCCBr WXVL_AK0052SB3153 [0,1,0,0,0,0|2,0,0]=3 184 B11R0.46 CC(O)CNC(=O)CCCCCl WXVL_AK0052SB0379 [0,1,0,0,0,0|2,0,0]=3 185 B11R0.46 CC(O)CNC(=O)CCCCCl WXVL_AK0052SB0379 [0,1,0,0,0,0|2,0,0]=3 186 B11R0.46 CC(O)CNC(=O)NCCCCl WXVL_AK0052YV0130 [0,1,0,0,0,0|3,0,0]=4 187 B11R0.46 CC(O)CNC(=O)NCCCCl WXVL_AK0052YV0130 [0,1,0,0,0,0|3,0,0]=4 188 B11R0.46 CC/C=C/CC(=O)NCC(C)C WXVL_AK00544SB0349 [0,1,0,0,0,0|1,0,2]=4 189 B11R0.46 CC/C=C/CC(=O)NCC(C)C WXVL_AK00544SB0349 [0,1,0,0,0,0|1,0,2]=4 190 B11R0.46 CC/C=C/CC(=O)NCC(C)O WXVL_AK0052SB0349 [0,1,0,0,0,0|1,0,2]=4 191 B11R0.46 CC/C=C/CC(=O)NCC(C)O WXVL_AK0052SB0349 [0,1,0,0,0,0|1,0,2]=4 192 B11R0.46 CC/C=C/CC(=O)NC[C@H](C)O WXVL_AK0113SB0349 [0,1,0,0,0,0|1,0,2]=4 193 B11R0.46 CC/C=C/CC(=O)NC[C@H](C)O WXVL_AK0113SB0349 [0,1,0,0,0,0|1,0,2]=4 194 B11R0.46 CCCCNC(=O)/C=C/C(C)C WXVL_AK00588SB0036 [0,1,0,0,0,0|2,0,1]=4 195 B11R0.46 CCCCNC(=O)/C=C/C(C)C WXVL_AK00588SB0036 [0,1,0,0,0,0|2,0,1]=4 196 B11R0.46 CCCCNC(=O)CCC(=O)C WXVL_AK00588SB0072 [0,1,0,0,0,0|2,0,1]=4 197 B11R0.46 CCCCNC(=O)CCC(=O)C WXVL_AK00588SB0072 [0,1,0,0,0,0|2,0,1]=4 198 B11R0.46 CCCCNC(=O)CCC(C)C WXVL_AK00588SB0354 [0,1,0,0,0,0|2,0,0]=3 199 B11R0.46 CCCCNC(=O)CCC(C)C WXVL_AK00588SB0354 [0,1,0,0,0,0|2,0,0]=3 200 B11R0.46 CCCCNC(=O)CCN(C)C WXVL_AK00588SB00052 [0,1,0,0,0,0|3,0,0]=4 201 B11R0.46 CCCCNC(=O)CCN(C)C WXVL_AK00588SB00052 [0,1,0,0,0,0|3,0,0]=4 202 B11R0.46 CCCCNC(=O)COC(C)C WXVL_AK00588SB0213 [0,1,0,0,0,0|3,0,0]=4 203 B11R0.46 CCCCNC(=O)COC(C)C WXVL_AK00588SB0213 [0,1,0,0,0,0|3,0,0]=4 204 B11R0.46 CSCCNC(=O)CCC(C)C WXVL_AK00440SB0354 [0,1,0,0,0,0|3,0,0]=4 205 B11R0.46 CSCCNC(=O)CCC(C)C WXVL_AK00440SB0354 [0,1,0,0,0,0|3,0,0]=4 206 B11R0.46 C[C@H](O)CNC(=O)CCCCBr WXVL_AK0113SB3153 [0,1,0,0,0,0|2,0,0]=3 207 B11R0.46 C[C@H](O)CNC(=O)CCCCBr WXVL_AK0113SB3153 [0,1,0,0,0,0|2,0,0]=3 208 B11R0.46 C[C@H](O)CNC(=O)CCCCCl WXVL_AK0113SB0379 [0,1,0,0,0,0|2,0,0]=3 209 B11R0.46 C[C@H](O)CNC(=O)CCCCCl WXVL_AK0113SB0379 [0,1,0,0,0,0|2,0,0]=3 210 B11R0.46 C[C@H](O)CNC(=O)NCCCCl WXVL_AK0113YV0130 [0,1,0,0,0,0|3,0,0]=4 211 B11R0.46 C[C@H](O)CNC(=O)NCCCCl WXVL_AK0113YV0130 [0,1,0,0,0,0|3,0,0]=4 212 B11R0.46 O=C(CCCCBr)NCC(F)F WXVL_AK0136SB3153 [0,1,0,0,0,0|3,0,0]=4 213 B11R0.46 O=C(CCCCBr)NCC(F)F WXVL_AK0136SB3153 [0,1,0,0,0,0|3,0,0]=4 214 B11R0.46 O=C(CCCCCl)NCC(F)F WXVL_AK0136SB0379 [0,1,0,0,0,0|3,0,0]=4 215 B11R0.46 O=C(CCCCCl)NCC(F)F WXVL_AK0136SB0379 [0,1,0,0,0,0|3,0,0]=4 216 B11R0.70 CCCNC(=O)CCC(=O)OC WXVL_AK00504SB0069 [0,1,0,0,0,0|2,0,1]=4 217 B11R0.70 CCCNC(=O)CCC(=O)OC WXVL_AK00504SB0069 [0,1,0,0,0,0|2,0,1]=4 218 B11R0.81 C#CCCC(=O)NCCCCC WXVL_AK0076SB2189 [0,1,0,0,0,0|1,0,2]=4 219 B11R0.81 C#CCCC(=O)NCCCCC WXVL_AK0076SB2189 [0,1,0,0,0,0|1,0,2]=4 220 B11R0.81 C#CCOCCC(=O)NCCC WXVL_AK00504SBD927 [0,1,0,0,0,0|1,0,2]=4 221 B11R0.81 C#CCOCCC(=O)NCCC WXVL_AK00504SBD927 [0,1,0,0,0,0|1,0,2]=4 222 B11R0.81 C=CCCC(=O)NCCCCC WXVL_AK0076SB1035 [0,1,0,0,0,0|1,0,2]=4 223 B11R0.81 C=CCCC(=O)NCCCCC WXVL_AK0076SB1035 [0,1,0,0,0,0|1,0,2]=4 224 B11R0.81 C=CCNC(=O)CCCCCBr WXVL_AK00561SB2192 [0,1,0,0,0,0|1,0,2]=4 225 B11R0.81 C=CCNC(=O)CCCCCBr WXVL_AK00561SB2192 [0,1,0,0,0,0|1,0,2]=4 226 B11R0.81 C=CCNC(=O)CCCCCO WXVL_AK00561SB2973 [0,1,0,0,0,0|1,0,2]=4 227 B11R0.81 C=CCNC(=O)CCCCCO WXVL_AK00561SB2973 [0,1,0,0,0,0|1,0,2]=4 228 B11R0.81 CCCCCNC(=O)/C=C/CBr WXVL_AK0076SB0424 [0,1,0,0,0,0|2,0,1]=4 229 B11R0.81 CCCCCNC(=O)/C=C/CBr WXVL_AK0076SB0424 [0,1,0,0,0,0|2,0,1]=4 230 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [0,1,0,0,0,0|2,0,0]=3 231 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [0,1,0,0,0,0|2,0,0]=3 232 B11R0.81 CCCCCNC(=O)CCSC WXVL_AK0076SB0361 [0,1,0,0,0,0|2,0,0]=3 233 B11R0.81 CCCCCNC(=O)CCSC WXVL_AK0076SB0361 [0,1,0,0,0,0|2,0,0]=3 234 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [0,1,0,0,0,0|2,0,0]=3 235 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [0,1,0,0,0,0|2,0,0]=3 236 B11R0.81 CCCCCNC(=O)CSCC WXVL_AK0076SB0002 [0,1,0,0,0,0|2,0,0]=3 237 B11R0.81 CCCCCNC(=O)CSCC WXVL_AK0076SB0002 [0,1,0,0,0,0|2,0,0]=3 238 B11R0.81 CCCCCNC(=O)NCCCl WXVL_AK0076YV0092 [0,1,0,0,0,0|2,0,0]=3 239 B11R0.81 CCCCCNC(=O)NCCCl WXVL_AK0076YV0092 [0,1,0,0,0,0|2,0,0]=3 240 B11R0.81 CCCNC(=O)CCCCCBr WXVL_AK00504SB2192 [0,1,0,0,0,0|1,0,0]=2 241 B11R0.81 CCCNC(=O)CCCCCBr WXVL_AK00504SB2192 [0,1,0,0,0,0|1,0,0]=2 242 B11R0.81 CCCNC(=O)CCCCCO WXVL_AK00504SB2973 [0,1,0,0,0,0|1,0,0]=2 243 B11R0.81 CCCNC(=O)CCCCCO WXVL_AK00504SB2973 [0,1,0,0,0,0|1,0,0]=2 244 B11R0.81 CCCNC(=O)COCCOC WXVL_AK00504SB0159 [0,1,0,0,0,0|2,0,0]=3 245 B11R0.81 CCCNC(=O)COCCOC WXVL_AK00504SB0159 [0,1,0,0,0,0|2,0,0]=3 246 B11R0.81 CCOCC(=O)NCCCCO WXVL_AK0075SB0091 [0,1,0,0,0,0|3,0,0]=4 247 B11R0.81 CCOCC(=O)NCCCCO WXVL_AK0075SB0091 [0,1,0,0,0,0|3,0,0]=4 248 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [0,1,0,0,0,0|3,0,0]=4 249 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [0,1,0,0,0,0|3,0,0]=4 250 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [0,1,0,0,0,0|3,0,0]=4 251 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [0,1,0,0,0,0|3,0,0]=4 252 B11R0.81 CCOCC(=O)NCCSCC WXVL_AK00494SB0091 [0,1,0,0,0,0|3,0,0]=4 253 B11R0.81 CCOCC(=O)NCCSCC WXVL_AK00494SB0091 [0,1,0,0,0,0|3,0,0]=4 254 B11R0.81 CCSCC(=O)NCCCCO WXVL_AK0075SB0002 [0,1,0,0,0,0|3,0,0]=4 255 B11R0.81 CCSCC(=O)NCCCCO WXVL_AK0075SB0002 [0,1,0,0,0,0|3,0,0]=4 256 B11R0.81 CCSCC(=O)NCCCOC WXVL_AK00637SB0002 [0,1,0,0,0,0|3,0,0]=4 257 B11R0.81 CCSCC(=O)NCCCOC WXVL_AK00637SB0002 [0,1,0,0,0,0|3,0,0]=4 258 B11R0.81 CCSCC(=O)NCCCSC WXVL_AK0965SB0002 [0,1,0,0,0,0|3,0,0]=4 259 B11R0.81 CCSCC(=O)NCCCSC WXVL_AK0965SB0002 [0,1,0,0,0,0|3,0,0]=4 260 B11R0.81 CCSCCNC(=O)CCOC WXVL_AK00494SB0156 [0,1,0,0,0,0|3,0,0]=4 261 B11R0.81 CCSCCNC(=O)CCOC WXVL_AK00494SB0156 [0,1,0,0,0,0|3,0,0]=4 262 B11R0.81 CCSCCNC(=O)CCSC WXVL_AK00494SB0361 [0,1,0,0,0,0|3,0,0]=4 263 B11R0.81 CCSCCNC(=O)CCSC WXVL_AK00494SB0361 [0,1,0,0,0,0|3,0,0]=4 264 B11R0.81 CCSCCNC(=O)CSCC WXVL_AK00494SB0002 [0,1,0,0,0,0|3,0,0]=4 265 B11R0.81 CCSCCNC(=O)CSCC WXVL_AK00494SB0002 [0,1,0,0,0,0|3,0,0]=4 266 B11R0.81 CCSCCNC(=O)NCCCl WXVL_AK00494YV0092 [0,1,0,0,0,0|3,0,0]=4 267 B11R0.81 CCSCCNC(=O)NCCCl WXVL_AK00494YV0092 [0,1,0,0,0,0|3,0,0]=4 268 B11R0.81 COCCC(=O)NCCCCO WXVL_AK0075SB0156 [0,1,0,0,0,0|3,0,0]=4 269 B11R0.81 COCCC(=O)NCCCCO WXVL_AK0075SB0156 [0,1,0,0,0,0|3,0,0]=4 270 B11R0.81 COCCC(=O)NCCCSC WXVL_AK0965SB0156 [0,1,0,0,0,0|3,0,0]=4 271 B11R0.81 COCCC(=O)NCCCSC WXVL_AK0965SB0156 [0,1,0,0,0,0|3,0,0]=4 272 B11R0.81 COCCCNC(=O)CCOC WXVL_AK00637SB0156 [0,1,0,0,0,0|3,0,0]=4 273 B11R0.81 COCCCNC(=O)CCOC WXVL_AK00637SB0156 [0,1,0,0,0,0|3,0,0]=4 274 B11R0.81 COCCCNC(=O)CCSC WXVL_AK00637SB0361 [0,1,0,0,0,0|3,0,0]=4 275 B11R0.81 COCCCNC(=O)CCSC WXVL_AK00637SB0361 [0,1,0,0,0,0|3,0,0]=4 276 B11R0.81 COCCCNC(=O)NCCCl WXVL_AK00637YV0092 [0,1,0,0,0,0|3,0,0]=4 277 B11R0.81 COCCCNC(=O)NCCCl WXVL_AK00637YV0092 [0,1,0,0,0,0|3,0,0]=4 278 B11R0.81 COCCOCC(=O)NCCF WXVL_AK00466SB0159 [0,1,0,0,0,0|3,0,0]=4 279 B11R0.81 COCCOCC(=O)NCCF WXVL_AK00466SB0159 [0,1,0,0,0,0|3,0,0]=4 280 B11R0.81 CSCCC(=O)NCCCCO WXVL_AK0075SB0361 [0,1,0,0,0,0|3,0,0]=4 281 B11R0.81 CSCCC(=O)NCCCCO WXVL_AK0075SB0361 [0,1,0,0,0,0|3,0,0]=4 282 B11R0.81 CSCCCNC(=O)CCSC WXVL_AK0965SB0361 [0,1,0,0,0,0|3,0,0]=4 283 B11R0.81 CSCCCNC(=O)CCSC WXVL_AK0965SB0361 [0,1,0,0,0,0|3,0,0]=4 284 B11R0.81 CSCCCNC(=O)NCCCl WXVL_AK0965YV0092 [0,1,0,0,0,0|3,0,0]=4 285 B11R0.81 CSCCCNC(=O)NCCCl WXVL_AK0965YV0092 [0,1,0,0,0,0|3,0,0]=4 286 B11R0.81 N#CCNC(=O)CCCCCBr WXVL_AK0683SB2192 [0,1,0,0,0,0|2,0,1]=4 287 B11R0.81 N#CCNC(=O)CCCCCBr WXVL_AK0683SB2192 [0,1,0,0,0,0|2,0,1]=4 288 B11R0.81 N#CCNC(=O)CCCCCO WXVL_AK0683SB2973 [0,1,0,0,0,0|2,0,1]=4 289 B11R0.81 N#CCNC(=O)CCCCCO WXVL_AK0683SB2973 [0,1,0,0,0,0|2,0,1]=4 290 B11R0.81 O=C(CCCCCBr)NCCF WXVL_AK00466SB2192 [0,1,0,0,0,0|2,0,0]=3 291 B11R0.81 O=C(CCCCCBr)NCCF WXVL_AK00466SB2192 [0,1,0,0,0,0|2,0,0]=3 292 B11R0.81 O=C(CCCCCO)NCCF WXVL_AK00466SB2973 [0,1,0,0,0,0|2,0,0]=3 293 B11R0.81 O=C(CCCCCO)NCCF WXVL_AK00466SB2973 [0,1,0,0,0,0|2,0,0]=3 294 B11R0.81 O=C(NCCCl)NCCCCO WXVL_AK0075YV0092 [0,1,0,0,0,0|3,0,0]=4 295 B11R0.81 O=C(NCCCl)NCCCCO WXVL_AK0075YV0092 [0,1,0,0,0,0|3,0,0]=4 296 B11R0.140 C#CCCCC(=O)NCCCC WXVL_AK00588SB2709 [0,1,0,0,0,0|1,0,2]=4 297 B11R0.140 C#CCCCC(=O)NCCCC WXVL_AK00588SB2709 [0,1,0,0,0,0|1,0,2]=4 298 B11R0.140 C#CCCCC(=O)NCCCO WXVL_AK0073SB2709 [0,1,0,0,0,0|1,0,2]=4 299 B11R0.140 C#CCCCC(=O)NCCCO WXVL_AK0073SB2709 [0,1,0,0,0,0|1,0,2]=4 300 B11R0.140 C#CCCCC(=O)NCCSC WXVL_AK00440SB2709 [0,1,0,0,0,0|1,0,2]=4 301 B11R0.140 C#CCCCC(=O)NCCSC WXVL_AK00440SB2709 [0,1,0,0,0,0|1,0,2]=4 302 B11R0.140 C#CCCNC(=O)CCCCBr WXVL_AK3109SB3153 [0,1,0,0,0,0|2,0,1]=4 303 B11R0.140 C#CCCNC(=O)CCCCBr WXVL_AK3109SB3153 [0,1,0,0,0,0|2,0,1]=4 304 B11R0.140 C#CCCNC(=O)CCCCCl WXVL_AK3109SB0379 [0,1,0,0,0,0|2,0,1]=4 305 B11R0.140 C#CCCNC(=O)CCCCCl WXVL_AK3109SB0379 [0,1,0,0,0,0|2,0,1]=4 306 B11R0.140 C=CCCCC(=O)NCCCC WXVL_AK00588SB2920 [0,1,0,0,0,0|1,0,2]=4 307 B11R0.140 C=CCCCC(=O)NCCCC WXVL_AK00588SB2920 [0,1,0,0,0,0|1,0,2]=4 308 B11R0.140 C=CCCCC(=O)NCCCO WXVL_AK0073SB2920 [0,1,0,0,0,0|1,0,2]=4 309 B11R0.140 C=CCCCC(=O)NCCCO WXVL_AK0073SB2920 [0,1,0,0,0,0|1,0,2]=4 310 B11R0.140 C=CCCCC(=O)NCCSC WXVL_AK00440SB2920 [0,1,0,0,0,0|1,0,2]=4 311 B11R0.140 C=CCCCC(=O)NCCSC WXVL_AK00440SB2920 [0,1,0,0,0,0|1,0,2]=4 312 B11R0.140 C=CCCNC(=O)CCCCBr WXVL_AK00138SB3153 [0,1,0,0,0,0|2,0,1]=4 313 B11R0.140 C=CCCNC(=O)CCCCBr WXVL_AK00138SB3153 [0,1,0,0,0,0|2,0,1]=4 314 B11R0.140 C=CCCNC(=O)CCCCCl WXVL_AK00138SB0379 [0,1,0,0,0,0|2,0,1]=4 315 B11R0.140 C=CCCNC(=O)CCCCCl WXVL_AK00138SB0379 [0,1,0,0,0,0|2,0,1]=4 316 B11R0.140 CC/C=C/CC(=O)NCCCC WXVL_AK00588SB0349 [0,1,0,0,0,0|1,0,2]=4 317 B11R0.140 CC/C=C/CC(=O)NCCCC WXVL_AK00588SB0349 [0,1,0,0,0,0|1,0,2]=4 318 B11R0.140 CC/C=C/CC(=O)NCCCO WXVL_AK0073SB0349 [0,1,0,0,0,0|1,0,2]=4 319 B11R0.140 CC/C=C/CC(=O)NCCCO WXVL_AK0073SB0349 [0,1,0,0,0,0|1,0,2]=4 320 B11R0.140 CC/C=C/CC(=O)NCCSC WXVL_AK00440SB0349 [0,1,0,0,0,0|1,0,2]=4 321 B11R0.140 CC/C=C/CC(=O)NCCSC WXVL_AK00440SB0349 [0,1,0,0,0,0|1,0,2]=4 322 B11R0.140 CCCCNC(=O)/C=C/OCC WXVL_AK00588SB3226 [0,1,0,0,0,0|2,0,1]=4 323 B11R0.140 CCCCNC(=O)/C=C/OCC WXVL_AK00588SB3226 [0,1,0,0,0,0|2,0,1]=4 324 B11R0.140 CCCCNC(=O)CCCCBr WXVL_AK00588SB3153 [0,1,0,0,0,0|2,0,0]=3 325 B11R0.140 CCCCNC(=O)CCCCBr WXVL_AK00588SB3153 [0,1,0,0,0,0|2,0,0]=3 326 B11R0.140 CCCCNC(=O)CCCCCl WXVL_AK00588SB0379 [0,1,0,0,0,0|2,0,0]=3 327 B11R0.140 CCCCNC(=O)CCCCCl WXVL_AK00588SB0379 [0,1,0,0,0,0|2,0,0]=3 328 B11R0.140 CCCCNC(=O)NCCCCl WXVL_AK00588YV0130 [0,1,0,0,0,0|2,0,0]=3 329 B11R0.140 CCCCNC(=O)NCCCCl WXVL_AK00588YV0130 [0,1,0,0,0,0|2,0,0]=3 330 B11R0.140 CSCCNC(=O)CCCCBr WXVL_AK00440SB3153 [0,1,0,0,0,0|2,0,0]=3 331 B11R0.140 CSCCNC(=O)CCCCBr WXVL_AK00440SB3153 [0,1,0,0,0,0|2,0,0]=3 332 B11R0.140 CSCCNC(=O)CCCCCl WXVL_AK00440SB0379 [0,1,0,0,0,0|2,0,0]=3 333 B11R0.140 CSCCNC(=O)CCCCCl WXVL_AK00440SB0379 [0,1,0,0,0,0|2,0,0]=3 334 B11R0.140 CSCCNC(=O)NCCCCl WXVL_AK00440YV0130 [0,1,0,0,0,0|3,0,0]=4 335 B11R0.140 CSCCNC(=O)NCCCCl WXVL_AK00440YV0130 [0,1,0,0,0,0|3,0,0]=4 336 B11R0.140 N#CCCNC(=O)CCCCBr WXVL_AK0087SB3153 [0,1,0,0,0,0|2,0,1]=4 337 B11R0.140 N#CCCNC(=O)CCCCBr WXVL_AK0087SB3153 [0,1,0,0,0,0|2,0,1]=4 338 B11R0.140 N#CCCNC(=O)CCCCCl WXVL_AK0087SB0379 [0,1,0,0,0,0|2,0,1]=4 339 B11R0.140 N#CCCNC(=O)CCCCCl WXVL_AK0087SB0379 [0,1,0,0,0,0|2,0,1]=4 340 B11R0.140 O=C(CCCCBr)NCCCO WXVL_AK0073SB3153 [0,1,0,0,0,0|2,0,0]=3 341 B11R0.140 O=C(CCCCBr)NCCCO WXVL_AK0073SB3153 [0,1,0,0,0,0|2,0,0]=3 342 B11R0.140 O=C(CCCCCl)NCCCO WXVL_AK0073SB0379 [0,1,0,0,0,0|2,0,0]=3 343 B11R0.140 O=C(CCCCCl)NCCCO WXVL_AK0073SB0379 [0,1,0,0,0,0|2,0,0]=3 344 B11R0.140 O=C(NCCCO)NCCCCl WXVL_AK0073YV0130 [0,1,0,0,0,0|3,0,0]=4 345 B11R0.140 O=C(NCCCO)NCCCCl WXVL_AK0073YV0130 [0,1,0,0,0,0|3,0,0]=4 346 B11R0.147 C=CCNC(=O)CCCC(C)C WXVL_AK00561SB1301 [0,1,0,0,0,0|1,0,2]=4 347 B11R0.147 C=CCNC(=O)CCCC(C)C WXVL_AK00561SB1301 [0,1,0,0,0,0|1,0,2]=4 348 B11R0.147 CC(C)CCCC(=O)NCC#N WXVL_AK0683SB1301 [0,1,0,0,0,0|2,0,1]=4 349 B11R0.147 CC(C)CCCC(=O)NCC#N WXVL_AK0683SB1301 [0,1,0,0,0,0|2,0,1]=4 350 B11R0.147 CC(C)CCCC(=O)NCCF WXVL_AK00466SB1301 [0,1,0,0,0,0|2,0,0]=3 351 B11R0.147 CC(C)CCCC(=O)NCCF WXVL_AK00466SB1301 [0,1,0,0,0,0|2,0,0]=3 352 B11R0.147 CC(C)CCNC(=O)NCCCl WXVL_AK0068YV0092 [0,1,0,0,0,0|3,0,0]=4 353 B11R0.147 CC(C)CCNC(=O)NCCCl WXVL_AK0068YV0092 [0,1,0,0,0,0|3,0,0]=4 354 B11R0.147 CCCNC(=O)CCC=C(C)C WXVL_AK00504SB00030 [0,1,0,0,0,0|1,0,2]=4 355 B11R0.147 CCCNC(=O)CCC=C(C)C WXVL_AK00504SB00030 [0,1,0,0,0,0|1,0,2]=4 356 B11R0.147 CCCNC(=O)CCCC(C)C WXVL_AK00504SB1301 [0,1,0,0,0,0|1,0,0]=2 357 B11R0.147 CCCNC(=O)CCCC(C)C WXVL_AK00504SB1301 [0,1,0,0,0,0|1,0,0]=2 358 B11R0.147 CCCNC(=O)CCCN(C)C WXVL_AK00504SB00055 [0,1,0,0,0,0|2,0,0]=3 359 B11R0.147 CCCNC(=O)CCCN(C)C WXVL_AK00504SB00055 [0,1,0,0,0,0|2,0,0]=3 360 B11R0.147 CCCNC(=O)CCNC(=O)C WXVL_AK00504SB0374 [0,1,0,0,0,0|2,0,1]=4 361 B11R0.147 CCCNC(=O)CCNC(=O)C WXVL_AK00504SB0374 [0,1,0,0,0,0|2,0,1]=4 362 B11R0.147 CCOCC(=O)NCCC(C)C WXVL_AK0068SB0091 [0,1,0,0,0,0|3,0,0]=4 363 B11R0.147 CCOCC(=O)NCCC(C)C WXVL_AK0068SB0091 [0,1,0,0,0,0|3,0,0]=4 364 B11R0.147 CCSCC(=O)NCCC(C)C WXVL_AK0068SB0002 [0,1,0,0,0,0|3,0,0]=4 365 B11R0.147 CCSCC(=O)NCCC(C)C WXVL_AK0068SB0002 [0,1,0,0,0,0|3,0,0]=4 366 B11R0.147 CN(C)CCCC(=O)NCCF WXVL_AK00466SB00055 [0,1,0,0,0,0|3,0,0]=4 367 B11R0.147 CN(C)CCCC(=O)NCCF WXVL_AK00466SB00055 [0,1,0,0,0,0|3,0,0]=4 368 B11R0.147 COCCC(=O)NCCC(C)C WXVL_AK0068SB0156 [0,1,0,0,0,0|3,0,0]=4 369 B11R0.147 COCCC(=O)NCCC(C)C WXVL_AK0068SB0156 [0,1,0,0,0,0|3,0,0]=4 370 B11R0.147 CSCCC(=O)NCCC(C)C WXVL_AK0068SB0361 [0,1,0,0,0,0|3,0,0]=4 371 B11R0.147 CSCCC(=O)NCCC(C)C WXVL_AK0068SB0361 [0,1,0,0,0,0|3,0,0]=4 372 B11R0.154 C#CCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB2709 [0,1,0,0,0,0|1,0,2]=4 373 B11R0.154 C#CCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB2709 [0,1,0,0,0,0|1,0,2]=4 374 B11R0.154 C=CCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB2920 [0,1,0,0,0,0|1,0,2]=4 375 B11R0.154 C=CCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB2920 [0,1,0,0,0,0|1,0,2]=4 376 B11R0.154 CC/C=C/CC(=O)N[C@@H](C)CC WXVL_AK00678SB0349 [0,1,0,0,0,0|1,0,2]=4 377 B11R0.154 CC/C=C/CC(=O)N[C@@H](C)CC WXVL_AK00678SB0349 [0,1,0,0,0,0|1,0,2]=4 378 B11R0.154 CCC(C)CC(=O)NCCCO WXVL_AK0073SB0353 [0,1,0,0,0,0|3,0,0]=4 379 B11R0.154 CCC(C)CC(=O)NCCCO WXVL_AK0073SB0353 [0,1,0,0,0,0|3,0,0]=4 380 B11R0.154 CCC(C)CC(=O)NCCSC WXVL_AK00440SB0353 [0,1,0,0,0,0|3,0,0]=4 381 B11R0.154 CCC(C)CC(=O)NCCSC WXVL_AK00440SB0353 [0,1,0,0,0,0|3,0,0]=4 382 B11R0.154 CCC(O)CC(=O)NCCCO WXVL_AK0073SB4092 [0,1,0,0,0,0|3,0,0]=4 383 B11R0.154 CCC(O)CC(=O)NCCCO WXVL_AK0073SB4092 [0,1,0,0,0,0|3,0,0]=4 384 B11R0.154 CCC(O)CC(=O)NCCSC WXVL_AK00440SB4092 [0,1,0,0,0,0|3,0,0]=4 385 B11R0.154 CCC(O)CC(=O)NCCSC WXVL_AK00440SB4092 [0,1,0,0,0,0|3,0,0]=4 386 B11R0.154 CCCCNC(=O)CC(C)CC WXVL_AK00588SB0353 [0,1,0,0,0,0|2,0,0]=3 387 B11R0.154 CCCCNC(=O)CC(C)CC WXVL_AK00588SB0353 [0,1,0,0,0,0|2,0,0]=3 388 B11R0.154 CCCCNC(=O)CC(O)CC WXVL_AK00588SB4092 [0,1,0,0,0,0|2,0,0]=3 389 B11R0.154 CCCCNC(=O)CC(O)CC WXVL_AK00588SB4092 [0,1,0,0,0,0|2,0,0]=3 390 B11R0.154 CCCCNC(=O)C[C@H](C)CC WXVL_AK00588SB8650 [0,1,0,0,0,0|2,0,0]=3 391 B11R0.154 CCCCNC(=O)C[C@H](C)CC WXVL_AK00588SB8650 [0,1,0,0,0,0|2,0,0]=3 392 B11R0.154 CC[C@@H](C)CC(=O)NCCCO WXVL_AK0073SB8650 [0,1,0,0,0,0|3,0,0]=4 393 B11R0.154 CC[C@@H](C)CC(=O)NCCCO WXVL_AK0073SB8650 [0,1,0,0,0,0|3,0,0]=4 394 B11R0.154 CC[C@@H](C)CC(=O)NCCSC WXVL_AK00440SB8650 [0,1,0,0,0,0|3,0,0]=4 395 B11R0.154 CC[C@@H](C)CC(=O)NCCSC WXVL_AK00440SB8650 [0,1,0,0,0,0|3,0,0]=4 396 B11R0.154 CC[C@H](C)NC(=O)CCCCBr WXVL_AK00678SB3153 [0,1,0,0,0,0|2,0,0]=3 397 B11R0.154 CC[C@H](C)NC(=O)CCCCBr WXVL_AK00678SB3153 [0,1,0,0,0,0|2,0,0]=3 398 B11R0.154 CC[C@H](C)NC(=O)CCCCCl WXVL_AK00678SB0379 [0,1,0,0,0,0|2,0,0]=3 399 B11R0.154 CC[C@H](C)NC(=O)CCCCCl WXVL_AK00678SB0379 [0,1,0,0,0,0|2,0,0]=3 400 B11R0.154 CC[C@H](C)NC(=O)NCCCCl WXVL_AK00678YV0130 [0,1,0,0,0,0|3,0,0]=4 401 B11R0.154 CC[C@H](C)NC(=O)NCCCCl WXVL_AK00678YV0130 [0,1,0,0,0,0|3,0,0]=4 402 B11R0.154 C[C@@H](CF)NC(=O)CCCCBr WXVL_AK00558SB3153 [0,1,0,0,0,0|3,0,0]=4 403 B11R0.154 C[C@@H](CF)NC(=O)CCCCBr WXVL_AK00558SB3153 [0,1,0,0,0,0|3,0,0]=4 404 B11R0.154 C[C@@H](CF)NC(=O)CCCCCl WXVL_AK00558SB0379 [0,1,0,0,0,0|3,0,0]=4 405 B11R0.154 C[C@@H](CF)NC(=O)CCCCCl WXVL_AK00558SB0379 [0,1,0,0,0,0|3,0,0]=4 406 B11R0.154 C[C@@H](CO)NC(=O)CCCCBr WXVL_AK0109SB3153 [0,1,0,0,0,0|3,0,0]=4 407 B11R0.154 C[C@@H](CO)NC(=O)CCCCBr WXVL_AK0109SB3153 [0,1,0,0,0,0|3,0,0]=4 408 B11R0.154 C[C@@H](CO)NC(=O)CCCCCl WXVL_AK0109SB0379 [0,1,0,0,0,0|3,0,0]=4 409 B11R0.154 C[C@@H](CO)NC(=O)CCCCCl WXVL_AK0109SB0379 [0,1,0,0,0,0|3,0,0]=4 410 B11R0.155 CC/C=C(\C)/C(=O)NCCCC WXVL_AK00588SB0037 [0,1,0,0,0,0|2,0,1]=4 411 B11R0.155 CC/C=C(\C)/C(=O)NCCCC WXVL_AK00588SB0037 [0,1,0,0,0,0|2,0,1]=4 412 B11R0.155 CCCC(C)C(=O)NCCCO WXVL_AK0073SB0352 [0,1,0,0,0,0|3,0,0]=4 413 B11R0.155 CCCC(C)C(=O)NCCCO WXVL_AK0073SB0352 [0,1,0,0,0,0|3,0,0]=4 414 B11R0.155 CCCC(C)C(=O)NCCSC WXVL_AK00440SB0352 [0,1,0,0,0,0|3,0,0]=4 415 B11R0.155 CCCC(C)C(=O)NCCSC WXVL_AK00440SB0352 [0,1,0,0,0,0|3,0,0]=4 416 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [0,1,0,0,0,0|3,0,0]=4 417 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [0,1,0,0,0,0|3,0,0]=4 418 B11R0.155 CCCCNC(=O)C(C)CCC WXVL_AK00588SB0352 [0,1,0,0,0,0|2,0,0]=3 419 B11R0.155 CCCCNC(=O)C(C)CCC WXVL_AK00588SB0352 [0,1,0,0,0,0|2,0,0]=3 420 B11R0.155 CCCCNC(=O)[C@@H](O)CCC WXVL_AK00588SB3627 [0,1,0,0,0,0|2,0,0]=3 421 B11R0.155 CCCCNC(=O)[C@@H](O)CCC WXVL_AK00588SB3627 [0,1,0,0,0,0|2,0,0]=3 422 B11R0.155 CCC[C@H](O)C(=O)NCCCO WXVL_AK0073SB3627 [0,1,0,0,0,0|3,0,0]=4 423 B11R0.155 CCC[C@H](O)C(=O)NCCCO WXVL_AK0073SB3627 [0,1,0,0,0,0|3,0,0]=4 424 B11R0.155 CCC[C@H](O)C(=O)NCCSC WXVL_AK00440SB3627 [0,1,0,0,0,0|3,0,0]=4 425 B11R0.155 CCC[C@H](O)C(=O)NCCSC WXVL_AK00440SB3627 [0,1,0,0,0,0|3,0,0]=4 426 B11R0.155 CN(CCO)C(=O)CCCCBr WXVL_AN2670SB3153 [0,1,0,0,0,0|3,0,0]=4 427 B11R0.155 CN(CCO)C(=O)CCCCBr WXVL_AN2670SB3153 [0,1,0,0,0,0|3,0,0]=4 428 B11R0.155 CN(CCO)C(=O)CCCCCl WXVL_AN2670SB0379 [0,1,0,0,0,0|3,0,0]=4 429 B11R0.155 CN(CCO)C(=O)CCCCCl WXVL_AN2670SB0379 [0,1,0,0,0,0|3,0,0]=4 430 B11R0.321 CCCCNS(=O)(=O)CCCC WXVL_AK00588HU0031 [0,1,0,0,0,0|3,0,0]=4 431 B11R0.321 CCCCNS(=O)(=O)CCCC WXVL_AK00588HU0031 [0,1,0,0,0,0|3,0,0]=4 432 B11R0.321 CCCNS(=O)(=O)CCCCCl WXVL_AK00504HU0456 [0,1,0,0,0,0|3,0,0]=4 433 B11R0.321 CCCNS(=O)(=O)CCCCCl WXVL_AK00504HU0456 [0,1,0,0,0,0|3,0,0]=4 434 B11R0.321 CCCNS(=O)(=O)CCOCC WXVL_AK00504HU0315 [0,1,0,0,0,0|3,0,0]=4 435 B11R0.321 CCCNS(=O)(=O)CCOCC WXVL_AK00504HU0315 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.29 C=CCNC(=O)C1CCCC1 WXVL_AK00561SB0043 [0,0,0,1,0,0|1,0,2]=4 437 B11R1.29 C=CCNC(=O)C1CCCC1 WXVL_AK00561SB0043 [0,0,0,1,0,0|1,0,2]=4 438 B11R1.29 CCCNC(=O)C1CCCC1 WXVL_AK00504SB0043 [0,0,0,1,0,0|1,0,0]=2 439 B11R1.29 CCCNC(=O)C1CCCC1 WXVL_AK00504SB0043 [0,0,0,1,0,0|1,0,0]=2 440 B11R1.29 CCCNC(=O)C1CCCO1 WXVL_AK00504SB1033 [0,0,0,1,0,0|2,0,0]=3 441 B11R1.29 CCCNC(=O)C1CCCO1 WXVL_AK00504SB1033 [0,0,0,1,0,0|2,0,0]=3 442 B11R1.29 CCCNC(=O)C1CCCS1 WXVL_AK00504SB0022 [0,0,0,1,0,0|2,0,0]=3 443 B11R1.29 CCCNC(=O)C1CCCS1 WXVL_AK00504SB0022 [0,0,0,1,0,0|2,0,0]=3 444 B11R1.29 CCCNC(=O)[C@H]1CCCO1 WXVL_AK00504SB00043 [0,0,0,1,0,0|2,0,0]=3 445 B11R1.29 CCCNC(=O)[C@H]1CCCO1 WXVL_AK00504SB00043 [0,0,0,1,0,0|2,0,0]=3 446 B11R1.29 CCOCC(=O)N1CCCC1 WXVL_AN0008SB0091 [0,0,0,1,0,0|3,0,0]=4 447 B11R1.29 CCOCC(=O)N1CCCC1 WXVL_AN0008SB0091 [0,0,0,1,0,0|3,0,0]=4 448 B11R1.29 CCSCC(=O)N1CCCC1 WXVL_AN0008SB0002 [0,0,0,1,0,0|3,0,0]=4 449 B11R1.29 CCSCC(=O)N1CCCC1 WXVL_AN0008SB0002 [0,0,0,1,0,0|3,0,0]=4 450 B11R1.29 COCCC(=O)N1CCCC1 WXVL_AN0008SB0156 [0,0,0,1,0,0|3,0,0]=4 451 B11R1.29 COCCC(=O)N1CCCC1 WXVL_AN0008SB0156 [0,0,0,1,0,0|3,0,0]=4 452 B11R1.29 CSCCC(=O)N1CCCC1 WXVL_AN0008SB0361 [0,0,0,1,0,0|3,0,0]=4 453 B11R1.29 CSCCC(=O)N1CCCC1 WXVL_AN0008SB0361 [0,0,0,1,0,0|3,0,0]=4 454 B11R1.29 N#CCNC(=O)C1CCCC1 WXVL_AK0683SB0043 [0,0,0,1,0,0|2,0,1]=4 455 B11R1.29 N#CCNC(=O)C1CCCC1 WXVL_AK0683SB0043 [0,0,0,1,0,0|2,0,1]=4 456 B11R1.29 O=C(NCCCl)N1CCCC1 WXVL_AN0008YV0092 [0,0,0,1,0,0|3,0,0]=4 457 B11R1.29 O=C(NCCCl)N1CCCC1 WXVL_AN0008YV0092 [0,0,0,1,0,0|3,0,0]=4 458 B11R1.29 O=C(NCCF)C1CCCC1 WXVL_AK00466SB0043 [0,0,0,1,0,0|2,0,0]=3 459 B11R1.29 O=C(NCCF)C1CCCC1 WXVL_AK00466SB0043 [0,0,0,1,0,0|2,0,0]=3 460 B11R1.29 O=C(NCCF)C1CCCO1 WXVL_AK00466SB1033 [0,0,0,1,0,0|3,0,0]=4 461 B11R1.29 O=C(NCCF)C1CCCO1 WXVL_AK00466SB1033 [0,0,0,1,0,0|3,0,0]=4 462 B11R1.29 O=C(NCCF)C1CCCS1 WXVL_AK00466SB0022 [0,0,0,1,0,0|3,0,0]=4 463 B11R1.29 O=C(NCCF)C1CCCS1 WXVL_AK00466SB0022 [0,0,0,1,0,0|3,0,0]=4 464 B11R1.29 O=C(NCCF)[C@H]1CCCO1 WXVL_AK00466SB00043 [0,0,0,1,0,0|3,0,0]=4 465 B11R1.29 O=C(NCCF)[C@H]1CCCO1 WXVL_AK00466SB00043 [0,0,0,1,0,0|3,0,0]=4 466 B11R1.284 C=CCNC(=O)CC1CCC1 WXVL_AK00561SB2207 [0,0,0,1,0,0|1,0,2]=4 467 B11R1.284 C=CCNC(=O)CC1CCC1 WXVL_AK00561SB2207 [0,0,0,1,0,0|1,0,2]=4 468 B11R1.284 CCCNC(=O)CC1CCC1 WXVL_AK00504SB2207 [0,0,0,1,0,0|1,0,0]=2 469 B11R1.284 CCCNC(=O)CC1CCC1 WXVL_AK00504SB2207 [0,0,0,1,0,0|1,0,0]=2 470 B11R1.284 N#CCNC(=O)CC1CCC1 WXVL_AK0683SB2207 [0,0,0,1,0,0|2,0,1]=4 471 B11R1.284 N#CCNC(=O)CC1CCC1 WXVL_AK0683SB2207 [0,0,0,1,0,0|2,0,1]=4 472 B11R1.284 O=C(CC1CCC1)NCCF WXVL_AK00466SB2207 [0,0,0,1,0,0|2,0,0]=3 473 B11R1.284 O=C(CC1CCC1)NCCF WXVL_AK00466SB2207 [0,0,0,1,0,0|2,0,0]=3 474 B11R1.285 C=CCNC(=O)CCC1CC1 WXVL_AK00561SB5360 [0,0,0,1,0,0|1,0,2]=4 475 B11R1.285 C=CCNC(=O)CCC1CC1 WXVL_AK00561SB5360 [0,0,0,1,0,0|1,0,2]=4 476 B11R1.285 CCCNC(=O)C=CC1CC1 WXVL_AK00504SB4216 [0,0,0,1,0,0|1,0,2]=4 477 B11R1.285 CCCNC(=O)C=CC1CC1 WXVL_AK00504SB4216 [0,0,0,1,0,0|1,0,2]=4 478 B11R1.285 CCCNC(=O)CCC1CC1 WXVL_AK00504SB5360 [0,0,0,1,0,0|1,0,0]=2 479 B11R1.285 CCCNC(=O)CCC1CC1 WXVL_AK00504SB5360 [0,0,0,1,0,0|1,0,0]=2 480 B11R1.285 N#CCNC(=O)CCC1CC1 WXVL_AK0683SB5360 [0,0,0,1,0,0|2,0,1]=4 481 B11R1.285 N#CCNC(=O)CCC1CC1 WXVL_AK0683SB5360 [0,0,0,1,0,0|2,0,1]=4 482 B11R1.285 O=C(CCC1CC1)NCCF WXVL_AK00466SB5360 [0,0,0,1,0,0|2,0,0]=3 483 B11R1.285 O=C(CCC1CC1)NCCF WXVL_AK00466SB5360 [0,0,0,1,0,0|2,0,0]=3 484 B11R1.299 CCCCNC(=O)C1CCC1 WXVL_AK00588SB0042 [0,0,0,1,0,0|2,0,0]=3 485 B11R1.299 CCCCNC(=O)C1CCC1 WXVL_AK00588SB0042 [0,0,0,1,0,0|2,0,0]=3 486 B11R1.299 CSCCNC(=O)C1CCC1 WXVL_AK00440SB0042 [0,0,0,1,0,0|3,0,0]=4 487 B11R1.299 CSCCNC(=O)C1CCC1 WXVL_AK00440SB0042 [0,0,0,1,0,0|3,0,0]=4 488 B11R1.299 O=C(NCCCO)C1CCC1 WXVL_AK0073SB0042 [0,0,0,1,0,0|3,0,0]=4 489 B11R1.299 O=C(NCCCO)C1CCC1 WXVL_AK0073SB0042 [0,0,0,1,0,0|3,0,0]=4 490 B11R1.301 C#CCCCC(=O)NC1CC1 WXVL_AK0001SB2709 [0,0,0,1,0,0|1,0,2]=4 491 B11R1.301 C#CCCCC(=O)NC1CC1 WXVL_AK0001SB2709 [0,0,0,1,0,0|1,0,2]=4 492 B11R1.301 C=CCCCC(=O)NC1CC1 WXVL_AK0001SB2920 [0,0,0,1,0,0|1,0,2]=4 493 B11R1.301 C=CCCCC(=O)NC1CC1 WXVL_AK0001SB2920 [0,0,0,1,0,0|1,0,2]=4 494 B11R1.301 CC/C=C/CC(=O)NC1CC1 WXVL_AK0001SB0349 [0,0,0,1,0,0|1,0,2]=4 495 B11R1.301 CC/C=C/CC(=O)NC1CC1 WXVL_AK0001SB0349 [0,0,0,1,0,0|1,0,2]=4 496 B11R1.301 CCCCNC(=O)CC1CC1 WXVL_AK00588SB0155 [0,0,0,1,0,0|2,0,0]=3 497 B11R1.301 CCCCNC(=O)CC1CC1 WXVL_AK00588SB0155 [0,0,0,1,0,0|2,0,0]=3 498 B11R1.301 CSCCNC(=O)CC1CC1 WXVL_AK00440SB0155 [0,0,0,1,0,0|3,0,0]=4 499 B11R1.301 CSCCNC(=O)CC1CC1 WXVL_AK00440SB0155 [0,0,0,1,0,0|3,0,0]=4 500 B11R1.301 O=C(CC1CC1)NCCCO WXVL_AK0073SB0155 [0,0,0,1,0,0|3,0,0]=4 501 B11R1.301 O=C(CC1CC1)NCCCO WXVL_AK0073SB0155 [0,0,0,1,0,0|3,0,0]=4 502 B11R1.301 O=C(CCCCBr)NC1CC1 WXVL_AK0001SB3153 [0,0,0,1,0,0|2,0,0]=3 503 B11R1.301 O=C(CCCCBr)NC1CC1 WXVL_AK0001SB3153 [0,0,0,1,0,0|2,0,0]=3 504 B11R1.301 O=C(CCCCCl)NC1CC1 WXVL_AK0001SB0379 [0,0,0,1,0,0|2,0,0]=3 505 B11R1.301 O=C(CCCCCl)NC1CC1 WXVL_AK0001SB0379 [0,0,0,1,0,0|2,0,0]=3 506 B11R1.301 O=C(NCCCCl)NC1CC1 WXVL_AK0001YV0130 [0,0,0,1,0,0|3,0,0]=4 507 B11R1.301 O=C(NCCCCl)NC1CC1 WXVL_AK0001YV0130 [0,0,0,1,0,0|3,0,0]=4 508 B11R1.1034 CC1CC1C(=O)NCCCO WXVL_AK0073SB0041 [0,0,0,1,0,0|3,0,0]=4 509 B11R1.1034 CC1CC1C(=O)NCCCO WXVL_AK0073SB0041 [0,0,0,1,0,0|3,0,0]=4 510 B11R1.1034 CCCCNC(=O)C1CC1C WXVL_AK00588SB0041 [0,0,0,1,0,0|2,0,0]=3 511 B11R1.1034 CCCCNC(=O)C1CC1C WXVL_AK00588SB0041 [0,0,0,1,0,0|2,0,0]=3 512 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00588SB1245 [0,0,0,1,0,0|3,0,0]=4 513 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00588SB1245 [0,0,0,1,0,0|3,0,0]=4 514 B11R1.1034 CCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK00588SB00019 [0,0,0,1,0,0|3,0,0]=4 515 B11R1.1034 CCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK00588SB00019 [0,0,0,1,0,0|3,0,0]=4 516 B11R1.1034 CSCCNC(=O)C1CC1C WXVL_AK00440SB0041 [0,0,0,1,0,0|3,0,0]=4 517 B11R1.1034 CSCCNC(=O)C1CC1C WXVL_AK00440SB0041 [0,0,0,1,0,0|3,0,0]=4 518 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [2,0,0,0,0,0|2,0,0]=4 519 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [2,0,0,0,0,0|2,0,0]=4 520 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [2,0,0,0,0,0|1,0,0]=3 521 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [2,0,0,0,0,0|1,0,0]=3 522 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [2,0,0,0,0,0|2,0,0]=4 523 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [2,0,0,0,0,0|2,0,0]=4 524 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [2,0,0,0,0,0|2,0,0]=4 525 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [2,0,0,0,0,0|2,0,0]=4 526 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [2,0,0,0,0,0|2,0,0]=4 527 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [2,0,0,0,0,0|2,0,0]=4 528 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [2,0,0,0,0,0|2,0,0]=4 529 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [2,0,0,0,0,0|2,0,0]=4 530 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [2,0,0,0,0,0|2,0,0]=4 531 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [2,0,0,0,0,0|2,0,0]=4 532 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [2,0,0,0,0,0|2,0,0]=4 533 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [2,0,0,0,0,0|2,0,0]=4 534 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [2,0,0,0,0,0|2,0,0]=4 535 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [2,0,0,0,0,0|2,0,0]=4 536 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [2,0,0,0,0,0|2,0,0]=4 537 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [2,0,0,0,0,0|2,0,0]=4 538 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [2,0,0,0,0,0|1,0,0]=3 539 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [2,0,0,0,0,0|1,0,0]=3 540 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [2,0,0,0,0,0|2,0,0]=4 541 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [2,0,0,0,0,0|2,0,0]=4 542 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [2,0,0,0,0,0|2,0,0]=4 543 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [2,0,0,0,0,0|2,0,0]=4 544 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [2,0,0,0,0,0|2,0,0]=4 545 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [2,0,0,0,0,0|2,0,0]=4 546 B10R0.1 C#CCC(=O)NCCCCC WXVL_AK0076SB3070 [1,1,0,0,0,0|0,0,2]=4 547 B10R0.1 C#CCC(=O)NCCCCC WXVL_AK0076SB3070 [1,1,0,0,0,0|0,0,2]=4 548 B10R0.1 C#CCCCNC(=O)CCC WXVL_AK00218SB0073 [1,1,0,0,0,0|0,0,2]=4 549 B10R0.1 C#CCCCNC(=O)CCC WXVL_AK00218SB0073 [1,1,0,0,0,0|0,0,2]=4 550 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [1,1,0,0,0,0|0,0,2]=4 551 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [1,1,0,0,0,0|0,0,2]=4 552 B10R0.1 C=CCC(=O)NCCCCC WXVL_AK0076SB2732 [1,1,0,0,0,0|0,0,2]=4 553 B10R0.1 C=CCC(=O)NCCCCC WXVL_AK0076SB2732 [1,1,0,0,0,0|0,0,2]=4 554 B10R0.1 CC#CC(=O)NCCCCC WXVL_AK0076SB1240 [1,1,0,0,0,0|0,0,2]=4 555 B10R0.1 CC#CC(=O)NCCCCC WXVL_AK0076SB1240 [1,1,0,0,0,0|0,0,2]=4 556 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [1,1,0,0,0,0|1,0,0]=3 557 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [1,1,0,0,0,0|1,0,0]=3 558 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [1,1,0,0,0,0|1,0,0]=3 559 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [1,1,0,0,0,0|1,0,0]=3 560 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [1,1,0,0,0,0|1,0,0]=3 561 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [1,1,0,0,0,0|1,0,0]=3 562 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [1,1,0,0,0,0|1,0,0]=3 563 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [1,1,0,0,0,0|1,0,0]=3 564 B10R0.1 CCCCCNC(=O)CC#N WXVL_AK0076SB0057 [1,1,0,0,0,0|1,0,1]=4 565 B10R0.1 CCCCCNC(=O)CC#N WXVL_AK0076SB0057 [1,1,0,0,0,0|1,0,1]=4 566 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [1,1,0,0,0,0|0,0,0]=2 567 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [1,1,0,0,0,0|0,0,0]=2 568 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [1,1,0,0,0,0|1,0,0]=3 569 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [1,1,0,0,0,0|1,0,0]=3 570 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [1,1,0,0,0,0|1,0,0]=3 571 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [1,1,0,0,0,0|1,0,0]=3 572 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [1,1,0,0,0,0|1,0,0]=3 573 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [1,1,0,0,0,0|1,0,0]=3 574 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [1,1,0,0,0,0|1,0,0]=3 575 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [1,1,0,0,0,0|1,0,0]=3 576 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [1,1,0,0,0,0|2,0,0]=4 577 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [1,1,0,0,0,0|2,0,0]=4 578 B10R0.1 CCSCCNC(=O)COC WXVL_AK00494SB0090 [1,1,0,0,0,0|2,0,0]=4 579 B10R0.1 CCSCCNC(=O)COC WXVL_AK00494SB0090 [1,1,0,0,0,0|2,0,0]=4 580 B10R0.1 CCSCCNC(=O)CSC WXVL_AK00494SB1267 [1,1,0,0,0,0|2,0,0]=4 581 B10R0.1 CCSCCNC(=O)CSC WXVL_AK00494SB1267 [1,1,0,0,0,0|2,0,0]=4 582 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [1,1,0,0,0,0|2,0,0]=4 583 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [1,1,0,0,0,0|2,0,0]=4 584 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [1,1,0,0,0,0|2,0,0]=4 585 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [1,1,0,0,0,0|2,0,0]=4 586 B10R0.1 COCCCNC(=O)COC WXVL_AK00637SB0090 [1,1,0,0,0,0|2,0,0]=4 587 B10R0.1 COCCCNC(=O)COC WXVL_AK00637SB0090 [1,1,0,0,0,0|2,0,0]=4 588 B10R0.1 COCCCNC(=O)CSC WXVL_AK00637SB1267 [1,1,0,0,0,0|2,0,0]=4 589 B10R0.1 COCCCNC(=O)CSC WXVL_AK00637SB1267 [1,1,0,0,0,0|2,0,0]=4 590 B10R0.1 CSCC(=O)NCCCCO WXVL_AK0075SB1267 [1,1,0,0,0,0|2,0,0]=4 591 B10R0.1 CSCC(=O)NCCCCO WXVL_AK0075SB1267 [1,1,0,0,0,0|2,0,0]=4 592 B10R0.1 CSCCCNC(=O)CSC WXVL_AK0965SB1267 [1,1,0,0,0,0|2,0,0]=4 593 B10R0.1 CSCCCNC(=O)CSC WXVL_AK0965SB1267 [1,1,0,0,0,0|2,0,0]=4 594 B10R0.2 CCCC(=O)NC(C)CCO WXVL_AK1288SB0073 [1,1,0,0,0,0|2,0,0]=4 595 B10R0.2 CCCC(=O)NC(C)CCO WXVL_AK1288SB0073 [1,1,0,0,0,0|2,0,0]=4 596 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [1,1,0,0,0,0|1,0,0]=3 597 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [1,1,0,0,0,0|1,0,0]=3 598 B10R0.2 CCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0073 [1,1,0,0,0,0|2,0,0]=4 599 B10R0.2 CCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0073 [1,1,0,0,0,0|2,0,0]=4 600 B10R0.2 CCCC(=O)N[C@H](C)COC WXVL_AK00613SB0073 [1,1,0,0,0,0|2,0,0]=4 601 B10R0.2 CCCC(=O)N[C@H](C)COC WXVL_AK00613SB0073 [1,1,0,0,0,0|2,0,0]=4 602 B10R0.2 CCC[C@H](C)NC(=O)COC WXVL_AK00682SB0090 [1,1,0,0,0,0|2,0,0]=4 603 B10R0.2 CCC[C@H](C)NC(=O)COC WXVL_AK00682SB0090 [1,1,0,0,0,0|2,0,0]=4 604 B10R0.2 CCC[C@H](C)NC(=O)CSC WXVL_AK00682SB1267 [1,1,0,0,0,0|2,0,0]=4 605 B10R0.2 CCC[C@H](C)NC(=O)CSC WXVL_AK00682SB1267 [1,1,0,0,0,0|2,0,0]=4 606 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [1,1,0,0,0,0|1,0,1]=4 607 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [1,1,0,0,0,0|1,0,1]=4 608 B10R0.3 CCCC(=O)NCCC(C)C WXVL_AK0068SB0073 [1,1,0,0,0,0|1,0,0]=3 609 B10R0.3 CCCC(=O)NCCC(C)C WXVL_AK0068SB0073 [1,1,0,0,0,0|1,0,0]=3 610 B10R0.3 CCCC(=O)NCCN(C)C WXVL_AK0058SB0073 [1,1,0,0,0,0|2,0,0]=4 611 B10R0.3 CCCC(=O)NCCN(C)C WXVL_AK0058SB0073 [1,1,0,0,0,0|2,0,0]=4 612 B10R0.3 CCNC(=O)CCCC(C)C WXVL_AK00476SB1301 [1,1,0,0,0,0|1,0,0]=3 613 B10R0.3 CCNC(=O)CCCC(C)C WXVL_AK00476SB1301 [1,1,0,0,0,0|1,0,0]=3 614 B10R0.3 CCNC(=O)CCCN(C)C WXVL_AK00476SB00055 [1,1,0,0,0,0|2,0,0]=4 615 B10R0.3 CCNC(=O)CCCN(C)C WXVL_AK00476SB00055 [1,1,0,0,0,0|2,0,0]=4 616 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [1,1,0,0,0,0|1,0,1]=4 617 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [1,1,0,0,0,0|1,0,1]=4 618 B10R0.3 COCC(=O)NCCC(C)C WXVL_AK0068SB0090 [1,1,0,0,0,0|2,0,0]=4 619 B10R0.3 COCC(=O)NCCC(C)C WXVL_AK0068SB0090 [1,1,0,0,0,0|2,0,0]=4 620 B10R0.3 CSCC(=O)NCCC(C)C WXVL_AK0068SB1267 [1,1,0,0,0,0|2,0,0]=4 621 B10R0.3 CSCC(=O)NCCC(C)C WXVL_AK0068SB1267 [1,1,0,0,0,0|2,0,0]=4 622 B10R0.6 CC(C)CC(=O)NCCCO WXVL_AK0073SB0063 [1,1,0,0,0,0|2,0,0]=4 623 B10R0.6 CC(C)CC(=O)NCCCO WXVL_AK0073SB0063 [1,1,0,0,0,0|2,0,0]=4 624 B10R0.6 CC(C)NC(=O)CCCCBr WXVL_AK0030SB3153 [1,1,0,0,0,0|2,0,0]=4 625 B10R0.6 CC(C)NC(=O)CCCCBr WXVL_AK0030SB3153 [1,1,0,0,0,0|2,0,0]=4 626 B10R0.6 CC(C)NC(=O)CCCCCl WXVL_AK0030SB0379 [1,1,0,0,0,0|2,0,0]=4 627 B10R0.6 CC(C)NC(=O)CCCCCl WXVL_AK0030SB0379 [1,1,0,0,0,0|2,0,0]=4 628 B10R0.6 CC(O)CC(=O)NCCCO WXVL_AK0073SB3643 [1,1,0,0,0,0|2,0,0]=4 629 B10R0.6 CC(O)CC(=O)NCCCO WXVL_AK0073SB3643 [1,1,0,0,0,0|2,0,0]=4 630 B10R0.6 CCCCNC(=O)CC(C)C WXVL_AK00588SB0063 [1,1,0,0,0,0|1,0,0]=3 631 B10R0.6 CCCCNC(=O)CC(C)C WXVL_AK00588SB0063 [1,1,0,0,0,0|1,0,0]=3 632 B10R0.6 CCCCNC(=O)CC(C)O WXVL_AK00588SB3643 [1,1,0,0,0,0|1,0,0]=3 633 B10R0.6 CCCCNC(=O)CC(C)O WXVL_AK00588SB3643 [1,1,0,0,0,0|1,0,0]=3 634 B10R0.6 CCCCNC(=O)CN(C)C WXVL_AK00588SB0085 [1,1,0,0,0,0|2,0,0]=4 635 B10R0.6 CCCCNC(=O)CN(C)C WXVL_AK00588SB0085 [1,1,0,0,0,0|2,0,0]=4 636 B10R0.6 CSCCNC(=O)CC(C)C WXVL_AK00440SB0063 [1,1,0,0,0,0|2,0,0]=4 637 B10R0.6 CSCCNC(=O)CC(C)C WXVL_AK00440SB0063 [1,1,0,0,0,0|2,0,0]=4 638 B10R0.6 CSCCNC(=O)CC(C)O WXVL_AK00440SB3643 [1,1,0,0,0,0|2,0,0]=4 639 B10R0.6 CSCCNC(=O)CC(C)O WXVL_AK00440SB3643 [1,1,0,0,0,0|2,0,0]=4 640 B10R0.19 CCCC(=O)N(C)CCOC WXVL_AN0085SB0073 [1,1,0,0,0,0|2,0,0]=4 641 B10R0.19 CCCC(=O)N(C)CCOC WXVL_AN0085SB0073 [1,1,0,0,0,0|2,0,0]=4 642 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [1,1,0,0,0,0|1,0,0]=3 643 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [1,1,0,0,0,0|1,0,0]=3 644 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [1,1,0,0,0,0|1,0,1]=4 645 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [1,1,0,0,0,0|1,0,1]=4 646 B10R0.83 CCC(C)C(=O)NCCCO WXVL_AK0073SB0054 [1,1,0,0,0,0|2,0,0]=4 647 B10R0.83 CCC(C)C(=O)NCCCO WXVL_AK0073SB0054 [1,1,0,0,0,0|2,0,0]=4 648 B10R0.83 CCC(C)C(=O)NCCSC WXVL_AK00440SB0054 [1,1,0,0,0,0|2,0,0]=4 649 B10R0.83 CCC(C)C(=O)NCCSC WXVL_AK00440SB0054 [1,1,0,0,0,0|2,0,0]=4 650 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [1,1,0,0,0,0|1,0,1]=4 651 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [1,1,0,0,0,0|1,0,1]=4 652 B10R0.83 CCCCNC(=O)C(C)CC WXVL_AK00588SB0054 [1,1,0,0,0,0|1,0,0]=3 653 B10R0.83 CCCCNC(=O)C(C)CC WXVL_AK00588SB0054 [1,1,0,0,0,0|1,0,0]=3 654 B10R0.83 CCCCNC(=O)[C@@H](C)OC WXVL_AK00588SB2926 [1,1,0,0,0,0|2,0,0]=4 655 B10R0.83 CCCCNC(=O)[C@@H](C)OC WXVL_AK00588SB2926 [1,1,0,0,0,0|2,0,0]=4 656 B10R0.83 CCCCNC(=O)[C@@H](O)CC WXVL_AK00588SB3573 [1,1,0,0,0,0|1,0,0]=3 657 B10R0.83 CCCCNC(=O)[C@@H](O)CC WXVL_AK00588SB3573 [1,1,0,0,0,0|1,0,0]=3 658 B10R0.83 CCCCNC(=O)[C@H](C)CC WXVL_AK00588SB00054 [1,1,0,0,0,0|1,0,0]=3 659 B10R0.83 CCCCNC(=O)[C@H](C)CC WXVL_AK00588SB00054 [1,1,0,0,0,0|1,0,0]=3 660 B10R0.83 CC[C@@H](C)C(=O)NCCCO WXVL_AK0073SB00054 [1,1,0,0,0,0|2,0,0]=4 661 B10R0.83 CC[C@@H](C)C(=O)NCCCO WXVL_AK0073SB00054 [1,1,0,0,0,0|2,0,0]=4 662 B10R0.83 CC[C@@H](C)C(=O)NCCSC WXVL_AK00440SB00054 [1,1,0,0,0,0|2,0,0]=4 663 B10R0.83 CC[C@@H](C)C(=O)NCCSC WXVL_AK00440SB00054 [1,1,0,0,0,0|2,0,0]=4 664 B10R0.83 CC[C@H](O)C(=O)NCCCO WXVL_AK0073SB3573 [1,1,0,0,0,0|2,0,0]=4 665 B10R0.83 CC[C@H](O)C(=O)NCCCO WXVL_AK0073SB3573 [1,1,0,0,0,0|2,0,0]=4 666 B10R0.83 CC[C@H](O)C(=O)NCCSC WXVL_AK00440SB3573 [1,1,0,0,0,0|2,0,0]=4 667 B10R0.83 CC[C@H](O)C(=O)NCCSC WXVL_AK00440SB3573 [1,1,0,0,0,0|2,0,0]=4 668 B10R0.108 CCCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0073 [1,1,0,0,0,0|2,0,0]=4 669 B10R0.108 CCCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0073 [1,1,0,0,0,0|2,0,0]=4 670 B10R0.108 CCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0073 [1,1,0,0,0,0|2,0,0]=4 671 B10R0.108 CCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0073 [1,1,0,0,0,0|2,0,0]=4 672 B10R0.108 CCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0073 [1,1,0,0,0,0|2,0,0]=4 673 B10R0.108 CCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0073 [1,1,0,0,0,0|2,0,0]=4 674 B10R0.156 CCCCNS(=O)(=O)CCC WXVL_AK00588HU0030 [1,1,0,0,0,0|2,0,0]=4 675 B10R0.156 CCCCNS(=O)(=O)CCC WXVL_AK00588HU0030 [1,1,0,0,0,0|2,0,0]=4 676 B10R0.18 CCC(C)CC(=O)NCCF WXVL_AK00466SB0353 [1,1,0,0,0,0|2,0,0]=4 677 B10R0.18 CCC(C)CC(=O)NCCF WXVL_AK00466SB0353 [1,1,0,0,0,0|2,0,0]=4 678 B10R0.18 CCC(O)CC(=O)NCCF WXVL_AK00466SB4092 [1,1,0,0,0,0|2,0,0]=4 679 B10R0.18 CCC(O)CC(=O)NCCF WXVL_AK00466SB4092 [1,1,0,0,0,0|2,0,0]=4 680 B10R0.18 CCCNC(=O)CC(C)CC WXVL_AK00504SB0353 [1,1,0,0,0,0|1,0,0]=3 681 B10R0.18 CCCNC(=O)CC(C)CC WXVL_AK00504SB0353 [1,1,0,0,0,0|1,0,0]=3 682 B10R0.18 CCCNC(=O)CC(O)CC WXVL_AK00504SB4092 [1,1,0,0,0,0|1,0,0]=3 683 B10R0.18 CCCNC(=O)CC(O)CC WXVL_AK00504SB4092 [1,1,0,0,0,0|1,0,0]=3 684 B10R0.18 CCCNC(=O)C[C@H](C)CC WXVL_AK00504SB8650 [1,1,0,0,0,0|1,0,0]=3 685 B10R0.18 CCCNC(=O)C[C@H](C)CC WXVL_AK00504SB8650 [1,1,0,0,0,0|1,0,0]=3 686 B10R0.18 CCOCC(=O)N[C@@H](C)CC WXVL_AK00678SB0091 [1,1,0,0,0,0|2,0,0]=4 687 B10R0.18 CCOCC(=O)N[C@@H](C)CC WXVL_AK00678SB0091 [1,1,0,0,0,0|2,0,0]=4 688 B10R0.18 CCSCC(=O)N[C@@H](C)CC WXVL_AK00678SB0002 [1,1,0,0,0,0|2,0,0]=4 689 B10R0.18 CCSCC(=O)N[C@@H](C)CC WXVL_AK00678SB0002 [1,1,0,0,0,0|2,0,0]=4 690 B10R0.18 CC[C@@H](C)CC(=O)NCCF WXVL_AK00466SB8650 [1,1,0,0,0,0|2,0,0]=4 691 B10R0.18 CC[C@@H](C)CC(=O)NCCF WXVL_AK00466SB8650 [1,1,0,0,0,0|2,0,0]=4 692 B10R0.18 CC[C@H](C)NC(=O)CCOC WXVL_AK00678SB0156 [1,1,0,0,0,0|2,0,0]=4 693 B10R0.18 CC[C@H](C)NC(=O)CCOC WXVL_AK00678SB0156 [1,1,0,0,0,0|2,0,0]=4 694 B10R0.18 CC[C@H](C)NC(=O)CCSC WXVL_AK00678SB0361 [1,1,0,0,0,0|2,0,0]=4 695 B10R0.18 CC[C@H](C)NC(=O)CCSC WXVL_AK00678SB0361 [1,1,0,0,0,0|2,0,0]=4 696 B10R0.78 CC(C)CCC(=O)NCCF WXVL_AK00466SB0354 [1,1,0,0,0,0|2,0,0]=4 697 B10R0.78 CC(C)CCC(=O)NCCF WXVL_AK00466SB0354 [1,1,0,0,0,0|2,0,0]=4 698 B10R0.78 CCCNC(=O)CCC(=O)C WXVL_AK00504SB0072 [1,1,0,0,0,0|1,0,1]=4 699 B10R0.78 CCCNC(=O)CCC(=O)C WXVL_AK00504SB0072 [1,1,0,0,0,0|1,0,1]=4 700 B10R0.78 CCCNC(=O)CCC(C)C WXVL_AK00504SB0354 [1,1,0,0,0,0|1,0,0]=3 701 B10R0.78 CCCNC(=O)CCC(C)C WXVL_AK00504SB0354 [1,1,0,0,0,0|1,0,0]=3 702 B10R0.78 CCCNC(=O)CCN(C)C WXVL_AK00504SB00052 [1,1,0,0,0,0|2,0,0]=4 703 B10R0.78 CCCNC(=O)CCN(C)C WXVL_AK00504SB00052 [1,1,0,0,0,0|2,0,0]=4 704 B10R0.78 CCCNC(=O)COC(C)C WXVL_AK00504SB0213 [1,1,0,0,0,0|2,0,0]=4 705 B10R0.78 CCCNC(=O)COC(C)C WXVL_AK00504SB0213 [1,1,0,0,0,0|2,0,0]=4 706 B10R0.78 CCOCC(=O)NCC(C)C WXVL_AK00544SB0091 [1,1,0,0,0,0|2,0,0]=4 707 B10R0.78 CCOCC(=O)NCC(C)C WXVL_AK00544SB0091 [1,1,0,0,0,0|2,0,0]=4 708 B10R0.78 CCOCC(=O)NCC(C)O WXVL_AK0052SB0091 [1,1,0,0,0,0|2,0,0]=4 709 B10R0.78 CCOCC(=O)NCC(C)O WXVL_AK0052SB0091 [1,1,0,0,0,0|2,0,0]=4 710 B10R0.78 CCOCC(=O)NC[C@H](C)O WXVL_AK0113SB0091 [1,1,0,0,0,0|2,0,0]=4 711 B10R0.78 CCOCC(=O)NC[C@H](C)O WXVL_AK0113SB0091 [1,1,0,0,0,0|2,0,0]=4 712 B10R0.78 CCSCC(=O)NCC(C)C WXVL_AK00544SB0002 [1,1,0,0,0,0|2,0,0]=4 713 B10R0.78 CCSCC(=O)NCC(C)C WXVL_AK00544SB0002 [1,1,0,0,0,0|2,0,0]=4 714 B10R0.78 CCSCC(=O)NCC(C)O WXVL_AK0052SB0002 [1,1,0,0,0,0|2,0,0]=4 715 B10R0.78 CCSCC(=O)NCC(C)O WXVL_AK0052SB0002 [1,1,0,0,0,0|2,0,0]=4 716 B10R0.78 CCSCC(=O)NC[C@H](C)O WXVL_AK0113SB0002 [1,1,0,0,0,0|2,0,0]=4 717 B10R0.78 CCSCC(=O)NC[C@H](C)O WXVL_AK0113SB0002 [1,1,0,0,0,0|2,0,0]=4 718 B10R0.78 COCCC(=O)NCC(C)C WXVL_AK00544SB0156 [1,1,0,0,0,0|2,0,0]=4 719 B10R0.78 COCCC(=O)NCC(C)C WXVL_AK00544SB0156 [1,1,0,0,0,0|2,0,0]=4 720 B10R0.78 COCCC(=O)NCC(C)O WXVL_AK0052SB0156 [1,1,0,0,0,0|2,0,0]=4 721 B10R0.78 COCCC(=O)NCC(C)O WXVL_AK0052SB0156 [1,1,0,0,0,0|2,0,0]=4 722 B10R0.78 COCCC(=O)NC[C@H](C)O WXVL_AK0113SB0156 [1,1,0,0,0,0|2,0,0]=4 723 B10R0.78 COCCC(=O)NC[C@H](C)O WXVL_AK0113SB0156 [1,1,0,0,0,0|2,0,0]=4 724 B10R0.78 CSCCC(=O)NCC(C)C WXVL_AK00544SB0361 [1,1,0,0,0,0|2,0,0]=4 725 B10R0.78 CSCCC(=O)NCC(C)C WXVL_AK00544SB0361 [1,1,0,0,0,0|2,0,0]=4 726 B10R0.78 CSCCC(=O)NCC(C)O WXVL_AK0052SB0361 [1,1,0,0,0,0|2,0,0]=4 727 B10R0.78 CSCCC(=O)NCC(C)O WXVL_AK0052SB0361 [1,1,0,0,0,0|2,0,0]=4 728 B10R0.78 CSCCC(=O)NC[C@H](C)O WXVL_AK0113SB0361 [1,1,0,0,0,0|2,0,0]=4 729 B10R0.78 CSCCC(=O)NC[C@H](C)O WXVL_AK0113SB0361 [1,1,0,0,0,0|2,0,0]=4 730 B10R0.116 CCCCS(=O)(=O)NCCC WXVL_AK00504HU0031 [1,1,0,0,0,0|2,0,0]=4 731 B10R0.116 CCCCS(=O)(=O)NCCC WXVL_AK00504HU0031 [1,1,0,0,0,0|2,0,0]=4 732 B12R0.68 CCC[C@H](C)NC(=O)CC(C)CC WXVL_AK00682SB0353 [0,2,0,0,0,0|2,0,0]=4 733 B12R0.68 CCC[C@H](C)NC(=O)CC(C)CC WXVL_AK00682SB0353 [0,2,0,0,0,0|2,0,0]=4 734 B12R0.68 CCC[C@H](C)NC(=O)CC(O)CC WXVL_AK00682SB4092 [0,2,0,0,0,0|2,0,0]=4 735 B12R0.68 CCC[C@H](C)NC(=O)CC(O)CC WXVL_AK00682SB4092 [0,2,0,0,0,0|2,0,0]=4 736 B12R0.68 CCC[C@H](C)NC(=O)C[C@H](C)CC WXVL_AK00682SB8650 [0,2,0,0,0,0|2,0,0]=4 737 B12R0.68 CCC[C@H](C)NC(=O)C[C@H](C)CC WXVL_AK00682SB8650 [0,2,0,0,0,0|2,0,0]=4 738 B12R0.69 CCCC(C)C(=O)N[C@@H](C)CCC WXVL_AK00682SB0352 [0,2,0,0,0,0|2,0,0]=4 739 B12R0.69 CCCC(C)C(=O)N[C@@H](C)CCC WXVL_AK00682SB0352 [0,2,0,0,0,0|2,0,0]=4 740 B12R0.69 CCC[C@H](C)NC(=O)[C@@H](O)CCC WXVL_AK00682SB3627 [0,2,0,0,0,0|2,0,0]=4 741 B12R0.69 CCC[C@H](C)NC(=O)[C@@H](O)CCC WXVL_AK00682SB3627 [0,2,0,0,0,0|2,0,0]=4 742 B12R0.239 CC(CCO)NC(=O)CCCCBr WXVL_AK1288SB3153 [0,2,0,0,0,0|2,0,0]=4 743 B12R0.239 CC(CCO)NC(=O)CCCCBr WXVL_AK1288SB3153 [0,2,0,0,0,0|2,0,0]=4 744 B12R0.239 CC(CCO)NC(=O)CCCCCl WXVL_AK1288SB0379 [0,2,0,0,0,0|2,0,0]=4 745 B12R0.239 CC(CCO)NC(=O)CCCCCl WXVL_AK1288SB0379 [0,2,0,0,0,0|2,0,0]=4 746 B12R0.239 CCC[C@H](C)NC(=O)CCCCBr WXVL_AK00682SB3153 [0,2,0,0,0,0|2,0,0]=4 747 B12R0.239 CCC[C@H](C)NC(=O)CCCCBr WXVL_AK00682SB3153 [0,2,0,0,0,0|2,0,0]=4 748 B12R0.239 CCC[C@H](C)NC(=O)CCCCCl WXVL_AK00682SB0379 [0,2,0,0,0,0|2,0,0]=4 749 B12R0.239 CCC[C@H](C)NC(=O)CCCCCl WXVL_AK00682SB0379 [0,2,0,0,0,0|2,0,0]=4 750 B12R0.239 CCC[C@H](C)NC(=O)NCCCCl WXVL_AK00682YV0130 [0,2,0,0,0,0|2,0,0]=4 751 B12R0.239 CCC[C@H](C)NC(=O)NCCCCl WXVL_AK00682YV0130 [0,2,0,0,0,0|2,0,0]=4 752 B12R0.239 COC[C@@H](C)NC(=O)CCCCBr WXVL_AK00613SB3153 [0,2,0,0,0,0|2,0,0]=4 753 B12R0.239 COC[C@@H](C)NC(=O)CCCCBr WXVL_AK00613SB3153 [0,2,0,0,0,0|2,0,0]=4 754 B12R0.239 COC[C@@H](C)NC(=O)CCCCCl WXVL_AK00613SB0379 [0,2,0,0,0,0|2,0,0]=4 755 B12R0.239 COC[C@@H](C)NC(=O)CCCCCl WXVL_AK00613SB0379 [0,2,0,0,0,0|2,0,0]=4 756 B12R0.239 COC[C@H](C)NC(=O)CCCCBr WXVL_AK0137SB3153 [0,2,0,0,0,0|2,0,0]=4 757 B12R0.239 COC[C@H](C)NC(=O)CCCCBr WXVL_AK0137SB3153 [0,2,0,0,0,0|2,0,0]=4 758 B12R0.239 COC[C@H](C)NC(=O)CCCCCl WXVL_AK0137SB0379 [0,2,0,0,0,0|2,0,0]=4 759 B12R0.239 COC[C@H](C)NC(=O)CCCCCl WXVL_AK0137SB0379 [0,2,0,0,0,0|2,0,0]=4 760 B12R0.283 CCC[C@H](C)NC(=O)CCC(C)C WXVL_AK00682SB0354 [0,2,0,0,0,0|2,0,0]=4 761 B12R0.283 CCC[C@H](C)NC(=O)CCC(C)C WXVL_AK00682SB0354 [0,2,0,0,0,0|2,0,0]=4 762 B12R0.353 CCCCC(O)C(=O)N(C)CCO WXVL_AN2670SB3429 [0,2,0,0,0,0|2,0,0]=4 763 B12R0.353 CCCCC(O)C(=O)N(C)CCO WXVL_AN2670SB3429 [0,2,0,0,0,0|2,0,0]=4 764 B12R0.98 C=C(C)CNC(=O)C(O)CCCC WXVL_AK0761SB3429 [0,2,0,0,0,0|1,0,1]=4 765 B12R0.98 C=C(C)CNC(=O)C(O)CCCC WXVL_AK0761SB3429 [0,2,0,0,0,0|1,0,1]=4 766 B12R0.98 CCCCC(O)C(=O)NCC(C)C WXVL_AK00544SB3429 [0,2,0,0,0,0|1,0,0]=3 767 B12R0.98 CCCCC(O)C(=O)NCC(C)C WXVL_AK00544SB3429 [0,2,0,0,0,0|1,0,0]=3 768 B12R0.98 CCCCC(O)C(=O)NCC(C)O WXVL_AK0052SB3429 [0,2,0,0,0,0|1,0,0]=3 769 B12R0.98 CCCCC(O)C(=O)NCC(C)O WXVL_AK0052SB3429 [0,2,0,0,0,0|1,0,0]=3 770 B12R0.98 CCCCC(O)C(=O)NCC(F)F WXVL_AK0136SB3429 [0,2,0,0,0,0|2,0,0]=4 771 B12R0.98 CCCCC(O)C(=O)NCC(F)F WXVL_AK0136SB3429 [0,2,0,0,0,0|2,0,0]=4 772 B12R0.98 CCCCC(O)C(=O)NC[C@H](C)O WXVL_AK0113SB3429 [0,2,0,0,0,0|1,0,0]=3 773 B12R0.98 CCCCC(O)C(=O)NC[C@H](C)O WXVL_AK0113SB3429 [0,2,0,0,0,0|1,0,0]=3 774 B12R0.252 CCCCC(O)C(=O)N[C@@H](C)CC WXVL_AK00678SB3429 [0,2,0,0,0,0|1,0,0]=3 775 B12R0.252 CCCCC(O)C(=O)N[C@@H](C)CC WXVL_AK00678SB3429 [0,2,0,0,0,0|1,0,0]=3 776 B12R0.252 CCCCC(O)C(=O)N[C@@H](C)CF WXVL_AK00558SB3429 [0,2,0,0,0,0|2,0,0]=4 777 B12R0.252 CCCCC(O)C(=O)N[C@@H](C)CF WXVL_AK00558SB3429 [0,2,0,0,0,0|2,0,0]=4 778 B12R0.252 CCCCC(O)C(=O)N[C@@H](C)CO WXVL_AK0109SB3429 [0,2,0,0,0,0|2,0,0]=4 779 B12R0.252 CCCCC(O)C(=O)N[C@@H](C)CO WXVL_AK0109SB3429 [0,2,0,0,0,0|2,0,0]=4 780 B12R0.648 C#CCCNC(=O)C(O)CCCC WXVL_AK3109SB3429 [0,2,0,0,0,0|1,0,1]=4 781 B12R0.648 C#CCCNC(=O)C(O)CCCC WXVL_AK3109SB3429 [0,2,0,0,0,0|1,0,1]=4 782 B12R0.648 C=CCCNC(=O)C(O)CCCC WXVL_AK00138SB3429 [0,2,0,0,0,0|1,0,1]=4 783 B12R0.648 C=CCCNC(=O)C(O)CCCC WXVL_AK00138SB3429 [0,2,0,0,0,0|1,0,1]=4 784 B12R0.648 CCCCC(O)C(=O)NCCC#N WXVL_AK0087SB3429 [0,2,0,0,0,0|1,0,1]=4 785 B12R0.648 CCCCC(O)C(=O)NCCC#N WXVL_AK0087SB3429 [0,2,0,0,0,0|1,0,1]=4 786 B12R0.648 CCCCC(O)C(=O)NCCCO WXVL_AK0073SB3429 [0,2,0,0,0,0|1,0,0]=3 787 B12R0.648 CCCCC(O)C(=O)NCCCO WXVL_AK0073SB3429 [0,2,0,0,0,0|1,0,0]=3 788 B12R0.648 CCCCC(O)C(=O)NCCSC WXVL_AK00440SB3429 [0,2,0,0,0,0|1,0,0]=3 789 B12R0.648 CCCCC(O)C(=O)NCCSC WXVL_AK00440SB3429 [0,2,0,0,0,0|1,0,0]=3 790 B12R0.648 CCCCCC(C)C(=O)NCCC WXVL_AK00504SB0394 [0,2,0,0,0,0|1,0,0]=3 791 B12R0.648 CCCCCC(C)C(=O)NCCC WXVL_AK00504SB0394 [0,2,0,0,0,0|1,0,0]=3 792 B12R0.648 CCCCCC(C)C(=O)NCCF WXVL_AK00466SB0394 [0,2,0,0,0,0|2,0,0]=4 793 B12R0.648 CCCCCC(C)C(=O)NCCF WXVL_AK00466SB0394 [0,2,0,0,0,0|2,0,0]=4 794 B12R0.648 CCCCNC(=O)C(O)CCCC WXVL_AK00588SB3429 [0,2,0,0,0,0|1,0,0]=3 795 B12R0.648 CCCCNC(=O)C(O)CCCC WXVL_AK00588SB3429 [0,2,0,0,0,0|1,0,0]=3 796 B12R0.648 COCCN(C)C(=O)CCCCBr WXVL_AN0085SB3153 [0,2,0,0,0,0|2,0,0]=4 797 B12R0.648 COCCN(C)C(=O)CCCCBr WXVL_AN0085SB3153 [0,2,0,0,0,0|2,0,0]=4 798 B12R0.648 COCCN(C)C(=O)CCCCCl WXVL_AN0085SB0379 [0,2,0,0,0,0|2,0,0]=4 799 B12R0.648 COCCN(C)C(=O)CCCCCl WXVL_AN0085SB0379 [0,2,0,0,0,0|2,0,0]=4 800 B12R0.44 C=C(C)CNC(=O)CCCC(C)C WXVL_AK0761SB1301 [0,2,0,0,0,0|1,0,1]=4 801 B12R0.44 C=C(C)CNC(=O)CCCC(C)C WXVL_AK0761SB1301 [0,2,0,0,0,0|1,0,1]=4 802 B12R0.44 CC(C)CCCC(=O)NCC(C)C WXVL_AK00544SB1301 [0,2,0,0,0,0|1,0,0]=3 803 B12R0.44 CC(C)CCCC(=O)NCC(C)C WXVL_AK00544SB1301 [0,2,0,0,0,0|1,0,0]=3 804 B12R0.44 CC(C)CCCC(=O)NCC(C)O WXVL_AK0052SB1301 [0,2,0,0,0,0|1,0,0]=3 805 B12R0.44 CC(C)CCCC(=O)NCC(C)O WXVL_AK0052SB1301 [0,2,0,0,0,0|1,0,0]=3 806 B12R0.44 CC(C)CCCC(=O)NCC(F)F WXVL_AK0136SB1301 [0,2,0,0,0,0|2,0,0]=4 807 B12R0.44 CC(C)CCCC(=O)NCC(F)F WXVL_AK0136SB1301 [0,2,0,0,0,0|2,0,0]=4 808 B12R0.44 CC(C)CCCC(=O)NC[C@H](C)O WXVL_AK0113SB1301 [0,2,0,0,0,0|1,0,0]=3 809 B12R0.44 CC(C)CCCC(=O)NC[C@H](C)O WXVL_AK0113SB1301 [0,2,0,0,0,0|1,0,0]=3 810 B12R0.44 CC(C)CCNC(=O)CCC(C)C WXVL_AK0068SB0354 [0,2,0,0,0,0|2,0,0]=4 811 B12R0.44 CC(C)CCNC(=O)CCC(C)C WXVL_AK0068SB0354 [0,2,0,0,0,0|2,0,0]=4 812 B12R0.44 CC(C)CNC(=O)CCCN(C)C WXVL_AK00544SB00055 [0,2,0,0,0,0|2,0,0]=4 813 B12R0.44 CC(C)CNC(=O)CCCN(C)C WXVL_AK00544SB00055 [0,2,0,0,0,0|2,0,0]=4 814 B12R0.44 CC(O)CNC(=O)CCCN(C)C WXVL_AK0052SB00055 [0,2,0,0,0,0|2,0,0]=4 815 B12R0.44 CC(O)CNC(=O)CCCN(C)C WXVL_AK0052SB00055 [0,2,0,0,0,0|2,0,0]=4 816 B12R0.44 C[C@H](O)CNC(=O)CCCN(C)C WXVL_AK0113SB00055 [0,2,0,0,0,0|2,0,0]=4 817 B12R0.44 C[C@H](O)CNC(=O)CCCN(C)C WXVL_AK0113SB00055 [0,2,0,0,0,0|2,0,0]=4 818 B12R0.141 CCCCNC(=O)C(O)CC(C)C WXVL_AK00588SB4281 [0,2,0,0,0,0|2,0,0]=4 819 B12R0.141 CCCCNC(=O)C(O)CC(C)C WXVL_AK00588SB4281 [0,2,0,0,0,0|2,0,0]=4 820 B12R0.142 CO[C@H](C)CNC(=O)CCCCBr WXVL_AK00704SB3153 [0,2,0,0,0,0|2,0,0]=4 821 B12R0.142 CO[C@H](C)CNC(=O)CCCCBr WXVL_AK00704SB3153 [0,2,0,0,0,0|2,0,0]=4 822 B12R0.142 CO[C@H](C)CNC(=O)CCCCCl WXVL_AK00704SB0379 [0,2,0,0,0,0|2,0,0]=4 823 B12R0.142 CO[C@H](C)CNC(=O)CCCCCl WXVL_AK00704SB0379 [0,2,0,0,0,0|2,0,0]=4 824 B12R0.142 O=C(CCCCBr)NC[C@@H](F)CO WXVL_AK00590SB3153 [0,2,0,0,0,0|2,0,0]=4 825 B12R0.142 O=C(CCCCBr)NC[C@@H](F)CO WXVL_AK00590SB3153 [0,2,0,0,0,0|2,0,0]=4 826 B12R0.142 O=C(CCCCBr)NC[C@H](O)CO WXVL_AK00483SB3153 [0,2,0,0,0,0|2,0,0]=4 827 B12R0.142 O=C(CCCCBr)NC[C@H](O)CO WXVL_AK00483SB3153 [0,2,0,0,0,0|2,0,0]=4 828 B12R0.142 O=C(CCCCCl)NC[C@@H](F)CO WXVL_AK00590SB0379 [0,2,0,0,0,0|2,0,0]=4 829 B12R0.142 O=C(CCCCCl)NC[C@@H](F)CO WXVL_AK00590SB0379 [0,2,0,0,0,0|2,0,0]=4 830 B12R0.142 O=C(CCCCCl)NC[C@H](O)CO WXVL_AK00483SB0379 [0,2,0,0,0,0|2,0,0]=4 831 B12R0.142 O=C(CCCCCl)NC[C@H](O)CO WXVL_AK00483SB0379 [0,2,0,0,0,0|2,0,0]=4 832 B12R0.255 C=C(C)CNC(=O)CCCCCBr WXVL_AK0761SB2192 [0,2,0,0,0,0|1,0,1]=4 833 B12R0.255 C=C(C)CNC(=O)CCCCCBr WXVL_AK0761SB2192 [0,2,0,0,0,0|1,0,1]=4 834 B12R0.255 C=C(C)CNC(=O)CCCCCO WXVL_AK0761SB2973 [0,2,0,0,0,0|1,0,1]=4 835 B12R0.255 C=C(C)CNC(=O)CCCCCO WXVL_AK0761SB2973 [0,2,0,0,0,0|1,0,1]=4 836 B12R0.255 CC(C)CCC(=O)NCCCCO WXVL_AK0075SB0354 [0,2,0,0,0,0|2,0,0]=4 837 B12R0.255 CC(C)CCC(=O)NCCCCO WXVL_AK0075SB0354 [0,2,0,0,0,0|2,0,0]=4 838 B12R0.255 CC(C)CNC(=O)CCCCCBr WXVL_AK00544SB2192 [0,2,0,0,0,0|1,0,0]=3 839 B12R0.255 CC(C)CNC(=O)CCCCCBr WXVL_AK00544SB2192 [0,2,0,0,0,0|1,0,0]=3 840 B12R0.255 CC(C)CNC(=O)CCCCCO WXVL_AK00544SB2973 [0,2,0,0,0,0|1,0,0]=3 841 B12R0.255 CC(C)CNC(=O)CCCCCO WXVL_AK00544SB2973 [0,2,0,0,0,0|1,0,0]=3 842 B12R0.255 CC(O)CNC(=O)CCCCCBr WXVL_AK0052SB2192 [0,2,0,0,0,0|1,0,0]=3 843 B12R0.255 CC(O)CNC(=O)CCCCCBr WXVL_AK0052SB2192 [0,2,0,0,0,0|1,0,0]=3 844 B12R0.255 CC(O)CNC(=O)CCCCCO WXVL_AK0052SB2973 [0,2,0,0,0,0|1,0,0]=3 845 B12R0.255 CC(O)CNC(=O)CCCCCO WXVL_AK0052SB2973 [0,2,0,0,0,0|1,0,0]=3 846 B12R0.255 CCCCCNC(=O)/C=C/C(C)C WXVL_AK0076SB0036 [0,2,0,0,0,0|1,0,1]=4 847 B12R0.255 CCCCCNC(=O)/C=C/C(C)C WXVL_AK0076SB0036 [0,2,0,0,0,0|1,0,1]=4 848 B12R0.255 CCCCCNC(=O)CCC(=O)C WXVL_AK0076SB0072 [0,2,0,0,0,0|1,0,1]=4 849 B12R0.255 CCCCCNC(=O)CCC(=O)C WXVL_AK0076SB0072 [0,2,0,0,0,0|1,0,1]=4 850 B12R0.255 CCCCCNC(=O)CCC(C)C WXVL_AK0076SB0354 [0,2,0,0,0,0|1,0,0]=3 851 B12R0.255 CCCCCNC(=O)CCC(C)C WXVL_AK0076SB0354 [0,2,0,0,0,0|1,0,0]=3 852 B12R0.255 CCCCCNC(=O)CCN(C)C WXVL_AK0076SB00052 [0,2,0,0,0,0|2,0,0]=4 853 B12R0.255 CCCCCNC(=O)CCN(C)C WXVL_AK0076SB00052 [0,2,0,0,0,0|2,0,0]=4 854 B12R0.255 CCCCCNC(=O)COC(C)C WXVL_AK0076SB0213 [0,2,0,0,0,0|2,0,0]=4 855 B12R0.255 CCCCCNC(=O)COC(C)C WXVL_AK0076SB0213 [0,2,0,0,0,0|2,0,0]=4 856 B12R0.255 CCSCCNC(=O)CCC(C)C WXVL_AK00494SB0354 [0,2,0,0,0,0|2,0,0]=4 857 B12R0.255 CCSCCNC(=O)CCC(C)C WXVL_AK00494SB0354 [0,2,0,0,0,0|2,0,0]=4 858 B12R0.255 COCCCNC(=O)CCC(C)C WXVL_AK00637SB0354 [0,2,0,0,0,0|2,0,0]=4 859 B12R0.255 COCCCNC(=O)CCC(C)C WXVL_AK00637SB0354 [0,2,0,0,0,0|2,0,0]=4 860 B12R0.255 COCCOCC(=O)NCC(C)C WXVL_AK00544SB0159 [0,2,0,0,0,0|2,0,0]=4 861 B12R0.255 COCCOCC(=O)NCC(C)C WXVL_AK00544SB0159 [0,2,0,0,0,0|2,0,0]=4 862 B12R0.255 COCCOCC(=O)NCC(C)O WXVL_AK0052SB0159 [0,2,0,0,0,0|2,0,0]=4 863 B12R0.255 COCCOCC(=O)NCC(C)O WXVL_AK0052SB0159 [0,2,0,0,0,0|2,0,0]=4 864 B12R0.255 COCCOCC(=O)NC[C@H](C)O WXVL_AK0113SB0159 [0,2,0,0,0,0|2,0,0]=4 865 B12R0.255 COCCOCC(=O)NC[C@H](C)O WXVL_AK0113SB0159 [0,2,0,0,0,0|2,0,0]=4 866 B12R0.255 CSCCCNC(=O)CCC(C)C WXVL_AK0965SB0354 [0,2,0,0,0,0|2,0,0]=4 867 B12R0.255 CSCCCNC(=O)CCC(C)C WXVL_AK0965SB0354 [0,2,0,0,0,0|2,0,0]=4 868 B12R0.255 C[C@H](O)CNC(=O)CCCCCBr WXVL_AK0113SB2192 [0,2,0,0,0,0|1,0,0]=3 869 B12R0.255 C[C@H](O)CNC(=O)CCCCCBr WXVL_AK0113SB2192 [0,2,0,0,0,0|1,0,0]=3 870 B12R0.255 C[C@H](O)CNC(=O)CCCCCO WXVL_AK0113SB2973 [0,2,0,0,0,0|1,0,0]=3 871 B12R0.255 C[C@H](O)CNC(=O)CCCCCO WXVL_AK0113SB2973 [0,2,0,0,0,0|1,0,0]=3 872 B12R0.255 O=C(CCCCCBr)NCC(F)F WXVL_AK0136SB2192 [0,2,0,0,0,0|2,0,0]=4 873 B12R0.255 O=C(CCCCCBr)NCC(F)F WXVL_AK0136SB2192 [0,2,0,0,0,0|2,0,0]=4 874 B12R0.255 O=C(CCCCCO)NCC(F)F WXVL_AK0136SB2973 [0,2,0,0,0,0|2,0,0]=4 875 B12R0.255 O=C(CCCCCO)NCC(F)F WXVL_AK0136SB2973 [0,2,0,0,0,0|2,0,0]=4 876 B12R0.649 CC(C)(C)CNC(=O)CCCCBr WXVL_AK00655SB3153 [0,2,0,0,0,0|2,0,0]=4 877 B12R0.649 CC(C)(C)CNC(=O)CCCCBr WXVL_AK00655SB3153 [0,2,0,0,0,0|2,0,0]=4 878 B12R0.649 CC(C)(C)CNC(=O)CCCCCl WXVL_AK00655SB0379 [0,2,0,0,0,0|2,0,0]=4 879 B12R0.649 CC(C)(C)CNC(=O)CCCCCl WXVL_AK00655SB0379 [0,2,0,0,0,0|2,0,0]=4 880 B12R0.649 CC(C)(F)CNC(=O)CCCCBr WXVL_AK00660SB3153 [0,2,0,0,0,0|2,0,0]=4 881 B12R0.649 CC(C)(F)CNC(=O)CCCCBr WXVL_AK00660SB3153 [0,2,0,0,0,0|2,0,0]=4 882 B12R0.649 CC(C)(F)CNC(=O)CCCCCl WXVL_AK00660SB0379 [0,2,0,0,0,0|2,0,0]=4 883 B12R0.649 CC(C)(F)CNC(=O)CCCCCl WXVL_AK00660SB0379 [0,2,0,0,0,0|2,0,0]=4 884 B12R0.649 CC(C)(O)CNC(=O)CCCCBr WXVL_AK0490SB3153 [0,2,0,0,0,0|2,0,0]=4 885 B12R0.649 CC(C)(O)CNC(=O)CCCCBr WXVL_AK0490SB3153 [0,2,0,0,0,0|2,0,0]=4 886 B12R0.649 CC(C)(O)CNC(=O)CCCCCl WXVL_AK0490SB0379 [0,2,0,0,0,0|2,0,0]=4 887 B12R0.649 CC(C)(O)CNC(=O)CCCCCl WXVL_AK0490SB0379 [0,2,0,0,0,0|2,0,0]=4 888 B12R0.649 CC(F)(F)CNC(=O)CCCCBr WXVL_AK0308SB3153 [0,2,0,0,0,0|2,0,0]=4 889 B12R0.649 CC(F)(F)CNC(=O)CCCCBr WXVL_AK0308SB3153 [0,2,0,0,0,0|2,0,0]=4 890 B12R0.649 CC(F)(F)CNC(=O)CCCCCl WXVL_AK0308SB0379 [0,2,0,0,0,0|2,0,0]=4 891 B12R0.649 CC(F)(F)CNC(=O)CCCCCl WXVL_AK0308SB0379 [0,2,0,0,0,0|2,0,0]=4 892 B12R0.47 C#CCCCC(=O)NCCCCC WXVL_AK0076SB2709 [0,2,0,0,0,0|1,0,1]=4 893 B12R0.47 C#CCCCC(=O)NCCCCC WXVL_AK0076SB2709 [0,2,0,0,0,0|1,0,1]=4 894 B12R0.47 C#CCCCNC(=O)CCCCBr WXVL_AK00218SB3153 [0,2,0,0,0,0|2,0,0]=4 895 B12R0.47 C#CCCCNC(=O)CCCCBr WXVL_AK00218SB3153 [0,2,0,0,0,0|2,0,0]=4 896 B12R0.47 C#CCCCNC(=O)CCCCCl WXVL_AK00218SB0379 [0,2,0,0,0,0|2,0,0]=4 897 B12R0.47 C#CCCCNC(=O)CCCCCl WXVL_AK00218SB0379 [0,2,0,0,0,0|2,0,0]=4 898 B12R0.47 C#CCCNC(=O)CCCCCBr WXVL_AK3109SB2192 [0,2,0,0,0,0|1,0,1]=4 899 B12R0.47 C#CCCNC(=O)CCCCCBr WXVL_AK3109SB2192 [0,2,0,0,0,0|1,0,1]=4 900 B12R0.47 C#CCCNC(=O)CCCCCO WXVL_AK3109SB2973 [0,2,0,0,0,0|1,0,1]=4 901 B12R0.47 C#CCCNC(=O)CCCCCO WXVL_AK3109SB2973 [0,2,0,0,0,0|1,0,1]=4 902 B12R0.47 C=CCCCC(=O)NCCCCC WXVL_AK0076SB2920 [0,2,0,0,0,0|1,0,1]=4 903 B12R0.47 C=CCCCC(=O)NCCCCC WXVL_AK0076SB2920 [0,2,0,0,0,0|1,0,1]=4 904 B12R0.47 C=CCCNC(=O)CCCCCBr WXVL_AK00138SB2192 [0,2,0,0,0,0|1,0,1]=4 905 B12R0.47 C=CCCNC(=O)CCCCCBr WXVL_AK00138SB2192 [0,2,0,0,0,0|1,0,1]=4 906 B12R0.47 C=CCCNC(=O)CCCCCO WXVL_AK00138SB2973 [0,2,0,0,0,0|1,0,1]=4 907 B12R0.47 C=CCCNC(=O)CCCCCO WXVL_AK00138SB2973 [0,2,0,0,0,0|1,0,1]=4 908 B12R0.47 CC/C=C/CC(=O)NCCCCC WXVL_AK0076SB0349 [0,2,0,0,0,0|1,0,1]=4 909 B12R0.47 CC/C=C/CC(=O)NCCCCC WXVL_AK0076SB0349 [0,2,0,0,0,0|1,0,1]=4 910 B12R0.47 CCCCCNC(=O)/C=C/OCC WXVL_AK0076SB3226 [0,2,0,0,0,0|1,0,1]=4 911 B12R0.47 CCCCCNC(=O)/C=C/OCC WXVL_AK0076SB3226 [0,2,0,0,0,0|1,0,1]=4 912 B12R0.47 CCCCCNC(=O)CCCCBr WXVL_AK0076SB3153 [0,2,0,0,0,0|1,0,0]=3 913 B12R0.47 CCCCCNC(=O)CCCCBr WXVL_AK0076SB3153 [0,2,0,0,0,0|1,0,0]=3 914 B12R0.47 CCCCCNC(=O)CCCCCl WXVL_AK0076SB0379 [0,2,0,0,0,0|1,0,0]=3 915 B12R0.47 CCCCCNC(=O)CCCCCl WXVL_AK0076SB0379 [0,2,0,0,0,0|1,0,0]=3 916 B12R0.47 CCCCCNC(=O)NCCCCl WXVL_AK0076YV0130 [0,2,0,0,0,0|1,0,0]=3 917 B12R0.47 CCCCCNC(=O)NCCCCl WXVL_AK0076YV0130 [0,2,0,0,0,0|1,0,0]=3 918 B12R0.47 CCCCNC(=O)CCCCCBr WXVL_AK00588SB2192 [0,2,0,0,0,0|1,0,0]=3 919 B12R0.47 CCCCNC(=O)CCCCCBr WXVL_AK00588SB2192 [0,2,0,0,0,0|1,0,0]=3 920 B12R0.47 CCCCNC(=O)CCCCCO WXVL_AK00588SB2973 [0,2,0,0,0,0|1,0,0]=3 921 B12R0.47 CCCCNC(=O)CCCCCO WXVL_AK00588SB2973 [0,2,0,0,0,0|1,0,0]=3 922 B12R0.47 CCCCNC(=O)COCCOC WXVL_AK00588SB0159 [0,2,0,0,0,0|1,0,0]=3 923 B12R0.47 CCCCNC(=O)COCCOC WXVL_AK00588SB0159 [0,2,0,0,0,0|1,0,0]=3 924 B12R0.47 CCSCCNC(=O)CCCCBr WXVL_AK00494SB3153 [0,2,0,0,0,0|2,0,0]=4 925 B12R0.47 CCSCCNC(=O)CCCCBr WXVL_AK00494SB3153 [0,2,0,0,0,0|2,0,0]=4 926 B12R0.47 CCSCCNC(=O)CCCCCl WXVL_AK00494SB0379 [0,2,0,0,0,0|2,0,0]=4 927 B12R0.47 CCSCCNC(=O)CCCCCl WXVL_AK00494SB0379 [0,2,0,0,0,0|2,0,0]=4 928 B12R0.47 CCSCCNC(=O)NCCCCl WXVL_AK00494YV0130 [0,2,0,0,0,0|2,0,0]=4 929 B12R0.47 CCSCCNC(=O)NCCCCl WXVL_AK00494YV0130 [0,2,0,0,0,0|2,0,0]=4 930 B12R0.47 COCCCNC(=O)CCCCBr WXVL_AK00637SB3153 [0,2,0,0,0,0|2,0,0]=4 931 B12R0.47 COCCCNC(=O)CCCCBr WXVL_AK00637SB3153 [0,2,0,0,0,0|2,0,0]=4 932 B12R0.47 COCCCNC(=O)CCCCCl WXVL_AK00637SB0379 [0,2,0,0,0,0|2,0,0]=4 933 B12R0.47 COCCCNC(=O)CCCCCl WXVL_AK00637SB0379 [0,2,0,0,0,0|2,0,0]=4 934 B12R0.47 COCCCNC(=O)NCCCCl WXVL_AK00637YV0130 [0,2,0,0,0,0|2,0,0]=4 935 B12R0.47 COCCCNC(=O)NCCCCl WXVL_AK00637YV0130 [0,2,0,0,0,0|2,0,0]=4 936 B12R0.47 COCCOCC(=O)NCCCO WXVL_AK0073SB0159 [0,2,0,0,0,0|2,0,0]=4 937 B12R0.47 COCCOCC(=O)NCCCO WXVL_AK0073SB0159 [0,2,0,0,0,0|2,0,0]=4 938 B12R0.47 COCCOCC(=O)NCCSC WXVL_AK00440SB0159 [0,2,0,0,0,0|2,0,0]=4 939 B12R0.47 COCCOCC(=O)NCCSC WXVL_AK00440SB0159 [0,2,0,0,0,0|2,0,0]=4 940 B12R0.47 CSCCCNC(=O)CCCCBr WXVL_AK0965SB3153 [0,2,0,0,0,0|2,0,0]=4 941 B12R0.47 CSCCCNC(=O)CCCCBr WXVL_AK0965SB3153 [0,2,0,0,0,0|2,0,0]=4 942 B12R0.47 CSCCCNC(=O)CCCCCl WXVL_AK0965SB0379 [0,2,0,0,0,0|2,0,0]=4 943 B12R0.47 CSCCCNC(=O)CCCCCl WXVL_AK0965SB0379 [0,2,0,0,0,0|2,0,0]=4 944 B12R0.47 CSCCCNC(=O)NCCCCl WXVL_AK0965YV0130 [0,2,0,0,0,0|2,0,0]=4 945 B12R0.47 CSCCCNC(=O)NCCCCl WXVL_AK0965YV0130 [0,2,0,0,0,0|2,0,0]=4 946 B12R0.47 CSCCNC(=O)CCCCCBr WXVL_AK00440SB2192 [0,2,0,0,0,0|1,0,0]=3 947 B12R0.47 CSCCNC(=O)CCCCCBr WXVL_AK00440SB2192 [0,2,0,0,0,0|1,0,0]=3 948 B12R0.47 CSCCNC(=O)CCCCCO WXVL_AK00440SB2973 [0,2,0,0,0,0|1,0,0]=3 949 B12R0.47 CSCCNC(=O)CCCCCO WXVL_AK00440SB2973 [0,2,0,0,0,0|1,0,0]=3 950 B12R0.47 N#CCCNC(=O)CCCCCBr WXVL_AK0087SB2192 [0,2,0,0,0,0|1,0,1]=4 951 B12R0.47 N#CCCNC(=O)CCCCCBr WXVL_AK0087SB2192 [0,2,0,0,0,0|1,0,1]=4 952 B12R0.47 N#CCCNC(=O)CCCCCO WXVL_AK0087SB2973 [0,2,0,0,0,0|1,0,1]=4 953 B12R0.47 N#CCCNC(=O)CCCCCO WXVL_AK0087SB2973 [0,2,0,0,0,0|1,0,1]=4 954 B12R0.47 O=C(CCCCBr)NCCCCO WXVL_AK0075SB3153 [0,2,0,0,0,0|2,0,0]=4 955 B12R0.47 O=C(CCCCBr)NCCCCO WXVL_AK0075SB3153 [0,2,0,0,0,0|2,0,0]=4 956 B12R0.47 O=C(CCCCCBr)NCCCO WXVL_AK0073SB2192 [0,2,0,0,0,0|1,0,0]=3 957 B12R0.47 O=C(CCCCCBr)NCCCO WXVL_AK0073SB2192 [0,2,0,0,0,0|1,0,0]=3 958 B12R0.47 O=C(CCCCCO)NCCCO WXVL_AK0073SB2973 [0,2,0,0,0,0|1,0,0]=3 959 B12R0.47 O=C(CCCCCO)NCCCO WXVL_AK0073SB2973 [0,2,0,0,0,0|1,0,0]=3 960 B12R0.47 O=C(CCCCCl)NCCCCO WXVL_AK0075SB0379 [0,2,0,0,0,0|2,0,0]=4 961 B12R0.47 O=C(CCCCCl)NCCCCO WXVL_AK0075SB0379 [0,2,0,0,0,0|2,0,0]=4 962 B12R0.47 O=C(NCCCCl)NCCCCO WXVL_AK0075YV0130 [0,2,0,0,0,0|2,0,0]=4 963 B12R0.47 O=C(NCCCCl)NCCCCO WXVL_AK0075YV0130 [0,2,0,0,0,0|2,0,0]=4 964 B12R0.113 CCC(C)CC(=O)NCCCCO WXVL_AK0075SB0353 [0,2,0,0,0,0|2,0,0]=4 965 B12R0.113 CCC(C)CC(=O)NCCCCO WXVL_AK0075SB0353 [0,2,0,0,0,0|2,0,0]=4 966 B12R0.113 CCC(C)CC(=O)NCCCOC WXVL_AK00637SB0353 [0,2,0,0,0,0|2,0,0]=4 967 B12R0.113 CCC(C)CC(=O)NCCCOC WXVL_AK00637SB0353 [0,2,0,0,0,0|2,0,0]=4 968 B12R0.113 CCC(C)CC(=O)NCCCSC WXVL_AK0965SB0353 [0,2,0,0,0,0|2,0,0]=4 969 B12R0.113 CCC(C)CC(=O)NCCCSC WXVL_AK0965SB0353 [0,2,0,0,0,0|2,0,0]=4 970 B12R0.113 CCC(O)CC(=O)NCCCCO WXVL_AK0075SB4092 [0,2,0,0,0,0|2,0,0]=4 971 B12R0.113 CCC(O)CC(=O)NCCCCO WXVL_AK0075SB4092 [0,2,0,0,0,0|2,0,0]=4 972 B12R0.113 CCC(O)CC(=O)NCCCOC WXVL_AK00637SB4092 [0,2,0,0,0,0|2,0,0]=4 973 B12R0.113 CCC(O)CC(=O)NCCCOC WXVL_AK00637SB4092 [0,2,0,0,0,0|2,0,0]=4 974 B12R0.113 CCC(O)CC(=O)NCCCSC WXVL_AK0965SB4092 [0,2,0,0,0,0|2,0,0]=4 975 B12R0.113 CCC(O)CC(=O)NCCCSC WXVL_AK0965SB4092 [0,2,0,0,0,0|2,0,0]=4 976 B12R0.113 CCCCCNC(=O)CC(C)CC WXVL_AK0076SB0353 [0,2,0,0,0,0|1,0,0]=3 977 B12R0.113 CCCCCNC(=O)CC(C)CC WXVL_AK0076SB0353 [0,2,0,0,0,0|1,0,0]=3 978 B12R0.113 CCCCCNC(=O)CC(O)CC WXVL_AK0076SB4092 [0,2,0,0,0,0|1,0,0]=3 979 B12R0.113 CCCCCNC(=O)CC(O)CC WXVL_AK0076SB4092 [0,2,0,0,0,0|1,0,0]=3 980 B12R0.113 CCCCCNC(=O)C[C@H](C)CC WXVL_AK0076SB8650 [0,2,0,0,0,0|1,0,0]=3 981 B12R0.113 CCCCCNC(=O)C[C@H](C)CC WXVL_AK0076SB8650 [0,2,0,0,0,0|1,0,0]=3 982 B12R0.113 CCSCCNC(=O)CC(C)CC WXVL_AK00494SB0353 [0,2,0,0,0,0|2,0,0]=4 983 B12R0.113 CCSCCNC(=O)CC(C)CC WXVL_AK00494SB0353 [0,2,0,0,0,0|2,0,0]=4 984 B12R0.113 CCSCCNC(=O)CC(O)CC WXVL_AK00494SB4092 [0,2,0,0,0,0|2,0,0]=4 985 B12R0.113 CCSCCNC(=O)CC(O)CC WXVL_AK00494SB4092 [0,2,0,0,0,0|2,0,0]=4 986 B12R0.113 CCSCCNC(=O)C[C@H](C)CC WXVL_AK00494SB8650 [0,2,0,0,0,0|2,0,0]=4 987 B12R0.113 CCSCCNC(=O)C[C@H](C)CC WXVL_AK00494SB8650 [0,2,0,0,0,0|2,0,0]=4 988 B12R0.113 CC[C@@H](C)CC(=O)NCCCCO WXVL_AK0075SB8650 [0,2,0,0,0,0|2,0,0]=4 989 B12R0.113 CC[C@@H](C)CC(=O)NCCCCO WXVL_AK0075SB8650 [0,2,0,0,0,0|2,0,0]=4 990 B12R0.113 CC[C@@H](C)CC(=O)NCCCOC WXVL_AK00637SB8650 [0,2,0,0,0,0|2,0,0]=4 991 B12R0.113 CC[C@@H](C)CC(=O)NCCCOC WXVL_AK00637SB8650 [0,2,0,0,0,0|2,0,0]=4 992 B12R0.113 CC[C@@H](C)CC(=O)NCCCSC WXVL_AK0965SB8650 [0,2,0,0,0,0|2,0,0]=4 993 B12R0.113 CC[C@@H](C)CC(=O)NCCCSC WXVL_AK0965SB8650 [0,2,0,0,0,0|2,0,0]=4 994 B12R0.113 CC[C@H](C)NC(=O)CCCCCBr WXVL_AK00678SB2192 [0,2,0,0,0,0|1,0,0]=3 995 B12R0.113 CC[C@H](C)NC(=O)CCCCCBr WXVL_AK00678SB2192 [0,2,0,0,0,0|1,0,0]=3 996 B12R0.113 CC[C@H](C)NC(=O)CCCCCO WXVL_AK00678SB2973 [0,2,0,0,0,0|1,0,0]=3 997 B12R0.113 CC[C@H](C)NC(=O)CCCCCO WXVL_AK00678SB2973 [0,2,0,0,0,0|1,0,0]=3 998 B12R0.113 CC[C@H](C)NC(=O)COCCOC WXVL_AK00678SB0159 [0,2,0,0,0,0|2,0,0]=4 999 B12R0.113 CC[C@H](C)NC(=O)COCCOC WXVL_AK00678SB0159 [0,2,0,0,0,0|2,0,0]=4 1000 B12R0.113 C[C@@H](CF)NC(=O)CCCCCBr WXVL_AK00558SB2192 [0,2,0,0,0,0|2,0,0]=4 1001 B12R0.113 C[C@@H](CF)NC(=O)CCCCCBr WXVL_AK00558SB2192 [0,2,0,0,0,0|2,0,0]=4 1002 B12R0.113 C[C@@H](CF)NC(=O)CCCCCO WXVL_AK00558SB2973 [0,2,0,0,0,0|2,0,0]=4 1003 B12R0.113 C[C@@H](CF)NC(=O)CCCCCO WXVL_AK00558SB2973 [0,2,0,0,0,0|2,0,0]=4 1004 B12R0.113 C[C@@H](CO)NC(=O)CCCCCBr WXVL_AK0109SB2192 [0,2,0,0,0,0|2,0,0]=4 1005 B12R0.113 C[C@@H](CO)NC(=O)CCCCCBr WXVL_AK0109SB2192 [0,2,0,0,0,0|2,0,0]=4 1006 B12R0.113 C[C@@H](CO)NC(=O)CCCCCO WXVL_AK0109SB2973 [0,2,0,0,0,0|2,0,0]=4 1007 B12R0.113 C[C@@H](CO)NC(=O)CCCCCO WXVL_AK0109SB2973 [0,2,0,0,0,0|2,0,0]=4 1008 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC WXVL_AK0076SB0037 [0,2,0,0,0,0|1,0,1]=4 1009 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC WXVL_AK0076SB0037 [0,2,0,0,0,0|1,0,1]=4 1010 B12R0.114 CCCC(C)C(=O)NCCCCO WXVL_AK0075SB0352 [0,2,0,0,0,0|2,0,0]=4 1011 B12R0.114 CCCC(C)C(=O)NCCCCO WXVL_AK0075SB0352 [0,2,0,0,0,0|2,0,0]=4 1012 B12R0.114 CCCC(C)C(=O)NCCCOC WXVL_AK00637SB0352 [0,2,0,0,0,0|2,0,0]=4 1013 B12R0.114 CCCC(C)C(=O)NCCCOC WXVL_AK00637SB0352 [0,2,0,0,0,0|2,0,0]=4 1014 B12R0.114 CCCC(C)C(=O)NCCCSC WXVL_AK0965SB0352 [0,2,0,0,0,0|2,0,0]=4 1015 B12R0.114 CCCC(C)C(=O)NCCCSC WXVL_AK0965SB0352 [0,2,0,0,0,0|2,0,0]=4 1016 B12R0.114 CCCC(C)C(=O)NCCSCC WXVL_AK00494SB0352 [0,2,0,0,0,0|2,0,0]=4 1017 B12R0.114 CCCC(C)C(=O)NCCSCC WXVL_AK00494SB0352 [0,2,0,0,0,0|2,0,0]=4 1018 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [0,2,0,0,0,0|2,0,0]=4 1019 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [0,2,0,0,0,0|2,0,0]=4 1020 B12R0.114 CCCCCNC(=O)C(C)CCC WXVL_AK0076SB0352 [0,2,0,0,0,0|1,0,0]=3 1021 B12R0.114 CCCCCNC(=O)C(C)CCC WXVL_AK0076SB0352 [0,2,0,0,0,0|1,0,0]=3 1022 B12R0.114 CCCCCNC(=O)[C@@H](O)CCC WXVL_AK0076SB3627 [0,2,0,0,0,0|1,0,0]=3 1023 B12R0.114 CCCCCNC(=O)[C@@H](O)CCC WXVL_AK0076SB3627 [0,2,0,0,0,0|1,0,0]=3 1024 B12R0.114 CCC[C@H](O)C(=O)NCCCCO WXVL_AK0075SB3627 [0,2,0,0,0,0|2,0,0]=4 1025 B12R0.114 CCC[C@H](O)C(=O)NCCCCO WXVL_AK0075SB3627 [0,2,0,0,0,0|2,0,0]=4 1026 B12R0.114 CCC[C@H](O)C(=O)NCCCOC WXVL_AK00637SB3627 [0,2,0,0,0,0|2,0,0]=4 1027 B12R0.114 CCC[C@H](O)C(=O)NCCCOC WXVL_AK00637SB3627 [0,2,0,0,0,0|2,0,0]=4 1028 B12R0.114 CCC[C@H](O)C(=O)NCCCSC WXVL_AK0965SB3627 [0,2,0,0,0,0|2,0,0]=4 1029 B12R0.114 CCC[C@H](O)C(=O)NCCCSC WXVL_AK0965SB3627 [0,2,0,0,0,0|2,0,0]=4 1030 B12R0.114 CCC[C@H](O)C(=O)NCCSCC WXVL_AK00494SB3627 [0,2,0,0,0,0|2,0,0]=4 1031 B12R0.114 CCC[C@H](O)C(=O)NCCSCC WXVL_AK00494SB3627 [0,2,0,0,0,0|2,0,0]=4 1032 B12R0.114 CN(CCO)C(=O)CCCCCBr WXVL_AN2670SB2192 [0,2,0,0,0,0|2,0,0]=4 1033 B12R0.114 CN(CCO)C(=O)CCCCCBr WXVL_AN2670SB2192 [0,2,0,0,0,0|2,0,0]=4 1034 B12R0.114 CN(CCO)C(=O)CCCCCO WXVL_AN2670SB2973 [0,2,0,0,0,0|2,0,0]=4 1035 B12R0.114 CN(CCO)C(=O)CCCCCO WXVL_AN2670SB2973 [0,2,0,0,0,0|2,0,0]=4 1036 B12R0.206 CCCCC/C=C/C(=O)NCCC WXVL_AK00504SB3331 [0,2,0,0,0,0|1,0,0]=3 1037 B12R0.206 CCCCC/C=C/C(=O)NCCC WXVL_AK00504SB3331 [0,2,0,0,0,0|1,0,0]=3 1038 B12R0.206 CCCCC/C=C/C(=O)NCCF WXVL_AK00466SB3331 [0,2,0,0,0,0|2,0,0]=4 1039 B12R0.206 CCCCC/C=C/C(=O)NCCF WXVL_AK00466SB3331 [0,2,0,0,0,0|2,0,0]=4 1040 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,2,0,0,0,0|1,0,0]=3 1041 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,2,0,0,0,0|1,0,0]=3 1042 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [0,2,0,0,0,0|2,0,0]=4 1043 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [0,2,0,0,0,0|2,0,0]=4 1044 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,2,0,0,0,0|2,0,0]=4 1045 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,2,0,0,0,0|2,0,0]=4 1046 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,2,0,0,0,0|2,0,0]=4 1047 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,2,0,0,0,0|2,0,0]=4 1048 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,2,0,0,0,0|2,0,0]=4 1049 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,2,0,0,0,0|2,0,0]=4 1050 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [0,2,0,0,0,0|2,0,0]=4 1051 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [0,2,0,0,0,0|2,0,0]=4 1052 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [0,2,0,0,0,0|2,0,0]=4 1053 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [0,2,0,0,0,0|2,0,0]=4 1054 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [0,2,0,0,0,0|1,0,0]=3 1055 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [0,2,0,0,0,0|1,0,0]=3 1056 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [0,2,0,0,0,0|2,0,0]=4 1057 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [0,2,0,0,0,0|2,0,0]=4 1058 B12R0.206 CCOCCCNC(=O)CCOC WXVL_AK0072SB0156 [0,2,0,0,0,0|2,0,0]=4 1059 B12R0.206 CCOCCCNC(=O)CCOC WXVL_AK0072SB0156 [0,2,0,0,0,0|2,0,0]=4 1060 B12R0.206 CCOCCCNC(=O)CCSC WXVL_AK0072SB0361 [0,2,0,0,0,0|2,0,0]=4 1061 B12R0.206 CCOCCCNC(=O)CCSC WXVL_AK0072SB0361 [0,2,0,0,0,0|2,0,0]=4 1062 B12R0.206 CCOCCCNC(=O)COCC WXVL_AK0072SB0091 [0,2,0,0,0,0|2,0,0]=4 1063 B12R0.206 CCOCCCNC(=O)COCC WXVL_AK0072SB0091 [0,2,0,0,0,0|2,0,0]=4 1064 B12R0.206 CCOCCCNC(=O)CSCC WXVL_AK0072SB0002 [0,2,0,0,0,0|2,0,0]=4 1065 B12R0.206 CCOCCCNC(=O)CSCC WXVL_AK0072SB0002 [0,2,0,0,0,0|2,0,0]=4 1066 B12R0.206 CCOCCCNC(=O)NCCCl WXVL_AK0072YV0092 [0,2,0,0,0,0|2,0,0]=4 1067 B12R0.206 CCOCCCNC(=O)NCCCl WXVL_AK0072YV0092 [0,2,0,0,0,0|2,0,0]=4 1068 B12R0.206 CCSCC(=O)NCCCCCO WXVL_AK0077SB0002 [0,2,0,0,0,0|2,0,0]=4 1069 B12R0.206 CCSCC(=O)NCCCCCO WXVL_AK0077SB0002 [0,2,0,0,0,0|2,0,0]=4 1070 B12R0.206 COCCC(=O)NCCCCCO WXVL_AK0077SB0156 [0,2,0,0,0,0|2,0,0]=4 1071 B12R0.206 COCCC(=O)NCCCCCO WXVL_AK0077SB0156 [0,2,0,0,0,0|2,0,0]=4 1072 B12R0.206 CSCCC(=O)NCCCCCO WXVL_AK0077SB0361 [0,2,0,0,0,0|2,0,0]=4 1073 B12R0.206 CSCCC(=O)NCCCCCO WXVL_AK0077SB0361 [0,2,0,0,0,0|2,0,0]=4 1074 B12R0.206 O=C(CCCCCCBr)NCCF WXVL_AK00466SB1386 [0,2,0,0,0,0|2,0,0]=4 1075 B12R0.206 O=C(CCCCCCBr)NCCF WXVL_AK00466SB1386 [0,2,0,0,0,0|2,0,0]=4 1076 B12R0.206 O=C(NCCCl)NCCCCCO WXVL_AK0077YV0092 [0,2,0,0,0,0|2,0,0]=4 1077 B12R0.206 O=C(NCCCl)NCCCCCO WXVL_AK0077YV0092 [0,2,0,0,0,0|2,0,0]=4 1078 B12R0.585 CCCCCNS(=O)(=O)CCCC WXVL_AK0076HU0031 [0,2,0,0,0,0|2,0,0]=4 1079 B12R0.585 CCCCCNS(=O)(=O)CCCC WXVL_AK0076HU0031 [0,2,0,0,0,0|2,0,0]=4 1080 B12R0.233 C#CCCNC(=O)CCCC(C)C WXVL_AK3109SB1301 [0,2,0,0,0,0|1,0,1]=4 1081 B12R0.233 C#CCCNC(=O)CCCC(C)C WXVL_AK3109SB1301 [0,2,0,0,0,0|1,0,1]=4 1082 B12R0.233 C=CCCNC(=O)CCCC(C)C WXVL_AK00138SB1301 [0,2,0,0,0,0|1,0,1]=4 1083 B12R0.233 C=CCCNC(=O)CCCC(C)C WXVL_AK00138SB1301 [0,2,0,0,0,0|1,0,1]=4 1084 B12R0.233 CC(C)CCCC(=O)NCCC#N WXVL_AK0087SB1301 [0,2,0,0,0,0|1,0,1]=4 1085 B12R0.233 CC(C)CCCC(=O)NCCC#N WXVL_AK0087SB1301 [0,2,0,0,0,0|1,0,1]=4 1086 B12R0.233 CC(C)CCCC(=O)NCCCO WXVL_AK0073SB1301 [0,2,0,0,0,0|1,0,0]=3 1087 B12R0.233 CC(C)CCCC(=O)NCCCO WXVL_AK0073SB1301 [0,2,0,0,0,0|1,0,0]=3 1088 B12R0.233 CC(C)CCNC(=O)CCCCBr WXVL_AK0068SB3153 [0,2,0,0,0,0|2,0,0]=4 1089 B12R0.233 CC(C)CCNC(=O)CCCCBr WXVL_AK0068SB3153 [0,2,0,0,0,0|2,0,0]=4 1090 B12R0.233 CC(C)CCNC(=O)CCCCCl WXVL_AK0068SB0379 [0,2,0,0,0,0|2,0,0]=4 1091 B12R0.233 CC(C)CCNC(=O)CCCCCl WXVL_AK0068SB0379 [0,2,0,0,0,0|2,0,0]=4 1092 B12R0.233 CC(C)CCNC(=O)NCCCCl WXVL_AK0068YV0130 [0,2,0,0,0,0|2,0,0]=4 1093 B12R0.233 CC(C)CCNC(=O)NCCCCl WXVL_AK0068YV0130 [0,2,0,0,0,0|2,0,0]=4 1094 B12R0.233 CCCCNC(=O)CCCC(C)C WXVL_AK00588SB1301 [0,2,0,0,0,0|1,0,0]=3 1095 B12R0.233 CCCCNC(=O)CCCC(C)C WXVL_AK00588SB1301 [0,2,0,0,0,0|1,0,0]=3 1096 B12R0.233 CCCCNC(=O)CCCN(C)C WXVL_AK00588SB00055 [0,2,0,0,0,0|2,0,0]=4 1097 B12R0.233 CCCCNC(=O)CCCN(C)C WXVL_AK00588SB00055 [0,2,0,0,0,0|2,0,0]=4 1098 B12R0.233 CN(C)CCCC(=O)NCCCO WXVL_AK0073SB00055 [0,2,0,0,0,0|2,0,0]=4 1099 B12R0.233 CN(C)CCCC(=O)NCCCO WXVL_AK0073SB00055 [0,2,0,0,0,0|2,0,0]=4 1100 B12R0.233 CN(C)CCNC(=O)CCCCBr WXVL_AK0058SB3153 [0,2,0,0,0,0|2,0,0]=4 1101 B12R0.233 CN(C)CCNC(=O)CCCCBr WXVL_AK0058SB3153 [0,2,0,0,0,0|2,0,0]=4 1102 B12R0.233 CN(C)CCNC(=O)CCCCCl WXVL_AK0058SB0379 [0,2,0,0,0,0|2,0,0]=4 1103 B12R0.233 CN(C)CCNC(=O)CCCCCl WXVL_AK0058SB0379 [0,2,0,0,0,0|2,0,0]=4 1104 B12R0.233 CSCCNC(=O)CCCC(C)C WXVL_AK00440SB1301 [0,2,0,0,0,0|1,0,0]=3 1105 B12R0.233 CSCCNC(=O)CCCC(C)C WXVL_AK00440SB1301 [0,2,0,0,0,0|1,0,0]=3 1106 B12R0.233 CSCCNC(=O)CCCN(C)C WXVL_AK00440SB00055 [0,2,0,0,0,0|2,0,0]=4 1107 B12R0.233 CSCCNC(=O)CCCN(C)C WXVL_AK00440SB00055 [0,2,0,0,0,0|2,0,0]=4 1108 B12R0.54 CC(C)CCCC(=O)N(C)CCO WXVL_AN2670SB1301 [0,2,0,0,0,0|2,0,0]=4 1109 B12R0.54 CC(C)CCCC(=O)N(C)CCO WXVL_AN2670SB1301 [0,2,0,0,0,0|2,0,0]=4 1110 B12R0.54 CCCC(C)C(=O)NCCC(C)C WXVL_AK0068SB0352 [0,2,0,0,0,0|2,0,0]=4 1111 B12R0.54 CCCC(C)C(=O)NCCC(C)C WXVL_AK0068SB0352 [0,2,0,0,0,0|2,0,0]=4 1112 B12R0.54 CCC[C@H](O)C(=O)NCCC(C)C WXVL_AK0068SB3627 [0,2,0,0,0,0|2,0,0]=4 1113 B12R0.54 CCC[C@H](O)C(=O)NCCC(C)C WXVL_AK0068SB3627 [0,2,0,0,0,0|2,0,0]=4 1114 B12R0.104 CCCNC(=O)CCCC(F)(F)F WXVL_AK00504SB1398 [0,2,0,0,0,0|2,0,0]=4 1115 B12R0.104 CCCNC(=O)CCCC(F)(F)F WXVL_AK00504SB1398 [0,2,0,0,0,0|2,0,0]=4 1116 B12R0.240 CC(C)CCCC(=O)N[C@@H](C)CF WXVL_AK00558SB1301 [0,2,0,0,0,0|2,0,0]=4 1117 B12R0.240 CC(C)CCCC(=O)N[C@@H](C)CF WXVL_AK00558SB1301 [0,2,0,0,0,0|2,0,0]=4 1118 B12R0.240 CC(C)CCCC(=O)N[C@@H](C)CO WXVL_AK0109SB1301 [0,2,0,0,0,0|2,0,0]=4 1119 B12R0.240 CC(C)CCCC(=O)N[C@@H](C)CO WXVL_AK0109SB1301 [0,2,0,0,0,0|2,0,0]=4 1120 B12R0.240 CCC(C)CC(=O)NCCC(C)C WXVL_AK0068SB0353 [0,2,0,0,0,0|2,0,0]=4 1121 B12R0.240 CCC(C)CC(=O)NCCC(C)C WXVL_AK0068SB0353 [0,2,0,0,0,0|2,0,0]=4 1122 B12R0.240 CCC(O)CC(=O)NCCC(C)C WXVL_AK0068SB4092 [0,2,0,0,0,0|2,0,0]=4 1123 B12R0.240 CCC(O)CC(=O)NCCC(C)C WXVL_AK0068SB4092 [0,2,0,0,0,0|2,0,0]=4 1124 B12R0.240 CC[C@@H](C)CC(=O)NCCC(C)C WXVL_AK0068SB8650 [0,2,0,0,0,0|2,0,0]=4 1125 B12R0.240 CC[C@@H](C)CC(=O)NCCC(C)C WXVL_AK0068SB8650 [0,2,0,0,0,0|2,0,0]=4 1126 B12R0.240 CC[C@H](C)NC(=O)CCCC(C)C WXVL_AK00678SB1301 [0,2,0,0,0,0|1,0,0]=3 1127 B12R0.240 CC[C@H](C)NC(=O)CCCC(C)C WXVL_AK00678SB1301 [0,2,0,0,0,0|1,0,0]=3 1128 B12R0.240 CC[C@H](C)NC(=O)CCCN(C)C WXVL_AK00678SB00055 [0,2,0,0,0,0|2,0,0]=4 1129 B12R0.240 CC[C@H](C)NC(=O)CCCN(C)C WXVL_AK00678SB00055 [0,2,0,0,0,0|2,0,0]=4 1130 B12R0.144 CC[C@H](CO)NC(=O)CCCCBr WXVL_AK0111SB3153 [0,2,0,0,0,0|2,0,0]=4 1131 B12R0.144 CC[C@H](CO)NC(=O)CCCCBr WXVL_AK0111SB3153 [0,2,0,0,0,0|2,0,0]=4 1132 B12R0.144 CC[C@H](CO)NC(=O)CCCCCl WXVL_AK0111SB0379 [0,2,0,0,0,0|2,0,0]=4 1133 B12R0.144 CC[C@H](CO)NC(=O)CCCCCl WXVL_AK0111SB0379 [0,2,0,0,0,0|2,0,0]=4 1134 B12R0.294 CCCCNC(=O)C(C)(C)CCC WXVL_AK00588SB0372 [0,2,0,0,0,0|2,0,0]=4 1135 B12R0.294 CCCCNC(=O)C(C)(C)CCC WXVL_AK00588SB0372 [0,2,0,0,0,0|2,0,0]=4 1136 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [1,0,0,1,0,0|1,0,0]=3 1137 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [1,0,0,1,0,0|1,0,0]=3 1138 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [1,0,0,1,0,0|1,0,0]=3 1139 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [1,0,0,1,0,0|1,0,0]=3 1140 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [1,0,0,1,0,0|2,0,0]=4 1141 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [1,0,0,1,0,0|2,0,0]=4 1142 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [1,0,0,1,0,0|2,0,0]=4 1143 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [1,0,0,1,0,0|2,0,0]=4 1144 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [1,0,0,1,0,0|2,0,0]=4 1145 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [1,0,0,1,0,0|2,0,0]=4 1146 B10R1.11 COCC(=O)N1CCCC1 WXVL_AN0008SB0090 [1,0,0,1,0,0|2,0,0]=4 1147 B10R1.11 COCC(=O)N1CCCC1 WXVL_AN0008SB0090 [1,0,0,1,0,0|2,0,0]=4 1148 B10R1.11 CSCC(=O)N1CCCC1 WXVL_AN0008SB1267 [1,0,0,1,0,0|2,0,0]=4 1149 B10R1.11 CSCC(=O)N1CCCC1 WXVL_AN0008SB1267 [1,0,0,1,0,0|2,0,0]=4 1150 B10R1.137 CCCC(=O)NC1CNC1 WXVL_AK1291SB0073 [1,0,0,1,0,0|2,0,0]=4 1151 B10R1.137 CCCC(=O)NC1CNC1 WXVL_AK1291SB0073 [1,0,0,1,0,0|2,0,0]=4 1152 B10R1.137 CCCC(=O)NC1CSC1 WXVL_AK2089SB0073 [1,0,0,1,0,0|2,0,0]=4 1153 B10R1.137 CCCC(=O)NC1CSC1 WXVL_AK2089SB0073 [1,0,0,1,0,0|2,0,0]=4 1154 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [1,0,0,1,0,0|1,0,0]=3 1155 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [1,0,0,1,0,0|1,0,0]=3 1156 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [1,0,0,1,0,0|1,0,0]=3 1157 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [1,0,0,1,0,0|1,0,0]=3 1158 B10R1.186 CCCCNC(=O)C1CC1 WXVL_AK00588SB0038 [1,0,0,1,0,0|1,0,0]=3 1159 B10R1.186 CCCCNC(=O)C1CC1 WXVL_AK00588SB0038 [1,0,0,1,0,0|1,0,0]=3 1160 B10R1.186 CSCCNC(=O)C1CC1 WXVL_AK00440SB0038 [1,0,0,1,0,0|2,0,0]=4 1161 B10R1.186 CSCCNC(=O)C1CC1 WXVL_AK00440SB0038 [1,0,0,1,0,0|2,0,0]=4 1162 B10R1.186 O=C(NCCCO)C1CC1 WXVL_AK0073SB0038 [1,0,0,1,0,0|2,0,0]=4 1163 B10R1.186 O=C(NCCCO)C1CC1 WXVL_AK0073SB0038 [1,0,0,1,0,0|2,0,0]=4 1164 B10R1.178 CCCNC(=O)C1CCC1 WXVL_AK00504SB0042 [1,0,0,1,0,0|1,0,0]=3 1165 B10R1.178 CCCNC(=O)C1CCC1 WXVL_AK00504SB0042 [1,0,0,1,0,0|1,0,0]=3 1166 B10R1.178 O=C(NCCF)C1CCC1 WXVL_AK00466SB0042 [1,0,0,1,0,0|2,0,0]=4 1167 B10R1.178 O=C(NCCF)C1CCC1 WXVL_AK00466SB0042 [1,0,0,1,0,0|2,0,0]=4 1168 B10R1.180 CCCNC(=O)CC1CC1 WXVL_AK00504SB0155 [1,0,0,1,0,0|1,0,0]=3 1169 B10R1.180 CCCNC(=O)CC1CC1 WXVL_AK00504SB0155 [1,0,0,1,0,0|1,0,0]=3 1170 B10R1.180 CCOCC(=O)NC1CC1 WXVL_AK0001SB0091 [1,0,0,1,0,0|2,0,0]=4 1171 B10R1.180 CCOCC(=O)NC1CC1 WXVL_AK0001SB0091 [1,0,0,1,0,0|2,0,0]=4 1172 B10R1.180 CCSCC(=O)NC1CC1 WXVL_AK0001SB0002 [1,0,0,1,0,0|2,0,0]=4 1173 B10R1.180 CCSCC(=O)NC1CC1 WXVL_AK0001SB0002 [1,0,0,1,0,0|2,0,0]=4 1174 B10R1.180 COCCC(=O)NC1CC1 WXVL_AK0001SB0156 [1,0,0,1,0,0|2,0,0]=4 1175 B10R1.180 COCCC(=O)NC1CC1 WXVL_AK0001SB0156 [1,0,0,1,0,0|2,0,0]=4 1176 B10R1.180 CSCCC(=O)NC1CC1 WXVL_AK0001SB0361 [1,0,0,1,0,0|2,0,0]=4 1177 B10R1.180 CSCCC(=O)NC1CC1 WXVL_AK0001SB0361 [1,0,0,1,0,0|2,0,0]=4 1178 B10R1.180 O=C(CC1CC1)NCCF WXVL_AK00466SB0155 [1,0,0,1,0,0|2,0,0]=4 1179 B10R1.180 O=C(CC1CC1)NCCF WXVL_AK00466SB0155 [1,0,0,1,0,0|2,0,0]=4 1180 B10R1.293 CC1CC1C(=O)NCCF WXVL_AK00466SB0041 [1,0,0,1,0,0|2,0,0]=4 1181 B10R1.293 CC1CC1C(=O)NCCF WXVL_AK00466SB0041 [1,0,0,1,0,0|2,0,0]=4 1182 B10R1.293 CCCNC(=O)C1CC1C WXVL_AK00504SB0041 [1,0,0,1,0,0|1,0,0]=3 1183 B10R1.293 CCCNC(=O)C1CC1C WXVL_AK00504SB0041 [1,0,0,1,0,0|1,0,0]=3 1184 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00504SB1245 [1,0,0,1,0,0|2,0,0]=4 1185 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00504SB1245 [1,0,0,1,0,0|2,0,0]=4 1186 B10R1.293 CCCNC(=O)[C@H]1C[C@H]1F WXVL_AK00504SB00019 [1,0,0,1,0,0|2,0,0]=4 1187 B10R1.293 CCCNC(=O)[C@H]1C[C@H]1F WXVL_AK00504SB00019 [1,0,0,1,0,0|2,0,0]=4 1188 B12R1.53 CCCNC(=O)CC1CCCC1 WXVL_AK00504SB0044 [0,1,0,1,0,0|1,0,0]=3 1189 B12R1.53 CCCNC(=O)CC1CCCC1 WXVL_AK00504SB0044 [0,1,0,1,0,0|1,0,0]=3 1190 B12R1.53 CCCNC(=O)CN1CCCC1 WXVL_AK00504SB0201 [0,1,0,1,0,0|1,0,0]=3 1191 B12R1.53 CCCNC(=O)CN1CCCC1 WXVL_AK00504SB0201 [0,1,0,1,0,0|1,0,0]=3 1192 B12R1.53 O=C(CC1CCCC1)NCCF WXVL_AK00466SB0044 [0,1,0,1,0,0|2,0,0]=4 1193 B12R1.53 O=C(CC1CCCC1)NCCF WXVL_AK00466SB0044 [0,1,0,1,0,0|2,0,0]=4 1194 B12R1.53 O=C(CN1CCCC1)NCCF WXVL_AK00466SB0201 [0,1,0,1,0,0|2,0,0]=4 1195 B12R1.53 O=C(CN1CCCC1)NCCF WXVL_AK00466SB0201 [0,1,0,1,0,0|2,0,0]=4 1196 B12R1.460 CC1CCCC1C(=O)NCCF WXVL_AK00466SB0904 [0,1,0,1,0,0|2,0,0]=4 1197 B12R1.460 CC1CCCC1C(=O)NCCF WXVL_AK00466SB0904 [0,1,0,1,0,0|2,0,0]=4 1198 B12R1.460 CCCNC(=O)C1CCCC1C WXVL_AK00504SB0904 [0,1,0,1,0,0|1,0,0]=3 1199 B12R1.460 CCCNC(=O)C1CCCC1C WXVL_AK00504SB0904 [0,1,0,1,0,0|1,0,0]=3 1200 B12R1.460 CCCNC(=O)[C@@H]1CCCN1C WXVL_AK00504SB1197 [0,1,0,1,0,0|1,0,0]=3 1201 B12R1.460 CCCNC(=O)[C@@H]1CCCN1C WXVL_AK00504SB1197 [0,1,0,1,0,0|1,0,0]=3 1202 B12R1.460 CCOCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0091 [0,1,0,1,0,0|2,0,0]=4 1203 B12R1.460 CCSCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0002 [0,1,0,1,0,0|2,0,0]=4 1204 B12R1.460 CN1CCC[C@H]1C(=O)NCCF WXVL_AK00466SB1197 [0,1,0,1,0,0|2,0,0]=4 1205 B12R1.460 CN1CCC[C@H]1C(=O)NCCF WXVL_AK00466SB1197 [0,1,0,1,0,0|2,0,0]=4 1206 B12R1.460 COCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0156 [0,1,0,1,0,0|2,0,0]=4 1207 B12R1.460 CSCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0361 [0,1,0,1,0,0|2,0,0]=4 1208 B12R1.460 C[C@@H]1CCCN1C(=O)NCCCl WXVL_AN00593YV0092 [0,1,0,1,0,0|2,0,0]=4 1209 B12R1.519 CCC[C@H](C)NC(=O)C1CCC1 WXVL_AK00682SB0042 [0,1,0,1,0,0|2,0,0]=4 1210 B12R1.519 CCC[C@H](C)NC(=O)C1CCC1 WXVL_AK00682SB0042 [0,1,0,1,0,0|2,0,0]=4 1211 B12R1.521 CCC[C@H](C)NC(=O)CC1CC1 WXVL_AK00682SB0155 [0,1,0,1,0,0|2,0,0]=4 1212 B12R1.521 CCC[C@H](C)NC(=O)CC1CC1 WXVL_AK00682SB0155 [0,1,0,1,0,0|2,0,0]=4 1213 B12R1.2044 CCCNC(=O)CC1(CCC1)O WXVL_AK00504SB0026 [0,1,0,1,0,0|1,0,0]=3 1214 B12R1.2044 CCCNC(=O)CC1(CCC1)O WXVL_AK00504SB0026 [0,1,0,1,0,0|1,0,0]=3 1215 B12R1.2044 O=C(CC1(CCC1)O)NCCF WXVL_AK00466SB0026 [0,1,0,1,0,0|2,0,0]=4 1216 B12R1.2044 O=C(CC1(CCC1)O)NCCF WXVL_AK00466SB0026 [0,1,0,1,0,0|2,0,0]=4 1217 B12R1.3418 CCC[C@H](C)NC(=O)C1CC1C WXVL_AK00682SB0041 [0,1,0,1,0,0|2,0,0]=4 1218 B12R1.3418 CCC[C@H](C)NC(=O)C1CC1C WXVL_AK00682SB0041 [0,1,0,1,0,0|2,0,0]=4 1219 B12R1.29 CCCNC(=O)C1CCN(C1)C WXVL_AK00504SB1540 [0,1,0,1,0,0|2,0,0]=4 1220 B12R1.29 CCCNC(=O)C1CCN(C1)C WXVL_AK00504SB1540 [0,1,0,1,0,0|2,0,0]=4 1221 B12R1.29 CCCNC(=O)[C@@H]1C[C@@H](CN1)O WXVL_AK00504SB00007 [0,1,0,1,0,0|2,0,0]=4 1222 B12R1.29 CCCNC(=O)[C@@H]1C[C@@H](CN1)O WXVL_AK00504SB00007 [0,1,0,1,0,0|2,0,0]=4 1223 B12R1.29 CCCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK00504SB0853 [0,1,0,1,0,0|1,0,0]=3 1224 B12R1.29 CCCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK00504SB0853 [0,1,0,1,0,0|1,0,0]=3 1225 B12R1.29 C[C@@H]1CC[C@@H](O1)C(=O)NCCF WXVL_AK00466SB0853 [0,1,0,1,0,0|2,0,0]=4 1226 B12R1.29 C[C@@H]1CC[C@@H](O1)C(=O)NCCF WXVL_AK00466SB0853 [0,1,0,1,0,0|2,0,0]=4 1227 B12R1.30 CCCNC(=O)C1CC=CCC1 WXVL_AK00504SB3640 [0,1,0,1,0,0|1,0,1]=4 1228 B12R1.30 CCCNC(=O)C1CC=CCC1 WXVL_AK00504SB3640 [0,1,0,1,0,0|1,0,1]=4 1229 B12R1.30 CCCNC(=O)C1CCCCC1 WXVL_AK00504SB0047 [0,1,0,1,0,0|1,0,0]=3 1230 B12R1.30 CCCNC(=O)C1CCCCC1 WXVL_AK00504SB0047 [0,1,0,1,0,0|1,0,0]=3 1231 B12R1.30 CCCNC(=O)C1CCCCO1 WXVL_AK00504SB0206 [0,1,0,1,0,0|1,0,0]=3 1232 B12R1.30 CCCNC(=O)C1CCCCO1 WXVL_AK00504SB0206 [0,1,0,1,0,0|1,0,0]=3 1233 B12R1.30 CCCNC(=O)C1CCOCC1 WXVL_AK00504SB0149 [0,1,0,1,0,0|1,0,0]=3 1234 B12R1.30 CCCNC(=O)C1CCOCC1 WXVL_AK00504SB0149 [0,1,0,1,0,0|1,0,0]=3 1235 B12R1.30 CCCNC(=O)C1CCSCC1 WXVL_AK00504SB0752 [0,1,0,1,0,0|1,0,0]=3 1236 B12R1.30 CCCNC(=O)C1CCSCC1 WXVL_AK00504SB0752 [0,1,0,1,0,0|1,0,0]=3 1237 B12R1.30 CCCNC(=O)[C@H]1CCCCO1 WXVL_AK00504SB00044 [0,1,0,1,0,0|1,0,0]=3 1238 B12R1.30 CCCNC(=O)[C@H]1CCCCO1 WXVL_AK00504SB00044 [0,1,0,1,0,0|1,0,0]=3 1239 B12R1.30 O=C(NCCF)C1CCCCC1 WXVL_AK00466SB0047 [0,1,0,1,0,0|2,0,0]=4 1240 B12R1.30 O=C(NCCF)C1CCCCC1 WXVL_AK00466SB0047 [0,1,0,1,0,0|2,0,0]=4 1241 B12R1.30 O=C(NCCF)C1CCCCO1 WXVL_AK00466SB0206 [0,1,0,1,0,0|2,0,0]=4 1242 B12R1.30 O=C(NCCF)C1CCCCO1 WXVL_AK00466SB0206 [0,1,0,1,0,0|2,0,0]=4 1243 B12R1.30 O=C(NCCF)C1CCOCC1 WXVL_AK00466SB0149 [0,1,0,1,0,0|2,0,0]=4 1244 B12R1.30 O=C(NCCF)C1CCOCC1 WXVL_AK00466SB0149 [0,1,0,1,0,0|2,0,0]=4 1245 B12R1.30 O=C(NCCF)C1CCSCC1 WXVL_AK00466SB0752 [0,1,0,1,0,0|2,0,0]=4 1246 B12R1.30 O=C(NCCF)C1CCSCC1 WXVL_AK00466SB0752 [0,1,0,1,0,0|2,0,0]=4 1247 B12R1.30 O=C(NCCF)[C@H]1CCCCO1 WXVL_AK00466SB00044 [0,1,0,1,0,0|2,0,0]=4 1248 B12R1.30 O=C(NCCF)[C@H]1CCCCO1 WXVL_AK00466SB00044 [0,1,0,1,0,0|2,0,0]=4 1249 B12R1.914 CCCCC(O)C(=O)NC1CC1 WXVL_AK0001SB3429 [0,1,0,1,0,0|1,0,0]=3 1250 B12R1.914 CCCCC(O)C(=O)NC1CC1 WXVL_AK0001SB3429 [0,1,0,1,0,0|1,0,0]=3 1251 B12R1.2022 CC1(CCCC1)C(=O)NCCF WXVL_AK00466SB0209 [0,1,0,1,0,0|2,0,0]=4 1252 B12R1.2022 CC1(CCCC1)C(=O)NCCF WXVL_AK00466SB0209 [0,1,0,1,0,0|2,0,0]=4 1253 B12R1.2022 CCCNC(=O)C1(CCCC1)C WXVL_AK00504SB0209 [0,1,0,1,0,0|1,0,0]=3 1254 B12R1.2022 CCCNC(=O)C1(CCCC1)C WXVL_AK00504SB0209 [0,1,0,1,0,0|1,0,0]=3 1255 B12R1.2022 CCCNC(=O)[C@]1(CCCN1)C WXVL_AK00504SB00033 [0,1,0,1,0,0|2,0,0]=4 1256 B12R1.2022 CCCNC(=O)[C@]1(CCCN1)C WXVL_AK00504SB00033 [0,1,0,1,0,0|2,0,0]=4 1257 B12R1.54 C=C(C)CNC(=O)C1CCCC1 WXVL_AK0761SB0043 [0,1,0,1,0,0|1,0,1]=4 1258 B12R1.54 C=C(C)CNC(=O)C1CCCC1 WXVL_AK0761SB0043 [0,1,0,1,0,0|1,0,1]=4 1259 B12R1.54 CC(C)CCC(=O)N1CCCC1 WXVL_AN0008SB0354 [0,1,0,1,0,0|2,0,0]=4 1260 B12R1.54 CC(C)CCC(=O)N1CCCC1 WXVL_AN0008SB0354 [0,1,0,1,0,0|2,0,0]=4 1261 B12R1.54 CC(C)CNC(=O)C1CCCC1 WXVL_AK00544SB0043 [0,1,0,1,0,0|1,0,0]=3 1262 B12R1.54 CC(C)CNC(=O)C1CCCC1 WXVL_AK00544SB0043 [0,1,0,1,0,0|1,0,0]=3 1263 B12R1.54 CC(C)CNC(=O)C1CCCO1 WXVL_AK00544SB1033 [0,1,0,1,0,0|2,0,0]=4 1264 B12R1.54 CC(C)CNC(=O)C1CCCO1 WXVL_AK00544SB1033 [0,1,0,1,0,0|2,0,0]=4 1265 B12R1.54 CC(C)CNC(=O)C1CCCS1 WXVL_AK00544SB0022 [0,1,0,1,0,0|2,0,0]=4 1266 B12R1.54 CC(C)CNC(=O)C1CCCS1 WXVL_AK00544SB0022 [0,1,0,1,0,0|2,0,0]=4 1267 B12R1.54 CC(C)CNC(=O)[C@H]1CCCO1 WXVL_AK00544SB00043 [0,1,0,1,0,0|2,0,0]=4 1268 B12R1.54 CC(C)CNC(=O)[C@H]1CCCO1 WXVL_AK00544SB00043 [0,1,0,1,0,0|2,0,0]=4 1269 B12R1.54 CC(O)CNC(=O)C1CCCC1 WXVL_AK0052SB0043 [0,1,0,1,0,0|1,0,0]=3 1270 B12R1.54 CC(O)CNC(=O)C1CCCC1 WXVL_AK0052SB0043 [0,1,0,1,0,0|1,0,0]=3 1271 B12R1.54 CC(O)CNC(=O)C1CCCO1 WXVL_AK0052SB1033 [0,1,0,1,0,0|2,0,0]=4 1272 B12R1.54 CC(O)CNC(=O)C1CCCO1 WXVL_AK0052SB1033 [0,1,0,1,0,0|2,0,0]=4 1273 B12R1.54 CC(O)CNC(=O)C1CCCS1 WXVL_AK0052SB0022 [0,1,0,1,0,0|2,0,0]=4 1274 B12R1.54 CC(O)CNC(=O)C1CCCS1 WXVL_AK0052SB0022 [0,1,0,1,0,0|2,0,0]=4 1275 B12R1.54 CC(O)CNC(=O)[C@H]1CCCO1 WXVL_AK0052SB00043 [0,1,0,1,0,0|2,0,0]=4 1276 B12R1.54 CC(O)CNC(=O)[C@H]1CCCO1 WXVL_AK0052SB00043 [0,1,0,1,0,0|2,0,0]=4 1277 B12R1.54 C[C@H](O)CNC(=O)C1CCCC1 WXVL_AK0113SB0043 [0,1,0,1,0,0|1,0,0]=3 1278 B12R1.54 C[C@H](O)CNC(=O)C1CCCC1 WXVL_AK0113SB0043 [0,1,0,1,0,0|1,0,0]=3 1279 B12R1.54 C[C@H](O)CNC(=O)C1CCCO1 WXVL_AK0113SB1033 [0,1,0,1,0,0|2,0,0]=4 1280 B12R1.54 C[C@H](O)CNC(=O)C1CCCO1 WXVL_AK0113SB1033 [0,1,0,1,0,0|2,0,0]=4 1281 B12R1.54 C[C@H](O)CNC(=O)C1CCCS1 WXVL_AK0113SB0022 [0,1,0,1,0,0|2,0,0]=4 1282 B12R1.54 C[C@H](O)CNC(=O)C1CCCS1 WXVL_AK0113SB0022 [0,1,0,1,0,0|2,0,0]=4 1283 B12R1.54 C[C@H](O)CNC(=O)[C@H]1CCCO1 WXVL_AK0113SB00043 [0,1,0,1,0,0|2,0,0]=4 1284 B12R1.54 C[C@H](O)CNC(=O)[C@H]1CCCO1 WXVL_AK0113SB00043 [0,1,0,1,0,0|2,0,0]=4 1285 B12R1.54 O=C(NCC(F)F)C1CCCC1 WXVL_AK0136SB0043 [0,1,0,1,0,0|2,0,0]=4 1286 B12R1.54 O=C(NCC(F)F)C1CCCC1 WXVL_AK0136SB0043 [0,1,0,1,0,0|2,0,0]=4 1287 B12R1.484 C#CCCNC(=O)CCC1CC1 WXVL_AK3109SB5360 [0,1,0,1,0,0|1,0,1]=4 1288 B12R1.484 C#CCCNC(=O)CCC1CC1 WXVL_AK3109SB5360 [0,1,0,1,0,0|1,0,1]=4 1289 B12R1.484 C=CCCNC(=O)CCC1CC1 WXVL_AK00138SB5360 [0,1,0,1,0,0|1,0,1]=4 1290 B12R1.484 C=CCCNC(=O)CCC1CC1 WXVL_AK00138SB5360 [0,1,0,1,0,0|1,0,1]=4 1291 B12R1.484 CCCCNC(=O)C=CC1CC1 WXVL_AK00588SB4216 [0,1,0,1,0,0|2,0,0]=4 1292 B12R1.484 CCCCNC(=O)C=CC1CC1 WXVL_AK00588SB4216 [0,1,0,1,0,0|2,0,0]=4 1293 B12R1.484 CCCCNC(=O)CCC1CC1 WXVL_AK00588SB5360 [0,1,0,1,0,0|1,0,0]=3 1294 B12R1.484 CCCCNC(=O)CCC1CC1 WXVL_AK00588SB5360 [0,1,0,1,0,0|1,0,0]=3 1295 B12R1.484 CSCCNC(=O)CCC1CC1 WXVL_AK00440SB5360 [0,1,0,1,0,0|1,0,0]=3 1296 B12R1.484 CSCCNC(=O)CCC1CC1 WXVL_AK00440SB5360 [0,1,0,1,0,0|1,0,0]=3 1297 B12R1.484 N#CCCNC(=O)CCC1CC1 WXVL_AK0087SB5360 [0,1,0,1,0,0|1,0,1]=4 1298 B12R1.484 N#CCCNC(=O)CCC1CC1 WXVL_AK0087SB5360 [0,1,0,1,0,0|1,0,1]=4 1299 B12R1.484 O=C(CCC1CC1)NCCCO WXVL_AK0073SB5360 [0,1,0,1,0,0|1,0,0]=3 1300 B12R1.484 O=C(CCC1CC1)NCCCO WXVL_AK0073SB5360 [0,1,0,1,0,0|1,0,0]=3 1301 B12R1.486 CC1CN(C1)C(=O)CCCCBr WXVL_AN0291SB3153 [0,1,0,1,0,0|2,0,0]=4 1302 B12R1.486 CC1CN(C1)C(=O)CCCCBr WXVL_AN0291SB3153 [0,1,0,1,0,0|2,0,0]=4 1303 B12R1.486 CC1CN(C1)C(=O)CCCCCl WXVL_AN0291SB0379 [0,1,0,1,0,0|2,0,0]=4 1304 B12R1.486 CC1CN(C1)C(=O)CCCCCl WXVL_AN0291SB0379 [0,1,0,1,0,0|2,0,0]=4 1305 B12R1.486 CCCCNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00588SB3648 [0,1,0,1,0,0|2,0,0]=4 1306 B12R1.486 CCCCNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00588SB3648 [0,1,0,1,0,0|2,0,0]=4 1307 B12R1.486 CCCCNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00588SB0837 [0,1,0,1,0,0|2,0,0]=4 1308 B12R1.486 CCCCNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00588SB0837 [0,1,0,1,0,0|2,0,0]=4 1309 B12R1.486 O=C(CCCCBr)N1CC(C1)O WXVL_AN0284SB3153 [0,1,0,1,0,0|2,0,0]=4 1310 B12R1.486 O=C(CCCCBr)N1CC(C1)O WXVL_AN0284SB3153 [0,1,0,1,0,0|2,0,0]=4 1311 B12R1.486 O=C(CCCCCl)N1CC(C1)O WXVL_AN0284SB0379 [0,1,0,1,0,0|2,0,0]=4 1312 B12R1.486 O=C(CCCCCl)N1CC(C1)O WXVL_AN0284SB0379 [0,1,0,1,0,0|2,0,0]=4 1313 B12R1.551 C=C(C)CNC(=O)CC1CCC1 WXVL_AK0761SB2207 [0,1,0,1,0,0|1,0,1]=4 1314 B12R1.551 C=C(C)CNC(=O)CC1CCC1 WXVL_AK0761SB2207 [0,1,0,1,0,0|1,0,1]=4 1315 B12R1.551 CC(C)CNC(=O)CC1CCC1 WXVL_AK00544SB2207 [0,1,0,1,0,0|1,0,0]=3 1316 B12R1.551 CC(C)CNC(=O)CC1CCC1 WXVL_AK00544SB2207 [0,1,0,1,0,0|1,0,0]=3 1317 B12R1.551 CC(O)CNC(=O)CC1CCC1 WXVL_AK0052SB2207 [0,1,0,1,0,0|1,0,0]=3 1318 B12R1.551 CC(O)CNC(=O)CC1CCC1 WXVL_AK0052SB2207 [0,1,0,1,0,0|1,0,0]=3 1319 B12R1.551 C[C@H](O)CNC(=O)CC1CCC1 WXVL_AK0113SB2207 [0,1,0,1,0,0|1,0,0]=3 1320 B12R1.551 C[C@H](O)CNC(=O)CC1CCC1 WXVL_AK0113SB2207 [0,1,0,1,0,0|1,0,0]=3 1321 B12R1.551 O=C(CC1CCC1)NCC(F)F WXVL_AK0136SB2207 [0,1,0,1,0,0|2,0,0]=4 1322 B12R1.551 O=C(CC1CCC1)NCC(F)F WXVL_AK0136SB2207 [0,1,0,1,0,0|2,0,0]=4 1323 B12R1.552 C=C(C)CNC(=O)CCC1CC1 WXVL_AK0761SB5360 [0,1,0,1,0,0|1,0,1]=4 1324 B12R1.552 C=C(C)CNC(=O)CCC1CC1 WXVL_AK0761SB5360 [0,1,0,1,0,0|1,0,1]=4 1325 B12R1.552 CC(C)CNC(=O)CCC1CC1 WXVL_AK00544SB5360 [0,1,0,1,0,0|1,0,0]=3 1326 B12R1.552 CC(C)CNC(=O)CCC1CC1 WXVL_AK00544SB5360 [0,1,0,1,0,0|1,0,0]=3 1327 B12R1.552 CC(O)CNC(=O)CCC1CC1 WXVL_AK0052SB5360 [0,1,0,1,0,0|1,0,0]=3 1328 B12R1.552 CC(O)CNC(=O)CCC1CC1 WXVL_AK0052SB5360 [0,1,0,1,0,0|1,0,0]=3 1329 B12R1.552 C[C@H](O)CNC(=O)CCC1CC1 WXVL_AK0113SB5360 [0,1,0,1,0,0|1,0,0]=3 1330 B12R1.552 C[C@H](O)CNC(=O)CCC1CC1 WXVL_AK0113SB5360 [0,1,0,1,0,0|1,0,0]=3 1331 B12R1.552 O=C(CCC1CC1)NCC(F)F WXVL_AK0136SB5360 [0,1,0,1,0,0|2,0,0]=4 1332 B12R1.552 O=C(CCC1CC1)NCC(F)F WXVL_AK0136SB5360 [0,1,0,1,0,0|2,0,0]=4 1333 B12R1.2132 CCCCNC(=O)C1CC1(C)C WXVL_AK00588SB0012 [0,1,0,1,0,0|2,0,0]=4 1334 B12R1.2132 CCCCNC(=O)C1CC1(C)C WXVL_AK00588SB0012 [0,1,0,1,0,0|2,0,0]=4 1335 B12R1.463 CCCNC(=O)CCC1CCC1 WXVL_AK00504SB8784 [0,1,0,1,0,0|1,0,0]=3 1336 B12R1.463 CCCNC(=O)CCC1CCC1 WXVL_AK00504SB8784 [0,1,0,1,0,0|1,0,0]=3 1337 B12R1.463 CCOCC(=O)NCC1CCC1 WXVL_AK00492SB0091 [0,1,0,1,0,0|2,0,0]=4 1338 B12R1.463 CCOCC(=O)NCC1CCC1 WXVL_AK00492SB0091 [0,1,0,1,0,0|2,0,0]=4 1339 B12R1.463 CCSCC(=O)NCC1CCC1 WXVL_AK00492SB0002 [0,1,0,1,0,0|2,0,0]=4 1340 B12R1.463 CCSCC(=O)NCC1CCC1 WXVL_AK00492SB0002 [0,1,0,1,0,0|2,0,0]=4 1341 B12R1.463 COCCC(=O)NCC1CCC1 WXVL_AK00492SB0156 [0,1,0,1,0,0|2,0,0]=4 1342 B12R1.463 COCCC(=O)NCC1CCC1 WXVL_AK00492SB0156 [0,1,0,1,0,0|2,0,0]=4 1343 B12R1.463 CSCCC(=O)NCC1CCC1 WXVL_AK00492SB0361 [0,1,0,1,0,0|2,0,0]=4 1344 B12R1.463 CSCCC(=O)NCC1CCC1 WXVL_AK00492SB0361 [0,1,0,1,0,0|2,0,0]=4 1345 B12R1.463 O=C(CCC1CCC1)NCCF WXVL_AK00466SB8784 [0,1,0,1,0,0|2,0,0]=4 1346 B12R1.463 O=C(CCC1CCC1)NCCF WXVL_AK00466SB8784 [0,1,0,1,0,0|2,0,0]=4 1347 B12R1.463 O=C(NCCCl)NCC1CCC1 WXVL_AK00492YV0092 [0,1,0,1,0,0|2,0,0]=4 1348 B12R1.463 O=C(NCCCl)NCC1CCC1 WXVL_AK00492YV0092 [0,1,0,1,0,0|2,0,0]=4 1349 B12R1.464 CCOCC(=O)NCCC1CC1 WXVL_AK00594SB0091 [0,1,0,1,0,0|2,0,0]=4 1350 B12R1.464 CCOCC(=O)NCCC1CC1 WXVL_AK00594SB0091 [0,1,0,1,0,0|2,0,0]=4 1351 B12R1.464 CCSCC(=O)NCCC1CC1 WXVL_AK00594SB0002 [0,1,0,1,0,0|2,0,0]=4 1352 B12R1.464 CCSCC(=O)NCCC1CC1 WXVL_AK00594SB0002 [0,1,0,1,0,0|2,0,0]=4 1353 B12R1.464 COCCC(=O)NCCC1CC1 WXVL_AK00594SB0156 [0,1,0,1,0,0|2,0,0]=4 1354 B12R1.464 COCCC(=O)NCCC1CC1 WXVL_AK00594SB0156 [0,1,0,1,0,0|2,0,0]=4 1355 B12R1.464 CSCCC(=O)NCCC1CC1 WXVL_AK00594SB0361 [0,1,0,1,0,0|2,0,0]=4 1356 B12R1.464 CSCCC(=O)NCCC1CC1 WXVL_AK00594SB0361 [0,1,0,1,0,0|2,0,0]=4 1357 B12R1.464 O=C(NCCCl)NCCC1CC1 WXVL_AK00594YV0092 [0,1,0,1,0,0|2,0,0]=4 1358 B12R1.464 O=C(NCCCl)NCCC1CC1 WXVL_AK00594YV0092 [0,1,0,1,0,0|2,0,0]=4 1359 B12R1.561 CCCCCNC(=O)C1CCC1 WXVL_AK0076SB0042 [0,1,0,1,0,0|1,0,0]=3 1360 B12R1.561 CCCCCNC(=O)C1CCC1 WXVL_AK0076SB0042 [0,1,0,1,0,0|1,0,0]=3 1361 B12R1.561 CCSCCNC(=O)C1CCC1 WXVL_AK00494SB0042 [0,1,0,1,0,0|2,0,0]=4 1362 B12R1.561 CCSCCNC(=O)C1CCC1 WXVL_AK00494SB0042 [0,1,0,1,0,0|2,0,0]=4 1363 B12R1.561 COCCCNC(=O)C1CCC1 WXVL_AK00637SB0042 [0,1,0,1,0,0|2,0,0]=4 1364 B12R1.561 COCCCNC(=O)C1CCC1 WXVL_AK00637SB0042 [0,1,0,1,0,0|2,0,0]=4 1365 B12R1.561 CSCCCNC(=O)C1CCC1 WXVL_AK0965SB0042 [0,1,0,1,0,0|2,0,0]=4 1366 B12R1.561 CSCCCNC(=O)C1CCC1 WXVL_AK0965SB0042 [0,1,0,1,0,0|2,0,0]=4 1367 B12R1.561 O=C(NCCCCO)C1CCC1 WXVL_AK0075SB0042 [0,1,0,1,0,0|2,0,0]=4 1368 B12R1.561 O=C(NCCCCO)C1CCC1 WXVL_AK0075SB0042 [0,1,0,1,0,0|2,0,0]=4 1369 B12R1.563 CCCCCNC(=O)CC1CC1 WXVL_AK0076SB0155 [0,1,0,1,0,0|1,0,0]=3 1370 B12R1.563 CCCCCNC(=O)CC1CC1 WXVL_AK0076SB0155 [0,1,0,1,0,0|1,0,0]=3 1371 B12R1.563 CCSCCNC(=O)CC1CC1 WXVL_AK00494SB0155 [0,1,0,1,0,0|2,0,0]=4 1372 B12R1.563 CCSCCNC(=O)CC1CC1 WXVL_AK00494SB0155 [0,1,0,1,0,0|2,0,0]=4 1373 B12R1.563 COCCCNC(=O)CC1CC1 WXVL_AK00637SB0155 [0,1,0,1,0,0|2,0,0]=4 1374 B12R1.563 COCCCNC(=O)CC1CC1 WXVL_AK00637SB0155 [0,1,0,1,0,0|2,0,0]=4 1375 B12R1.563 COCCOCC(=O)NC1CC1 WXVL_AK0001SB0159 [0,1,0,1,0,0|2,0,0]=4 1376 B12R1.563 COCCOCC(=O)NC1CC1 WXVL_AK0001SB0159 [0,1,0,1,0,0|2,0,0]=4 1377 B12R1.563 CSCCCNC(=O)CC1CC1 WXVL_AK0965SB0155 [0,1,0,1,0,0|2,0,0]=4 1378 B12R1.563 CSCCCNC(=O)CC1CC1 WXVL_AK0965SB0155 [0,1,0,1,0,0|2,0,0]=4 1379 B12R1.563 O=C(CC1CC1)NCCCCO WXVL_AK0075SB0155 [0,1,0,1,0,0|2,0,0]=4 1380 B12R1.563 O=C(CC1CC1)NCCCCO WXVL_AK0075SB0155 [0,1,0,1,0,0|2,0,0]=4 1381 B12R1.563 O=C(CCCCCBr)NC1CC1 WXVL_AK0001SB2192 [0,1,0,1,0,0|1,0,0]=3 1382 B12R1.563 O=C(CCCCCBr)NC1CC1 WXVL_AK0001SB2192 [0,1,0,1,0,0|1,0,0]=3 1383 B12R1.563 O=C(CCCCCO)NC1CC1 WXVL_AK0001SB2973 [0,1,0,1,0,0|1,0,0]=3 1384 B12R1.563 O=C(CCCCCO)NC1CC1 WXVL_AK0001SB2973 [0,1,0,1,0,0|1,0,0]=3 1385 B12R1.2563 CC1CC1C(=O)NCCCCO WXVL_AK0075SB0041 [0,1,0,1,0,0|2,0,0]=4 1386 B12R1.2563 CC1CC1C(=O)NCCCCO WXVL_AK0075SB0041 [0,1,0,1,0,0|2,0,0]=4 1387 B12R1.2563 CCCCCNC(=O)C1CC1C WXVL_AK0076SB0041 [0,1,0,1,0,0|1,0,0]=3 1388 B12R1.2563 CCCCCNC(=O)C1CC1C WXVL_AK0076SB0041 [0,1,0,1,0,0|1,0,0]=3 1389 B12R1.2563 CCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK0076SB1245 [0,1,0,1,0,0|2,0,0]=4 1390 B12R1.2563 CCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK0076SB1245 [0,1,0,1,0,0|2,0,0]=4 1391 B12R1.2563 CCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK0076SB00019 [0,1,0,1,0,0|2,0,0]=4 1392 B12R1.2563 CCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK0076SB00019 [0,1,0,1,0,0|2,0,0]=4 1393 B12R1.2563 CCSCCNC(=O)C1CC1C WXVL_AK00494SB0041 [0,1,0,1,0,0|2,0,0]=4 1394 B12R1.2563 CCSCCNC(=O)C1CC1C WXVL_AK00494SB0041 [0,1,0,1,0,0|2,0,0]=4 1395 B12R1.2563 COCCCNC(=O)C1CC1C WXVL_AK00637SB0041 [0,1,0,1,0,0|2,0,0]=4 1396 B12R1.2563 COCCCNC(=O)C1CC1C WXVL_AK00637SB0041 [0,1,0,1,0,0|2,0,0]=4 1397 B12R1.2563 CSCCCNC(=O)C1CC1C WXVL_AK0965SB0041 [0,1,0,1,0,0|2,0,0]=4 1398 B12R1.2563 CSCCCNC(=O)C1CC1C WXVL_AK0965SB0041 [0,1,0,1,0,0|2,0,0]=4 1399 B12R1.35 C#CCCNC(=O)C1CCCC1 WXVL_AK3109SB0043 [0,1,0,1,0,0|1,0,1]=4 1400 B12R1.35 C#CCCNC(=O)C1CCCC1 WXVL_AK3109SB0043 [0,1,0,1,0,0|1,0,1]=4 1401 B12R1.35 C=CCCNC(=O)C1CCCC1 WXVL_AK00138SB0043 [0,1,0,1,0,0|1,0,1]=4 1402 B12R1.35 C=CCCNC(=O)C1CCCC1 WXVL_AK00138SB0043 [0,1,0,1,0,0|1,0,1]=4 1403 B12R1.35 CCCCNC(=O)C1CCCC1 WXVL_AK00588SB0043 [0,1,0,1,0,0|1,0,0]=3 1404 B12R1.35 CCCCNC(=O)C1CCCC1 WXVL_AK00588SB0043 [0,1,0,1,0,0|1,0,0]=3 1405 B12R1.35 CCCCNC(=O)C1CCCO1 WXVL_AK00588SB1033 [0,1,0,1,0,0|1,0,0]=3 1406 B12R1.35 CCCCNC(=O)C1CCCO1 WXVL_AK00588SB1033 [0,1,0,1,0,0|1,0,0]=3 1407 B12R1.35 CCCCNC(=O)C1CCCS1 WXVL_AK00588SB0022 [0,1,0,1,0,0|1,1,0]=4 1408 B12R1.35 CCCCNC(=O)C1CCCS1 WXVL_AK00588SB0022 [0,1,0,1,0,0|1,1,0]=4 1409 B12R1.35 CCCCNC(=O)[C@H]1CCCO1 WXVL_AK00588SB00043 [0,1,0,1,0,0|1,0,0]=3 1410 B12R1.35 CCCCNC(=O)[C@H]1CCCO1 WXVL_AK00588SB00043 [0,1,0,1,0,0|1,0,0]=3 1411 B12R1.35 CSCCNC(=O)C1CCCC1 WXVL_AK00440SB0043 [0,1,0,1,0,0|1,0,0]=3 1412 B12R1.35 CSCCNC(=O)C1CCCC1 WXVL_AK00440SB0043 [0,1,0,1,0,0|1,0,0]=3 1413 B12R1.35 CSCCNC(=O)C1CCCO1 WXVL_AK00440SB1033 [0,1,0,1,0,0|2,0,0]=4 1414 B12R1.35 CSCCNC(=O)C1CCCO1 WXVL_AK00440SB1033 [0,1,0,1,0,0|2,0,0]=4 1415 B12R1.35 CSCCNC(=O)C1CCCS1 WXVL_AK00440SB0022 [0,1,0,1,0,0|2,0,0]=4 1416 B12R1.35 CSCCNC(=O)C1CCCS1 WXVL_AK00440SB0022 [0,1,0,1,0,0|2,0,0]=4 1417 B12R1.35 CSCCNC(=O)[C@H]1CCCO1 WXVL_AK00440SB00043 [0,1,0,1,0,0|2,0,0]=4 1418 B12R1.35 CSCCNC(=O)[C@H]1CCCO1 WXVL_AK00440SB00043 [0,1,0,1,0,0|2,0,0]=4 1419 B12R1.35 N#CCCNC(=O)C1CCCC1 WXVL_AK0087SB0043 [0,1,0,1,0,0|1,0,1]=4 1420 B12R1.35 N#CCCNC(=O)C1CCCC1 WXVL_AK0087SB0043 [0,1,0,1,0,0|1,0,1]=4 1421 B12R1.35 O=C(CCCCBr)N1CCCC1 WXVL_AN0008SB3153 [0,1,0,1,0,0|2,0,0]=4 1422 B12R1.35 O=C(CCCCBr)N1CCCC1 WXVL_AN0008SB3153 [0,1,0,1,0,0|2,0,0]=4 1423 B12R1.35 O=C(CCCCCl)N1CCCC1 WXVL_AN0008SB0379 [0,1,0,1,0,0|2,0,0]=4 1424 B12R1.35 O=C(CCCCCl)N1CCCC1 WXVL_AN0008SB0379 [0,1,0,1,0,0|2,0,0]=4 1425 B12R1.35 O=C(NCCCCl)N1CCCC1 WXVL_AN0008YV0130 [0,1,0,1,0,0|2,0,0]=4 1426 B12R1.35 O=C(NCCCCl)N1CCCC1 WXVL_AN0008YV0130 [0,1,0,1,0,0|2,0,0]=4 1427 B12R1.35 O=C(NCCCO)C1CCCC1 WXVL_AK0073SB0043 [0,1,0,1,0,0|1,0,0]=3 1428 B12R1.35 O=C(NCCCO)C1CCCC1 WXVL_AK0073SB0043 [0,1,0,1,0,0|1,0,0]=3 1429 B12R1.35 O=C(NCCCO)C1CCCO1 WXVL_AK0073SB1033 [0,1,0,1,0,0|2,0,0]=4 1430 B12R1.35 O=C(NCCCO)C1CCCO1 WXVL_AK0073SB1033 [0,1,0,1,0,0|2,0,0]=4 1431 B12R1.35 O=C(NCCCO)C1CCCS1 WXVL_AK0073SB0022 [0,1,0,1,0,0|2,0,0]=4 1432 B12R1.35 O=C(NCCCO)C1CCCS1 WXVL_AK0073SB0022 [0,1,0,1,0,0|2,0,0]=4 1433 B12R1.35 O=C(NCCCO)[C@H]1CCCO1 WXVL_AK0073SB00043 [0,1,0,1,0,0|2,0,0]=4 1434 B12R1.35 O=C(NCCCO)[C@H]1CCCO1 WXVL_AK0073SB00043 [0,1,0,1,0,0|2,0,0]=4 1435 B12R1.483 C#CCCNC(=O)CC1CCC1 WXVL_AK3109SB2207 [0,1,0,1,0,0|1,0,1]=4 1436 B12R1.483 C#CCCNC(=O)CC1CCC1 WXVL_AK3109SB2207 [0,1,0,1,0,0|1,0,1]=4 1437 B12R1.483 C=CCCNC(=O)CC1CCC1 WXVL_AK00138SB2207 [0,1,0,1,0,0|1,0,1]=4 1438 B12R1.483 C=CCCNC(=O)CC1CCC1 WXVL_AK00138SB2207 [0,1,0,1,0,0|1,0,1]=4 1439 B12R1.483 CCCCNC(=O)CC1CCC1 WXVL_AK00588SB2207 [0,1,0,1,0,0|1,0,0]=3 1440 B12R1.483 CCCCNC(=O)CC1CCC1 WXVL_AK00588SB2207 [0,1,0,1,0,0|1,0,0]=3 1441 B12R1.483 CSCCNC(=O)CC1CCC1 WXVL_AK00440SB2207 [0,1,0,1,0,0|1,0,0]=3 1442 B12R1.483 CSCCNC(=O)CC1CCC1 WXVL_AK00440SB2207 [0,1,0,1,0,0|1,0,0]=3 1443 B12R1.483 N#CCCNC(=O)CC1CCC1 WXVL_AK0087SB2207 [0,1,0,1,0,0|1,0,1]=4 1444 B12R1.483 N#CCCNC(=O)CC1CCC1 WXVL_AK0087SB2207 [0,1,0,1,0,0|1,0,1]=4 1445 B12R1.483 O=C(CC1CCC1)NCCCO WXVL_AK0073SB2207 [0,1,0,1,0,0|1,0,0]=3 1446 B12R1.483 O=C(CC1CCC1)NCCCO WXVL_AK0073SB2207 [0,1,0,1,0,0|1,0,0]=3 1447 B12R1.483 O=C(CCCCBr)NC1CNC1 WXVL_AK1291SB3153 [0,1,0,1,0,0|2,0,0]=4 1448 B12R1.483 O=C(CCCCBr)NC1CNC1 WXVL_AK1291SB3153 [0,1,0,1,0,0|2,0,0]=4 1449 B12R1.483 O=C(CCCCBr)NC1CSC1 WXVL_AK2089SB3153 [0,1,0,1,0,0|2,0,0]=4 1450 B12R1.483 O=C(CCCCBr)NC1CSC1 WXVL_AK2089SB3153 [0,1,0,1,0,0|2,0,0]=4 1451 B12R1.483 O=C(CCCCCl)NC1CNC1 WXVL_AK1291SB0379 [0,1,0,1,0,0|2,0,0]=4 1452 B12R1.483 O=C(CCCCCl)NC1CNC1 WXVL_AK1291SB0379 [0,1,0,1,0,0|2,0,0]=4 1453 B12R1.483 O=C(CCCCCl)NC1CSC1 WXVL_AK2089SB0379 [0,1,0,1,0,0|2,0,0]=4 1454 B12R1.483 O=C(CCCCCl)NC1CSC1 WXVL_AK2089SB0379 [0,1,0,1,0,0|2,0,0]=4 1455 B12R1.1238 CC(C)CCNC(=O)C1CC1C WXVL_AK0068SB0041 [0,1,0,1,0,0|2,0,0]=4 1456 B12R1.1238 CC(C)CCNC(=O)C1CC1C WXVL_AK0068SB0041 [0,1,0,1,0,0|2,0,0]=4 1457 B12R1.1357 CC(C)CCNC(=O)C1CCC1 WXVL_AK0068SB0042 [0,1,0,1,0,0|2,0,0]=4 1458 B12R1.1357 CC(C)CCNC(=O)C1CCC1 WXVL_AK0068SB0042 [0,1,0,1,0,0|2,0,0]=4 1459 B12R1.1359 CC(C)CCCC(=O)NC1CC1 WXVL_AK0001SB1301 [0,1,0,1,0,0|1,0,0]=3 1460 B12R1.1359 CC(C)CCCC(=O)NC1CC1 WXVL_AK0001SB1301 [0,1,0,1,0,0|1,0,0]=3 1461 B12R1.1359 CC(C)CCNC(=O)CC1CC1 WXVL_AK0068SB0155 [0,1,0,1,0,0|2,0,0]=4 1462 B12R1.1359 CC(C)CCNC(=O)CC1CC1 WXVL_AK0068SB0155 [0,1,0,1,0,0|2,0,0]=4 1463 B12R1.1359 CN(C)CCCC(=O)NC1CC1 WXVL_AK0001SB00055 [0,1,0,1,0,0|2,0,0]=4 1464 B12R1.1359 CN(C)CCCC(=O)NC1CC1 WXVL_AK0001SB00055 [0,1,0,1,0,0|2,0,0]=4 1465 B12R1.15 CCC(C)CC(=O)N1CCCC1 WXVL_AN0008SB0353 [0,1,0,1,0,0|2,0,0]=4 1466 B12R1.15 CCC(C)CC(=O)N1CCCC1 WXVL_AN0008SB0353 [0,1,0,1,0,0|2,0,0]=4 1467 B12R1.15 CCC(O)CC(=O)N1CCCC1 WXVL_AN0008SB4092 [0,1,0,1,0,0|2,0,0]=4 1468 B12R1.15 CCC(O)CC(=O)N1CCCC1 WXVL_AN0008SB4092 [0,1,0,1,0,0|2,0,0]=4 1469 B12R1.15 CC[C@@H](C)CC(=O)N1CCCC1 WXVL_AN0008SB8650 [0,1,0,1,0,0|2,0,0]=4 1470 B12R1.15 CC[C@@H](C)CC(=O)N1CCCC1 WXVL_AN0008SB8650 [0,1,0,1,0,0|2,0,0]=4 1471 B12R1.15 CC[C@H](C)NC(=O)C1CCCC1 WXVL_AK00678SB0043 [0,1,0,1,0,0|1,0,0]=3 1472 B12R1.15 CC[C@H](C)NC(=O)C1CCCC1 WXVL_AK00678SB0043 [0,1,0,1,0,0|1,0,0]=3 1473 B12R1.15 CC[C@H](C)NC(=O)C1CCCO1 WXVL_AK00678SB1033 [0,1,0,1,0,0|2,0,0]=4 1474 B12R1.15 CC[C@H](C)NC(=O)C1CCCO1 WXVL_AK00678SB1033 [0,1,0,1,0,0|2,0,0]=4 1475 B12R1.15 CC[C@H](C)NC(=O)C1CCCS1 WXVL_AK00678SB0022 [0,1,0,1,0,0|2,0,0]=4 1476 B12R1.15 CC[C@H](C)NC(=O)C1CCCS1 WXVL_AK00678SB0022 [0,1,0,1,0,0|2,0,0]=4 1477 B12R1.15 CC[C@H](C)NC(=O)[C@H]1CCCO1 WXVL_AK00678SB00043 [0,1,0,1,0,0|2,0,0]=4 1478 B12R1.15 CC[C@H](C)NC(=O)[C@H]1CCCO1 WXVL_AK00678SB00043 [0,1,0,1,0,0|2,0,0]=4 1479 B12R1.15 C[C@@H](CF)NC(=O)C1CCCC1 WXVL_AK00558SB0043 [0,1,0,1,0,0|2,0,0]=4 1480 B12R1.15 C[C@@H](CF)NC(=O)C1CCCC1 WXVL_AK00558SB0043 [0,1,0,1,0,0|2,0,0]=4 1481 B12R1.15 C[C@@H](CO)NC(=O)C1CCCC1 WXVL_AK0109SB0043 [0,1,0,1,0,0|2,0,0]=4 1482 B12R1.15 C[C@@H](CO)NC(=O)C1CCCC1 WXVL_AK0109SB0043 [0,1,0,1,0,0|2,0,0]=4 1483 B12R1.304 CC[C@H](C)NC(=O)CC1CCC1 WXVL_AK00678SB2207 [0,1,0,1,0,0|1,0,0]=3 1484 B12R1.304 CC[C@H](C)NC(=O)CC1CCC1 WXVL_AK00678SB2207 [0,1,0,1,0,0|1,0,0]=3 1485 B12R1.304 C[C@@H](CF)NC(=O)CC1CCC1 WXVL_AK00558SB2207 [0,1,0,1,0,0|2,0,0]=4 1486 B12R1.304 C[C@@H](CF)NC(=O)CC1CCC1 WXVL_AK00558SB2207 [0,1,0,1,0,0|2,0,0]=4 1487 B12R1.304 C[C@@H](CO)NC(=O)CC1CCC1 WXVL_AK0109SB2207 [0,1,0,1,0,0|2,0,0]=4 1488 B12R1.304 C[C@@H](CO)NC(=O)CC1CCC1 WXVL_AK0109SB2207 [0,1,0,1,0,0|2,0,0]=4 1489 B12R1.305 CC[C@H](C)NC(=O)CCC1CC1 WXVL_AK00678SB5360 [0,1,0,1,0,0|1,0,0]=3 1490 B12R1.305 CC[C@H](C)NC(=O)CCC1CC1 WXVL_AK00678SB5360 [0,1,0,1,0,0|1,0,0]=3 1491 B12R1.305 C[C@@H](CF)NC(=O)CCC1CC1 WXVL_AK00558SB5360 [0,1,0,1,0,0|2,0,0]=4 1492 B12R1.305 C[C@@H](CF)NC(=O)CCC1CC1 WXVL_AK00558SB5360 [0,1,0,1,0,0|2,0,0]=4 1493 B12R1.305 C[C@@H](CO)NC(=O)CCC1CC1 WXVL_AK0109SB5360 [0,1,0,1,0,0|2,0,0]=4 1494 B12R1.305 C[C@@H](CO)NC(=O)CCC1CC1 WXVL_AK0109SB5360 [0,1,0,1,0,0|2,0,0]=4 1495 B12R1.900 CC1(CC1)NC(=O)CCCCBr WXVL_AK0263SB3153 [0,1,0,1,0,0|2,0,0]=4 1496 B12R1.900 CC1(CC1)NC(=O)CCCCBr WXVL_AK0263SB3153 [0,1,0,1,0,0|2,0,0]=4 1497 B12R1.900 CC1(CC1)NC(=O)CCCCCl WXVL_AK0263SB0379 [0,1,0,1,0,0|2,0,0]=4 1498 B12R1.900 CC1(CC1)NC(=O)CCCCCl WXVL_AK0263SB0379 [0,1,0,1,0,0|2,0,0]=4 1499 B12R1.55 CCCC(C)C(=O)N1CCCC1 WXVL_AN0008SB0352 [0,1,0,1,0,0|2,0,0]=4 1500 B12R1.55 CCCC(C)C(=O)N1CCCC1 WXVL_AN0008SB0352 [0,1,0,1,0,0|2,0,0]=4 1501 B12R1.55 CCC[C@H](O)C(=O)N1CCCC1 WXVL_AN0008SB3627 [0,1,0,1,0,0|2,0,0]=4 1502 B12R1.55 CCC[C@H](O)C(=O)N1CCCC1 WXVL_AN0008SB3627 [0,1,0,1,0,0|2,0,0]=4 1503 B12R1.55 CN(CCO)C(=O)C1CCCC1 WXVL_AN2670SB0043 [0,1,0,1,0,0|2,0,0]=4 1504 B12R1.55 CN(CCO)C(=O)C1CCCC1 WXVL_AN2670SB0043 [0,1,0,1,0,0|2,0,0]=4 1505 B12R1.555 CN(CCO)C(=O)CC1CCC1 WXVL_AN2670SB2207 [0,1,0,1,0,0|2,0,0]=4 1506 B12R1.555 CN(CCO)C(=O)CC1CCC1 WXVL_AN2670SB2207 [0,1,0,1,0,0|2,0,0]=4 1507 B12R1.556 CN(CCO)C(=O)CCC1CC1 WXVL_AN2670SB5360 [0,1,0,1,0,0|2,0,0]=4 1508 B12R1.556 CN(CCO)C(=O)CCC1CC1 WXVL_AN2670SB5360 [0,1,0,1,0,0|2,0,0]=4 1509 B12R1.689 CCCCNC(=O)C(=O)C1CC1 WXVL_AK00588SB3659 [0,1,0,1,0,0|2,0,0]=4 1510 B12R1.689 CCCCNC(=O)C(=O)C1CC1 WXVL_AK00588SB3659 [0,1,0,1,0,0|2,0,0]=4 1511 B12R1.689 CN(C(=O)CCCCBr)C1CC1 WXVL_AN0276SB3153 [0,1,0,1,0,0|2,0,0]=4 1512 B12R1.689 CN(C(=O)CCCCBr)C1CC1 WXVL_AN0276SB3153 [0,1,0,1,0,0|2,0,0]=4 1513 B12R1.689 CN(C(=O)CCCCCl)C1CC1 WXVL_AN0276SB0379 [0,1,0,1,0,0|2,0,0]=4 1514 B12R1.689 CN(C(=O)CCCCCl)C1CC1 WXVL_AN0276SB0379 [0,1,0,1,0,0|2,0,0]=4 1515 B12R1.2133 CCCCNC(=O)C1(CCC1)Br WXVL_AK00588SB0465 [0,1,0,1,0,0|2,0,0]=4 1516 B12R1.2133 CCCCNC(=O)C1(CCC1)Br WXVL_AK00588SB0465 [0,1,0,1,0,0|2,0,0]=4 1517 B12R1.2133 CCCCNC(=O)C1(CCC1)C WXVL_AK00588SB0805 [0,1,0,1,0,0|2,0,0]=4 1518 B12R1.2133 CCCCNC(=O)C1(CCC1)C WXVL_AK00588SB0805 [0,1,0,1,0,0|2,0,0]=4 1519 B12R1.2133 CCCCNC(=O)C1(CCC1)F WXVL_AK00588SB0033 [0,1,0,1,0,0|2,0,0]=4 1520 B12R1.2133 CCCCNC(=O)C1(CCC1)F WXVL_AK00588SB0033 [0,1,0,1,0,0|2,0,0]=4 1521 B12R1.832 CCCNS(=O)(=O)CC1CCC1 WXVL_AK00504HU0422 [0,1,0,1,0,0|2,0,0]=4 1522 B12R1.832 CCCNS(=O)(=O)CC1CCC1 WXVL_AK00504HU0422 [0,1,0,1,0,0|2,0,0]=4 1523 B12R2.102 CC1CC1C(=O)N2CCCC2 WXVL_AN0008SB0041 [0,0,0,2,0,0|2,0,0]=4 1524 B12R2.102 CC1CC1C(=O)N2CCCC2 WXVL_AN0008SB0041 [0,0,0,2,0,0|2,0,0]=4 1525 B12R2.2074 O=C(CC1CC1)N2CCCC2 WXVL_AN0008SB0155 [0,0,0,2,0,0|2,0,0]=4 1526 B12R2.2074 O=C(CC1CC1)N2CCCC2 WXVL_AN0008SB0155 [0,0,0,2,0,0|2,0,0]=4 1527 B12R2.2074 O=C(NC1CC1)C2CCCC2 WXVL_AK0001SB0043 [0,0,0,2,0,0|1,0,0]=3 1528 B12R2.2074 O=C(NC1CC1)C2CCCC2 WXVL_AK0001SB0043 [0,0,0,2,0,0|1,0,0]=3 1529 B12R2.2074 O=C(NC1CC1)C2CCCO2 WXVL_AK0001SB1033 [0,0,0,2,0,0|2,0,0]=4 1530 B12R2.2074 O=C(NC1CC1)C2CCCO2 WXVL_AK0001SB1033 [0,0,0,2,0,0|2,0,0]=4 1531 B12R2.2074 O=C(NC1CC1)C2CCCS2 WXVL_AK0001SB0022 [0,0,0,2,0,0|2,0,0]=4 1532 B12R2.2074 O=C(NC1CC1)C2CCCS2 WXVL_AK0001SB0022 [0,0,0,2,0,0|2,0,0]=4 1533 B12R2.2074 O=C(NC1CC1)[C@H]2CCCO2 WXVL_AK0001SB00043 [0,0,0,2,0,0|2,0,0]=4 1534 B12R2.2074 O=C(NC1CC1)[C@H]2CCCO2 WXVL_AK0001SB00043 [0,0,0,2,0,0|2,0,0]=4 1535 B12R2.3797 O=C(C1CCC1)N2CCCC2 WXVL_AN0008SB0042 [0,0,0,2,0,0|2,0,0]=4 1536 B12R2.3797 O=C(C1CCC1)N2CCCC2 WXVL_AN0008SB0042 [0,0,0,2,0,0|2,0,0]=4 1537 B12R2.3283 O=C(CC1CCC1)NC2CC2 WXVL_AK0001SB2207 [0,0,0,2,0,0|1,0,0]=3 1538 B12R2.3283 O=C(CC1CCC1)NC2CC2 WXVL_AK0001SB2207 [0,0,0,2,0,0|1,0,0]=3 1539 B12R2.3288 O=C(CCC1CC1)NC2CC2 WXVL_AK0001SB5360 [0,0,0,2,0,0|1,0,0]=3 1540 B12R2.3288 O=C(CCC1CC1)NC2CC2 WXVL_AK0001SB5360 [0,0,0,2,0,0|1,0,0]=3