0 B10R0.1 C#CCC(=O)NCCCCC WXVL_AK0076SB3070 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.1 C#CCC(=O)NCCCCC WXVL_AK0076SB3070 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.1 C#CCC(=O)NCCCCO WXVL_AK0075SB3070 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.1 C#CCC(=O)NCCCCO WXVL_AK0075SB3070 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.1 C#CCC(=O)NCCCOC WXVL_AK00637SB3070 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.1 C#CCC(=O)NCCCOC WXVL_AK00637SB3070 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.1 C#CCC(=O)NCCCSC WXVL_AK0965SB3070 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.1 C#CCC(=O)NCCCSC WXVL_AK0965SB3070 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.1 C#CCC(=O)NCCSCC WXVL_AK00494SB3070 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.1 C#CCC(=O)NCCSCC WXVL_AK00494SB3070 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.1 C#CCCCNC(=O)CCC WXVL_AK00218SB0073 [0,0,0,0,0,0|1,0,2]=3 11 B10R0.1 C#CCCCNC(=O)CCC WXVL_AK00218SB0073 [0,0,0,0,0,0|1,0,2]=3 12 B10R0.1 C#CCCCNC(=O)COC WXVL_AK00218SB0090 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.1 C#CCCCNC(=O)COC WXVL_AK00218SB0090 [0,0,0,0,0,0|2,0,2]=4 14 B10R0.1 C#CCCCNC(=O)CSC WXVL_AK00218SB1267 [0,0,0,0,0,0|2,0,2]=4 15 B10R0.1 C#CCCCNC(=O)CSC WXVL_AK00218SB1267 [0,0,0,0,0,0|2,0,2]=4 16 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [0,0,0,0,0,0|1,0,2]=3 17 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [0,0,0,0,0,0|1,0,2]=3 18 B10R0.1 C/C=C/C(=O)NCCCCO WXVL_AK0075SB0340 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.1 C/C=C/C(=O)NCCCCO WXVL_AK0075SB0340 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.1 C/C=C/C(=O)NCCCOC WXVL_AK00637SB0340 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.1 C/C=C/C(=O)NCCCOC WXVL_AK00637SB0340 [0,0,0,0,0,0|2,0,2]=4 22 B10R0.1 C/C=C/C(=O)NCCCSC WXVL_AK0965SB0340 [0,0,0,0,0,0|2,0,2]=4 23 B10R0.1 C/C=C/C(=O)NCCCSC WXVL_AK0965SB0340 [0,0,0,0,0,0|2,0,2]=4 24 B10R0.1 C/C=C/C(=O)NCCSCC WXVL_AK00494SB0340 [0,0,0,0,0,0|2,0,2]=4 25 B10R0.1 C/C=C/C(=O)NCCSCC WXVL_AK00494SB0340 [0,0,0,0,0,0|2,0,2]=4 26 B10R0.1 C=CCC(=O)NCCCCC WXVL_AK0076SB2732 [0,0,0,0,0,0|1,0,2]=3 27 B10R0.1 C=CCC(=O)NCCCCC WXVL_AK0076SB2732 [0,0,0,0,0,0|1,0,2]=3 28 B10R0.1 C=CCC(=O)NCCCCO WXVL_AK0075SB2732 [0,0,0,0,0,0|2,0,2]=4 29 B10R0.1 C=CCC(=O)NCCCCO WXVL_AK0075SB2732 [0,0,0,0,0,0|2,0,2]=4 30 B10R0.1 C=CCC(=O)NCCCOC WXVL_AK00637SB2732 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.1 C=CCC(=O)NCCCOC WXVL_AK00637SB2732 [0,0,0,0,0,0|2,0,2]=4 32 B10R0.1 C=CCC(=O)NCCCSC WXVL_AK0965SB2732 [0,0,0,0,0,0|2,0,2]=4 33 B10R0.1 C=CCC(=O)NCCCSC WXVL_AK0965SB2732 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.1 C=CCC(=O)NCCSCC WXVL_AK00494SB2732 [0,0,0,0,0,0|2,0,2]=4 35 B10R0.1 C=CCC(=O)NCCSCC WXVL_AK00494SB2732 [0,0,0,0,0,0|2,0,2]=4 36 B10R0.1 CC#CC(=O)NCCCCC WXVL_AK0076SB1240 [0,0,0,0,0,0|1,0,2]=3 37 B10R0.1 CC#CC(=O)NCCCCC WXVL_AK0076SB1240 [0,0,0,0,0,0|1,0,2]=3 38 B10R0.1 CC#CC(=O)NCCCCO WXVL_AK0075SB1240 [0,0,0,0,0,0|2,0,2]=4 39 B10R0.1 CC#CC(=O)NCCCCO WXVL_AK0075SB1240 [0,0,0,0,0,0|2,0,2]=4 40 B10R0.1 CC#CC(=O)NCCCOC WXVL_AK00637SB1240 [0,0,0,0,0,0|2,0,2]=4 41 B10R0.1 CC#CC(=O)NCCCOC WXVL_AK00637SB1240 [0,0,0,0,0,0|2,0,2]=4 42 B10R0.1 CC#CC(=O)NCCCSC WXVL_AK0965SB1240 [0,0,0,0,0,0|2,0,2]=4 43 B10R0.1 CC#CC(=O)NCCCSC WXVL_AK0965SB1240 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.1 CC#CC(=O)NCCSCC WXVL_AK00494SB1240 [0,0,0,0,0,0|2,0,2]=4 45 B10R0.1 CC#CC(=O)NCCSCC WXVL_AK00494SB1240 [0,0,0,0,0,0|2,0,2]=4 46 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [0,0,0,0,0,0|2,0,0]=2 47 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [0,0,0,0,0,0|2,0,0]=2 48 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [0,0,0,0,0,0|2,0,0]=2 49 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [0,0,0,0,0,0|2,0,0]=2 50 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [0,0,0,0,0,0|2,0,0]=2 51 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [0,0,0,0,0,0|2,0,0]=2 52 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [0,0,0,0,0,0|2,0,0]=2 53 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [0,0,0,0,0,0|2,0,0]=2 54 B10R0.1 CCCCCNC(=O)CC#N WXVL_AK0076SB0057 [0,0,0,0,0,0|2,0,1]=3 55 B10R0.1 CCCCCNC(=O)CC#N WXVL_AK0076SB0057 [0,0,0,0,0,0|2,0,1]=3 56 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,0,0,0,0,0|1,0,0]=1 57 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,0,0,0,0,0|1,0,0]=1 58 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [0,0,0,0,0,0|2,0,0]=2 59 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [0,0,0,0,0,0|2,0,0]=2 60 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [0,0,0,0,0,0|2,0,0]=2 61 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [0,0,0,0,0,0|2,0,0]=2 62 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,0,0,0,0,0|3,0,0]=3 63 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,0,0,0,0,0|3,0,0]=3 64 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,0,0,0,0,0|3,0,0]=3 65 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,0,0,0,0,0|3,0,0]=3 66 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [0,0,0,0,0,0|4,0,0]=4 67 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [0,0,0,0,0,0|4,0,0]=4 68 B10R0.1 CCSCCNC(=O)CC#N WXVL_AK00494SB0057 [0,0,0,0,0,0|3,0,1]=4 69 B10R0.1 CCSCCNC(=O)CC#N WXVL_AK00494SB0057 [0,0,0,0,0,0|3,0,1]=4 70 B10R0.1 CCSCCNC(=O)COC WXVL_AK00494SB0090 [0,0,0,0,0,0|3,0,0]=3 71 B10R0.1 CCSCCNC(=O)COC WXVL_AK00494SB0090 [0,0,0,0,0,0|3,0,0]=3 72 B10R0.1 CCSCCNC(=O)CSC WXVL_AK00494SB1267 [0,0,0,0,0,0|3,0,0]=3 73 B10R0.1 CCSCCNC(=O)CSC WXVL_AK00494SB1267 [0,0,0,0,0,0|3,0,0]=3 74 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [0,0,0,0,0,0|3,0,0]=3 75 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [0,0,0,0,0,0|3,0,0]=3 76 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [0,0,0,0,0,0|3,0,0]=3 77 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [0,0,0,0,0,0|3,0,0]=3 78 B10R0.1 COCCCNC(=O)CC#N WXVL_AK00637SB0057 [0,0,0,0,0,0|3,0,1]=4 79 B10R0.1 COCCCNC(=O)CC#N WXVL_AK00637SB0057 [0,0,0,0,0,0|3,0,1]=4 80 B10R0.1 COCCCNC(=O)COC WXVL_AK00637SB0090 [0,0,0,0,0,0|3,0,0]=3 81 B10R0.1 COCCCNC(=O)COC WXVL_AK00637SB0090 [0,0,0,0,0,0|3,0,0]=3 82 B10R0.1 COCCCNC(=O)CSC WXVL_AK00637SB1267 [0,0,0,0,0,0|3,0,0]=3 83 B10R0.1 COCCCNC(=O)CSC WXVL_AK00637SB1267 [0,0,0,0,0,0|3,0,0]=3 84 B10R0.1 CSCC(=O)NCCCCO WXVL_AK0075SB1267 [0,0,0,0,0,0|3,0,0]=3 85 B10R0.1 CSCC(=O)NCCCCO WXVL_AK0075SB1267 [0,0,0,0,0,0|3,0,0]=3 86 B10R0.1 CSCCCNC(=O)CC#N WXVL_AK0965SB0057 [0,0,0,0,0,0|3,0,1]=4 87 B10R0.1 CSCCCNC(=O)CC#N WXVL_AK0965SB0057 [0,0,0,0,0,0|3,0,1]=4 88 B10R0.1 CSCCCNC(=O)CSC WXVL_AK0965SB1267 [0,0,0,0,0,0|3,0,0]=3 89 B10R0.1 CSCCCNC(=O)CSC WXVL_AK0965SB1267 [0,0,0,0,0,0|3,0,0]=3 90 B10R0.1 N#CCC(=O)NCCCCO WXVL_AK0075SB0057 [0,0,0,0,0,0|3,0,1]=4 91 B10R0.1 N#CCC(=O)NCCCCO WXVL_AK0075SB0057 [0,0,0,0,0,0|3,0,1]=4 92 B9R0.5 C#CCC(=O)NCCCC WXVL_AK00588SB3070 [1,0,0,0,0,0|1,0,2]=4 93 B9R0.5 C#CCC(=O)NCCCC WXVL_AK00588SB3070 [1,0,0,0,0,0|1,0,2]=4 94 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [1,0,0,0,0,0|1,0,2]=4 95 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [1,0,0,0,0,0|1,0,2]=4 96 B9R0.5 C#CCCNC(=O)CCC WXVL_AK3109SB0073 [1,0,0,0,0,0|1,0,2]=4 97 B9R0.5 C#CCCNC(=O)CCC WXVL_AK3109SB0073 [1,0,0,0,0,0|1,0,2]=4 98 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [1,0,0,0,0,0|1,0,2]=4 99 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [1,0,0,0,0,0|1,0,2]=4 100 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [1,0,0,0,0,0|1,0,2]=4 101 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [1,0,0,0,0,0|1,0,2]=4 102 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [1,0,0,0,0,0|1,0,2]=4 103 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [1,0,0,0,0,0|1,0,2]=4 104 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [1,0,0,0,0,0|1,0,2]=4 105 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [1,0,0,0,0,0|1,0,2]=4 106 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [1,0,0,0,0,0|1,0,2]=4 107 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [1,0,0,0,0,0|1,0,2]=4 108 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [1,0,0,0,0,0|1,0,2]=4 109 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [1,0,0,0,0,0|1,0,2]=4 110 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [1,0,0,0,0,0|2,0,1]=4 111 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [1,0,0,0,0,0|2,0,1]=4 112 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [1,0,0,0,0,0|2,0,0]=3 113 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [1,0,0,0,0,0|2,0,0]=3 114 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [1,0,0,0,0,0|2,0,0]=3 115 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [1,0,0,0,0,0|2,0,0]=3 116 B9R0.5 CCCCNC(=O)CC#N WXVL_AK00588SB0057 [1,0,0,0,0,0|2,0,1]=4 117 B9R0.5 CCCCNC(=O)CC#N WXVL_AK00588SB0057 [1,0,0,0,0,0|2,0,1]=4 118 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [1,0,0,0,0,0|1,0,0]=2 119 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [1,0,0,0,0,0|1,0,0]=2 120 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [1,0,0,0,0,0|2,0,0]=3 121 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [1,0,0,0,0,0|2,0,0]=3 122 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [1,0,0,0,0,0|2,0,0]=3 123 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [1,0,0,0,0,0|2,0,0]=3 124 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [1,0,0,0,0,0|2,0,0]=3 125 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [1,0,0,0,0,0|2,0,0]=3 126 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [1,0,0,0,0,0|2,0,0]=3 127 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [1,0,0,0,0,0|2,0,0]=3 128 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [1,0,0,0,0,0|3,0,0]=4 129 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [1,0,0,0,0,0|3,0,0]=4 130 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [1,0,0,0,0,0|3,0,0]=4 131 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [1,0,0,0,0,0|3,0,0]=4 132 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [1,0,0,0,0,0|3,0,0]=4 133 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [1,0,0,0,0,0|3,0,0]=4 134 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [1,0,0,0,0,0|3,0,0]=4 135 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [1,0,0,0,0,0|3,0,0]=4 136 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [1,0,0,0,0,0|3,0,0]=4 137 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [1,0,0,0,0,0|3,0,0]=4 138 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [1,0,0,0,0,0|1,0,2]=4 139 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [1,0,0,0,0,0|1,0,2]=4 140 B9R0.46 C#CCCCNC(=O)CC WXVL_AK00218SB0064 [1,0,0,0,0,0|1,0,2]=4 141 B9R0.46 C#CCCCNC(=O)CC WXVL_AK00218SB0064 [1,0,0,0,0,0|1,0,2]=4 142 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [1,0,0,0,0,0|2,0,0]=3 143 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [1,0,0,0,0,0|2,0,0]=3 144 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [1,0,0,0,0,0|2,0,0]=3 145 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [1,0,0,0,0,0|2,0,0]=3 146 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [1,0,0,0,0,0|2,0,0]=3 147 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [1,0,0,0,0,0|2,0,0]=3 148 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [1,0,0,0,0,0|1,0,0]=2 149 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [1,0,0,0,0,0|1,0,0]=2 150 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [1,0,0,0,0,0|2,0,0]=3 151 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [1,0,0,0,0,0|2,0,0]=3 152 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [1,0,0,0,0,0|2,0,0]=3 153 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [1,0,0,0,0,0|2,0,0]=3 154 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [1,0,0,0,0,0|3,0,0]=4 155 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [1,0,0,0,0,0|3,0,0]=4 156 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [1,0,0,0,0,0|3,0,0]=4 157 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [1,0,0,0,0,0|3,0,0]=4 158 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [1,0,0,0,0,0|3,0,0]=4 159 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [1,0,0,0,0,0|3,0,0]=4 160 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [1,0,0,0,0,0|3,0,0]=4 161 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [1,0,0,0,0,0|3,0,0]=4 162 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [1,0,0,0,0,0|3,0,0]=4 163 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [1,0,0,0,0,0|3,0,0]=4 164 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [1,0,0,0,0,0|3,0,0]=4 165 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [1,0,0,0,0,0|3,0,0]=4 166 B11R0.2 C#CCCCNC(=O)CC(C)C WXVL_AK00218SB0063 [0,1,0,0,0,0|1,0,2]=4 167 B11R0.2 C#CCCCNC(=O)CC(C)C WXVL_AK00218SB0063 [0,1,0,0,0,0|1,0,2]=4 168 B11R0.2 C#CCCCNC(=O)CC(C)O WXVL_AK00218SB3643 [0,1,0,0,0,0|1,0,2]=4 169 B11R0.2 C#CCCCNC(=O)CC(C)O WXVL_AK00218SB3643 [0,1,0,0,0,0|1,0,2]=4 170 B11R0.2 CC(C)CC(=O)NCCCCO WXVL_AK0075SB0063 [0,1,0,0,0,0|2,0,0]=3 171 B11R0.2 CC(C)CC(=O)NCCCCO WXVL_AK0075SB0063 [0,1,0,0,0,0|2,0,0]=3 172 B11R0.2 CC(C)NC(=O)CCCCCBr WXVL_AK0030SB2192 [0,1,0,0,0,0|3,0,0]=4 173 B11R0.2 CC(C)NC(=O)CCCCCBr WXVL_AK0030SB2192 [0,1,0,0,0,0|3,0,0]=4 174 B11R0.2 CC(C)NC(=O)CCCCCO WXVL_AK0030SB2973 [0,1,0,0,0,0|3,0,0]=4 175 B11R0.2 CC(C)NC(=O)CCCCCO WXVL_AK0030SB2973 [0,1,0,0,0,0|3,0,0]=4 176 B11R0.2 CC(O)CC(=O)NCCCCO WXVL_AK0075SB3643 [0,1,0,0,0,0|2,0,0]=3 177 B11R0.2 CC(O)CC(=O)NCCCCO WXVL_AK0075SB3643 [0,1,0,0,0,0|2,0,0]=3 178 B11R0.2 CCCCCNC(=O)C=C(C)C WXVL_AK0076SB0342 [0,1,0,0,0,0|1,0,2]=4 179 B11R0.2 CCCCCNC(=O)C=C(C)C WXVL_AK0076SB0342 [0,1,0,0,0,0|1,0,2]=4 180 B11R0.2 CCCCCNC(=O)CC(C)C WXVL_AK0076SB0063 [0,1,0,0,0,0|1,0,0]=2 181 B11R0.2 CCCCCNC(=O)CC(C)C WXVL_AK0076SB0063 [0,1,0,0,0,0|1,0,0]=2 182 B11R0.2 CCCCCNC(=O)CC(C)O WXVL_AK0076SB3643 [0,1,0,0,0,0|1,0,0]=2 183 B11R0.2 CCCCCNC(=O)CC(C)O WXVL_AK0076SB3643 [0,1,0,0,0,0|1,0,0]=2 184 B11R0.2 CCCCCNC(=O)CN(C)C WXVL_AK0076SB0085 [0,1,0,0,0,0|2,0,0]=3 185 B11R0.2 CCCCCNC(=O)CN(C)C WXVL_AK0076SB0085 [0,1,0,0,0,0|2,0,0]=3 186 B11R0.2 CCSCCNC(=O)CC(C)C WXVL_AK00494SB0063 [0,1,0,0,0,0|2,0,0]=3 187 B11R0.2 CCSCCNC(=O)CC(C)C WXVL_AK00494SB0063 [0,1,0,0,0,0|2,0,0]=3 188 B11R0.2 CCSCCNC(=O)CC(C)O WXVL_AK00494SB3643 [0,1,0,0,0,0|2,0,0]=3 189 B11R0.2 CCSCCNC(=O)CC(C)O WXVL_AK00494SB3643 [0,1,0,0,0,0|2,0,0]=3 190 B11R0.2 CCSCCNC(=O)CN(C)C WXVL_AK00494SB0085 [0,1,0,0,0,0|3,0,0]=4 191 B11R0.2 CCSCCNC(=O)CN(C)C WXVL_AK00494SB0085 [0,1,0,0,0,0|3,0,0]=4 192 B11R0.2 CN(C)CC(=O)NCCCCO WXVL_AK0075SB0085 [0,1,0,0,0,0|3,0,0]=4 193 B11R0.2 CN(C)CC(=O)NCCCCO WXVL_AK0075SB0085 [0,1,0,0,0,0|3,0,0]=4 194 B11R0.2 COCCCNC(=O)CC(C)C WXVL_AK00637SB0063 [0,1,0,0,0,0|2,0,0]=3 195 B11R0.2 COCCCNC(=O)CC(C)C WXVL_AK00637SB0063 [0,1,0,0,0,0|2,0,0]=3 196 B11R0.2 COCCCNC(=O)CC(C)O WXVL_AK00637SB3643 [0,1,0,0,0,0|2,0,0]=3 197 B11R0.2 COCCCNC(=O)CC(C)O WXVL_AK00637SB3643 [0,1,0,0,0,0|2,0,0]=3 198 B11R0.2 COCCCNC(=O)CN(C)C WXVL_AK00637SB0085 [0,1,0,0,0,0|3,0,0]=4 199 B11R0.2 COCCCNC(=O)CN(C)C WXVL_AK00637SB0085 [0,1,0,0,0,0|3,0,0]=4 200 B11R0.2 CSCCCNC(=O)CC(C)C WXVL_AK0965SB0063 [0,1,0,0,0,0|2,0,0]=3 201 B11R0.2 CSCCCNC(=O)CC(C)C WXVL_AK0965SB0063 [0,1,0,0,0,0|2,0,0]=3 202 B11R0.2 CSCCCNC(=O)CC(C)O WXVL_AK0965SB3643 [0,1,0,0,0,0|2,0,0]=3 203 B11R0.2 CSCCCNC(=O)CC(C)O WXVL_AK0965SB3643 [0,1,0,0,0,0|2,0,0]=3 204 B11R0.2 CSCCCNC(=O)CN(C)C WXVL_AK0965SB0085 [0,1,0,0,0,0|3,0,0]=4 205 B11R0.2 CSCCCNC(=O)CN(C)C WXVL_AK0965SB0085 [0,1,0,0,0,0|3,0,0]=4 206 B11R0.4 C#CCC(=O)NCCCCCC WXVL_AK0286SB3070 [0,1,0,0,0,0|1,0,2]=4 207 B11R0.4 C#CCC(=O)NCCCCCC WXVL_AK0286SB3070 [0,1,0,0,0,0|1,0,2]=4 208 B11R0.4 C#CCC(=O)NCCCCCO WXVL_AK0077SB3070 [0,1,0,0,0,0|1,0,2]=4 209 B11R0.4 C#CCC(=O)NCCCCCO WXVL_AK0077SB3070 [0,1,0,0,0,0|1,0,2]=4 210 B11R0.4 C#CCC(=O)NCCCOCC WXVL_AK0072SB3070 [0,1,0,0,0,0|1,0,2]=4 211 B11R0.4 C#CCC(=O)NCCCOCC WXVL_AK0072SB3070 [0,1,0,0,0,0|1,0,2]=4 212 B11R0.4 C#CCCCCNC(=O)CCC WXVL_AK00614SB0073 [0,1,0,0,0,0|1,0,1]=3 213 B11R0.4 C#CCCCCNC(=O)CCC WXVL_AK00614SB0073 [0,1,0,0,0,0|1,0,1]=3 214 B11R0.4 C#CCCCCNC(=O)COC WXVL_AK00614SB0090 [0,1,0,0,0,0|2,0,1]=4 215 B11R0.4 C#CCCCCNC(=O)COC WXVL_AK00614SB0090 [0,1,0,0,0,0|2,0,1]=4 216 B11R0.4 C#CCCCCNC(=O)CSC WXVL_AK00614SB1267 [0,1,0,0,0,0|2,0,1]=4 217 B11R0.4 C#CCCCCNC(=O)CSC WXVL_AK00614SB1267 [0,1,0,0,0,0|2,0,1]=4 218 B11R0.4 C#CCOCCNC(=O)CCC WXVL_AK00687SB0073 [0,1,0,0,0,0|1,0,2]=4 219 B11R0.4 C#CCOCCNC(=O)CCC WXVL_AK00687SB0073 [0,1,0,0,0,0|1,0,2]=4 220 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,1,0,0,0,0|1,0,2]=4 221 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,1,0,0,0,0|1,0,2]=4 222 B11R0.4 C/C=C/C(=O)NCCCCCO WXVL_AK0077SB0340 [0,1,0,0,0,0|1,0,2]=4 223 B11R0.4 C/C=C/C(=O)NCCCCCO WXVL_AK0077SB0340 [0,1,0,0,0,0|1,0,2]=4 224 B11R0.4 C/C=C/C(=O)NCCCOCC WXVL_AK0072SB0340 [0,1,0,0,0,0|1,0,2]=4 225 B11R0.4 C/C=C/C(=O)NCCCOCC WXVL_AK0072SB0340 [0,1,0,0,0,0|1,0,2]=4 226 B11R0.4 C=CCC(=O)NCCCCCC WXVL_AK0286SB2732 [0,1,0,0,0,0|1,0,2]=4 227 B11R0.4 C=CCC(=O)NCCCCCC WXVL_AK0286SB2732 [0,1,0,0,0,0|1,0,2]=4 228 B11R0.4 C=CCC(=O)NCCCCCO WXVL_AK0077SB2732 [0,1,0,0,0,0|1,0,2]=4 229 B11R0.4 C=CCC(=O)NCCCCCO WXVL_AK0077SB2732 [0,1,0,0,0,0|1,0,2]=4 230 B11R0.4 C=CCC(=O)NCCCOCC WXVL_AK0072SB2732 [0,1,0,0,0,0|1,0,2]=4 231 B11R0.4 C=CCC(=O)NCCCOCC WXVL_AK0072SB2732 [0,1,0,0,0,0|1,0,2]=4 232 B11R0.4 C=COCCCNC(=O)CCC WXVL_AK7221SB0073 [0,1,0,0,0,0|1,0,2]=4 233 B11R0.4 C=COCCCNC(=O)CCC WXVL_AK7221SB0073 [0,1,0,0,0,0|1,0,2]=4 234 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [0,1,0,0,0,0|1,0,2]=4 235 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [0,1,0,0,0,0|1,0,2]=4 236 B11R0.4 CC#CC(=O)NCCCCCO WXVL_AK0077SB1240 [0,1,0,0,0,0|1,0,2]=4 237 B11R0.4 CC#CC(=O)NCCCCCO WXVL_AK0077SB1240 [0,1,0,0,0,0|1,0,2]=4 238 B11R0.4 CC#CC(=O)NCCCOCC WXVL_AK0072SB1240 [0,1,0,0,0,0|1,0,2]=4 239 B11R0.4 CC#CC(=O)NCCCOCC WXVL_AK0072SB1240 [0,1,0,0,0,0|1,0,2]=4 240 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [0,1,0,0,0,0|1,0,0]=2 241 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [0,1,0,0,0,0|1,0,0]=2 242 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,1,0,0,0,0|1,0,0]=2 243 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,1,0,0,0,0|1,0,0]=2 244 B11R0.4 CCCC(=O)NCCNCCO WXVL_AK0954SB0073 [0,1,0,0,0,0|2,0,0]=3 245 B11R0.4 CCCC(=O)NCCNCCO WXVL_AK0954SB0073 [0,1,0,0,0,0|2,0,0]=3 246 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,1,0,0,0,0|2,0,0]=3 247 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,1,0,0,0,0|2,0,0]=3 248 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,1,0,0,0,0|2,0,0]=3 249 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,1,0,0,0,0|2,0,0]=3 250 B11R0.4 CCCCCCNC(=O)CC#N WXVL_AK0286SB0057 [0,1,0,0,0,0|2,0,1]=4 251 B11R0.4 CCCCCCNC(=O)CC#N WXVL_AK0286SB0057 [0,1,0,0,0,0|2,0,1]=4 252 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,1,0,0,0,0|1,0,0]=2 253 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,1,0,0,0,0|1,0,0]=2 254 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,1,0,0,0,0|2,0,0]=3 255 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,1,0,0,0,0|2,0,0]=3 256 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,1,0,0,0,0|2,0,0]=3 257 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,1,0,0,0,0|2,0,0]=3 258 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,1,0,0,0,0|2,0,0]=3 259 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,1,0,0,0,0|2,0,0]=3 260 B11R0.4 CCOCCCNC(=O)CC#N WXVL_AK0072SB0057 [0,1,0,0,0,0|2,0,1]=4 261 B11R0.4 CCOCCCNC(=O)CC#N WXVL_AK0072SB0057 [0,1,0,0,0,0|2,0,1]=4 262 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,1,0,0,0,0|2,0,0]=3 263 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,1,0,0,0,0|2,0,0]=3 264 B11R0.4 CCOCCCNC(=O)CSC WXVL_AK0072SB1267 [0,1,0,0,0,0|2,0,0]=3 265 B11R0.4 CCOCCCNC(=O)CSC WXVL_AK0072SB1267 [0,1,0,0,0,0|2,0,0]=3 266 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,1,0,0,0,0|2,0,0]=3 267 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,1,0,0,0,0|2,0,0]=3 268 B11R0.4 COCC(=O)NCCNCCO WXVL_AK0954SB0090 [0,1,0,0,0,0|3,0,0]=4 269 B11R0.4 COCC(=O)NCCNCCO WXVL_AK0954SB0090 [0,1,0,0,0,0|3,0,0]=4 270 B11R0.4 CSCC(=O)NCCCCCO WXVL_AK0077SB1267 [0,1,0,0,0,0|2,0,0]=3 271 B11R0.4 CSCC(=O)NCCCCCO WXVL_AK0077SB1267 [0,1,0,0,0,0|2,0,0]=3 272 B11R0.4 CSCC(=O)NCCNCCO WXVL_AK0954SB1267 [0,1,0,0,0,0|3,0,0]=4 273 B11R0.4 CSCC(=O)NCCNCCO WXVL_AK0954SB1267 [0,1,0,0,0,0|3,0,0]=4 274 B11R0.4 N#CCC(=O)NCCCCCO WXVL_AK0077SB0057 [0,1,0,0,0,0|2,0,1]=4 275 B11R0.4 N#CCC(=O)NCCCCCO WXVL_AK0077SB0057 [0,1,0,0,0,0|2,0,1]=4 276 B11R0.81 C#CCCC(=O)NCCCCC WXVL_AK0076SB2189 [0,1,0,0,0,0|1,0,1]=3 277 B11R0.81 C#CCCC(=O)NCCCCC WXVL_AK0076SB2189 [0,1,0,0,0,0|1,0,1]=3 278 B11R0.81 C#CCCC(=O)NCCCCO WXVL_AK0075SB2189 [0,1,0,0,0,0|2,0,1]=4 279 B11R0.81 C#CCCC(=O)NCCCCO WXVL_AK0075SB2189 [0,1,0,0,0,0|2,0,1]=4 280 B11R0.81 C#CCCC(=O)NCCCOC WXVL_AK00637SB2189 [0,1,0,0,0,0|2,0,1]=4 281 B11R0.81 C#CCCC(=O)NCCCOC WXVL_AK00637SB2189 [0,1,0,0,0,0|2,0,1]=4 282 B11R0.81 C#CCCC(=O)NCCCSC WXVL_AK0965SB2189 [0,1,0,0,0,0|2,0,1]=4 283 B11R0.81 C#CCCC(=O)NCCCSC WXVL_AK0965SB2189 [0,1,0,0,0,0|2,0,1]=4 284 B11R0.81 C#CCCC(=O)NCCSCC WXVL_AK00494SB2189 [0,1,0,0,0,0|2,0,1]=4 285 B11R0.81 C#CCCC(=O)NCCSCC WXVL_AK00494SB2189 [0,1,0,0,0,0|2,0,1]=4 286 B11R0.81 C#CCCCNC(=O)CCOC WXVL_AK00218SB0156 [0,1,0,0,0,0|1,0,2]=4 287 B11R0.81 C#CCCCNC(=O)CCOC WXVL_AK00218SB0156 [0,1,0,0,0,0|1,0,2]=4 288 B11R0.81 C#CCCCNC(=O)CCSC WXVL_AK00218SB0361 [0,1,0,0,0,0|1,0,2]=4 289 B11R0.81 C#CCCCNC(=O)CCSC WXVL_AK00218SB0361 [0,1,0,0,0,0|1,0,2]=4 290 B11R0.81 C#CCCCNC(=O)COCC WXVL_AK00218SB0091 [0,1,0,0,0,0|1,0,2]=4 291 B11R0.81 C#CCCCNC(=O)COCC WXVL_AK00218SB0091 [0,1,0,0,0,0|1,0,2]=4 292 B11R0.81 C#CCCCNC(=O)CSCC WXVL_AK00218SB0002 [0,1,0,0,0,0|1,0,2]=4 293 B11R0.81 C#CCCCNC(=O)CSCC WXVL_AK00218SB0002 [0,1,0,0,0,0|1,0,2]=4 294 B11R0.81 C=CCCC(=O)NCCCCC WXVL_AK0076SB1035 [0,1,0,0,0,0|1,0,1]=3 295 B11R0.81 C=CCCC(=O)NCCCCC WXVL_AK0076SB1035 [0,1,0,0,0,0|1,0,1]=3 296 B11R0.81 C=CCCC(=O)NCCCCO WXVL_AK0075SB1035 [0,1,0,0,0,0|2,0,1]=4 297 B11R0.81 C=CCCC(=O)NCCCCO WXVL_AK0075SB1035 [0,1,0,0,0,0|2,0,1]=4 298 B11R0.81 C=CCCC(=O)NCCCOC WXVL_AK00637SB1035 [0,1,0,0,0,0|2,0,1]=4 299 B11R0.81 C=CCCC(=O)NCCCOC WXVL_AK00637SB1035 [0,1,0,0,0,0|2,0,1]=4 300 B11R0.81 C=CCCC(=O)NCCCSC WXVL_AK0965SB1035 [0,1,0,0,0,0|2,0,1]=4 301 B11R0.81 C=CCCC(=O)NCCCSC WXVL_AK0965SB1035 [0,1,0,0,0,0|2,0,1]=4 302 B11R0.81 C=CCCC(=O)NCCSCC WXVL_AK00494SB1035 [0,1,0,0,0,0|2,0,1]=4 303 B11R0.81 C=CCCC(=O)NCCSCC WXVL_AK00494SB1035 [0,1,0,0,0,0|2,0,1]=4 304 B11R0.81 CCCCCNC(=O)/C=C/CBr WXVL_AK0076SB0424 [0,1,0,0,0,0|1,0,2]=4 305 B11R0.81 CCCCCNC(=O)/C=C/CBr WXVL_AK0076SB0424 [0,1,0,0,0,0|1,0,2]=4 306 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [0,1,0,0,0,0|1,0,0]=2 307 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [0,1,0,0,0,0|1,0,0]=2 308 B11R0.81 CCCCCNC(=O)CCSC WXVL_AK0076SB0361 [0,1,0,0,0,0|1,0,0]=2 309 B11R0.81 CCCCCNC(=O)CCSC WXVL_AK0076SB0361 [0,1,0,0,0,0|1,0,0]=2 310 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [0,1,0,0,0,0|1,0,0]=2 311 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [0,1,0,0,0,0|1,0,0]=2 312 B11R0.81 CCCCCNC(=O)CSCC WXVL_AK0076SB0002 [0,1,0,0,0,0|1,0,0]=2 313 B11R0.81 CCCCCNC(=O)CSCC WXVL_AK0076SB0002 [0,1,0,0,0,0|1,0,0]=2 314 B11R0.81 CCCCCNC(=O)NCCCl WXVL_AK0076YV0092 [0,1,0,0,0,0|2,0,0]=3 315 B11R0.81 CCCCCNC(=O)NCCCl WXVL_AK0076YV0092 [0,1,0,0,0,0|2,0,0]=3 316 B11R0.81 CCCNC(=O)CCCCCBr WXVL_AK00504SB2192 [0,1,0,0,0,0|2,0,0]=3 317 B11R0.81 CCCNC(=O)CCCCCBr WXVL_AK00504SB2192 [0,1,0,0,0,0|2,0,0]=3 318 B11R0.81 CCCNC(=O)CCCCCO WXVL_AK00504SB2973 [0,1,0,0,0,0|2,0,0]=3 319 B11R0.81 CCCNC(=O)CCCCCO WXVL_AK00504SB2973 [0,1,0,0,0,0|2,0,0]=3 320 B11R0.81 CCCNC(=O)COCCOC WXVL_AK00504SB0159 [0,1,0,0,0,0|3,0,0]=4 321 B11R0.81 CCCNC(=O)COCCOC WXVL_AK00504SB0159 [0,1,0,0,0,0|3,0,0]=4 322 B11R0.81 CCOCC(=O)NCCCCO WXVL_AK0075SB0091 [0,1,0,0,0,0|2,0,0]=3 323 B11R0.81 CCOCC(=O)NCCCCO WXVL_AK0075SB0091 [0,1,0,0,0,0|2,0,0]=3 324 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [0,1,0,0,0,0|2,0,0]=3 325 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [0,1,0,0,0,0|2,0,0]=3 326 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [0,1,0,0,0,0|2,0,0]=3 327 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [0,1,0,0,0,0|2,0,0]=3 328 B11R0.81 CCOCC(=O)NCCSCC WXVL_AK00494SB0091 [0,1,0,0,0,0|2,0,0]=3 329 B11R0.81 CCOCC(=O)NCCSCC WXVL_AK00494SB0091 [0,1,0,0,0,0|2,0,0]=3 330 B11R0.81 CCSCC(=O)NCCCCO WXVL_AK0075SB0002 [0,1,0,0,0,0|2,0,0]=3 331 B11R0.81 CCSCC(=O)NCCCCO WXVL_AK0075SB0002 [0,1,0,0,0,0|2,0,0]=3 332 B11R0.81 CCSCC(=O)NCCCOC WXVL_AK00637SB0002 [0,1,0,0,0,0|2,0,0]=3 333 B11R0.81 CCSCC(=O)NCCCOC WXVL_AK00637SB0002 [0,1,0,0,0,0|2,0,0]=3 334 B11R0.81 CCSCC(=O)NCCCSC WXVL_AK0965SB0002 [0,1,0,0,0,0|2,0,0]=3 335 B11R0.81 CCSCC(=O)NCCCSC WXVL_AK0965SB0002 [0,1,0,0,0,0|2,0,0]=3 336 B11R0.81 CCSCCNC(=O)CCOC WXVL_AK00494SB0156 [0,1,0,0,0,0|2,0,0]=3 337 B11R0.81 CCSCCNC(=O)CCOC WXVL_AK00494SB0156 [0,1,0,0,0,0|2,0,0]=3 338 B11R0.81 CCSCCNC(=O)CCSC WXVL_AK00494SB0361 [0,1,0,0,0,0|2,0,0]=3 339 B11R0.81 CCSCCNC(=O)CCSC WXVL_AK00494SB0361 [0,1,0,0,0,0|2,0,0]=3 340 B11R0.81 CCSCCNC(=O)CSCC WXVL_AK00494SB0002 [0,1,0,0,0,0|2,0,0]=3 341 B11R0.81 CCSCCNC(=O)CSCC WXVL_AK00494SB0002 [0,1,0,0,0,0|2,0,0]=3 342 B11R0.81 CCSCCNC(=O)NCCCl WXVL_AK00494YV0092 [0,1,0,0,0,0|3,0,0]=4 343 B11R0.81 CCSCCNC(=O)NCCCl WXVL_AK00494YV0092 [0,1,0,0,0,0|3,0,0]=4 344 B11R0.81 COCCC(=O)NCCCCO WXVL_AK0075SB0156 [0,1,0,0,0,0|2,0,0]=3 345 B11R0.81 COCCC(=O)NCCCCO WXVL_AK0075SB0156 [0,1,0,0,0,0|2,0,0]=3 346 B11R0.81 COCCC(=O)NCCCSC WXVL_AK0965SB0156 [0,1,0,0,0,0|2,0,0]=3 347 B11R0.81 COCCC(=O)NCCCSC WXVL_AK0965SB0156 [0,1,0,0,0,0|2,0,0]=3 348 B11R0.81 COCCCNC(=O)CCOC WXVL_AK00637SB0156 [0,1,0,0,0,0|2,0,0]=3 349 B11R0.81 COCCCNC(=O)CCOC WXVL_AK00637SB0156 [0,1,0,0,0,0|2,0,0]=3 350 B11R0.81 COCCCNC(=O)CCSC WXVL_AK00637SB0361 [0,1,0,0,0,0|2,0,0]=3 351 B11R0.81 COCCCNC(=O)CCSC WXVL_AK00637SB0361 [0,1,0,0,0,0|2,0,0]=3 352 B11R0.81 COCCCNC(=O)NCCCl WXVL_AK00637YV0092 [0,1,0,0,0,0|3,0,0]=4 353 B11R0.81 COCCCNC(=O)NCCCl WXVL_AK00637YV0092 [0,1,0,0,0,0|3,0,0]=4 354 B11R0.81 CSCCC(=O)NCCCCO WXVL_AK0075SB0361 [0,1,0,0,0,0|2,0,0]=3 355 B11R0.81 CSCCC(=O)NCCCCO WXVL_AK0075SB0361 [0,1,0,0,0,0|2,0,0]=3 356 B11R0.81 CSCCCNC(=O)CCSC WXVL_AK0965SB0361 [0,1,0,0,0,0|2,0,0]=3 357 B11R0.81 CSCCCNC(=O)CCSC WXVL_AK0965SB0361 [0,1,0,0,0,0|2,0,0]=3 358 B11R0.81 CSCCCNC(=O)NCCCl WXVL_AK0965YV0092 [0,1,0,0,0,0|3,0,0]=4 359 B11R0.81 CSCCCNC(=O)NCCCl WXVL_AK0965YV0092 [0,1,0,0,0,0|3,0,0]=4 360 B11R0.81 O=C(CCCCCBr)NCCF WXVL_AK00466SB2192 [0,1,0,0,0,0|3,0,0]=4 361 B11R0.81 O=C(CCCCCBr)NCCF WXVL_AK00466SB2192 [0,1,0,0,0,0|3,0,0]=4 362 B11R0.81 O=C(CCCCCO)NCCF WXVL_AK00466SB2973 [0,1,0,0,0,0|3,0,0]=4 363 B11R0.81 O=C(CCCCCO)NCCF WXVL_AK00466SB2973 [0,1,0,0,0,0|3,0,0]=4 364 B11R0.81 O=C(NCCCl)NCCCCO WXVL_AK0075YV0092 [0,1,0,0,0,0|3,0,0]=4 365 B11R0.81 O=C(NCCCl)NCCCCO WXVL_AK0075YV0092 [0,1,0,0,0,0|3,0,0]=4 366 B11R0.142 C#CCCCNC(=O)C(C)CC WXVL_AK00218SB0054 [0,1,0,0,0,0|1,0,2]=4 367 B11R0.142 C#CCCCNC(=O)C(C)CC WXVL_AK00218SB0054 [0,1,0,0,0,0|1,0,2]=4 368 B11R0.142 C#CCCCNC(=O)[C@@H](O)CC WXVL_AK00218SB3573 [0,1,0,0,0,0|1,0,2]=4 369 B11R0.142 C#CCCCNC(=O)[C@@H](O)CC WXVL_AK00218SB3573 [0,1,0,0,0,0|1,0,2]=4 370 B11R0.142 C#CCCCNC(=O)[C@H](C)CC WXVL_AK00218SB00054 [0,1,0,0,0,0|1,0,2]=4 371 B11R0.142 C#CCCCNC(=O)[C@H](C)CC WXVL_AK00218SB00054 [0,1,0,0,0,0|1,0,2]=4 372 B11R0.142 C/C=C(\C)/C(=O)NCCCCC WXVL_AK0076SB0343 [0,1,0,0,0,0|1,0,2]=4 373 B11R0.142 C/C=C(\C)/C(=O)NCCCCC WXVL_AK0076SB0343 [0,1,0,0,0,0|1,0,2]=4 374 B11R0.142 CCC(=O)C(=O)NCCCCO WXVL_AK0075SB0344 [0,1,0,0,0,0|2,0,1]=4 375 B11R0.142 CCC(=O)C(=O)NCCCCO WXVL_AK0075SB0344 [0,1,0,0,0,0|2,0,1]=4 376 B11R0.142 CCC(=O)C(=O)NCCCOC WXVL_AK00637SB0344 [0,1,0,0,0,0|2,0,1]=4 377 B11R0.142 CCC(=O)C(=O)NCCCOC WXVL_AK00637SB0344 [0,1,0,0,0,0|2,0,1]=4 378 B11R0.142 CCC(=O)C(=O)NCCCSC WXVL_AK0965SB0344 [0,1,0,0,0,0|2,0,1]=4 379 B11R0.142 CCC(=O)C(=O)NCCCSC WXVL_AK0965SB0344 [0,1,0,0,0,0|2,0,1]=4 380 B11R0.142 CCC(C)C(=O)NCCCCO WXVL_AK0075SB0054 [0,1,0,0,0,0|2,0,0]=3 381 B11R0.142 CCC(C)C(=O)NCCCCO WXVL_AK0075SB0054 [0,1,0,0,0,0|2,0,0]=3 382 B11R0.142 CCC(C)C(=O)NCCCOC WXVL_AK00637SB0054 [0,1,0,0,0,0|2,0,0]=3 383 B11R0.142 CCC(C)C(=O)NCCCOC WXVL_AK00637SB0054 [0,1,0,0,0,0|2,0,0]=3 384 B11R0.142 CCC(C)C(=O)NCCCSC WXVL_AK0965SB0054 [0,1,0,0,0,0|2,0,0]=3 385 B11R0.142 CCC(C)C(=O)NCCCSC WXVL_AK0965SB0054 [0,1,0,0,0,0|2,0,0]=3 386 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [0,1,0,0,0,0|1,0,1]=3 387 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [0,1,0,0,0,0|1,0,1]=3 388 B11R0.142 CCCCCNC(=O)C(C)CC WXVL_AK0076SB0054 [0,1,0,0,0,0|1,0,0]=2 389 B11R0.142 CCCCCNC(=O)C(C)CC WXVL_AK0076SB0054 [0,1,0,0,0,0|1,0,0]=2 390 B11R0.142 CCCCCNC(=O)[C@@H](C)OC WXVL_AK0076SB2926 [0,1,0,0,0,0|2,0,0]=3 391 B11R0.142 CCCCCNC(=O)[C@@H](C)OC WXVL_AK0076SB2926 [0,1,0,0,0,0|2,0,0]=3 392 B11R0.142 CCCCCNC(=O)[C@@H](O)CC WXVL_AK0076SB3573 [0,1,0,0,0,0|1,0,0]=2 393 B11R0.142 CCCCCNC(=O)[C@@H](O)CC WXVL_AK0076SB3573 [0,1,0,0,0,0|1,0,0]=2 394 B11R0.142 CCCCCNC(=O)[C@H](C)CC WXVL_AK0076SB00054 [0,1,0,0,0,0|1,0,0]=2 395 B11R0.142 CCCCCNC(=O)[C@H](C)CC WXVL_AK0076SB00054 [0,1,0,0,0,0|1,0,0]=2 396 B11R0.142 CCSCCNC(=O)C(=O)CC WXVL_AK00494SB0344 [0,1,0,0,0,0|2,0,1]=4 397 B11R0.142 CCSCCNC(=O)C(=O)CC WXVL_AK00494SB0344 [0,1,0,0,0,0|2,0,1]=4 398 B11R0.142 CCSCCNC(=O)C(C)CC WXVL_AK00494SB0054 [0,1,0,0,0,0|2,0,0]=3 399 B11R0.142 CCSCCNC(=O)C(C)CC WXVL_AK00494SB0054 [0,1,0,0,0,0|2,0,0]=3 400 B11R0.142 CCSCCNC(=O)[C@@H](C)OC WXVL_AK00494SB2926 [0,1,0,0,0,0|3,0,0]=4 401 B11R0.142 CCSCCNC(=O)[C@@H](C)OC WXVL_AK00494SB2926 [0,1,0,0,0,0|3,0,0]=4 402 B11R0.142 CCSCCNC(=O)[C@@H](O)CC WXVL_AK00494SB3573 [0,1,0,0,0,0|2,0,0]=3 403 B11R0.142 CCSCCNC(=O)[C@@H](O)CC WXVL_AK00494SB3573 [0,1,0,0,0,0|2,0,0]=3 404 B11R0.142 CCSCCNC(=O)[C@H](C)CC WXVL_AK00494SB00054 [0,1,0,0,0,0|2,0,0]=3 405 B11R0.142 CCSCCNC(=O)[C@H](C)CC WXVL_AK00494SB00054 [0,1,0,0,0,0|2,0,0]=3 406 B11R0.142 CC[C@@H](C)C(=O)NCCCCO WXVL_AK0075SB00054 [0,1,0,0,0,0|2,0,0]=3 407 B11R0.142 CC[C@@H](C)C(=O)NCCCCO WXVL_AK0075SB00054 [0,1,0,0,0,0|2,0,0]=3 408 B11R0.142 CC[C@@H](C)C(=O)NCCCOC WXVL_AK00637SB00054 [0,1,0,0,0,0|2,0,0]=3 409 B11R0.142 CC[C@@H](C)C(=O)NCCCOC WXVL_AK00637SB00054 [0,1,0,0,0,0|2,0,0]=3 410 B11R0.142 CC[C@@H](C)C(=O)NCCCSC WXVL_AK0965SB00054 [0,1,0,0,0,0|2,0,0]=3 411 B11R0.142 CC[C@@H](C)C(=O)NCCCSC WXVL_AK0965SB00054 [0,1,0,0,0,0|2,0,0]=3 412 B11R0.142 CC[C@H](O)C(=O)NCCCCO WXVL_AK0075SB3573 [0,1,0,0,0,0|2,0,0]=3 413 B11R0.142 CC[C@H](O)C(=O)NCCCCO WXVL_AK0075SB3573 [0,1,0,0,0,0|2,0,0]=3 414 B11R0.142 CC[C@H](O)C(=O)NCCCOC WXVL_AK00637SB3573 [0,1,0,0,0,0|2,0,0]=3 415 B11R0.142 CC[C@H](O)C(=O)NCCCOC WXVL_AK00637SB3573 [0,1,0,0,0,0|2,0,0]=3 416 B11R0.142 CC[C@H](O)C(=O)NCCCSC WXVL_AK0965SB3573 [0,1,0,0,0,0|2,0,0]=3 417 B11R0.142 CC[C@H](O)C(=O)NCCCSC WXVL_AK0965SB3573 [0,1,0,0,0,0|2,0,0]=3 418 B11R0.142 COCCCNC(=O)[C@@H](C)OC WXVL_AK00637SB2926 [0,1,0,0,0,0|3,0,0]=4 419 B11R0.142 COCCCNC(=O)[C@@H](C)OC WXVL_AK00637SB2926 [0,1,0,0,0,0|3,0,0]=4 420 B11R0.142 CO[C@H](C)C(=O)NCCCCO WXVL_AK0075SB2926 [0,1,0,0,0,0|3,0,0]=4 421 B11R0.142 CO[C@H](C)C(=O)NCCCCO WXVL_AK0075SB2926 [0,1,0,0,0,0|3,0,0]=4 422 B11R0.142 CO[C@H](C)C(=O)NCCCSC WXVL_AK0965SB2926 [0,1,0,0,0,0|3,0,0]=4 423 B11R0.142 CO[C@H](C)C(=O)NCCCSC WXVL_AK0965SB2926 [0,1,0,0,0,0|3,0,0]=4 424 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [0,1,0,0,0,0|2,0,0]=3 425 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [0,1,0,0,0,0|2,0,0]=3 426 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [0,1,0,0,0,0|3,0,0]=4 427 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [0,1,0,0,0,0|3,0,0]=4 428 B11R0.174 CCCC(=O)NCCC(C)CO WXVL_AK4143SB0073 [0,1,0,0,0,0|2,0,0]=3 429 B11R0.174 CCCC(=O)NCCC(C)CO WXVL_AK4143SB0073 [0,1,0,0,0,0|2,0,0]=3 430 B11R0.174 COCC(=O)NCCC(C)CO WXVL_AK4143SB0090 [0,1,0,0,0,0|3,0,0]=4 431 B11R0.174 COCC(=O)NCCC(C)CO WXVL_AK4143SB0090 [0,1,0,0,0,0|3,0,0]=4 432 B11R0.174 CSCC(=O)NCCC(C)CO WXVL_AK4143SB1267 [0,1,0,0,0,0|3,0,0]=4 433 B11R0.174 CSCC(=O)NCCC(C)CO WXVL_AK4143SB1267 [0,1,0,0,0,0|3,0,0]=4 434 B11R0.176 CCCC(=O)NCCNC(=O)C WXVL_AK0057SB0073 [0,1,0,0,0,0|2,0,1]=4 435 B11R0.176 CCCC(=O)NCCNC(=O)C WXVL_AK0057SB0073 [0,1,0,0,0,0|2,0,1]=4 436 B11R0.176 CCCC(=O)NCCOC(C)C WXVL_AK0128SB0073 [0,1,0,0,0,0|2,0,0]=3 437 B11R0.176 CCCC(=O)NCCOC(C)C WXVL_AK0128SB0073 [0,1,0,0,0,0|2,0,0]=3 438 B11R0.176 COCC(=O)NCCOC(C)C WXVL_AK0128SB0090 [0,1,0,0,0,0|3,0,0]=4 439 B11R0.176 COCC(=O)NCCOC(C)C WXVL_AK0128SB0090 [0,1,0,0,0,0|3,0,0]=4 440 B11R0.176 CSCC(=O)NCCOC(C)C WXVL_AK0128SB1267 [0,1,0,0,0,0|3,0,0]=4 441 B11R0.176 CSCC(=O)NCCOC(C)C WXVL_AK0128SB1267 [0,1,0,0,0,0|3,0,0]=4 442 B11R0.304 CCCCCNS(=O)(=O)CCBr WXVL_AK0076HU0461 [0,1,0,0,0,0|3,0,0]=4 443 B11R0.304 CCCCCNS(=O)(=O)CCBr WXVL_AK0076HU0461 [0,1,0,0,0,0|3,0,0]=4 444 B11R0.304 CCCCCNS(=O)(=O)CCC WXVL_AK0076HU0030 [0,1,0,0,0,0|2,0,0]=3 445 B11R0.304 CCCCCNS(=O)(=O)CCC WXVL_AK0076HU0030 [0,1,0,0,0,0|2,0,0]=3 446 B11R0.304 CCCCCNS(=O)(=O)CCCl WXVL_AK0076HU0029 [0,1,0,0,0,0|3,0,0]=4 447 B11R0.304 CCCCCNS(=O)(=O)CCCl WXVL_AK0076HU0029 [0,1,0,0,0,0|3,0,0]=4 448 B11R0.304 CCCS(=O)(=O)NCCCCO WXVL_AK0075HU0030 [0,1,0,0,0,0|3,0,0]=4 449 B11R0.304 CCCS(=O)(=O)NCCCCO WXVL_AK0075HU0030 [0,1,0,0,0,0|3,0,0]=4 450 B11R0.304 CCCS(=O)(=O)NCCCOC WXVL_AK00637HU0030 [0,1,0,0,0,0|3,0,0]=4 451 B11R0.304 CCCS(=O)(=O)NCCCOC WXVL_AK00637HU0030 [0,1,0,0,0,0|3,0,0]=4 452 B11R0.304 CCCS(=O)(=O)NCCCSC WXVL_AK0965HU0030 [0,1,0,0,0,0|3,0,0]=4 453 B11R0.304 CCCS(=O)(=O)NCCCSC WXVL_AK0965HU0030 [0,1,0,0,0,0|3,0,0]=4 454 B11R0.304 CCCS(=O)(=O)NCCSCC WXVL_AK00494HU0030 [0,1,0,0,0,0|3,0,0]=4 455 B11R0.304 CCCS(=O)(=O)NCCSCC WXVL_AK00494HU0030 [0,1,0,0,0,0|3,0,0]=4 456 B11R1.16 CCCC(=O)N1CCOCC1 WXVL_AN00478SB0073 [0,0,0,1,0,0|2,0,0]=3 457 B11R1.16 CCCC(=O)N1CCOCC1 WXVL_AN00478SB0073 [0,0,0,1,0,0|2,0,0]=3 458 B11R1.16 CCCC(=O)N1CCSCC1 WXVL_AN0896SB0073 [0,0,0,1,0,0|2,0,0]=3 459 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [0,0,0,1,0,0|2,0,0]=3 460 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [0,0,0,1,0,0|2,0,0]=3 461 B11R1.16 CCNC(=O)C1CCCCO1 WXVL_AK00476SB0206 [0,0,0,1,0,0|3,0,0]=4 462 B11R1.16 CCNC(=O)C1CCCCO1 WXVL_AK00476SB0206 [0,0,0,1,0,0|3,0,0]=4 463 B11R1.16 CCNC(=O)C1CCOCC1 WXVL_AK00476SB0149 [0,0,0,1,0,0|3,0,0]=4 464 B11R1.16 CCNC(=O)C1CCOCC1 WXVL_AK00476SB0149 [0,0,0,1,0,0|3,0,0]=4 465 B11R1.16 CCNC(=O)C1CCSCC1 WXVL_AK00476SB0752 [0,0,0,1,0,0|3,0,0]=4 466 B11R1.16 CCNC(=O)C1CCSCC1 WXVL_AK00476SB0752 [0,0,0,1,0,0|3,0,0]=4 467 B11R1.16 CCNC(=O)[C@H]1CCCCO1 WXVL_AK00476SB00044 [0,0,0,1,0,0|3,0,0]=4 468 B11R1.16 CCNC(=O)[C@H]1CCCCO1 WXVL_AK00476SB00044 [0,0,0,1,0,0|3,0,0]=4 469 B11R1.16 COCC(=O)N1CCOCC1 WXVL_AN00478SB0090 [0,0,0,1,0,0|3,0,0]=4 470 B11R1.16 COCC(=O)N1CCOCC1 WXVL_AN00478SB0090 [0,0,0,1,0,0|3,0,0]=4 471 B11R1.16 COCC(=O)N1CCSCC1 WXVL_AN0896SB0090 [0,0,0,1,0,0|3,0,0]=4 472 B11R1.16 CSCC(=O)N1CCOCC1 WXVL_AN00478SB1267 [0,0,0,1,0,0|3,0,0]=4 473 B11R1.16 CSCC(=O)N1CCOCC1 WXVL_AN00478SB1267 [0,0,0,1,0,0|3,0,0]=4 474 B11R1.16 CSCC(=O)N1CCSCC1 WXVL_AN0896SB1267 [0,0,0,1,0,0|3,0,0]=4 475 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [0,0,0,1,0,0|2,0,0]=3 476 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [0,0,0,1,0,0|2,0,0]=3 477 B11R1.30 CCNC(=O)CN1CCCC1 WXVL_AK00476SB0201 [0,0,0,1,0,0|3,0,0]=4 478 B11R1.30 CCNC(=O)CN1CCCC1 WXVL_AK00476SB0201 [0,0,0,1,0,0|3,0,0]=4 479 B11R1.199 C#CCC(=O)N1CCC[C@H]1C WXVL_AN00593SB3070 [0,0,0,1,0,0|1,0,2]=4 480 B11R1.199 C/C=C/C(=O)N1CCC[C@H]1C WXVL_AN00593SB0340 [0,0,0,1,0,0|1,0,2]=4 481 B11R1.199 C=CCC(=O)N1CCC[C@H]1C WXVL_AN00593SB2732 [0,0,0,1,0,0|1,0,2]=4 482 B11R1.199 CC#CC(=O)N1CCC[C@H]1C WXVL_AN00593SB1240 [0,0,0,1,0,0|1,0,2]=4 483 B11R1.199 CCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0073 [0,0,0,1,0,0|1,0,0]=2 484 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [0,0,0,1,0,0|2,0,0]=3 485 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [0,0,0,1,0,0|2,0,0]=3 486 B11R1.199 CCNC(=O)[C@@H]1CCCN1C WXVL_AK00476SB1197 [0,0,0,1,0,0|3,0,0]=4 487 B11R1.199 CCNC(=O)[C@@H]1CCCN1C WXVL_AK00476SB1197 [0,0,0,1,0,0|3,0,0]=4 488 B11R1.199 COCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0090 [0,0,0,1,0,0|2,0,0]=3 489 B11R1.199 CSCC(=O)N1CCC[C@H]1C WXVL_AN00593SB1267 [0,0,0,1,0,0|2,0,0]=3 490 B11R1.199 C[C@@H]1CCCN1C(=O)CC#N WXVL_AN00593SB0057 [0,0,0,1,0,0|2,0,1]=4 491 B11R1.200 CCCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0073 [0,0,0,1,0,0|2,0,0]=3 492 B11R1.200 CCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0073 [0,0,0,1,0,0|2,0,0]=3 493 B11R1.200 CCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0073 [0,0,0,1,0,0|2,0,0]=3 494 B11R1.200 COCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0090 [0,0,0,1,0,0|3,0,0]=4 495 B11R1.200 COCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0090 [0,0,0,1,0,0|3,0,0]=4 496 B11R1.200 COCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0090 [0,0,0,1,0,0|3,0,0]=4 497 B11R1.200 CSCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB1267 [0,0,0,1,0,0|3,0,0]=4 498 B11R1.200 CSCC(=O)N1CC[C@H]1CO WXVL_AN3414SB1267 [0,0,0,1,0,0|3,0,0]=4 499 B11R1.200 CSCC(=O)N1CC[C@H]1CO WXVL_AN3414SB1267 [0,0,0,1,0,0|3,0,0]=4 500 B11R1.289 C#CCC(=O)NCC1CCC1 WXVL_AK00492SB3070 [0,0,0,1,0,0|1,0,2]=4 501 B11R1.289 C#CCC(=O)NCC1CCC1 WXVL_AK00492SB3070 [0,0,0,1,0,0|1,0,2]=4 502 B11R1.289 C/C=C/C(=O)NCC1CCC1 WXVL_AK00492SB0340 [0,0,0,1,0,0|1,0,2]=4 503 B11R1.289 C/C=C/C(=O)NCC1CCC1 WXVL_AK00492SB0340 [0,0,0,1,0,0|1,0,2]=4 504 B11R1.289 C=CCC(=O)NCC1CCC1 WXVL_AK00492SB2732 [0,0,0,1,0,0|1,0,2]=4 505 B11R1.289 C=CCC(=O)NCC1CCC1 WXVL_AK00492SB2732 [0,0,0,1,0,0|1,0,2]=4 506 B11R1.289 CC#CC(=O)NCC1CCC1 WXVL_AK00492SB1240 [0,0,0,1,0,0|1,0,2]=4 507 B11R1.289 CC#CC(=O)NCC1CCC1 WXVL_AK00492SB1240 [0,0,0,1,0,0|1,0,2]=4 508 B11R1.289 CCCC(=O)NCC1CCC1 WXVL_AK00492SB0073 [0,0,0,1,0,0|1,0,0]=2 509 B11R1.289 CCCC(=O)NCC1CCC1 WXVL_AK00492SB0073 [0,0,0,1,0,0|1,0,0]=2 510 B11R1.289 CCCC(=O)NCC1CCO1 WXVL_AK1433SB0073 [0,0,0,1,0,0|2,0,0]=3 511 B11R1.289 CCCC(=O)NCC1CCO1 WXVL_AK1433SB0073 [0,0,0,1,0,0|2,0,0]=3 512 B11R1.289 CCCC(=O)NCC1COC1 WXVL_AK0186SB0073 [0,0,0,1,0,0|2,0,0]=3 513 B11R1.289 CCCC(=O)NCC1COC1 WXVL_AK0186SB0073 [0,0,0,1,0,0|2,0,0]=3 514 B11R1.289 CCNC(=O)CCC1CCC1 WXVL_AK00476SB8784 [0,0,0,1,0,0|2,0,0]=3 515 B11R1.289 CCNC(=O)CCC1CCC1 WXVL_AK00476SB8784 [0,0,0,1,0,0|2,0,0]=3 516 B11R1.289 COCC(=O)NCC1CCC1 WXVL_AK00492SB0090 [0,0,0,1,0,0|2,0,0]=3 517 B11R1.289 COCC(=O)NCC1CCC1 WXVL_AK00492SB0090 [0,0,0,1,0,0|2,0,0]=3 518 B11R1.289 COCC(=O)NCC1CCO1 WXVL_AK1433SB0090 [0,0,0,1,0,0|3,0,0]=4 519 B11R1.289 COCC(=O)NCC1CCO1 WXVL_AK1433SB0090 [0,0,0,1,0,0|3,0,0]=4 520 B11R1.289 COCC(=O)NCC1COC1 WXVL_AK0186SB0090 [0,0,0,1,0,0|3,0,0]=4 521 B11R1.289 COCC(=O)NCC1COC1 WXVL_AK0186SB0090 [0,0,0,1,0,0|3,0,0]=4 522 B11R1.289 CSCC(=O)NCC1CCC1 WXVL_AK00492SB1267 [0,0,0,1,0,0|2,0,0]=3 523 B11R1.289 CSCC(=O)NCC1CCC1 WXVL_AK00492SB1267 [0,0,0,1,0,0|2,0,0]=3 524 B11R1.289 CSCC(=O)NCC1CCO1 WXVL_AK1433SB1267 [0,0,0,1,0,0|3,0,0]=4 525 B11R1.289 CSCC(=O)NCC1CCO1 WXVL_AK1433SB1267 [0,0,0,1,0,0|3,0,0]=4 526 B11R1.289 CSCC(=O)NCC1COC1 WXVL_AK0186SB1267 [0,0,0,1,0,0|3,0,0]=4 527 B11R1.289 CSCC(=O)NCC1COC1 WXVL_AK0186SB1267 [0,0,0,1,0,0|3,0,0]=4 528 B11R1.289 N#CCC(=O)NCC1CCC1 WXVL_AK00492SB0057 [0,0,0,1,0,0|2,0,1]=4 529 B11R1.289 N#CCC(=O)NCC1CCC1 WXVL_AK00492SB0057 [0,0,0,1,0,0|2,0,1]=4 530 B11R1.290 C#CCC(=O)NCCC1CC1 WXVL_AK00594SB3070 [0,0,0,1,0,0|1,0,2]=4 531 B11R1.290 C#CCC(=O)NCCC1CC1 WXVL_AK00594SB3070 [0,0,0,1,0,0|1,0,2]=4 532 B11R1.290 C/C=C/C(=O)NCCC1CC1 WXVL_AK00594SB0340 [0,0,0,1,0,0|1,0,2]=4 533 B11R1.290 C/C=C/C(=O)NCCC1CC1 WXVL_AK00594SB0340 [0,0,0,1,0,0|1,0,2]=4 534 B11R1.290 C=CCC(=O)NCCC1CC1 WXVL_AK00594SB2732 [0,0,0,1,0,0|1,0,2]=4 535 B11R1.290 C=CCC(=O)NCCC1CC1 WXVL_AK00594SB2732 [0,0,0,1,0,0|1,0,2]=4 536 B11R1.290 CC#CC(=O)NCCC1CC1 WXVL_AK00594SB1240 [0,0,0,1,0,0|1,0,2]=4 537 B11R1.290 CC#CC(=O)NCCC1CC1 WXVL_AK00594SB1240 [0,0,0,1,0,0|1,0,2]=4 538 B11R1.290 CCCC(=O)NCCC1CC1 WXVL_AK00594SB0073 [0,0,0,1,0,0|1,0,0]=2 539 B11R1.290 CCCC(=O)NCCC1CC1 WXVL_AK00594SB0073 [0,0,0,1,0,0|1,0,0]=2 540 B11R1.290 COCC(=O)NCCC1CC1 WXVL_AK00594SB0090 [0,0,0,1,0,0|2,0,0]=3 541 B11R1.290 COCC(=O)NCCC1CC1 WXVL_AK00594SB0090 [0,0,0,1,0,0|2,0,0]=3 542 B11R1.290 CSCC(=O)NCCC1CC1 WXVL_AK00594SB1267 [0,0,0,1,0,0|2,0,0]=3 543 B11R1.290 CSCC(=O)NCCC1CC1 WXVL_AK00594SB1267 [0,0,0,1,0,0|2,0,0]=3 544 B11R1.290 N#CCC(=O)NCCC1CC1 WXVL_AK00594SB0057 [0,0,0,1,0,0|2,0,1]=4 545 B11R1.290 N#CCC(=O)NCCC1CC1 WXVL_AK00594SB0057 [0,0,0,1,0,0|2,0,1]=4 546 B11R1.356 C#CCCCNC(=O)C1CC1 WXVL_AK00218SB0038 [0,0,0,1,0,0|1,0,2]=4 547 B11R1.356 C#CCCCNC(=O)C1CC1 WXVL_AK00218SB0038 [0,0,0,1,0,0|1,0,2]=4 548 B11R1.356 CCCCCNC(=O)C1CC1 WXVL_AK0076SB0038 [0,0,0,1,0,0|1,0,0]=2 549 B11R1.356 CCCCCNC(=O)C1CC1 WXVL_AK0076SB0038 [0,0,0,1,0,0|1,0,0]=2 550 B11R1.356 CCSCCNC(=O)C1CC1 WXVL_AK00494SB0038 [0,0,0,1,0,0|2,0,0]=3 551 B11R1.356 CCSCCNC(=O)C1CC1 WXVL_AK00494SB0038 [0,0,0,1,0,0|2,0,0]=3 552 B11R1.356 COCCCNC(=O)C1CC1 WXVL_AK00637SB0038 [0,0,0,1,0,0|2,0,0]=3 553 B11R1.356 COCCCNC(=O)C1CC1 WXVL_AK00637SB0038 [0,0,0,1,0,0|2,0,0]=3 554 B11R1.356 CSCCCNC(=O)C1CC1 WXVL_AK0965SB0038 [0,0,0,1,0,0|2,0,0]=3 555 B11R1.356 CSCCCNC(=O)C1CC1 WXVL_AK0965SB0038 [0,0,0,1,0,0|2,0,0]=3 556 B11R1.356 O=C(NCCCCO)C1CC1 WXVL_AK0075SB0038 [0,0,0,1,0,0|2,0,0]=3 557 B11R1.356 O=C(NCCCCO)C1CC1 WXVL_AK0075SB0038 [0,0,0,1,0,0|2,0,0]=3 558 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [2,0,0,0,0,0|2,0,0]=4 559 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [2,0,0,0,0,0|2,0,0]=4 560 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [2,0,0,0,0,0|1,0,0]=3 561 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [2,0,0,0,0,0|1,0,0]=3 562 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [2,0,0,0,0,0|2,0,0]=4 563 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [2,0,0,0,0,0|2,0,0]=4 564 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [2,0,0,0,0,0|2,0,0]=4 565 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [2,0,0,0,0,0|2,0,0]=4 566 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [2,0,0,0,0,0|2,0,0]=4 567 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [2,0,0,0,0,0|2,0,0]=4 568 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [2,0,0,0,0,0|2,0,0]=4 569 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [2,0,0,0,0,0|2,0,0]=4 570 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [2,0,0,0,0,0|2,0,0]=4 571 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [2,0,0,0,0,0|2,0,0]=4 572 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [2,0,0,0,0,0|2,0,0]=4 573 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [2,0,0,0,0,0|2,0,0]=4 574 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [2,0,0,0,0,0|2,0,0]=4 575 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [2,0,0,0,0,0|2,0,0]=4 576 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [2,0,0,0,0,0|2,0,0]=4 577 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [2,0,0,0,0,0|2,0,0]=4 578 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [2,0,0,0,0,0|1,0,0]=3 579 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [2,0,0,0,0,0|1,0,0]=3 580 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [2,0,0,0,0,0|2,0,0]=4 581 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [2,0,0,0,0,0|2,0,0]=4 582 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [2,0,0,0,0,0|2,0,0]=4 583 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [2,0,0,0,0,0|2,0,0]=4 584 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [2,0,0,0,0,0|2,0,0]=4 585 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [2,0,0,0,0,0|2,0,0]=4 586 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [2,0,0,0,0,0|2,0,0]=4 587 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [2,0,0,0,0,0|2,0,0]=4 588 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [2,0,0,0,0,0|1,0,0]=3 589 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [2,0,0,0,0,0|1,0,0]=3 590 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [2,0,0,0,0,0|2,0,0]=4 591 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [2,0,0,0,0,0|2,0,0]=4 592 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [2,0,0,0,0,0|2,0,0]=4 593 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [2,0,0,0,0,0|2,0,0]=4 594 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [2,0,0,0,0,0|2,0,0]=4 595 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [2,0,0,0,0,0|2,0,0]=4 596 B10R0.2 CCCC(=O)NC(C)CCO WXVL_AK1288SB0073 [1,1,0,0,0,0|2,0,0]=4 597 B10R0.2 CCCC(=O)NC(C)CCO WXVL_AK1288SB0073 [1,1,0,0,0,0|2,0,0]=4 598 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [1,1,0,0,0,0|1,0,0]=3 599 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [1,1,0,0,0,0|1,0,0]=3 600 B10R0.2 CCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0073 [1,1,0,0,0,0|2,0,0]=4 601 B10R0.2 CCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0073 [1,1,0,0,0,0|2,0,0]=4 602 B10R0.2 CCCC(=O)N[C@H](C)COC WXVL_AK00613SB0073 [1,1,0,0,0,0|2,0,0]=4 603 B10R0.2 CCCC(=O)N[C@H](C)COC WXVL_AK00613SB0073 [1,1,0,0,0,0|2,0,0]=4 604 B10R0.2 CCC[C@H](C)NC(=O)COC WXVL_AK00682SB0090 [1,1,0,0,0,0|2,0,0]=4 605 B10R0.2 CCC[C@H](C)NC(=O)COC WXVL_AK00682SB0090 [1,1,0,0,0,0|2,0,0]=4 606 B10R0.2 CCC[C@H](C)NC(=O)CSC WXVL_AK00682SB1267 [1,1,0,0,0,0|2,0,0]=4 607 B10R0.2 CCC[C@H](C)NC(=O)CSC WXVL_AK00682SB1267 [1,1,0,0,0,0|2,0,0]=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 COCC(=O)NCCC(C)C WXVL_AK0068SB0090 [1,1,0,0,0,0|2,0,0]=4 617 B10R0.3 COCC(=O)NCCC(C)C WXVL_AK0068SB0090 [1,1,0,0,0,0|2,0,0]=4 618 B10R0.3 CSCC(=O)NCCC(C)C WXVL_AK0068SB1267 [1,1,0,0,0,0|2,0,0]=4 619 B10R0.3 CSCC(=O)NCCC(C)C WXVL_AK0068SB1267 [1,1,0,0,0,0|2,0,0]=4 620 B10R0.6 CC(C)CC(=O)NCCCO WXVL_AK0073SB0063 [1,1,0,0,0,0|2,0,0]=4 621 B10R0.6 CC(C)CC(=O)NCCCO WXVL_AK0073SB0063 [1,1,0,0,0,0|2,0,0]=4 622 B10R0.6 CC(C)NC(=O)CCCCBr WXVL_AK0030SB3153 [1,1,0,0,0,0|2,0,0]=4 623 B10R0.6 CC(C)NC(=O)CCCCBr WXVL_AK0030SB3153 [1,1,0,0,0,0|2,0,0]=4 624 B10R0.6 CC(C)NC(=O)CCCCCl WXVL_AK0030SB0379 [1,1,0,0,0,0|2,0,0]=4 625 B10R0.6 CC(C)NC(=O)CCCCCl WXVL_AK0030SB0379 [1,1,0,0,0,0|2,0,0]=4 626 B10R0.6 CC(O)CC(=O)NCCCO WXVL_AK0073SB3643 [1,1,0,0,0,0|2,0,0]=4 627 B10R0.6 CC(O)CC(=O)NCCCO WXVL_AK0073SB3643 [1,1,0,0,0,0|2,0,0]=4 628 B10R0.6 CCCCNC(=O)CC(C)C WXVL_AK00588SB0063 [1,1,0,0,0,0|1,0,0]=3 629 B10R0.6 CCCCNC(=O)CC(C)C WXVL_AK00588SB0063 [1,1,0,0,0,0|1,0,0]=3 630 B10R0.6 CCCCNC(=O)CC(C)O WXVL_AK00588SB3643 [1,1,0,0,0,0|1,0,0]=3 631 B10R0.6 CCCCNC(=O)CC(C)O WXVL_AK00588SB3643 [1,1,0,0,0,0|1,0,0]=3 632 B10R0.6 CCCCNC(=O)CN(C)C WXVL_AK00588SB0085 [1,1,0,0,0,0|2,0,0]=4 633 B10R0.6 CCCCNC(=O)CN(C)C WXVL_AK00588SB0085 [1,1,0,0,0,0|2,0,0]=4 634 B10R0.6 CSCCNC(=O)CC(C)C WXVL_AK00440SB0063 [1,1,0,0,0,0|2,0,0]=4 635 B10R0.6 CSCCNC(=O)CC(C)C WXVL_AK00440SB0063 [1,1,0,0,0,0|2,0,0]=4 636 B10R0.6 CSCCNC(=O)CC(C)O WXVL_AK00440SB3643 [1,1,0,0,0,0|2,0,0]=4 637 B10R0.6 CSCCNC(=O)CC(C)O WXVL_AK00440SB3643 [1,1,0,0,0,0|2,0,0]=4 638 B10R0.19 CCCC(=O)N(C)CCOC WXVL_AN0085SB0073 [1,1,0,0,0,0|2,0,0]=4 639 B10R0.19 CCCC(=O)N(C)CCOC WXVL_AN0085SB0073 [1,1,0,0,0,0|2,0,0]=4 640 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [1,1,0,0,0,0|1,0,0]=3 641 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [1,1,0,0,0,0|1,0,0]=3 642 B10R0.83 CCC(C)C(=O)NCCCO WXVL_AK0073SB0054 [1,1,0,0,0,0|2,0,0]=4 643 B10R0.83 CCC(C)C(=O)NCCCO WXVL_AK0073SB0054 [1,1,0,0,0,0|2,0,0]=4 644 B10R0.83 CCC(C)C(=O)NCCSC WXVL_AK00440SB0054 [1,1,0,0,0,0|2,0,0]=4 645 B10R0.83 CCC(C)C(=O)NCCSC WXVL_AK00440SB0054 [1,1,0,0,0,0|2,0,0]=4 646 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [1,1,0,0,0,0|1,0,1]=4 647 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [1,1,0,0,0,0|1,0,1]=4 648 B10R0.83 CCCCNC(=O)C(C)CC WXVL_AK00588SB0054 [1,1,0,0,0,0|1,0,0]=3 649 B10R0.83 CCCCNC(=O)C(C)CC WXVL_AK00588SB0054 [1,1,0,0,0,0|1,0,0]=3 650 B10R0.83 CCCCNC(=O)[C@@H](C)OC WXVL_AK00588SB2926 [1,1,0,0,0,0|2,0,0]=4 651 B10R0.83 CCCCNC(=O)[C@@H](C)OC WXVL_AK00588SB2926 [1,1,0,0,0,0|2,0,0]=4 652 B10R0.83 CCCCNC(=O)[C@@H](O)CC WXVL_AK00588SB3573 [1,1,0,0,0,0|1,0,0]=3 653 B10R0.83 CCCCNC(=O)[C@@H](O)CC WXVL_AK00588SB3573 [1,1,0,0,0,0|1,0,0]=3 654 B10R0.83 CCCCNC(=O)[C@H](C)CC WXVL_AK00588SB00054 [1,1,0,0,0,0|1,0,0]=3 655 B10R0.83 CCCCNC(=O)[C@H](C)CC WXVL_AK00588SB00054 [1,1,0,0,0,0|1,0,0]=3 656 B10R0.83 CC[C@@H](C)C(=O)NCCCO WXVL_AK0073SB00054 [1,1,0,0,0,0|2,0,0]=4 657 B10R0.83 CC[C@@H](C)C(=O)NCCCO WXVL_AK0073SB00054 [1,1,0,0,0,0|2,0,0]=4 658 B10R0.83 CC[C@@H](C)C(=O)NCCSC WXVL_AK00440SB00054 [1,1,0,0,0,0|2,0,0]=4 659 B10R0.83 CC[C@@H](C)C(=O)NCCSC WXVL_AK00440SB00054 [1,1,0,0,0,0|2,0,0]=4 660 B10R0.83 CC[C@H](O)C(=O)NCCCO WXVL_AK0073SB3573 [1,1,0,0,0,0|2,0,0]=4 661 B10R0.83 CC[C@H](O)C(=O)NCCCO WXVL_AK0073SB3573 [1,1,0,0,0,0|2,0,0]=4 662 B10R0.83 CC[C@H](O)C(=O)NCCSC WXVL_AK00440SB3573 [1,1,0,0,0,0|2,0,0]=4 663 B10R0.83 CC[C@H](O)C(=O)NCCSC WXVL_AK00440SB3573 [1,1,0,0,0,0|2,0,0]=4 664 B10R0.91 C#CCCC(=O)NCCCC WXVL_AK00588SB2189 [1,1,0,0,0,0|1,0,1]=4 665 B10R0.91 C#CCCC(=O)NCCCC WXVL_AK00588SB2189 [1,1,0,0,0,0|1,0,1]=4 666 B10R0.91 C#CCCCC(=O)NCCC WXVL_AK00504SB2709 [1,1,0,0,0,0|0,0,2]=4 667 B10R0.91 C#CCCCC(=O)NCCC WXVL_AK00504SB2709 [1,1,0,0,0,0|0,0,2]=4 668 B10R0.91 C=CCCC(=O)NCCCC WXVL_AK00588SB1035 [1,1,0,0,0,0|1,0,1]=4 669 B10R0.91 C=CCCC(=O)NCCCC WXVL_AK00588SB1035 [1,1,0,0,0,0|1,0,1]=4 670 B10R0.91 C=CCCCC(=O)NCCC WXVL_AK00504SB2920 [1,1,0,0,0,0|0,0,2]=4 671 B10R0.91 C=CCCCC(=O)NCCC WXVL_AK00504SB2920 [1,1,0,0,0,0|0,0,2]=4 672 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [1,1,0,0,0,0|0,0,2]=4 673 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [1,1,0,0,0,0|0,0,2]=4 674 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [1,1,0,0,0,0|1,0,0]=3 675 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [1,1,0,0,0,0|1,0,0]=3 676 B10R0.91 CCCCNC(=O)CCSC WXVL_AK00588SB0361 [1,1,0,0,0,0|1,0,0]=3 677 B10R0.91 CCCCNC(=O)CCSC WXVL_AK00588SB0361 [1,1,0,0,0,0|1,0,0]=3 678 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [1,1,0,0,0,0|1,0,0]=3 679 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [1,1,0,0,0,0|1,0,0]=3 680 B10R0.91 CCCCNC(=O)CSCC WXVL_AK00588SB0002 [1,1,0,0,0,0|1,0,0]=3 681 B10R0.91 CCCCNC(=O)CSCC WXVL_AK00588SB0002 [1,1,0,0,0,0|1,0,0]=3 682 B10R0.91 CCCCNC(=O)NCCCl WXVL_AK00588YV0092 [1,1,0,0,0,0|2,0,0]=4 683 B10R0.91 CCCCNC(=O)NCCCl WXVL_AK00588YV0092 [1,1,0,0,0,0|2,0,0]=4 684 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [1,1,0,0,0,0|1,0,0]=3 685 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [1,1,0,0,0,0|1,0,0]=3 686 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [1,1,0,0,0,0|1,0,0]=3 687 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [1,1,0,0,0,0|1,0,0]=3 688 B10R0.91 CCCNC(=O)NCCCCl WXVL_AK00504YV0130 [1,1,0,0,0,0|2,0,0]=4 689 B10R0.91 CCCNC(=O)NCCCCl WXVL_AK00504YV0130 [1,1,0,0,0,0|2,0,0]=4 690 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [1,1,0,0,0,0|2,0,0]=4 691 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [1,1,0,0,0,0|2,0,0]=4 692 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [1,1,0,0,0,0|2,0,0]=4 693 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [1,1,0,0,0,0|2,0,0]=4 694 B10R0.91 CCSCC(=O)NCCCO WXVL_AK0073SB0002 [1,1,0,0,0,0|2,0,0]=4 695 B10R0.91 CCSCC(=O)NCCCO WXVL_AK0073SB0002 [1,1,0,0,0,0|2,0,0]=4 696 B10R0.91 CCSCC(=O)NCCSC WXVL_AK00440SB0002 [1,1,0,0,0,0|2,0,0]=4 697 B10R0.91 CCSCC(=O)NCCSC WXVL_AK00440SB0002 [1,1,0,0,0,0|2,0,0]=4 698 B10R0.91 COCCC(=O)NCCCO WXVL_AK0073SB0156 [1,1,0,0,0,0|2,0,0]=4 699 B10R0.91 COCCC(=O)NCCCO WXVL_AK0073SB0156 [1,1,0,0,0,0|2,0,0]=4 700 B10R0.91 COCCC(=O)NCCSC WXVL_AK00440SB0156 [1,1,0,0,0,0|2,0,0]=4 701 B10R0.91 COCCC(=O)NCCSC WXVL_AK00440SB0156 [1,1,0,0,0,0|2,0,0]=4 702 B10R0.91 CSCCC(=O)NCCCO WXVL_AK0073SB0361 [1,1,0,0,0,0|2,0,0]=4 703 B10R0.91 CSCCC(=O)NCCCO WXVL_AK0073SB0361 [1,1,0,0,0,0|2,0,0]=4 704 B10R0.91 CSCCNC(=O)CCSC WXVL_AK00440SB0361 [1,1,0,0,0,0|2,0,0]=4 705 B10R0.91 CSCCNC(=O)CCSC WXVL_AK00440SB0361 [1,1,0,0,0,0|2,0,0]=4 706 B10R0.91 O=C(CCCCBr)NCCF WXVL_AK00466SB3153 [1,1,0,0,0,0|2,0,0]=4 707 B10R0.91 O=C(CCCCBr)NCCF WXVL_AK00466SB3153 [1,1,0,0,0,0|2,0,0]=4 708 B10R0.91 O=C(CCCCCl)NCCF WXVL_AK00466SB0379 [1,1,0,0,0,0|2,0,0]=4 709 B10R0.91 O=C(CCCCCl)NCCF WXVL_AK00466SB0379 [1,1,0,0,0,0|2,0,0]=4 710 B10R0.108 CCCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0073 [1,1,0,0,0,0|2,0,0]=4 711 B10R0.108 CCCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0073 [1,1,0,0,0,0|2,0,0]=4 712 B10R0.108 CCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0073 [1,1,0,0,0,0|2,0,0]=4 713 B10R0.108 CCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0073 [1,1,0,0,0,0|2,0,0]=4 714 B10R0.108 CCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0073 [1,1,0,0,0,0|2,0,0]=4 715 B10R0.108 CCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0073 [1,1,0,0,0,0|2,0,0]=4 716 B10R0.156 CCCCNS(=O)(=O)CCC WXVL_AK00588HU0030 [1,1,0,0,0,0|2,0,0]=4 717 B10R0.156 CCCCNS(=O)(=O)CCC WXVL_AK00588HU0030 [1,1,0,0,0,0|2,0,0]=4 718 B10R0.55 CCC(=O)NCCOC(C)C WXVL_AK0128SB0064 [1,1,0,0,0,0|2,0,0]=4 719 B10R0.55 CCC(=O)NCCOC(C)C WXVL_AK0128SB0064 [1,1,0,0,0,0|2,0,0]=4 720 B10R0.59 CCC(=O)NCCC(C)CO WXVL_AK4143SB0064 [1,1,0,0,0,0|2,0,0]=4 721 B10R0.59 CCC(=O)NCCC(C)CO WXVL_AK4143SB0064 [1,1,0,0,0,0|2,0,0]=4 722 B10R0.62 CCCCCNS(=O)(=O)CC WXVL_AK0076HU0028 [1,1,0,0,0,0|2,0,0]=4 723 B10R0.62 CCCCCNS(=O)(=O)CC WXVL_AK0076HU0028 [1,1,0,0,0,0|2,0,0]=4 724 B10R0.75 CC(C)C(=O)NCCCCO WXVL_AK0075SB0052 [1,1,0,0,0,0|2,0,0]=4 725 B10R0.75 CC(C)C(=O)NCCCCO WXVL_AK0075SB0052 [1,1,0,0,0,0|2,0,0]=4 726 B10R0.75 CC(S)C(=O)NCCCCO WXVL_AK0075SB2708 [1,1,0,0,0,0|2,0,0]=4 727 B10R0.75 CC(S)C(=O)NCCCCO WXVL_AK0075SB2708 [1,1,0,0,0,0|2,0,0]=4 728 B10R0.75 CCCCCNC(=O)C(=O)C WXVL_AK0076SB0051 [1,1,0,0,0,0|1,0,1]=4 729 B10R0.75 CCCCCNC(=O)C(=O)C WXVL_AK0076SB0051 [1,1,0,0,0,0|1,0,1]=4 730 B10R0.75 CCCCCNC(=O)C(C)C WXVL_AK0076SB0052 [1,1,0,0,0,0|1,0,0]=3 731 B10R0.75 CCCCCNC(=O)C(C)C WXVL_AK0076SB0052 [1,1,0,0,0,0|1,0,0]=3 732 B10R0.75 CCCCCNC(=O)C(C)S WXVL_AK0076SB2708 [1,1,0,0,0,0|1,0,0]=3 733 B10R0.75 CCCCCNC(=O)C(C)S WXVL_AK0076SB2708 [1,1,0,0,0,0|1,0,0]=3 734 B10R0.75 CCCCCNC(=O)C(F)F WXVL_AK0076SB0079 [1,1,0,0,0,0|2,0,0]=4 735 B10R0.75 CCCCCNC(=O)C(F)F WXVL_AK0076SB0079 [1,1,0,0,0,0|2,0,0]=4 736 B10R0.75 CCCCCNC(=O)[C@@H](C)O WXVL_AK0076SB1085 [1,1,0,0,0,0|1,0,0]=3 737 B10R0.75 CCCCCNC(=O)[C@@H](C)O WXVL_AK0076SB1085 [1,1,0,0,0,0|1,0,0]=3 738 B10R0.75 CCSCCNC(=O)C(C)C WXVL_AK00494SB0052 [1,1,0,0,0,0|2,0,0]=4 739 B10R0.75 CCSCCNC(=O)C(C)C WXVL_AK00494SB0052 [1,1,0,0,0,0|2,0,0]=4 740 B10R0.75 CCSCCNC(=O)C(C)S WXVL_AK00494SB2708 [1,1,0,0,0,0|2,0,0]=4 741 B10R0.75 CCSCCNC(=O)C(C)S WXVL_AK00494SB2708 [1,1,0,0,0,0|2,0,0]=4 742 B10R0.75 CCSCCNC(=O)[C@@H](C)O WXVL_AK00494SB1085 [1,1,0,0,0,0|2,0,0]=4 743 B10R0.75 CCSCCNC(=O)[C@@H](C)O WXVL_AK00494SB1085 [1,1,0,0,0,0|2,0,0]=4 744 B10R0.75 COCCCNC(=O)C(C)C WXVL_AK00637SB0052 [1,1,0,0,0,0|2,0,0]=4 745 B10R0.75 COCCCNC(=O)C(C)C WXVL_AK00637SB0052 [1,1,0,0,0,0|2,0,0]=4 746 B10R0.75 COCCCNC(=O)C(C)S WXVL_AK00637SB2708 [1,1,0,0,0,0|2,0,0]=4 747 B10R0.75 COCCCNC(=O)C(C)S WXVL_AK00637SB2708 [1,1,0,0,0,0|2,0,0]=4 748 B10R0.75 COCCCNC(=O)[C@@H](C)O WXVL_AK00637SB1085 [1,1,0,0,0,0|2,0,0]=4 749 B10R0.75 COCCCNC(=O)[C@@H](C)O WXVL_AK00637SB1085 [1,1,0,0,0,0|2,0,0]=4 750 B10R0.75 CSCCCNC(=O)C(C)C WXVL_AK0965SB0052 [1,1,0,0,0,0|2,0,0]=4 751 B10R0.75 CSCCCNC(=O)C(C)C WXVL_AK0965SB0052 [1,1,0,0,0,0|2,0,0]=4 752 B10R0.75 CSCCCNC(=O)C(C)S WXVL_AK0965SB2708 [1,1,0,0,0,0|2,0,0]=4 753 B10R0.75 CSCCCNC(=O)C(C)S WXVL_AK0965SB2708 [1,1,0,0,0,0|2,0,0]=4 754 B10R0.75 CSCCCNC(=O)[C@@H](C)O WXVL_AK0965SB1085 [1,1,0,0,0,0|2,0,0]=4 755 B10R0.75 CSCCCNC(=O)[C@@H](C)O WXVL_AK0965SB1085 [1,1,0,0,0,0|2,0,0]=4 756 B10R0.75 C[C@@H](O)C(=O)NCCCCO WXVL_AK0075SB1085 [1,1,0,0,0,0|2,0,0]=4 757 B10R0.75 C[C@@H](O)C(=O)NCCCCO WXVL_AK0075SB1085 [1,1,0,0,0,0|2,0,0]=4 758 B12R0.4 C#CCCCCNC(=O)CC(C)C WXVL_AK00614SB0063 [0,2,0,0,0,0|1,0,1]=4 759 B12R0.4 C#CCCCCNC(=O)CC(C)C WXVL_AK00614SB0063 [0,2,0,0,0,0|1,0,1]=4 760 B12R0.4 C#CCCCCNC(=O)CC(C)O WXVL_AK00614SB3643 [0,2,0,0,0,0|1,0,1]=4 761 B12R0.4 C#CCCCCNC(=O)CC(C)O WXVL_AK00614SB3643 [0,2,0,0,0,0|1,0,1]=4 762 B12R0.4 CC(C)CC(=O)NCCCCCO WXVL_AK0077SB0063 [0,2,0,0,0,0|1,0,0]=3 763 B12R0.4 CC(C)CC(=O)NCCCCCO WXVL_AK0077SB0063 [0,2,0,0,0,0|1,0,0]=3 764 B12R0.4 CC(C)CC(=O)NCCNCCO WXVL_AK0954SB0063 [0,2,0,0,0,0|2,0,0]=4 765 B12R0.4 CC(C)CC(=O)NCCNCCO WXVL_AK0954SB0063 [0,2,0,0,0,0|2,0,0]=4 766 B12R0.4 CC(C)NC(=O)CCCCCCBr WXVL_AK0030SB1386 [0,2,0,0,0,0|2,0,0]=4 767 B12R0.4 CC(C)NC(=O)CCCCCCBr WXVL_AK0030SB1386 [0,2,0,0,0,0|2,0,0]=4 768 B12R0.4 CC(O)CC(=O)NCCCCCO WXVL_AK0077SB3643 [0,2,0,0,0,0|1,0,0]=3 769 B12R0.4 CC(O)CC(=O)NCCCCCO WXVL_AK0077SB3643 [0,2,0,0,0,0|1,0,0]=3 770 B12R0.4 CC(O)CC(=O)NCCNCCO WXVL_AK0954SB3643 [0,2,0,0,0,0|2,0,0]=4 771 B12R0.4 CC(O)CC(=O)NCCNCCO WXVL_AK0954SB3643 [0,2,0,0,0,0|2,0,0]=4 772 B12R0.4 CCCCC/C=C/C(=O)NC(C)C WXVL_AK0030SB3331 [0,2,0,0,0,0|2,0,0]=4 773 B12R0.4 CCCCC/C=C/C(=O)NC(C)C WXVL_AK0030SB3331 [0,2,0,0,0,0|2,0,0]=4 774 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [0,2,0,0,0,0|2,0,0]=4 775 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [0,2,0,0,0,0|2,0,0]=4 776 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [0,2,0,0,0,0|1,0,0]=3 777 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [0,2,0,0,0,0|1,0,0]=3 778 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [0,2,0,0,0,0|1,0,0]=3 779 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [0,2,0,0,0,0|1,0,0]=3 780 B12R0.4 CCCCCCNC(=O)CN(C)C WXVL_AK0286SB0085 [0,2,0,0,0,0|2,0,0]=4 781 B12R0.4 CCCCCCNC(=O)CN(C)C WXVL_AK0286SB0085 [0,2,0,0,0,0|2,0,0]=4 782 B12R0.4 CCOCCCNC(=O)CC(C)C WXVL_AK0072SB0063 [0,2,0,0,0,0|1,0,0]=3 783 B12R0.4 CCOCCCNC(=O)CC(C)C WXVL_AK0072SB0063 [0,2,0,0,0,0|1,0,0]=3 784 B12R0.4 CCOCCCNC(=O)CC(C)O WXVL_AK0072SB3643 [0,2,0,0,0,0|1,0,0]=3 785 B12R0.4 CCOCCCNC(=O)CC(C)O WXVL_AK0072SB3643 [0,2,0,0,0,0|1,0,0]=3 786 B12R0.4 CCOCCCNC(=O)CN(C)C WXVL_AK0072SB0085 [0,2,0,0,0,0|2,0,0]=4 787 B12R0.4 CCOCCCNC(=O)CN(C)C WXVL_AK0072SB0085 [0,2,0,0,0,0|2,0,0]=4 788 B12R0.4 CN(C)CC(=O)NCCCCCO WXVL_AK0077SB0085 [0,2,0,0,0,0|2,0,0]=4 789 B12R0.4 CN(C)CC(=O)NCCCCCO WXVL_AK0077SB0085 [0,2,0,0,0,0|2,0,0]=4 790 B12R0.46 CC(C)C(O)C(=O)NCCCCO WXVL_AK0075SB1147 [0,2,0,0,0,0|2,0,0]=4 791 B12R0.46 CC(C)C(O)C(=O)NCCCCO WXVL_AK0075SB1147 [0,2,0,0,0,0|2,0,0]=4 792 B12R0.46 CCCCCNC(=O)C(=O)C(C)C WXVL_AK0076SB2578 [0,2,0,0,0,0|1,0,1]=4 793 B12R0.46 CCCCCNC(=O)C(=O)C(C)C WXVL_AK0076SB2578 [0,2,0,0,0,0|1,0,1]=4 794 B12R0.46 CCCCCNC(=O)C(O)C(C)C WXVL_AK0076SB1147 [0,2,0,0,0,0|1,0,0]=3 795 B12R0.46 CCCCCNC(=O)C(O)C(C)C WXVL_AK0076SB1147 [0,2,0,0,0,0|1,0,0]=3 796 B12R0.46 CCSCCNC(=O)C(O)C(C)C WXVL_AK00494SB1147 [0,2,0,0,0,0|2,0,0]=4 797 B12R0.46 CCSCCNC(=O)C(O)C(C)C WXVL_AK00494SB1147 [0,2,0,0,0,0|2,0,0]=4 798 B12R0.46 COCCCNC(=O)C(O)C(C)C WXVL_AK00637SB1147 [0,2,0,0,0,0|2,0,0]=4 799 B12R0.46 COCCCNC(=O)C(O)C(C)C WXVL_AK00637SB1147 [0,2,0,0,0,0|2,0,0]=4 800 B12R0.46 CSCCCNC(=O)C(O)C(C)C WXVL_AK0965SB1147 [0,2,0,0,0,0|2,0,0]=4 801 B12R0.46 CSCCCNC(=O)C(O)C(C)C WXVL_AK0965SB1147 [0,2,0,0,0,0|2,0,0]=4 802 B12R0.113 CCC(C)CC(=O)NCCCCO WXVL_AK0075SB0353 [0,2,0,0,0,0|2,0,0]=4 803 B12R0.113 CCC(C)CC(=O)NCCCCO WXVL_AK0075SB0353 [0,2,0,0,0,0|2,0,0]=4 804 B12R0.113 CCC(C)CC(=O)NCCCOC WXVL_AK00637SB0353 [0,2,0,0,0,0|2,0,0]=4 805 B12R0.113 CCC(C)CC(=O)NCCCOC WXVL_AK00637SB0353 [0,2,0,0,0,0|2,0,0]=4 806 B12R0.113 CCC(C)CC(=O)NCCCSC WXVL_AK0965SB0353 [0,2,0,0,0,0|2,0,0]=4 807 B12R0.113 CCC(C)CC(=O)NCCCSC WXVL_AK0965SB0353 [0,2,0,0,0,0|2,0,0]=4 808 B12R0.113 CCC(O)CC(=O)NCCCCO WXVL_AK0075SB4092 [0,2,0,0,0,0|2,0,0]=4 809 B12R0.113 CCC(O)CC(=O)NCCCCO WXVL_AK0075SB4092 [0,2,0,0,0,0|2,0,0]=4 810 B12R0.113 CCC(O)CC(=O)NCCCOC WXVL_AK00637SB4092 [0,2,0,0,0,0|2,0,0]=4 811 B12R0.113 CCC(O)CC(=O)NCCCOC WXVL_AK00637SB4092 [0,2,0,0,0,0|2,0,0]=4 812 B12R0.113 CCC(O)CC(=O)NCCCSC WXVL_AK0965SB4092 [0,2,0,0,0,0|2,0,0]=4 813 B12R0.113 CCC(O)CC(=O)NCCCSC WXVL_AK0965SB4092 [0,2,0,0,0,0|2,0,0]=4 814 B12R0.113 CCCCCNC(=O)CC(=O)OC WXVL_AK0076SB2790 [0,2,0,0,0,0|1,0,1]=4 815 B12R0.113 CCCCCNC(=O)CC(=O)OC WXVL_AK0076SB2790 [0,2,0,0,0,0|1,0,1]=4 816 B12R0.113 CCCCCNC(=O)CC(C)CC WXVL_AK0076SB0353 [0,2,0,0,0,0|1,0,0]=3 817 B12R0.113 CCCCCNC(=O)CC(C)CC WXVL_AK0076SB0353 [0,2,0,0,0,0|1,0,0]=3 818 B12R0.113 CCCCCNC(=O)CC(O)CC WXVL_AK0076SB4092 [0,2,0,0,0,0|1,0,0]=3 819 B12R0.113 CCCCCNC(=O)CC(O)CC WXVL_AK0076SB4092 [0,2,0,0,0,0|1,0,0]=3 820 B12R0.113 CCCCCNC(=O)C[C@H](C)CC WXVL_AK0076SB8650 [0,2,0,0,0,0|1,0,0]=3 821 B12R0.113 CCCCCNC(=O)C[C@H](C)CC WXVL_AK0076SB8650 [0,2,0,0,0,0|1,0,0]=3 822 B12R0.113 CCSCCNC(=O)CC(C)CC WXVL_AK00494SB0353 [0,2,0,0,0,0|2,0,0]=4 823 B12R0.113 CCSCCNC(=O)CC(C)CC WXVL_AK00494SB0353 [0,2,0,0,0,0|2,0,0]=4 824 B12R0.113 CCSCCNC(=O)CC(O)CC WXVL_AK00494SB4092 [0,2,0,0,0,0|2,0,0]=4 825 B12R0.113 CCSCCNC(=O)CC(O)CC WXVL_AK00494SB4092 [0,2,0,0,0,0|2,0,0]=4 826 B12R0.113 CCSCCNC(=O)C[C@H](C)CC WXVL_AK00494SB8650 [0,2,0,0,0,0|2,0,0]=4 827 B12R0.113 CCSCCNC(=O)C[C@H](C)CC WXVL_AK00494SB8650 [0,2,0,0,0,0|2,0,0]=4 828 B12R0.113 CC[C@@H](C)CC(=O)NCCCCO WXVL_AK0075SB8650 [0,2,0,0,0,0|2,0,0]=4 829 B12R0.113 CC[C@@H](C)CC(=O)NCCCCO WXVL_AK0075SB8650 [0,2,0,0,0,0|2,0,0]=4 830 B12R0.113 CC[C@@H](C)CC(=O)NCCCOC WXVL_AK00637SB8650 [0,2,0,0,0,0|2,0,0]=4 831 B12R0.113 CC[C@@H](C)CC(=O)NCCCOC WXVL_AK00637SB8650 [0,2,0,0,0,0|2,0,0]=4 832 B12R0.113 CC[C@@H](C)CC(=O)NCCCSC WXVL_AK0965SB8650 [0,2,0,0,0,0|2,0,0]=4 833 B12R0.113 CC[C@@H](C)CC(=O)NCCCSC WXVL_AK0965SB8650 [0,2,0,0,0,0|2,0,0]=4 834 B12R0.113 CC[C@H](C)NC(=O)CCCCCBr WXVL_AK00678SB2192 [0,2,0,0,0,0|2,0,0]=4 835 B12R0.113 CC[C@H](C)NC(=O)CCCCCBr WXVL_AK00678SB2192 [0,2,0,0,0,0|2,0,0]=4 836 B12R0.113 CC[C@H](C)NC(=O)CCCCCO WXVL_AK00678SB2973 [0,2,0,0,0,0|2,0,0]=4 837 B12R0.113 CC[C@H](C)NC(=O)CCCCCO WXVL_AK00678SB2973 [0,2,0,0,0,0|2,0,0]=4 838 B12R0.125 CC(C)(C)CC(=O)NCCCCO WXVL_AK0075SB0062 [0,2,0,0,0,0|2,0,0]=4 839 B12R0.125 CC(C)(C)CC(=O)NCCCCO WXVL_AK0075SB0062 [0,2,0,0,0,0|2,0,0]=4 840 B12R0.125 CC(C)(O)CC(=O)NCCCCO WXVL_AK0075SB0163 [0,2,0,0,0,0|2,0,0]=4 841 B12R0.125 CC(C)(O)CC(=O)NCCCCO WXVL_AK0075SB0163 [0,2,0,0,0,0|2,0,0]=4 842 B12R0.125 CCCCCNC(=O)CC(C)(C)C WXVL_AK0076SB0062 [0,2,0,0,0,0|1,0,0]=3 843 B12R0.125 CCCCCNC(=O)CC(C)(C)C WXVL_AK0076SB0062 [0,2,0,0,0,0|1,0,0]=3 844 B12R0.125 CCCCCNC(=O)CC(C)(C)O WXVL_AK0076SB0163 [0,2,0,0,0,0|1,0,0]=3 845 B12R0.125 CCCCCNC(=O)CC(C)(C)O WXVL_AK0076SB0163 [0,2,0,0,0,0|1,0,0]=3 846 B12R0.125 CCCCCNC(=O)CC(F)(F)F WXVL_AK0076SB0177 [0,2,0,0,0,0|2,0,0]=4 847 B12R0.125 CCCCCNC(=O)CC(F)(F)F WXVL_AK0076SB0177 [0,2,0,0,0,0|2,0,0]=4 848 B12R0.125 CCCCCNC(=O)CS(=O)(=O)C WXVL_AK0076SB0162 [0,2,0,0,0,0|2,0,0]=4 849 B12R0.125 CCCCCNC(=O)CS(=O)(=O)C WXVL_AK0076SB0162 [0,2,0,0,0,0|2,0,0]=4 850 B12R0.125 CCSCCNC(=O)CC(C)(C)C WXVL_AK00494SB0062 [0,2,0,0,0,0|2,0,0]=4 851 B12R0.125 CCSCCNC(=O)CC(C)(C)C WXVL_AK00494SB0062 [0,2,0,0,0,0|2,0,0]=4 852 B12R0.125 CCSCCNC(=O)CC(C)(C)O WXVL_AK00494SB0163 [0,2,0,0,0,0|2,0,0]=4 853 B12R0.125 CCSCCNC(=O)CC(C)(C)O WXVL_AK00494SB0163 [0,2,0,0,0,0|2,0,0]=4 854 B12R0.125 COCCCNC(=O)CC(C)(C)C WXVL_AK00637SB0062 [0,2,0,0,0,0|2,0,0]=4 855 B12R0.125 COCCCNC(=O)CC(C)(C)C WXVL_AK00637SB0062 [0,2,0,0,0,0|2,0,0]=4 856 B12R0.125 COCCCNC(=O)CC(C)(C)O WXVL_AK00637SB0163 [0,2,0,0,0,0|2,0,0]=4 857 B12R0.125 COCCCNC(=O)CC(C)(C)O WXVL_AK00637SB0163 [0,2,0,0,0,0|2,0,0]=4 858 B12R0.125 CSCCCNC(=O)CC(C)(C)C WXVL_AK0965SB0062 [0,2,0,0,0,0|2,0,0]=4 859 B12R0.125 CSCCCNC(=O)CC(C)(C)C WXVL_AK0965SB0062 [0,2,0,0,0,0|2,0,0]=4 860 B12R0.125 CSCCCNC(=O)CC(C)(C)O WXVL_AK0965SB0163 [0,2,0,0,0,0|2,0,0]=4 861 B12R0.125 CSCCCNC(=O)CC(C)(C)O WXVL_AK0965SB0163 [0,2,0,0,0,0|2,0,0]=4 862 B12R0.141 CCCCCC(C)C(=O)NC(C)C WXVL_AK0030SB0394 [0,2,0,0,0,0|2,0,0]=4 863 B12R0.141 CCCCCC(C)C(=O)NC(C)C WXVL_AK0030SB0394 [0,2,0,0,0,0|2,0,0]=4 864 B12R0.241 CC(C)CC(=O)NCCC(C)CO WXVL_AK4143SB0063 [0,2,0,0,0,0|2,0,0]=4 865 B12R0.241 CC(C)CC(=O)NCCC(C)CO WXVL_AK4143SB0063 [0,2,0,0,0,0|2,0,0]=4 866 B12R0.241 CC(O)CC(=O)NCCC(C)CO WXVL_AK4143SB3643 [0,2,0,0,0,0|2,0,0]=4 867 B12R0.241 CC(O)CC(=O)NCCC(C)CO WXVL_AK4143SB3643 [0,2,0,0,0,0|2,0,0]=4 868 B12R0.270 CC(C)CC(=O)NCCOC(C)C WXVL_AK0128SB0063 [0,2,0,0,0,0|2,0,0]=4 869 B12R0.270 CC(C)CC(=O)NCCOC(C)C WXVL_AK0128SB0063 [0,2,0,0,0,0|2,0,0]=4 870 B12R0.270 CC(O)CC(=O)NCCOC(C)C WXVL_AK0128SB3643 [0,2,0,0,0,0|2,0,0]=4 871 B12R0.270 CC(O)CC(=O)NCCOC(C)C WXVL_AK0128SB3643 [0,2,0,0,0,0|2,0,0]=4 872 B12R0.598 CCCCCNS(=O)(=O)CC(C)C WXVL_AK0076HU0149 [0,2,0,0,0,0|2,0,0]=4 873 B12R0.598 CCCCCNS(=O)(=O)CC(C)C WXVL_AK0076HU0149 [0,2,0,0,0,0|2,0,0]=4 874 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,2,0,0,0,0|1,0,0]=3 875 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,2,0,0,0,0|1,0,0]=3 876 B12R0.1 CCCC(=O)NCCOCCOC WXVL_AK2206SB0073 [0,2,0,0,0,0|1,0,0]=3 877 B12R0.1 CCCC(=O)NCCOCCOC WXVL_AK2206SB0073 [0,2,0,0,0,0|1,0,0]=3 878 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,2,0,0,0,0|2,0,0]=4 879 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,2,0,0,0,0|2,0,0]=4 880 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,2,0,0,0,0|1,0,0]=3 881 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,2,0,0,0,0|1,0,0]=3 882 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,2,0,0,0,0|2,0,0]=4 883 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,2,0,0,0,0|2,0,0]=4 884 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,2,0,0,0,0|2,0,0]=4 885 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,2,0,0,0,0|2,0,0]=4 886 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,2,0,0,0,0|2,0,0]=4 887 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,2,0,0,0,0|2,0,0]=4 888 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,2,0,0,0,0|2,0,0]=4 889 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,2,0,0,0,0|2,0,0]=4 890 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,2,0,0,0,0|2,0,0]=4 891 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,2,0,0,0,0|2,0,0]=4 892 B12R0.1 COCCOCCNC(=O)COC WXVL_AK2206SB0090 [0,2,0,0,0,0|2,0,0]=4 893 B12R0.1 COCCOCCNC(=O)COC WXVL_AK2206SB0090 [0,2,0,0,0,0|2,0,0]=4 894 B12R0.1 COCCOCCNC(=O)CSC WXVL_AK2206SB1267 [0,2,0,0,0,0|2,0,0]=4 895 B12R0.1 COCCOCCNC(=O)CSC WXVL_AK2206SB1267 [0,2,0,0,0,0|2,0,0]=4 896 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,2,0,0,0,0|2,0,0]=4 897 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,2,0,0,0,0|2,0,0]=4 898 B12R0.49 C#CCCCCNC(=O)C(C)CC WXVL_AK00614SB0054 [0,2,0,0,0,0|1,0,1]=4 899 B12R0.49 C#CCCCCNC(=O)C(C)CC WXVL_AK00614SB0054 [0,2,0,0,0,0|1,0,1]=4 900 B12R0.49 C#CCCCCNC(=O)[C@@H](O)CC WXVL_AK00614SB3573 [0,2,0,0,0,0|1,0,1]=4 901 B12R0.49 C#CCCCCNC(=O)[C@@H](O)CC WXVL_AK00614SB3573 [0,2,0,0,0,0|1,0,1]=4 902 B12R0.49 C#CCCCCNC(=O)[C@H](C)CC WXVL_AK00614SB00054 [0,2,0,0,0,0|1,0,1]=4 903 B12R0.49 C#CCCCCNC(=O)[C@H](C)CC WXVL_AK00614SB00054 [0,2,0,0,0,0|1,0,1]=4 904 B12R0.49 CCC(=O)C(=O)NCCCCCO WXVL_AK0077SB0344 [0,2,0,0,0,0|1,0,1]=4 905 B12R0.49 CCC(=O)C(=O)NCCCCCO WXVL_AK0077SB0344 [0,2,0,0,0,0|1,0,1]=4 906 B12R0.49 CCC(C)C(=O)NCCCCCO WXVL_AK0077SB0054 [0,2,0,0,0,0|1,0,0]=3 907 B12R0.49 CCC(C)C(=O)NCCCCCO WXVL_AK0077SB0054 [0,2,0,0,0,0|1,0,0]=3 908 B12R0.49 CCC(C)C(=O)NCCNCCO WXVL_AK0954SB0054 [0,2,0,0,0,0|2,0,0]=4 909 B12R0.49 CCC(C)C(=O)NCCNCCO WXVL_AK0954SB0054 [0,2,0,0,0,0|2,0,0]=4 910 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,2,0,0,0,0|1,0,1]=4 911 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,2,0,0,0,0|1,0,1]=4 912 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [0,2,0,0,0,0|1,0,0]=3 913 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [0,2,0,0,0,0|1,0,0]=3 914 B12R0.49 CCCCCCNC(=O)[C@@H](C)OC WXVL_AK0286SB2926 [0,2,0,0,0,0|2,0,0]=4 915 B12R0.49 CCCCCCNC(=O)[C@@H](C)OC WXVL_AK0286SB2926 [0,2,0,0,0,0|2,0,0]=4 916 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [0,2,0,0,0,0|1,0,0]=3 917 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [0,2,0,0,0,0|1,0,0]=3 918 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [0,2,0,0,0,0|1,0,0]=3 919 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [0,2,0,0,0,0|1,0,0]=3 920 B12R0.49 CCOCCCNC(=O)C(=O)CC WXVL_AK0072SB0344 [0,2,0,0,0,0|1,0,1]=4 921 B12R0.49 CCOCCCNC(=O)C(=O)CC WXVL_AK0072SB0344 [0,2,0,0,0,0|1,0,1]=4 922 B12R0.49 CCOCCCNC(=O)C(C)CC WXVL_AK0072SB0054 [0,2,0,0,0,0|1,0,0]=3 923 B12R0.49 CCOCCCNC(=O)C(C)CC WXVL_AK0072SB0054 [0,2,0,0,0,0|1,0,0]=3 924 B12R0.49 CCOCCCNC(=O)[C@@H](C)OC WXVL_AK0072SB2926 [0,2,0,0,0,0|2,0,0]=4 925 B12R0.49 CCOCCCNC(=O)[C@@H](C)OC WXVL_AK0072SB2926 [0,2,0,0,0,0|2,0,0]=4 926 B12R0.49 CCOCCCNC(=O)[C@@H](O)CC WXVL_AK0072SB3573 [0,2,0,0,0,0|1,0,0]=3 927 B12R0.49 CCOCCCNC(=O)[C@@H](O)CC WXVL_AK0072SB3573 [0,2,0,0,0,0|1,0,0]=3 928 B12R0.49 CCOCCCNC(=O)[C@H](C)CC WXVL_AK0072SB00054 [0,2,0,0,0,0|1,0,0]=3 929 B12R0.49 CCOCCCNC(=O)[C@H](C)CC WXVL_AK0072SB00054 [0,2,0,0,0,0|1,0,0]=3 930 B12R0.49 CC[C@@H](C)C(=O)NCCCCCO WXVL_AK0077SB00054 [0,2,0,0,0,0|1,0,0]=3 931 B12R0.49 CC[C@@H](C)C(=O)NCCCCCO WXVL_AK0077SB00054 [0,2,0,0,0,0|1,0,0]=3 932 B12R0.49 CC[C@@H](C)C(=O)NCCNCCO WXVL_AK0954SB00054 [0,2,0,0,0,0|2,0,0]=4 933 B12R0.49 CC[C@@H](C)C(=O)NCCNCCO WXVL_AK0954SB00054 [0,2,0,0,0,0|2,0,0]=4 934 B12R0.49 CC[C@H](O)C(=O)NCCCCCO WXVL_AK0077SB3573 [0,2,0,0,0,0|1,0,0]=3 935 B12R0.49 CC[C@H](O)C(=O)NCCCCCO WXVL_AK0077SB3573 [0,2,0,0,0,0|1,0,0]=3 936 B12R0.49 CC[C@H](O)C(=O)NCCNCCO WXVL_AK0954SB3573 [0,2,0,0,0,0|2,0,0]=4 937 B12R0.49 CC[C@H](O)C(=O)NCCNCCO WXVL_AK0954SB3573 [0,2,0,0,0,0|2,0,0]=4 938 B12R0.49 CO[C@H](C)C(=O)NCCCCCO WXVL_AK0077SB2926 [0,2,0,0,0,0|2,0,0]=4 939 B12R0.49 CO[C@H](C)C(=O)NCCCCCO WXVL_AK0077SB2926 [0,2,0,0,0,0|2,0,0]=4 940 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [0,2,0,0,0,0|2,0,0]=4 941 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [0,2,0,0,0,0|2,0,0]=4 942 B12R0.114 C=CCCCCN(C)C(=O)CCC WXVL_AN4222SB0073 [0,2,0,0,0,0|1,0,1]=4 943 B12R0.114 C=CCCCCN(C)C(=O)CCC WXVL_AN4222SB0073 [0,2,0,0,0,0|1,0,1]=4 944 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC WXVL_AK0076SB0037 [0,2,0,0,0,0|1,0,1]=4 945 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC WXVL_AK0076SB0037 [0,2,0,0,0,0|1,0,1]=4 946 B12R0.114 CCCC(C)C(=O)NCCCCO WXVL_AK0075SB0352 [0,2,0,0,0,0|2,0,0]=4 947 B12R0.114 CCCC(C)C(=O)NCCCCO WXVL_AK0075SB0352 [0,2,0,0,0,0|2,0,0]=4 948 B12R0.114 CCCC(C)C(=O)NCCCOC WXVL_AK00637SB0352 [0,2,0,0,0,0|2,0,0]=4 949 B12R0.114 CCCC(C)C(=O)NCCCOC WXVL_AK00637SB0352 [0,2,0,0,0,0|2,0,0]=4 950 B12R0.114 CCCC(C)C(=O)NCCCSC WXVL_AK0965SB0352 [0,2,0,0,0,0|2,0,0]=4 951 B12R0.114 CCCC(C)C(=O)NCCCSC WXVL_AK0965SB0352 [0,2,0,0,0,0|2,0,0]=4 952 B12R0.114 CCCC(C)C(=O)NCCSCC WXVL_AK00494SB0352 [0,2,0,0,0,0|2,0,0]=4 953 B12R0.114 CCCC(C)C(=O)NCCSCC WXVL_AK00494SB0352 [0,2,0,0,0,0|2,0,0]=4 954 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [0,2,0,0,0,0|1,0,1]=4 955 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [0,2,0,0,0,0|1,0,1]=4 956 B12R0.114 CCCCCNC(=O)C(C)CCC WXVL_AK0076SB0352 [0,2,0,0,0,0|1,0,0]=3 957 B12R0.114 CCCCCNC(=O)C(C)CCC WXVL_AK0076SB0352 [0,2,0,0,0,0|1,0,0]=3 958 B12R0.114 CCCCCNC(=O)[C@@H](O)CCC WXVL_AK0076SB3627 [0,2,0,0,0,0|1,0,0]=3 959 B12R0.114 CCCCCNC(=O)[C@@H](O)CCC WXVL_AK0076SB3627 [0,2,0,0,0,0|1,0,0]=3 960 B12R0.114 CCC[C@H](O)C(=O)NCCCCO WXVL_AK0075SB3627 [0,2,0,0,0,0|2,0,0]=4 961 B12R0.114 CCC[C@H](O)C(=O)NCCCCO WXVL_AK0075SB3627 [0,2,0,0,0,0|2,0,0]=4 962 B12R0.114 CCC[C@H](O)C(=O)NCCCOC WXVL_AK00637SB3627 [0,2,0,0,0,0|2,0,0]=4 963 B12R0.114 CCC[C@H](O)C(=O)NCCCOC WXVL_AK00637SB3627 [0,2,0,0,0,0|2,0,0]=4 964 B12R0.114 CCC[C@H](O)C(=O)NCCCSC WXVL_AK0965SB3627 [0,2,0,0,0,0|2,0,0]=4 965 B12R0.114 CCC[C@H](O)C(=O)NCCCSC WXVL_AK0965SB3627 [0,2,0,0,0,0|2,0,0]=4 966 B12R0.114 CCC[C@H](O)C(=O)NCCSCC WXVL_AK00494SB3627 [0,2,0,0,0,0|2,0,0]=4 967 B12R0.114 CCC[C@H](O)C(=O)NCCSCC WXVL_AK00494SB3627 [0,2,0,0,0,0|2,0,0]=4 968 B12R0.206 C#CCCC(=O)NCCCCCC WXVL_AK0286SB2189 [0,2,0,0,0,0|1,0,1]=4 969 B12R0.206 C#CCCC(=O)NCCCCCC WXVL_AK0286SB2189 [0,2,0,0,0,0|1,0,1]=4 970 B12R0.206 C#CCCC(=O)NCCCCCO WXVL_AK0077SB2189 [0,2,0,0,0,0|1,0,1]=4 971 B12R0.206 C#CCCC(=O)NCCCCCO WXVL_AK0077SB2189 [0,2,0,0,0,0|1,0,1]=4 972 B12R0.206 C#CCCC(=O)NCCCOCC WXVL_AK0072SB2189 [0,2,0,0,0,0|1,0,1]=4 973 B12R0.206 C#CCCC(=O)NCCCOCC WXVL_AK0072SB2189 [0,2,0,0,0,0|1,0,1]=4 974 B12R0.206 C#CCCCCNC(=O)CCOC WXVL_AK00614SB0156 [0,2,0,0,0,0|1,0,1]=4 975 B12R0.206 C#CCCCCNC(=O)CCOC WXVL_AK00614SB0156 [0,2,0,0,0,0|1,0,1]=4 976 B12R0.206 C#CCCCCNC(=O)CCSC WXVL_AK00614SB0361 [0,2,0,0,0,0|1,0,1]=4 977 B12R0.206 C#CCCCCNC(=O)CCSC WXVL_AK00614SB0361 [0,2,0,0,0,0|1,0,1]=4 978 B12R0.206 C#CCCCCNC(=O)COCC WXVL_AK00614SB0091 [0,2,0,0,0,0|1,0,1]=4 979 B12R0.206 C#CCCCCNC(=O)COCC WXVL_AK00614SB0091 [0,2,0,0,0,0|1,0,1]=4 980 B12R0.206 C#CCCCCNC(=O)CSCC WXVL_AK00614SB0002 [0,2,0,0,0,0|1,0,1]=4 981 B12R0.206 C#CCCCCNC(=O)CSCC WXVL_AK00614SB0002 [0,2,0,0,0,0|1,0,1]=4 982 B12R0.206 C=CCCC(=O)NCCCCCC WXVL_AK0286SB1035 [0,2,0,0,0,0|1,0,1]=4 983 B12R0.206 C=CCCC(=O)NCCCCCC WXVL_AK0286SB1035 [0,2,0,0,0,0|1,0,1]=4 984 B12R0.206 C=CCCC(=O)NCCCCCO WXVL_AK0077SB1035 [0,2,0,0,0,0|1,0,1]=4 985 B12R0.206 C=CCCC(=O)NCCCCCO WXVL_AK0077SB1035 [0,2,0,0,0,0|1,0,1]=4 986 B12R0.206 C=CCCC(=O)NCCCOCC WXVL_AK0072SB1035 [0,2,0,0,0,0|1,0,1]=4 987 B12R0.206 C=CCCC(=O)NCCCOCC WXVL_AK0072SB1035 [0,2,0,0,0,0|1,0,1]=4 988 B12R0.206 CCCCC/C=C/C(=O)NCCC WXVL_AK00504SB3331 [0,2,0,0,0,0|1,0,0]=3 989 B12R0.206 CCCCC/C=C/C(=O)NCCC WXVL_AK00504SB3331 [0,2,0,0,0,0|1,0,0]=3 990 B12R0.206 CCCCC/C=C/C(=O)NCCF WXVL_AK00466SB3331 [0,2,0,0,0,0|2,0,0]=4 991 B12R0.206 CCCCC/C=C/C(=O)NCCF WXVL_AK00466SB3331 [0,2,0,0,0,0|2,0,0]=4 992 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,2,0,0,0,0|1,0,0]=3 993 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,2,0,0,0,0|1,0,0]=3 994 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [0,2,0,0,0,0|2,0,0]=4 995 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [0,2,0,0,0,0|2,0,0]=4 996 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,2,0,0,0,0|1,0,0]=3 997 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,2,0,0,0,0|1,0,0]=3 998 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,2,0,0,0,0|1,0,0]=3 999 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,2,0,0,0,0|1,0,0]=3 1000 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,2,0,0,0,0|1,0,0]=3 1001 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,2,0,0,0,0|1,0,0]=3 1002 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [0,2,0,0,0,0|1,0,0]=3 1003 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [0,2,0,0,0,0|1,0,0]=3 1004 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [0,2,0,0,0,0|2,0,0]=4 1005 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [0,2,0,0,0,0|2,0,0]=4 1006 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [0,2,0,0,0,0|1,0,0]=3 1007 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [0,2,0,0,0,0|1,0,0]=3 1008 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [0,2,0,0,0,0|1,0,0]=3 1009 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [0,2,0,0,0,0|1,0,0]=3 1010 B12R0.206 CCOCC(=O)NCCNCCO WXVL_AK0954SB0091 [0,2,0,0,0,0|2,0,0]=4 1011 B12R0.206 CCOCC(=O)NCCNCCO WXVL_AK0954SB0091 [0,2,0,0,0,0|2,0,0]=4 1012 B12R0.206 CCOCCCNC(=O)CCOC WXVL_AK0072SB0156 [0,2,0,0,0,0|1,0,0]=3 1013 B12R0.206 CCOCCCNC(=O)CCOC WXVL_AK0072SB0156 [0,2,0,0,0,0|1,0,0]=3 1014 B12R0.206 CCOCCCNC(=O)CCSC WXVL_AK0072SB0361 [0,2,0,0,0,0|1,0,0]=3 1015 B12R0.206 CCOCCCNC(=O)CCSC WXVL_AK0072SB0361 [0,2,0,0,0,0|1,0,0]=3 1016 B12R0.206 CCOCCCNC(=O)COCC WXVL_AK0072SB0091 [0,2,0,0,0,0|1,0,0]=3 1017 B12R0.206 CCOCCCNC(=O)COCC WXVL_AK0072SB0091 [0,2,0,0,0,0|1,0,0]=3 1018 B12R0.206 CCOCCCNC(=O)CSCC WXVL_AK0072SB0002 [0,2,0,0,0,0|1,0,0]=3 1019 B12R0.206 CCOCCCNC(=O)CSCC WXVL_AK0072SB0002 [0,2,0,0,0,0|1,0,0]=3 1020 B12R0.206 CCOCCCNC(=O)NCCCl WXVL_AK0072YV0092 [0,2,0,0,0,0|2,0,0]=4 1021 B12R0.206 CCOCCCNC(=O)NCCCl WXVL_AK0072YV0092 [0,2,0,0,0,0|2,0,0]=4 1022 B12R0.206 CCSCC(=O)NCCCCCO WXVL_AK0077SB0002 [0,2,0,0,0,0|1,0,0]=3 1023 B12R0.206 CCSCC(=O)NCCCCCO WXVL_AK0077SB0002 [0,2,0,0,0,0|1,0,0]=3 1024 B12R0.206 CCSCC(=O)NCCNCCO WXVL_AK0954SB0002 [0,2,0,0,0,0|2,0,0]=4 1025 B12R0.206 CCSCC(=O)NCCNCCO WXVL_AK0954SB0002 [0,2,0,0,0,0|2,0,0]=4 1026 B12R0.206 COCCC(=O)NCCCCCO WXVL_AK0077SB0156 [0,2,0,0,0,0|1,0,0]=3 1027 B12R0.206 COCCC(=O)NCCCCCO WXVL_AK0077SB0156 [0,2,0,0,0,0|1,0,0]=3 1028 B12R0.206 COCCC(=O)NCCNCCO WXVL_AK0954SB0156 [0,2,0,0,0,0|2,0,0]=4 1029 B12R0.206 COCCC(=O)NCCNCCO WXVL_AK0954SB0156 [0,2,0,0,0,0|2,0,0]=4 1030 B12R0.206 CSCCC(=O)NCCCCCO WXVL_AK0077SB0361 [0,2,0,0,0,0|1,0,0]=3 1031 B12R0.206 CSCCC(=O)NCCCCCO WXVL_AK0077SB0361 [0,2,0,0,0,0|1,0,0]=3 1032 B12R0.206 CSCCC(=O)NCCNCCO WXVL_AK0954SB0361 [0,2,0,0,0,0|2,0,0]=4 1033 B12R0.206 CSCCC(=O)NCCNCCO WXVL_AK0954SB0361 [0,2,0,0,0,0|2,0,0]=4 1034 B12R0.206 O=C(CCCCCCBr)NCCF WXVL_AK00466SB1386 [0,2,0,0,0,0|2,0,0]=4 1035 B12R0.206 O=C(CCCCCCBr)NCCF WXVL_AK00466SB1386 [0,2,0,0,0,0|2,0,0]=4 1036 B12R0.206 O=C(NCCCl)NCCCCCO WXVL_AK0077YV0092 [0,2,0,0,0,0|2,0,0]=4 1037 B12R0.206 O=C(NCCCl)NCCCCCO WXVL_AK0077YV0092 [0,2,0,0,0,0|2,0,0]=4 1038 B12R0.276 CCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0073 [0,2,0,0,0,0|1,0,1]=4 1039 B12R0.276 CCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0073 [0,2,0,0,0,0|1,0,1]=4 1040 B12R0.277 CCCC(=O)NCCCCN(C)C WXVL_AK0097SB0073 [0,2,0,0,0,0|1,0,0]=3 1041 B12R0.277 CCCC(=O)NCCCCN(C)C WXVL_AK0097SB0073 [0,2,0,0,0,0|1,0,0]=3 1042 B12R0.277 COCC(=O)NCCCCN(C)C WXVL_AK0097SB0090 [0,2,0,0,0,0|2,0,0]=4 1043 B12R0.277 COCC(=O)NCCCCN(C)C WXVL_AK0097SB0090 [0,2,0,0,0,0|2,0,0]=4 1044 B12R0.277 CSCC(=O)NCCCCN(C)C WXVL_AK0097SB1267 [0,2,0,0,0,0|2,0,0]=4 1045 B12R0.277 CSCC(=O)NCCCCN(C)C WXVL_AK0097SB1267 [0,2,0,0,0,0|2,0,0]=4 1046 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,2,0,0,0,0|1,0,1]=4 1047 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,2,0,0,0,0|1,0,1]=4 1048 B12R0.285 CCCC(=O)NCCN(C)CCN WXVL_AK4182SB0073 [0,2,0,0,0,0|2,0,0]=4 1049 B12R0.285 CCCC(=O)NCCN(C)CCN WXVL_AK4182SB0073 [0,2,0,0,0,0|2,0,0]=4 1050 B12R0.434 CCCCCCNS(=O)(=O)CCC WXVL_AK0286HU0030 [0,2,0,0,0,0|2,0,0]=4 1051 B12R0.434 CCCCCCNS(=O)(=O)CCC WXVL_AK0286HU0030 [0,2,0,0,0,0|2,0,0]=4 1052 B12R0.434 CCCS(=O)(=O)NCCCCCO WXVL_AK0077HU0030 [0,2,0,0,0,0|2,0,0]=4 1053 B12R0.434 CCCS(=O)(=O)NCCCCCO WXVL_AK0077HU0030 [0,2,0,0,0,0|2,0,0]=4 1054 B12R0.434 CCCS(=O)(=O)NCCCOCC WXVL_AK0072HU0030 [0,2,0,0,0,0|2,0,0]=4 1055 B12R0.434 CCCS(=O)(=O)NCCCOCC WXVL_AK0072HU0030 [0,2,0,0,0,0|2,0,0]=4 1056 B12R0.607 CCCC(=O)N[C@H](CO)CCSC WXVL_AK1021SB0073 [0,2,0,0,0,0|2,0,0]=4 1057 B12R0.607 CCCC(=O)N[C@H](CO)CCSC WXVL_AK1021SB0073 [0,2,0,0,0,0|2,0,0]=4 1058 B12R0.607 CCCC[C@H](CO)NC(=O)CCC WXVL_AK00635SB0073 [0,2,0,0,0,0|1,0,0]=3 1059 B12R0.607 CCCC[C@H](CO)NC(=O)CCC WXVL_AK00635SB0073 [0,2,0,0,0,0|1,0,0]=3 1060 B12R0.607 CCCC[C@H](CO)NC(=O)COC WXVL_AK00635SB0090 [0,2,0,0,0,0|2,0,0]=4 1061 B12R0.607 CCCC[C@H](CO)NC(=O)COC WXVL_AK00635SB0090 [0,2,0,0,0,0|2,0,0]=4 1062 B12R0.607 CCCC[C@H](CO)NC(=O)CSC WXVL_AK00635SB1267 [0,2,0,0,0,0|2,0,0]=4 1063 B12R0.607 CCCC[C@H](CO)NC(=O)CSC WXVL_AK00635SB1267 [0,2,0,0,0,0|2,0,0]=4 1064 B12R0.47 C#CCCCC(=O)NCCCCC WXVL_AK0076SB2709 [0,2,0,0,0,0|1,0,0]=3 1065 B12R0.47 C#CCCCC(=O)NCCCCC WXVL_AK0076SB2709 [0,2,0,0,0,0|1,0,0]=3 1066 B12R0.47 C#CCCCC(=O)NCCCCO WXVL_AK0075SB2709 [0,2,0,0,0,0|2,0,0]=4 1067 B12R0.47 C#CCCCC(=O)NCCCCO WXVL_AK0075SB2709 [0,2,0,0,0,0|2,0,0]=4 1068 B12R0.47 C#CCCCC(=O)NCCCOC WXVL_AK00637SB2709 [0,2,0,0,0,0|2,0,0]=4 1069 B12R0.47 C#CCCCC(=O)NCCCOC WXVL_AK00637SB2709 [0,2,0,0,0,0|2,0,0]=4 1070 B12R0.47 C#CCCCC(=O)NCCCSC WXVL_AK0965SB2709 [0,2,0,0,0,0|2,0,0]=4 1071 B12R0.47 C#CCCCC(=O)NCCCSC WXVL_AK0965SB2709 [0,2,0,0,0,0|2,0,0]=4 1072 B12R0.47 C#CCCCC(=O)NCCSCC WXVL_AK00494SB2709 [0,2,0,0,0,0|2,0,0]=4 1073 B12R0.47 C#CCCCC(=O)NCCSCC WXVL_AK00494SB2709 [0,2,0,0,0,0|2,0,0]=4 1074 B12R0.47 C=CCCCC(=O)NCCCCC WXVL_AK0076SB2920 [0,2,0,0,0,0|1,0,0]=3 1075 B12R0.47 C=CCCCC(=O)NCCCCC WXVL_AK0076SB2920 [0,2,0,0,0,0|1,0,0]=3 1076 B12R0.47 C=CCCCC(=O)NCCCCO WXVL_AK0075SB2920 [0,2,0,0,0,0|2,0,0]=4 1077 B12R0.47 C=CCCCC(=O)NCCCCO WXVL_AK0075SB2920 [0,2,0,0,0,0|2,0,0]=4 1078 B12R0.47 C=CCCCC(=O)NCCCOC WXVL_AK00637SB2920 [0,2,0,0,0,0|2,0,0]=4 1079 B12R0.47 C=CCCCC(=O)NCCCOC WXVL_AK00637SB2920 [0,2,0,0,0,0|2,0,0]=4 1080 B12R0.47 C=CCCCC(=O)NCCCSC WXVL_AK0965SB2920 [0,2,0,0,0,0|2,0,0]=4 1081 B12R0.47 C=CCCCC(=O)NCCCSC WXVL_AK0965SB2920 [0,2,0,0,0,0|2,0,0]=4 1082 B12R0.47 C=CCCCC(=O)NCCSCC WXVL_AK00494SB2920 [0,2,0,0,0,0|2,0,0]=4 1083 B12R0.47 C=CCCCC(=O)NCCSCC WXVL_AK00494SB2920 [0,2,0,0,0,0|2,0,0]=4 1084 B12R0.47 CC/C=C/CC(=O)NCCCCC WXVL_AK0076SB0349 [0,2,0,0,0,0|1,0,0]=3 1085 B12R0.47 CC/C=C/CC(=O)NCCCCC WXVL_AK0076SB0349 [0,2,0,0,0,0|1,0,0]=3 1086 B12R0.47 CC/C=C/CC(=O)NCCCCO WXVL_AK0075SB0349 [0,2,0,0,0,0|2,0,0]=4 1087 B12R0.47 CC/C=C/CC(=O)NCCCCO WXVL_AK0075SB0349 [0,2,0,0,0,0|2,0,0]=4 1088 B12R0.47 CC/C=C/CC(=O)NCCCOC WXVL_AK00637SB0349 [0,2,0,0,0,0|2,0,0]=4 1089 B12R0.47 CC/C=C/CC(=O)NCCCOC WXVL_AK00637SB0349 [0,2,0,0,0,0|2,0,0]=4 1090 B12R0.47 CC/C=C/CC(=O)NCCCSC WXVL_AK0965SB0349 [0,2,0,0,0,0|2,0,0]=4 1091 B12R0.47 CC/C=C/CC(=O)NCCCSC WXVL_AK0965SB0349 [0,2,0,0,0,0|2,0,0]=4 1092 B12R0.47 CC/C=C/CC(=O)NCCSCC WXVL_AK00494SB0349 [0,2,0,0,0,0|2,0,0]=4 1093 B12R0.47 CC/C=C/CC(=O)NCCSCC WXVL_AK00494SB0349 [0,2,0,0,0,0|2,0,0]=4 1094 B12R0.47 CCCCCNC(=O)/C=C/OCC WXVL_AK0076SB3226 [0,2,0,0,0,0|1,0,1]=4 1095 B12R0.47 CCCCCNC(=O)/C=C/OCC WXVL_AK0076SB3226 [0,2,0,0,0,0|1,0,1]=4 1096 B12R0.47 CCCCCNC(=O)CCCCBr WXVL_AK0076SB3153 [0,2,0,0,0,0|1,0,0]=3 1097 B12R0.47 CCCCCNC(=O)CCCCBr WXVL_AK0076SB3153 [0,2,0,0,0,0|1,0,0]=3 1098 B12R0.47 CCCCCNC(=O)CCCCCl WXVL_AK0076SB0379 [0,2,0,0,0,0|1,0,0]=3 1099 B12R0.47 CCCCCNC(=O)CCCCCl WXVL_AK0076SB0379 [0,2,0,0,0,0|1,0,0]=3 1100 B12R0.47 CCCCCNC(=O)NCCCCl WXVL_AK0076YV0130 [0,2,0,0,0,0|1,0,0]=3 1101 B12R0.47 CCCCCNC(=O)NCCCCl WXVL_AK0076YV0130 [0,2,0,0,0,0|1,0,0]=3 1102 B12R0.47 CCCCNC(=O)CCCCCBr WXVL_AK00588SB2192 [0,2,0,0,0,0|2,0,0]=4 1103 B12R0.47 CCCCNC(=O)CCCCCBr WXVL_AK00588SB2192 [0,2,0,0,0,0|2,0,0]=4 1104 B12R0.47 CCCCNC(=O)CCCCCO WXVL_AK00588SB2973 [0,2,0,0,0,0|2,0,0]=4 1105 B12R0.47 CCCCNC(=O)CCCCCO WXVL_AK00588SB2973 [0,2,0,0,0,0|2,0,0]=4 1106 B12R0.47 CCSCCNC(=O)CCCCBr WXVL_AK00494SB3153 [0,2,0,0,0,0|2,0,0]=4 1107 B12R0.47 CCSCCNC(=O)CCCCBr WXVL_AK00494SB3153 [0,2,0,0,0,0|2,0,0]=4 1108 B12R0.47 CCSCCNC(=O)CCCCCl WXVL_AK00494SB0379 [0,2,0,0,0,0|2,0,0]=4 1109 B12R0.47 CCSCCNC(=O)CCCCCl WXVL_AK00494SB0379 [0,2,0,0,0,0|2,0,0]=4 1110 B12R0.47 CCSCCNC(=O)NCCCCl WXVL_AK00494YV0130 [0,2,0,0,0,0|2,0,0]=4 1111 B12R0.47 CCSCCNC(=O)NCCCCl WXVL_AK00494YV0130 [0,2,0,0,0,0|2,0,0]=4 1112 B12R0.47 COCCCNC(=O)CCCCBr WXVL_AK00637SB3153 [0,2,0,0,0,0|2,0,0]=4 1113 B12R0.47 COCCCNC(=O)CCCCBr WXVL_AK00637SB3153 [0,2,0,0,0,0|2,0,0]=4 1114 B12R0.47 COCCCNC(=O)CCCCCl WXVL_AK00637SB0379 [0,2,0,0,0,0|2,0,0]=4 1115 B12R0.47 COCCCNC(=O)CCCCCl WXVL_AK00637SB0379 [0,2,0,0,0,0|2,0,0]=4 1116 B12R0.47 COCCCNC(=O)NCCCCl WXVL_AK00637YV0130 [0,2,0,0,0,0|2,0,0]=4 1117 B12R0.47 COCCCNC(=O)NCCCCl WXVL_AK00637YV0130 [0,2,0,0,0,0|2,0,0]=4 1118 B12R0.47 CSCCCNC(=O)CCCCBr WXVL_AK0965SB3153 [0,2,0,0,0,0|2,0,0]=4 1119 B12R0.47 CSCCCNC(=O)CCCCBr WXVL_AK0965SB3153 [0,2,0,0,0,0|2,0,0]=4 1120 B12R0.47 CSCCCNC(=O)CCCCCl WXVL_AK0965SB0379 [0,2,0,0,0,0|2,0,0]=4 1121 B12R0.47 CSCCCNC(=O)CCCCCl WXVL_AK0965SB0379 [0,2,0,0,0,0|2,0,0]=4 1122 B12R0.47 CSCCCNC(=O)NCCCCl WXVL_AK0965YV0130 [0,2,0,0,0,0|2,0,0]=4 1123 B12R0.47 CSCCCNC(=O)NCCCCl WXVL_AK0965YV0130 [0,2,0,0,0,0|2,0,0]=4 1124 B12R0.47 CSCCNC(=O)CCCCCBr WXVL_AK00440SB2192 [0,2,0,0,0,0|2,0,0]=4 1125 B12R0.47 CSCCNC(=O)CCCCCBr WXVL_AK00440SB2192 [0,2,0,0,0,0|2,0,0]=4 1126 B12R0.47 CSCCNC(=O)CCCCCO WXVL_AK00440SB2973 [0,2,0,0,0,0|2,0,0]=4 1127 B12R0.47 CSCCNC(=O)CCCCCO WXVL_AK00440SB2973 [0,2,0,0,0,0|2,0,0]=4 1128 B12R0.47 O=C(CCCCBr)NCCCCO WXVL_AK0075SB3153 [0,2,0,0,0,0|2,0,0]=4 1129 B12R0.47 O=C(CCCCBr)NCCCCO WXVL_AK0075SB3153 [0,2,0,0,0,0|2,0,0]=4 1130 B12R0.47 O=C(CCCCCBr)NCCCO WXVL_AK0073SB2192 [0,2,0,0,0,0|2,0,0]=4 1131 B12R0.47 O=C(CCCCCBr)NCCCO WXVL_AK0073SB2192 [0,2,0,0,0,0|2,0,0]=4 1132 B12R0.47 O=C(CCCCCO)NCCCO WXVL_AK0073SB2973 [0,2,0,0,0,0|2,0,0]=4 1133 B12R0.47 O=C(CCCCCO)NCCCO WXVL_AK0073SB2973 [0,2,0,0,0,0|2,0,0]=4 1134 B12R0.47 O=C(CCCCCl)NCCCCO WXVL_AK0075SB0379 [0,2,0,0,0,0|2,0,0]=4 1135 B12R0.47 O=C(CCCCCl)NCCCCO WXVL_AK0075SB0379 [0,2,0,0,0,0|2,0,0]=4 1136 B12R0.47 O=C(NCCCCl)NCCCCO WXVL_AK0075YV0130 [0,2,0,0,0,0|2,0,0]=4 1137 B12R0.47 O=C(NCCCCl)NCCCCO WXVL_AK0075YV0130 [0,2,0,0,0,0|2,0,0]=4 1138 B12R0.95 CCOCC(=O)NCCOC(C)C WXVL_AK0128SB0091 [0,2,0,0,0,0|2,0,0]=4 1139 B12R0.95 CCOCC(=O)NCCOC(C)C WXVL_AK0128SB0091 [0,2,0,0,0,0|2,0,0]=4 1140 B12R0.95 CCSCC(=O)NCCOC(C)C WXVL_AK0128SB0002 [0,2,0,0,0,0|2,0,0]=4 1141 B12R0.95 CCSCC(=O)NCCOC(C)C WXVL_AK0128SB0002 [0,2,0,0,0,0|2,0,0]=4 1142 B12R0.95 COCCC(=O)NCCOC(C)C WXVL_AK0128SB0156 [0,2,0,0,0,0|2,0,0]=4 1143 B12R0.95 COCCC(=O)NCCOC(C)C WXVL_AK0128SB0156 [0,2,0,0,0,0|2,0,0]=4 1144 B12R0.95 CSCCC(=O)NCCOC(C)C WXVL_AK0128SB0361 [0,2,0,0,0,0|2,0,0]=4 1145 B12R0.95 CSCCC(=O)NCCOC(C)C WXVL_AK0128SB0361 [0,2,0,0,0,0|2,0,0]=4 1146 B12R0.102 CCOCC(=O)NCCC(C)CO WXVL_AK4143SB0091 [0,2,0,0,0,0|2,0,0]=4 1147 B12R0.102 CCOCC(=O)NCCC(C)CO WXVL_AK4143SB0091 [0,2,0,0,0,0|2,0,0]=4 1148 B12R0.102 CCSCC(=O)NCCC(C)CO WXVL_AK4143SB0002 [0,2,0,0,0,0|2,0,0]=4 1149 B12R0.102 CCSCC(=O)NCCC(C)CO WXVL_AK4143SB0002 [0,2,0,0,0,0|2,0,0]=4 1150 B12R0.102 COCCC(=O)NCCC(C)CO WXVL_AK4143SB0156 [0,2,0,0,0,0|2,0,0]=4 1151 B12R0.102 COCCC(=O)NCCC(C)CO WXVL_AK4143SB0156 [0,2,0,0,0,0|2,0,0]=4 1152 B12R0.102 CSCCC(=O)NCCC(C)CO WXVL_AK4143SB0361 [0,2,0,0,0,0|2,0,0]=4 1153 B12R0.102 CSCCC(=O)NCCC(C)CO WXVL_AK4143SB0361 [0,2,0,0,0,0|2,0,0]=4 1154 B12R0.255 CC(=O)CCC(=O)NCCCCO WXVL_AK0075SB0072 [0,2,0,0,0,0|2,0,0]=4 1155 B12R0.255 CC(=O)CCC(=O)NCCCCO WXVL_AK0075SB0072 [0,2,0,0,0,0|2,0,0]=4 1156 B12R0.255 CC(C)CCC(=O)NCCCCO WXVL_AK0075SB0354 [0,2,0,0,0,0|2,0,0]=4 1157 B12R0.255 CC(C)CCC(=O)NCCCCO WXVL_AK0075SB0354 [0,2,0,0,0,0|2,0,0]=4 1158 B12R0.255 CC(C)CNC(=O)CCCCCBr WXVL_AK00544SB2192 [0,2,0,0,0,0|2,0,0]=4 1159 B12R0.255 CC(C)CNC(=O)CCCCCBr WXVL_AK00544SB2192 [0,2,0,0,0,0|2,0,0]=4 1160 B12R0.255 CC(C)CNC(=O)CCCCCO WXVL_AK00544SB2973 [0,2,0,0,0,0|2,0,0]=4 1161 B12R0.255 CC(C)CNC(=O)CCCCCO WXVL_AK00544SB2973 [0,2,0,0,0,0|2,0,0]=4 1162 B12R0.255 CC(C)OCC(=O)NCCCCO WXVL_AK0075SB0213 [0,2,0,0,0,0|2,0,0]=4 1163 B12R0.255 CC(C)OCC(=O)NCCCCO WXVL_AK0075SB0213 [0,2,0,0,0,0|2,0,0]=4 1164 B12R0.255 CC(O)CNC(=O)CCCCCBr WXVL_AK0052SB2192 [0,2,0,0,0,0|2,0,0]=4 1165 B12R0.255 CC(O)CNC(=O)CCCCCBr WXVL_AK0052SB2192 [0,2,0,0,0,0|2,0,0]=4 1166 B12R0.255 CC(O)CNC(=O)CCCCCO WXVL_AK0052SB2973 [0,2,0,0,0,0|2,0,0]=4 1167 B12R0.255 CC(O)CNC(=O)CCCCCO WXVL_AK0052SB2973 [0,2,0,0,0,0|2,0,0]=4 1168 B12R0.255 CCCCCNC(=O)/C=C/C(C)C WXVL_AK0076SB0036 [0,2,0,0,0,0|1,0,1]=4 1169 B12R0.255 CCCCCNC(=O)/C=C/C(C)C WXVL_AK0076SB0036 [0,2,0,0,0,0|1,0,1]=4 1170 B12R0.255 CCCCCNC(=O)CCC(=O)C WXVL_AK0076SB0072 [0,2,0,0,0,0|1,0,0]=3 1171 B12R0.255 CCCCCNC(=O)CCC(=O)C WXVL_AK0076SB0072 [0,2,0,0,0,0|1,0,0]=3 1172 B12R0.255 CCCCCNC(=O)CCC(=O)N WXVL_AK0076SB0358 [0,2,0,0,0,0|1,0,1]=4 1173 B12R0.255 CCCCCNC(=O)CCC(=O)N WXVL_AK0076SB0358 [0,2,0,0,0,0|1,0,1]=4 1174 B12R0.255 CCCCCNC(=O)CCC(C)C WXVL_AK0076SB0354 [0,2,0,0,0,0|1,0,0]=3 1175 B12R0.255 CCCCCNC(=O)CCC(C)C WXVL_AK0076SB0354 [0,2,0,0,0,0|1,0,0]=3 1176 B12R0.255 CCCCCNC(=O)CCN(C)C WXVL_AK0076SB00052 [0,2,0,0,0,0|1,0,0]=3 1177 B12R0.255 CCCCCNC(=O)CCN(C)C WXVL_AK0076SB00052 [0,2,0,0,0,0|1,0,0]=3 1178 B12R0.255 CCCCCNC(=O)CNC(=O)C WXVL_AK0076SB0357 [0,2,0,0,0,0|1,0,1]=4 1179 B12R0.255 CCCCCNC(=O)CNC(=O)C WXVL_AK0076SB0357 [0,2,0,0,0,0|1,0,1]=4 1180 B12R0.255 CCCCCNC(=O)COC(=O)C WXVL_AK0076SB2824 [0,2,0,0,0,0|1,0,1]=4 1181 B12R0.255 CCCCCNC(=O)COC(=O)C WXVL_AK0076SB2824 [0,2,0,0,0,0|1,0,1]=4 1182 B12R0.255 CCCCCNC(=O)COC(C)C WXVL_AK0076SB0213 [0,2,0,0,0,0|1,0,0]=3 1183 B12R0.255 CCCCCNC(=O)COC(C)C WXVL_AK0076SB0213 [0,2,0,0,0,0|1,0,0]=3 1184 B12R0.255 CCCCCNC(=O)CSC(=O)C WXVL_AK0076SB3992 [0,2,0,0,0,0|1,0,1]=4 1185 B12R0.255 CCCCCNC(=O)CSC(=O)C WXVL_AK0076SB3992 [0,2,0,0,0,0|1,0,1]=4 1186 B12R0.255 CCSCCNC(=O)CCC(=O)C WXVL_AK00494SB0072 [0,2,0,0,0,0|2,0,0]=4 1187 B12R0.255 CCSCCNC(=O)CCC(=O)C WXVL_AK00494SB0072 [0,2,0,0,0,0|2,0,0]=4 1188 B12R0.255 CCSCCNC(=O)CCC(C)C WXVL_AK00494SB0354 [0,2,0,0,0,0|2,0,0]=4 1189 B12R0.255 CCSCCNC(=O)CCC(C)C WXVL_AK00494SB0354 [0,2,0,0,0,0|2,0,0]=4 1190 B12R0.255 CCSCCNC(=O)CCN(C)C WXVL_AK00494SB00052 [0,2,0,0,0,0|2,0,0]=4 1191 B12R0.255 CCSCCNC(=O)CCN(C)C WXVL_AK00494SB00052 [0,2,0,0,0,0|2,0,0]=4 1192 B12R0.255 CCSCCNC(=O)COC(C)C WXVL_AK00494SB0213 [0,2,0,0,0,0|2,0,0]=4 1193 B12R0.255 CCSCCNC(=O)COC(C)C WXVL_AK00494SB0213 [0,2,0,0,0,0|2,0,0]=4 1194 B12R0.255 CN(C)CCC(=O)NCCCCO WXVL_AK0075SB00052 [0,2,0,0,0,0|2,0,0]=4 1195 B12R0.255 CN(C)CCC(=O)NCCCCO WXVL_AK0075SB00052 [0,2,0,0,0,0|2,0,0]=4 1196 B12R0.255 COCCCNC(=O)CCC(=O)C WXVL_AK00637SB0072 [0,2,0,0,0,0|2,0,0]=4 1197 B12R0.255 COCCCNC(=O)CCC(=O)C WXVL_AK00637SB0072 [0,2,0,0,0,0|2,0,0]=4 1198 B12R0.255 COCCCNC(=O)CCC(C)C WXVL_AK00637SB0354 [0,2,0,0,0,0|2,0,0]=4 1199 B12R0.255 COCCCNC(=O)CCC(C)C WXVL_AK00637SB0354 [0,2,0,0,0,0|2,0,0]=4 1200 B12R0.255 COCCCNC(=O)CCN(C)C WXVL_AK00637SB00052 [0,2,0,0,0,0|2,0,0]=4 1201 B12R0.255 COCCCNC(=O)CCN(C)C WXVL_AK00637SB00052 [0,2,0,0,0,0|2,0,0]=4 1202 B12R0.255 COCCCNC(=O)COC(C)C WXVL_AK00637SB0213 [0,2,0,0,0,0|2,0,0]=4 1203 B12R0.255 COCCCNC(=O)COC(C)C WXVL_AK00637SB0213 [0,2,0,0,0,0|2,0,0]=4 1204 B12R0.255 CSCCCNC(=O)CCC(=O)C WXVL_AK0965SB0072 [0,2,0,0,0,0|2,0,0]=4 1205 B12R0.255 CSCCCNC(=O)CCC(=O)C WXVL_AK0965SB0072 [0,2,0,0,0,0|2,0,0]=4 1206 B12R0.255 CSCCCNC(=O)CCC(C)C WXVL_AK0965SB0354 [0,2,0,0,0,0|2,0,0]=4 1207 B12R0.255 CSCCCNC(=O)CCC(C)C WXVL_AK0965SB0354 [0,2,0,0,0,0|2,0,0]=4 1208 B12R0.255 CSCCCNC(=O)CCN(C)C WXVL_AK0965SB00052 [0,2,0,0,0,0|2,0,0]=4 1209 B12R0.255 CSCCCNC(=O)CCN(C)C WXVL_AK0965SB00052 [0,2,0,0,0,0|2,0,0]=4 1210 B12R0.255 CSCCCNC(=O)COC(C)C WXVL_AK0965SB0213 [0,2,0,0,0,0|2,0,0]=4 1211 B12R0.255 CSCCCNC(=O)COC(C)C WXVL_AK0965SB0213 [0,2,0,0,0,0|2,0,0]=4 1212 B12R0.255 C[C@H](O)CNC(=O)CCCCCBr WXVL_AK0113SB2192 [0,2,0,0,0,0|2,0,0]=4 1213 B12R0.255 C[C@H](O)CNC(=O)CCCCCBr WXVL_AK0113SB2192 [0,2,0,0,0,0|2,0,0]=4 1214 B12R0.255 C[C@H](O)CNC(=O)CCCCCO WXVL_AK0113SB2973 [0,2,0,0,0,0|2,0,0]=4 1215 B12R0.255 C[C@H](O)CNC(=O)CCCCCO WXVL_AK0113SB2973 [0,2,0,0,0,0|2,0,0]=4 1216 B12R0.585 CCCCCNS(=O)(=O)CCCC WXVL_AK0076HU0031 [0,2,0,0,0,0|2,0,0]=4 1217 B12R0.585 CCCCCNS(=O)(=O)CCCC WXVL_AK0076HU0031 [0,2,0,0,0,0|2,0,0]=4 1218 B12R0.585 CCCCCNS(=O)(=O)CCCCl WXVL_AK0076HU0162 [0,2,0,0,0,0|2,0,0]=4 1219 B12R0.585 CCCCCNS(=O)(=O)CCCCl WXVL_AK0076HU0162 [0,2,0,0,0,0|2,0,0]=4 1220 B12R0.585 CCCCCNS(=O)(=O)CCOC WXVL_AK0076HU0155 [0,2,0,0,0,0|2,0,0]=4 1221 B12R0.585 CCCCCNS(=O)(=O)CCOC WXVL_AK0076HU0155 [0,2,0,0,0,0|2,0,0]=4 1222 B12R0.648 CCCCCC(C)C(=O)NCCC WXVL_AK00504SB0394 [0,2,0,0,0,0|1,0,0]=3 1223 B12R0.648 CCCCCC(C)C(=O)NCCC WXVL_AK00504SB0394 [0,2,0,0,0,0|1,0,0]=3 1224 B12R0.648 CCCCCC(C)C(=O)NCCF WXVL_AK00466SB0394 [0,2,0,0,0,0|2,0,0]=4 1225 B12R0.648 CCCCCC(C)C(=O)NCCF WXVL_AK00466SB0394 [0,2,0,0,0,0|2,0,0]=4 1226 B12R0.86 CCC(C)C(=O)NCCOC(C)C WXVL_AK0128SB0054 [0,2,0,0,0,0|2,0,0]=4 1227 B12R0.86 CCC(C)C(=O)NCCOC(C)C WXVL_AK0128SB0054 [0,2,0,0,0,0|2,0,0]=4 1228 B12R0.86 CC[C@@H](C)C(=O)NCCOC(C)C WXVL_AK0128SB00054 [0,2,0,0,0,0|2,0,0]=4 1229 B12R0.86 CC[C@@H](C)C(=O)NCCOC(C)C WXVL_AK0128SB00054 [0,2,0,0,0,0|2,0,0]=4 1230 B12R0.86 CC[C@H](O)C(=O)NCCOC(C)C WXVL_AK0128SB3573 [0,2,0,0,0,0|2,0,0]=4 1231 B12R0.86 CC[C@H](O)C(=O)NCCOC(C)C WXVL_AK0128SB3573 [0,2,0,0,0,0|2,0,0]=4 1232 B12R0.116 CCC(CC)C(=O)NCCCCO WXVL_AK0075SB0055 [0,2,0,0,0,0|2,0,0]=4 1233 B12R0.116 CCC(CC)C(=O)NCCCCO WXVL_AK0075SB0055 [0,2,0,0,0,0|2,0,0]=4 1234 B12R0.116 CCC(CC)C(=O)NCCCOC WXVL_AK00637SB0055 [0,2,0,0,0,0|2,0,0]=4 1235 B12R0.116 CCC(CC)C(=O)NCCCOC WXVL_AK00637SB0055 [0,2,0,0,0,0|2,0,0]=4 1236 B12R0.116 CCC(CC)C(=O)NCCCSC WXVL_AK0965SB0055 [0,2,0,0,0,0|2,0,0]=4 1237 B12R0.116 CCC(CC)C(=O)NCCCSC WXVL_AK0965SB0055 [0,2,0,0,0,0|2,0,0]=4 1238 B12R0.116 CCCCCNC(=O)C(CC)CC WXVL_AK0076SB0055 [0,2,0,0,0,0|1,0,0]=3 1239 B12R0.116 CCCCCNC(=O)C(CC)CC WXVL_AK0076SB0055 [0,2,0,0,0,0|1,0,0]=3 1240 B12R0.116 CCCCCNC(=O)C(OC)OC WXVL_AK0076SB8546 [0,2,0,0,0,0|2,0,0]=4 1241 B12R0.116 CCCCCNC(=O)C(OC)OC WXVL_AK0076SB8546 [0,2,0,0,0,0|2,0,0]=4 1242 B12R0.116 CCSCCNC(=O)C(CC)CC WXVL_AK00494SB0055 [0,2,0,0,0,0|2,0,0]=4 1243 B12R0.116 CCSCCNC(=O)C(CC)CC WXVL_AK00494SB0055 [0,2,0,0,0,0|2,0,0]=4 1244 B12R0.156 CCC(C)C(=O)NCCC(C)CO WXVL_AK4143SB0054 [0,2,0,0,0,0|2,0,0]=4 1245 B12R0.156 CCC(C)C(=O)NCCC(C)CO WXVL_AK4143SB0054 [0,2,0,0,0,0|2,0,0]=4 1246 B12R0.156 CC[C@@H](C)C(=O)NCCC(C)CO WXVL_AK4143SB00054 [0,2,0,0,0,0|2,0,0]=4 1247 B12R0.156 CC[C@@H](C)C(=O)NCCC(C)CO WXVL_AK4143SB00054 [0,2,0,0,0,0|2,0,0]=4 1248 B12R0.156 CC[C@H](O)C(=O)NCCC(C)CO WXVL_AK4143SB3573 [0,2,0,0,0,0|2,0,0]=4 1249 B12R0.156 CC[C@H](O)C(=O)NCCC(C)CO WXVL_AK4143SB3573 [0,2,0,0,0,0|2,0,0]=4 1250 B12R0.324 CCC(C)(C)C(=O)NCCCCO WXVL_AK0075SB0355 [0,2,0,0,0,0|2,0,0]=4 1251 B12R0.324 CCC(C)(C)C(=O)NCCCCO WXVL_AK0075SB0355 [0,2,0,0,0,0|2,0,0]=4 1252 B12R0.324 CCC(C)(C)C(=O)NCCCOC WXVL_AK00637SB0355 [0,2,0,0,0,0|2,0,0]=4 1253 B12R0.324 CCC(C)(C)C(=O)NCCCOC WXVL_AK00637SB0355 [0,2,0,0,0,0|2,0,0]=4 1254 B12R0.324 CCC(C)(C)C(=O)NCCCSC WXVL_AK0965SB0355 [0,2,0,0,0,0|2,0,0]=4 1255 B12R0.324 CCC(C)(C)C(=O)NCCCSC WXVL_AK0965SB0355 [0,2,0,0,0,0|2,0,0]=4 1256 B12R0.324 CCC(C)(O)C(=O)NCCCCO WXVL_AK0075SB3009 [0,2,0,0,0,0|2,0,0]=4 1257 B12R0.324 CCC(C)(O)C(=O)NCCCCO WXVL_AK0075SB3009 [0,2,0,0,0,0|2,0,0]=4 1258 B12R0.324 CCC(C)(O)C(=O)NCCCOC WXVL_AK00637SB3009 [0,2,0,0,0,0|2,0,0]=4 1259 B12R0.324 CCC(C)(O)C(=O)NCCCOC WXVL_AK00637SB3009 [0,2,0,0,0,0|2,0,0]=4 1260 B12R0.324 CCC(C)(O)C(=O)NCCCSC WXVL_AK0965SB3009 [0,2,0,0,0,0|2,0,0]=4 1261 B12R0.324 CCC(C)(O)C(=O)NCCCSC WXVL_AK0965SB3009 [0,2,0,0,0,0|2,0,0]=4 1262 B12R0.324 CCCCCNC(=O)C(C)(C)CC WXVL_AK0076SB0355 [0,2,0,0,0,0|1,0,0]=3 1263 B12R0.324 CCCCCNC(=O)C(C)(C)CC WXVL_AK0076SB0355 [0,2,0,0,0,0|1,0,0]=3 1264 B12R0.324 CCCCCNC(=O)C(C)(C)CCl WXVL_AK0076SB3392 [0,2,0,0,0,0|2,0,0]=4 1265 B12R0.324 CCCCCNC(=O)C(C)(C)CCl WXVL_AK0076SB3392 [0,2,0,0,0,0|2,0,0]=4 1266 B12R0.324 CCCCCNC(=O)C(C)(C)OC WXVL_AK0076SB0207 [0,2,0,0,0,0|2,0,0]=4 1267 B12R0.324 CCCCCNC(=O)C(C)(C)OC WXVL_AK0076SB0207 [0,2,0,0,0,0|2,0,0]=4 1268 B12R0.324 CCCCCNC(=O)C(C)(O)CC WXVL_AK0076SB3009 [0,2,0,0,0,0|1,0,0]=3 1269 B12R0.324 CCCCCNC(=O)C(C)(O)CC WXVL_AK0076SB3009 [0,2,0,0,0,0|1,0,0]=3 1270 B12R0.324 CCSCCNC(=O)C(C)(C)CC WXVL_AK00494SB0355 [0,2,0,0,0,0|2,0,0]=4 1271 B12R0.324 CCSCCNC(=O)C(C)(C)CC WXVL_AK00494SB0355 [0,2,0,0,0,0|2,0,0]=4 1272 B12R0.324 CCSCCNC(=O)C(C)(O)CC WXVL_AK00494SB3009 [0,2,0,0,0,0|2,0,0]=4 1273 B12R0.324 CCSCCNC(=O)C(C)(O)CC WXVL_AK00494SB3009 [0,2,0,0,0,0|2,0,0]=4 1274 B12R0.363 CCCC(=O)N(CC)CCCCO WXVL_AN3016SB0073 [0,2,0,0,0,0|2,0,0]=4 1275 B12R0.72 CCCC(=O)NCCCC(F)(F)F WXVL_AK00702SB0073 [0,2,0,0,0,0|2,0,0]=4 1276 B12R0.72 CCCC(=O)NCCCC(F)(F)F WXVL_AK00702SB0073 [0,2,0,0,0,0|2,0,0]=4 1277 B12R0.72 CCCC(=O)NCCCS(=O)(=O)C WXVL_AK00620SB0073 [0,2,0,0,0,0|2,0,0]=4 1278 B12R0.72 CCCC(=O)NCCCS(=O)(=O)C WXVL_AK00620SB0073 [0,2,0,0,0,0|2,0,0]=4 1279 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [1,0,0,1,0,0|1,0,0]=3 1280 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [1,0,0,1,0,0|1,0,0]=3 1281 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [1,0,0,1,0,0|1,0,0]=3 1282 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [1,0,0,1,0,0|1,0,0]=3 1283 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [1,0,0,1,0,0|2,0,0]=4 1284 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [1,0,0,1,0,0|2,0,0]=4 1285 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [1,0,0,1,0,0|2,0,0]=4 1286 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [1,0,0,1,0,0|2,0,0]=4 1287 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [1,0,0,1,0,0|2,0,0]=4 1288 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [1,0,0,1,0,0|2,0,0]=4 1289 B10R1.11 COCC(=O)N1CCCC1 WXVL_AN0008SB0090 [1,0,0,1,0,0|2,0,0]=4 1290 B10R1.11 COCC(=O)N1CCCC1 WXVL_AN0008SB0090 [1,0,0,1,0,0|2,0,0]=4 1291 B10R1.11 CSCC(=O)N1CCCC1 WXVL_AN0008SB1267 [1,0,0,1,0,0|2,0,0]=4 1292 B10R1.11 CSCC(=O)N1CCCC1 WXVL_AN0008SB1267 [1,0,0,1,0,0|2,0,0]=4 1293 B10R1.137 CCCC(=O)NC1CNC1 WXVL_AK1291SB0073 [1,0,0,1,0,0|2,0,0]=4 1294 B10R1.137 CCCC(=O)NC1CNC1 WXVL_AK1291SB0073 [1,0,0,1,0,0|2,0,0]=4 1295 B10R1.137 CCCC(=O)NC1CSC1 WXVL_AK2089SB0073 [1,0,0,1,0,0|2,0,0]=4 1296 B10R1.137 CCCC(=O)NC1CSC1 WXVL_AK2089SB0073 [1,0,0,1,0,0|2,0,0]=4 1297 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [1,0,0,1,0,0|1,0,0]=3 1298 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [1,0,0,1,0,0|1,0,0]=3 1299 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [1,0,0,1,0,0|1,0,0]=3 1300 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [1,0,0,1,0,0|1,0,0]=3 1301 B10R1.186 CCCCNC(=O)C1CC1 WXVL_AK00588SB0038 [1,0,0,1,0,0|1,0,0]=3 1302 B10R1.186 CCCCNC(=O)C1CC1 WXVL_AK00588SB0038 [1,0,0,1,0,0|1,0,0]=3 1303 B10R1.186 CSCCNC(=O)C1CC1 WXVL_AK00440SB0038 [1,0,0,1,0,0|2,0,0]=4 1304 B10R1.186 CSCCNC(=O)C1CC1 WXVL_AK00440SB0038 [1,0,0,1,0,0|2,0,0]=4 1305 B10R1.186 O=C(NCCCO)C1CC1 WXVL_AK0073SB0038 [1,0,0,1,0,0|2,0,0]=4 1306 B10R1.186 O=C(NCCCO)C1CC1 WXVL_AK0073SB0038 [1,0,0,1,0,0|2,0,0]=4 1307 B10R1.15 CCC(=O)N1CCOCC1 WXVL_AN00478SB0064 [1,0,0,1,0,0|2,0,0]=4 1308 B10R1.15 CCC(=O)N1CCOCC1 WXVL_AN00478SB0064 [1,0,0,1,0,0|2,0,0]=4 1309 B10R1.15 CCC(=O)N1CCSCC1 WXVL_AN0896SB0064 [1,0,0,1,0,0|2,0,0]=4 1310 B10R1.15 CNC(=O)C1CCCCC1 WXVL_AK00442SB0047 [1,0,0,1,0,0|2,0,0]=4 1311 B10R1.15 CNC(=O)C1CCCCC1 WXVL_AK00442SB0047 [1,0,0,1,0,0|2,0,0]=4 1312 B10R1.27 CNC(=O)CC1CCCC1 WXVL_AK00442SB0044 [1,0,0,1,0,0|2,0,0]=4 1313 B10R1.27 CNC(=O)CC1CCCC1 WXVL_AK00442SB0044 [1,0,0,1,0,0|2,0,0]=4 1314 B10R1.149 CCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0064 [1,0,0,1,0,0|1,0,0]=3 1315 B10R1.149 CNC(=O)C1CCCC1C WXVL_AK00442SB0904 [1,0,0,1,0,0|2,0,0]=4 1316 B10R1.149 CNC(=O)C1CCCC1C WXVL_AK00442SB0904 [1,0,0,1,0,0|2,0,0]=4 1317 B10R1.149 C[C@@H]1CCCN1C(=O)CO WXVL_AN00593SB2706 [1,0,0,1,0,0|2,0,0]=4 1318 B10R1.151 CCC(=O)NCC1CCC1 WXVL_AK00492SB0064 [1,0,0,1,0,0|1,0,0]=3 1319 B10R1.151 CCC(=O)NCC1CCC1 WXVL_AK00492SB0064 [1,0,0,1,0,0|1,0,0]=3 1320 B10R1.151 CCC(=O)NCC1CCO1 WXVL_AK1433SB0064 [1,0,0,1,0,0|2,0,0]=4 1321 B10R1.151 CCC(=O)NCC1CCO1 WXVL_AK1433SB0064 [1,0,0,1,0,0|2,0,0]=4 1322 B10R1.151 CCC(=O)NCC1COC1 WXVL_AK0186SB0064 [1,0,0,1,0,0|2,0,0]=4 1323 B10R1.151 CCC(=O)NCC1COC1 WXVL_AK0186SB0064 [1,0,0,1,0,0|2,0,0]=4 1324 B10R1.151 CNC(=O)CCC1CCC1 WXVL_AK00442SB8784 [1,0,0,1,0,0|2,0,0]=4 1325 B10R1.151 CNC(=O)CCC1CCC1 WXVL_AK00442SB8784 [1,0,0,1,0,0|2,0,0]=4 1326 B10R1.151 O=C(CO)NCC1CCC1 WXVL_AK00492SB2706 [1,0,0,1,0,0|2,0,0]=4 1327 B10R1.151 O=C(CO)NCC1CCC1 WXVL_AK00492SB2706 [1,0,0,1,0,0|2,0,0]=4 1328 B10R1.153 CCC(=O)NCCC1CC1 WXVL_AK00594SB0064 [1,0,0,1,0,0|1,0,0]=3 1329 B10R1.153 CCC(=O)NCCC1CC1 WXVL_AK00594SB0064 [1,0,0,1,0,0|1,0,0]=3 1330 B10R1.153 O=C(CO)NCCC1CC1 WXVL_AK00594SB2706 [1,0,0,1,0,0|2,0,0]=4 1331 B10R1.153 O=C(CO)NCCC1CC1 WXVL_AK00594SB2706 [1,0,0,1,0,0|2,0,0]=4 1332 B10R1.175 CCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0064 [1,0,0,1,0,0|2,0,0]=4 1333 B10R1.175 CCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0064 [1,0,0,1,0,0|2,0,0]=4 1334 B10R1.175 CCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0064 [1,0,0,1,0,0|2,0,0]=4 1335 B12R1.107 CC(C)CC(=O)N1CCOCC1 WXVL_AN00478SB0063 [0,1,0,1,0,0|2,0,0]=4 1336 B12R1.107 CC(C)CC(=O)N1CCOCC1 WXVL_AN00478SB0063 [0,1,0,1,0,0|2,0,0]=4 1337 B12R1.107 CC(C)CC(=O)N1CCSCC1 WXVL_AN0896SB0063 [0,1,0,1,0,0|2,0,0]=4 1338 B12R1.107 CC(C)NC(=O)C1CCCCC1 WXVL_AK0030SB0047 [0,1,0,1,0,0|2,0,0]=4 1339 B12R1.107 CC(C)NC(=O)C1CCCCC1 WXVL_AK0030SB0047 [0,1,0,1,0,0|2,0,0]=4 1340 B12R1.107 CC(O)CC(=O)N1CCOCC1 WXVL_AN00478SB3643 [0,1,0,1,0,0|2,0,0]=4 1341 B12R1.107 CC(O)CC(=O)N1CCOCC1 WXVL_AN00478SB3643 [0,1,0,1,0,0|2,0,0]=4 1342 B12R1.107 CC(O)CC(=O)N1CCSCC1 WXVL_AN0896SB3643 [0,1,0,1,0,0|2,0,0]=4 1343 B12R1.144 CC(C)CC(=O)N1CCC[C@H]1C WXVL_AN00593SB0063 [0,1,0,1,0,0|1,0,0]=3 1344 B12R1.144 CC(C)NC(=O)C1CCCC1C WXVL_AK0030SB0904 [0,1,0,1,0,0|2,0,0]=4 1345 B12R1.144 CC(C)NC(=O)C1CCCC1C WXVL_AK0030SB0904 [0,1,0,1,0,0|2,0,0]=4 1346 B12R1.144 CC(O)CC(=O)N1CCC[C@H]1C WXVL_AN00593SB3643 [0,1,0,1,0,0|1,0,0]=3 1347 B12R1.144 C[C@@H]1CCCN1C(=O)CN(C)C WXVL_AN00593SB0085 [0,1,0,1,0,0|2,0,0]=4 1348 B12R1.260 CC(C)NC(=O)CC1CCCC1 WXVL_AK0030SB0044 [0,1,0,1,0,0|2,0,0]=4 1349 B12R1.260 CC(C)NC(=O)CC1CCCC1 WXVL_AK0030SB0044 [0,1,0,1,0,0|2,0,0]=4 1350 B12R1.400 CC(C)CC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0063 [0,1,0,1,0,0|2,0,0]=4 1351 B12R1.400 CC(C)CC(=O)N1CC[C@H]1CO WXVL_AN3414SB0063 [0,1,0,1,0,0|2,0,0]=4 1352 B12R1.400 CC(C)CC(=O)N1CC[C@H]1CO WXVL_AN3414SB0063 [0,1,0,1,0,0|2,0,0]=4 1353 B12R1.400 CC(O)CC(=O)N1CC[C@@H]1CO WXVL_AN00694SB3643 [0,1,0,1,0,0|2,0,0]=4 1354 B12R1.400 CC(O)CC(=O)N1CC[C@H]1CO WXVL_AN3414SB3643 [0,1,0,1,0,0|2,0,0]=4 1355 B12R1.400 CC(O)CC(=O)N1CC[C@H]1CO WXVL_AN3414SB3643 [0,1,0,1,0,0|2,0,0]=4 1356 B12R1.563 CCCCCNC(=O)CC1CC1 WXVL_AK0076SB0155 [0,1,0,1,0,0|1,0,0]=3 1357 B12R1.563 CCCCCNC(=O)CC1CC1 WXVL_AK0076SB0155 [0,1,0,1,0,0|1,0,0]=3 1358 B12R1.563 CCSCCNC(=O)CC1CC1 WXVL_AK00494SB0155 [0,1,0,1,0,0|2,0,0]=4 1359 B12R1.563 CCSCCNC(=O)CC1CC1 WXVL_AK00494SB0155 [0,1,0,1,0,0|2,0,0]=4 1360 B12R1.563 COCCCNC(=O)CC1CC1 WXVL_AK00637SB0155 [0,1,0,1,0,0|2,0,0]=4 1361 B12R1.563 COCCCNC(=O)CC1CC1 WXVL_AK00637SB0155 [0,1,0,1,0,0|2,0,0]=4 1362 B12R1.563 CSCCCNC(=O)CC1CC1 WXVL_AK0965SB0155 [0,1,0,1,0,0|2,0,0]=4 1363 B12R1.563 CSCCCNC(=O)CC1CC1 WXVL_AK0965SB0155 [0,1,0,1,0,0|2,0,0]=4 1364 B12R1.563 O=C(CC1CC1)NCCCCO WXVL_AK0075SB0155 [0,1,0,1,0,0|2,0,0]=4 1365 B12R1.563 O=C(CC1CC1)NCCCCO WXVL_AK0075SB0155 [0,1,0,1,0,0|2,0,0]=4 1366 B12R1.563 O=C(CCCCCBr)NC1CC1 WXVL_AK0001SB2192 [0,1,0,1,0,0|2,0,0]=4 1367 B12R1.563 O=C(CCCCCBr)NC1CC1 WXVL_AK0001SB2192 [0,1,0,1,0,0|2,0,0]=4 1368 B12R1.563 O=C(CCCCCO)NC1CC1 WXVL_AK0001SB2973 [0,1,0,1,0,0|2,0,0]=4 1369 B12R1.563 O=C(CCCCCO)NC1CC1 WXVL_AK0001SB2973 [0,1,0,1,0,0|2,0,0]=4 1370 B12R1.1376 CC(C)CC(=O)NCC1CCC1 WXVL_AK00492SB0063 [0,1,0,1,0,0|1,0,0]=3 1371 B12R1.1376 CC(C)CC(=O)NCC1CCC1 WXVL_AK00492SB0063 [0,1,0,1,0,0|1,0,0]=3 1372 B12R1.1376 CC(C)CC(=O)NCC1CCO1 WXVL_AK1433SB0063 [0,1,0,1,0,0|2,0,0]=4 1373 B12R1.1376 CC(C)CC(=O)NCC1CCO1 WXVL_AK1433SB0063 [0,1,0,1,0,0|2,0,0]=4 1374 B12R1.1376 CC(C)CC(=O)NCC1COC1 WXVL_AK0186SB0063 [0,1,0,1,0,0|2,0,0]=4 1375 B12R1.1376 CC(C)CC(=O)NCC1COC1 WXVL_AK0186SB0063 [0,1,0,1,0,0|2,0,0]=4 1376 B12R1.1376 CC(C)NC(=O)CCC1CCC1 WXVL_AK0030SB8784 [0,1,0,1,0,0|2,0,0]=4 1377 B12R1.1376 CC(C)NC(=O)CCC1CCC1 WXVL_AK0030SB8784 [0,1,0,1,0,0|2,0,0]=4 1378 B12R1.1376 CC(O)CC(=O)NCC1CCC1 WXVL_AK00492SB3643 [0,1,0,1,0,0|1,0,0]=3 1379 B12R1.1376 CC(O)CC(=O)NCC1CCC1 WXVL_AK00492SB3643 [0,1,0,1,0,0|1,0,0]=3 1380 B12R1.1376 CC(O)CC(=O)NCC1CCO1 WXVL_AK1433SB3643 [0,1,0,1,0,0|2,0,0]=4 1381 B12R1.1376 CC(O)CC(=O)NCC1CCO1 WXVL_AK1433SB3643 [0,1,0,1,0,0|2,0,0]=4 1382 B12R1.1376 CC(O)CC(=O)NCC1COC1 WXVL_AK0186SB3643 [0,1,0,1,0,0|2,0,0]=4 1383 B12R1.1376 CC(O)CC(=O)NCC1COC1 WXVL_AK0186SB3643 [0,1,0,1,0,0|2,0,0]=4 1384 B12R1.1376 CN(C)CC(=O)NCC1CCC1 WXVL_AK00492SB0085 [0,1,0,1,0,0|2,0,0]=4 1385 B12R1.1376 CN(C)CC(=O)NCC1CCC1 WXVL_AK00492SB0085 [0,1,0,1,0,0|2,0,0]=4 1386 B12R1.1377 CC(C)CC(=O)NCCC1CC1 WXVL_AK00594SB0063 [0,1,0,1,0,0|1,0,0]=3 1387 B12R1.1377 CC(C)CC(=O)NCCC1CC1 WXVL_AK00594SB0063 [0,1,0,1,0,0|1,0,0]=3 1388 B12R1.1377 CC(O)CC(=O)NCCC1CC1 WXVL_AK00594SB3643 [0,1,0,1,0,0|1,0,0]=3 1389 B12R1.1377 CC(O)CC(=O)NCCC1CC1 WXVL_AK00594SB3643 [0,1,0,1,0,0|1,0,0]=3 1390 B12R1.1377 CN(C)CC(=O)NCCC1CC1 WXVL_AK00594SB0085 [0,1,0,1,0,0|2,0,0]=4 1391 B12R1.1377 CN(C)CC(=O)NCCC1CC1 WXVL_AK00594SB0085 [0,1,0,1,0,0|2,0,0]=4 1392 B12R1.2563 CC1CC1C(=O)NCCCCO WXVL_AK0075SB0041 [0,1,0,1,0,0|2,0,0]=4 1393 B12R1.2563 CC1CC1C(=O)NCCCCO WXVL_AK0075SB0041 [0,1,0,1,0,0|2,0,0]=4 1394 B12R1.2563 CCCCCNC(=O)C1CC1C WXVL_AK0076SB0041 [0,1,0,1,0,0|1,0,0]=3 1395 B12R1.2563 CCCCCNC(=O)C1CC1C WXVL_AK0076SB0041 [0,1,0,1,0,0|1,0,0]=3 1396 B12R1.2563 CCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK0076SB1245 [0,1,0,1,0,0|1,0,0]=3 1397 B12R1.2563 CCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK0076SB1245 [0,1,0,1,0,0|1,0,0]=3 1398 B12R1.2563 CCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK0076SB00019 [0,1,0,1,0,0|1,0,0]=3 1399 B12R1.2563 CCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK0076SB00019 [0,1,0,1,0,0|1,0,0]=3 1400 B12R1.2563 CCSCCNC(=O)C1CC1C WXVL_AK00494SB0041 [0,1,0,1,0,0|2,0,0]=4 1401 B12R1.2563 CCSCCNC(=O)C1CC1C WXVL_AK00494SB0041 [0,1,0,1,0,0|2,0,0]=4 1402 B12R1.2563 CCSCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00494SB1245 [0,1,0,1,0,0|2,0,0]=4 1403 B12R1.2563 CCSCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00494SB1245 [0,1,0,1,0,0|2,0,0]=4 1404 B12R1.2563 CCSCCNC(=O)[C@H]1C[C@H]1F WXVL_AK00494SB00019 [0,1,0,1,0,0|2,0,0]=4 1405 B12R1.2563 CCSCCNC(=O)[C@H]1C[C@H]1F WXVL_AK00494SB00019 [0,1,0,1,0,0|2,0,0]=4 1406 B12R1.2563 COCCCNC(=O)C1CC1C WXVL_AK00637SB0041 [0,1,0,1,0,0|2,0,0]=4 1407 B12R1.2563 COCCCNC(=O)C1CC1C WXVL_AK00637SB0041 [0,1,0,1,0,0|2,0,0]=4 1408 B12R1.2563 COCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00637SB1245 [0,1,0,1,0,0|2,0,0]=4 1409 B12R1.2563 COCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00637SB1245 [0,1,0,1,0,0|2,0,0]=4 1410 B12R1.2563 COCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK00637SB00019 [0,1,0,1,0,0|2,0,0]=4 1411 B12R1.2563 COCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK00637SB00019 [0,1,0,1,0,0|2,0,0]=4 1412 B12R1.2563 CSCCCNC(=O)C1CC1C WXVL_AK0965SB0041 [0,1,0,1,0,0|2,0,0]=4 1413 B12R1.2563 CSCCCNC(=O)C1CC1C WXVL_AK0965SB0041 [0,1,0,1,0,0|2,0,0]=4 1414 B12R1.2563 CSCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK0965SB1245 [0,1,0,1,0,0|2,0,0]=4 1415 B12R1.2563 CSCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK0965SB1245 [0,1,0,1,0,0|2,0,0]=4 1416 B12R1.2563 CSCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK0965SB00019 [0,1,0,1,0,0|2,0,0]=4 1417 B12R1.2563 CSCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK0965SB00019 [0,1,0,1,0,0|2,0,0]=4 1418 B12R1.2563 O=C(NCCCCO)[C@@H]1C[C@@H]1F WXVL_AK0075SB1245 [0,1,0,1,0,0|2,0,0]=4 1419 B12R1.2563 O=C(NCCCCO)[C@@H]1C[C@@H]1F WXVL_AK0075SB1245 [0,1,0,1,0,0|2,0,0]=4 1420 B12R1.2563 O=C(NCCCCO)[C@H]1C[C@H]1F WXVL_AK0075SB00019 [0,1,0,1,0,0|2,0,0]=4 1421 B12R1.2563 O=C(NCCCCO)[C@H]1C[C@H]1F WXVL_AK0075SB00019 [0,1,0,1,0,0|2,0,0]=4 1422 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [0,1,0,1,0,0|1,0,0]=3 1423 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [0,1,0,1,0,0|1,0,0]=3 1424 B12R1.32 CCCC(=O)NC1CCCOC1 WXVL_AK1073SB0073 [0,1,0,1,0,0|1,0,0]=3 1425 B12R1.32 CCCC(=O)NC1CCCOC1 WXVL_AK1073SB0073 [0,1,0,1,0,0|1,0,0]=3 1426 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [0,1,0,1,0,0|2,0,0]=4 1427 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [0,1,0,1,0,0|2,0,0]=4 1428 B12R1.32 CCNC(=O)CC1CCOCC1 WXVL_AK00476SB0194 [0,1,0,1,0,0|2,0,0]=4 1429 B12R1.32 CCNC(=O)CC1CCOCC1 WXVL_AK00476SB0194 [0,1,0,1,0,0|2,0,0]=4 1430 B12R1.32 CCNC(=O)CN1CCCCC1 WXVL_AK00476SB0186 [0,1,0,1,0,0|2,0,0]=4 1431 B12R1.32 CCNC(=O)CN1CCCCC1 WXVL_AK00476SB0186 [0,1,0,1,0,0|2,0,0]=4 1432 B12R1.32 COCC(=O)NC1CCCCC1 WXVL_AK00480SB0090 [0,1,0,1,0,0|2,0,0]=4 1433 B12R1.32 COCC(=O)NC1CCCCC1 WXVL_AK00480SB0090 [0,1,0,1,0,0|2,0,0]=4 1434 B12R1.32 COCC(=O)NC1CCCOC1 WXVL_AK1073SB0090 [0,1,0,1,0,0|2,0,0]=4 1435 B12R1.32 COCC(=O)NC1CCCOC1 WXVL_AK1073SB0090 [0,1,0,1,0,0|2,0,0]=4 1436 B12R1.32 CSCC(=O)NC1CCCCC1 WXVL_AK00480SB1267 [0,1,0,1,0,0|2,0,0]=4 1437 B12R1.32 CSCC(=O)NC1CCCCC1 WXVL_AK00480SB1267 [0,1,0,1,0,0|2,0,0]=4 1438 B12R1.32 CSCC(=O)NC1CCCOC1 WXVL_AK1073SB1267 [0,1,0,1,0,0|2,0,0]=4 1439 B12R1.32 CSCC(=O)NC1CCCOC1 WXVL_AK1073SB1267 [0,1,0,1,0,0|2,0,0]=4 1440 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [0,1,0,1,0,0|1,0,0]=3 1441 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [0,1,0,1,0,0|1,0,0]=3 1442 B12R1.51 CCCC(=O)NCC1CCOC1 WXVL_AK00634SB0073 [0,1,0,1,0,0|1,0,0]=3 1443 B12R1.51 CCCC(=O)NCC1CCOC1 WXVL_AK00634SB0073 [0,1,0,1,0,0|1,0,0]=3 1444 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0073 [0,1,0,1,0,0|1,0,0]=3 1445 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0073 [0,1,0,1,0,0|1,0,0]=3 1446 B12R1.51 CCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0073 [0,1,0,1,0,0|1,0,0]=3 1447 B12R1.51 CCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0073 [0,1,0,1,0,0|1,0,0]=3 1448 B12R1.51 CCNC(=O)/C=C/C1CCCC1 WXVL_AK00476SB5314 [0,1,0,1,0,0|2,0,0]=4 1449 B12R1.51 CCNC(=O)/C=C/C1CCCC1 WXVL_AK00476SB5314 [0,1,0,1,0,0|2,0,0]=4 1450 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [0,1,0,1,0,0|2,0,0]=4 1451 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [0,1,0,1,0,0|2,0,0]=4 1452 B12R1.51 CCNC(=O)CCN1CCCC1 WXVL_AK00476SB0766 [0,1,0,1,0,0|2,0,0]=4 1453 B12R1.51 CCNC(=O)CCN1CCCC1 WXVL_AK00476SB0766 [0,1,0,1,0,0|2,0,0]=4 1454 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [0,1,0,1,0,0|1,0,0]=3 1455 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [0,1,0,1,0,0|1,0,0]=3 1456 B12R1.51 COCC(=O)NCC1CCCC1 WXVL_AK0303SB0090 [0,1,0,1,0,0|2,0,0]=4 1457 B12R1.51 COCC(=O)NCC1CCCC1 WXVL_AK0303SB0090 [0,1,0,1,0,0|2,0,0]=4 1458 B12R1.51 COCC(=O)NCC1CCOC1 WXVL_AK00634SB0090 [0,1,0,1,0,0|2,0,0]=4 1459 B12R1.51 COCC(=O)NCC1CCOC1 WXVL_AK00634SB0090 [0,1,0,1,0,0|2,0,0]=4 1460 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0090 [0,1,0,1,0,0|2,0,0]=4 1461 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0090 [0,1,0,1,0,0|2,0,0]=4 1462 B12R1.51 COCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0090 [0,1,0,1,0,0|2,0,0]=4 1463 B12R1.51 COCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0090 [0,1,0,1,0,0|2,0,0]=4 1464 B12R1.51 CSCC(=O)NCC1CCCC1 WXVL_AK0303SB1267 [0,1,0,1,0,0|2,0,0]=4 1465 B12R1.51 CSCC(=O)NCC1CCCC1 WXVL_AK0303SB1267 [0,1,0,1,0,0|2,0,0]=4 1466 B12R1.51 CSCC(=O)NCC1CCOC1 WXVL_AK00634SB1267 [0,1,0,1,0,0|2,0,0]=4 1467 B12R1.51 CSCC(=O)NCC1CCOC1 WXVL_AK00634SB1267 [0,1,0,1,0,0|2,0,0]=4 1468 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1267 [0,1,0,1,0,0|2,0,0]=4 1469 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1267 [0,1,0,1,0,0|2,0,0]=4 1470 B12R1.51 CSCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB1267 [0,1,0,1,0,0|2,0,0]=4 1471 B12R1.51 CSCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB1267 [0,1,0,1,0,0|2,0,0]=4 1472 B12R1.308 CCCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0073 [0,1,0,1,0,0|1,0,0]=3 1473 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0073 [0,1,0,1,0,0|1,0,0]=3 1474 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0073 [0,1,0,1,0,0|1,0,0]=3 1475 B12R1.308 CCCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0073 [0,1,0,1,0,0|1,0,0]=3 1476 B12R1.308 CCNC(=O)[C@H]1CCCCN1C WXVL_AK00476SB4055 [0,1,0,1,0,0|2,0,0]=4 1477 B12R1.308 CCNC(=O)[C@H]1CCCCN1C WXVL_AK00476SB4055 [0,1,0,1,0,0|2,0,0]=4 1478 B12R1.308 COCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0090 [0,1,0,1,0,0|2,0,0]=4 1479 B12R1.308 COCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0090 [0,1,0,1,0,0|2,0,0]=4 1480 B12R1.308 COCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0090 [0,1,0,1,0,0|2,0,0]=4 1481 B12R1.308 COCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0090 [0,1,0,1,0,0|2,0,0]=4 1482 B12R1.308 CSCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB1267 [0,1,0,1,0,0|2,0,0]=4 1483 B12R1.308 CSCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB1267 [0,1,0,1,0,0|2,0,0]=4 1484 B12R1.308 CSCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB1267 [0,1,0,1,0,0|2,0,0]=4 1485 B12R1.308 CSCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB1267 [0,1,0,1,0,0|2,0,0]=4 1486 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [0,1,0,1,0,0|1,0,0]=3 1487 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [0,1,0,1,0,0|1,0,0]=3 1488 B12R1.315 COCC(=O)NCCC1CCC1 WXVL_AK2418SB0090 [0,1,0,1,0,0|2,0,0]=4 1489 B12R1.315 COCC(=O)NCCC1CCC1 WXVL_AK2418SB0090 [0,1,0,1,0,0|2,0,0]=4 1490 B12R1.315 CSCC(=O)NCCC1CCC1 WXVL_AK2418SB1267 [0,1,0,1,0,0|2,0,0]=4 1491 B12R1.315 CSCC(=O)NCCC1CCC1 WXVL_AK2418SB1267 [0,1,0,1,0,0|2,0,0]=4 1492 B12R1.316 CCCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0073 [0,1,0,1,0,0|1,0,0]=3 1493 B12R1.316 COCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0090 [0,1,0,1,0,0|2,0,0]=4 1494 B12R1.316 CSCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB1267 [0,1,0,1,0,0|2,0,0]=4 1495 B12R1.318 CCCC(=O)N[C@@H]1COC[C@H]1O WXVL_AK0348SB0073 [0,1,0,1,0,0|2,0,0]=4 1496 B12R1.318 CCCC(=O)N[C@@H]1COC[C@H]1O WXVL_AK0348SB0073 [0,1,0,1,0,0|2,0,0]=4 1497 B12R1.923 C#CCCCCNC(=O)C1CC1 WXVL_AK00614SB0038 [0,1,0,1,0,0|1,0,1]=4 1498 B12R1.923 C#CCCCCNC(=O)C1CC1 WXVL_AK00614SB0038 [0,1,0,1,0,0|1,0,1]=4 1499 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [0,1,0,1,0,0|1,0,0]=3 1500 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [0,1,0,1,0,0|1,0,0]=3 1501 B12R1.923 CCOCCCNC(=O)C1CC1 WXVL_AK0072SB0038 [0,1,0,1,0,0|1,0,0]=3 1502 B12R1.923 CCOCCCNC(=O)C1CC1 WXVL_AK0072SB0038 [0,1,0,1,0,0|1,0,0]=3 1503 B12R1.923 O=C(NCCCCCO)C1CC1 WXVL_AK0077SB0038 [0,1,0,1,0,0|1,0,0]=3 1504 B12R1.923 O=C(NCCCCCO)C1CC1 WXVL_AK0077SB0038 [0,1,0,1,0,0|1,0,0]=3 1505 B12R1.923 O=C(NCCNCCO)C1CC1 WXVL_AK0954SB0038 [0,1,0,1,0,0|2,0,0]=4 1506 B12R1.923 O=C(NCCNCCO)C1CC1 WXVL_AK0954SB0038 [0,1,0,1,0,0|2,0,0]=4 1507 B12R1.1564 CCCC(=O)N1CCCOCC1 WXVL_AN00350SB0073 [0,1,0,1,0,0|1,0,0]=3 1508 B12R1.1564 CCCC(=O)N1CCCOCC1 WXVL_AN00350SB0073 [0,1,0,1,0,0|1,0,0]=3 1509 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [0,1,0,1,0,0|2,0,0]=4 1510 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [0,1,0,1,0,0|2,0,0]=4 1511 B12R1.1564 COCC(=O)N1CCCOCC1 WXVL_AN00350SB0090 [0,1,0,1,0,0|2,0,0]=4 1512 B12R1.1564 COCC(=O)N1CCCOCC1 WXVL_AN00350SB0090 [0,1,0,1,0,0|2,0,0]=4 1513 B12R1.1564 CSCC(=O)N1CCCOCC1 WXVL_AN00350SB1267 [0,1,0,1,0,0|2,0,0]=4 1514 B12R1.1564 CSCC(=O)N1CCCOCC1 WXVL_AN00350SB1267 [0,1,0,1,0,0|2,0,0]=4 1515 B12R1.53 CCCNC(=O)CC1CCCC1 WXVL_AK00504SB0044 [0,1,0,1,0,0|1,0,0]=3 1516 B12R1.53 CCCNC(=O)CC1CCCC1 WXVL_AK00504SB0044 [0,1,0,1,0,0|1,0,0]=3 1517 B12R1.53 CCCNC(=O)CN1CCCC1 WXVL_AK00504SB0201 [0,1,0,1,0,0|2,0,0]=4 1518 B12R1.53 CCCNC(=O)CN1CCCC1 WXVL_AK00504SB0201 [0,1,0,1,0,0|2,0,0]=4 1519 B12R1.53 O=C(CC1CCCC1)NCCF WXVL_AK00466SB0044 [0,1,0,1,0,0|2,0,0]=4 1520 B12R1.53 O=C(CC1CCCC1)NCCF WXVL_AK00466SB0044 [0,1,0,1,0,0|2,0,0]=4 1521 B12R1.460 C#CCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB2189 [0,1,0,1,0,0|1,0,1]=4 1522 B12R1.460 C=CCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB1035 [0,1,0,1,0,0|1,0,1]=4 1523 B12R1.460 CC1CCCC1C(=O)NCCF WXVL_AK00466SB0904 [0,1,0,1,0,0|2,0,0]=4 1524 B12R1.460 CC1CCCC1C(=O)NCCF WXVL_AK00466SB0904 [0,1,0,1,0,0|2,0,0]=4 1525 B12R1.460 CCCNC(=O)C1CCCC1C WXVL_AK00504SB0904 [0,1,0,1,0,0|1,0,0]=3 1526 B12R1.460 CCCNC(=O)C1CCCC1C WXVL_AK00504SB0904 [0,1,0,1,0,0|1,0,0]=3 1527 B12R1.460 CCCNC(=O)[C@@H]1CCCN1C WXVL_AK00504SB1197 [0,1,0,1,0,0|2,0,0]=4 1528 B12R1.460 CCCNC(=O)[C@@H]1CCCN1C WXVL_AK00504SB1197 [0,1,0,1,0,0|2,0,0]=4 1529 B12R1.460 CCOCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0091 [0,1,0,1,0,0|1,0,0]=3 1530 B12R1.460 CCSCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0002 [0,1,0,1,0,0|1,0,0]=3 1531 B12R1.460 COCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0156 [0,1,0,1,0,0|1,0,0]=3 1532 B12R1.460 CSCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0361 [0,1,0,1,0,0|1,0,0]=3 1533 B12R1.460 C[C@@H]1CCCN1C(=O)NCCCl WXVL_AN00593YV0092 [0,1,0,1,0,0|2,0,0]=4 1534 B12R1.519 CCCC(=O)NC(C)C1CCC1 WXVL_AK00681SB0073 [0,1,0,1,0,0|1,0,0]=3 1535 B12R1.519 CCCC(=O)NC(C)C1CCC1 WXVL_AK00681SB0073 [0,1,0,1,0,0|1,0,0]=3 1536 B12R1.519 COCC(=O)NC(C)C1CCC1 WXVL_AK00681SB0090 [0,1,0,1,0,0|2,0,0]=4 1537 B12R1.519 COCC(=O)NC(C)C1CCC1 WXVL_AK00681SB0090 [0,1,0,1,0,0|2,0,0]=4 1538 B12R1.519 CSCC(=O)NC(C)C1CCC1 WXVL_AK00681SB1267 [0,1,0,1,0,0|2,0,0]=4 1539 B12R1.519 CSCC(=O)NC(C)C1CCC1 WXVL_AK00681SB1267 [0,1,0,1,0,0|2,0,0]=4 1540 B12R1.1589 CCCC(=O)N1[C@@H](CC[C@H]1C)C WXVL_AN00607SB0073 [0,1,0,1,0,0|1,0,0]=3 1541 B12R1.1589 COCC(=O)N1[C@@H](CC[C@H]1C)C WXVL_AN00607SB0090 [0,1,0,1,0,0|2,0,0]=4 1542 B12R1.1589 CSCC(=O)N1[C@@H](CC[C@H]1C)C WXVL_AN00607SB1267 [0,1,0,1,0,0|2,0,0]=4 1543 B12R1.17 CCCC(=O)N1CCCC(C1)Br WXVL_AN00704SB0073 [0,1,0,1,0,0|1,0,0]=3 1544 B12R1.17 CCCC(=O)N1CCCC(C1)F WXVL_AN2271SB0073 [0,1,0,1,0,0|1,0,0]=3 1545 B12R1.17 CCCC(=O)N1CCCC(C1)F WXVL_AN2271SB0073 [0,1,0,1,0,0|1,0,0]=3 1546 B12R1.17 CCCC(=O)N1CCCC(C1)O WXVL_AN0622SB0073 [0,1,0,1,0,0|1,0,0]=3 1547 B12R1.17 CCCC(=O)N1CCC[C@H](C1)C WXVL_AN00782SB0073 [0,1,0,1,0,0|1,0,0]=3 1548 B12R1.17 CCCC(=O)N1CCC[C@H](C1)O WXVL_AN00535SB0073 [0,1,0,1,0,0|1,0,0]=3 1549 B12R1.17 CCCC(=O)N1CCOC(C1)C WXVL_AN0569SB0073 [0,1,0,1,0,0|2,0,0]=4 1550 B12R1.17 CCCC(=O)N1CCOC(C1)O WXVL_AN00776SB0073 [0,1,0,1,0,0|2,0,0]=4 1551 B12R1.17 CCCC(=O)N1CCO[C@@H](C1)C WXVL_AN00210SB0073 [0,1,0,1,0,0|2,0,0]=4 1552 B12R1.17 CCCC(=O)N1CCO[C@@H](C1)C WXVL_AN00210SB0073 [0,1,0,1,0,0|2,0,0]=4 1553 B12R1.17 CCCC(=O)N1CCO[C@H](C1)C WXVL_AN00212SB0073 [0,1,0,1,0,0|2,0,0]=4 1554 B12R1.17 CCCC(=O)N1CCO[C@H](C1)C WXVL_AN00212SB0073 [0,1,0,1,0,0|2,0,0]=4 1555 B12R1.17 CCNC(=O)C1CCCC(C1)C WXVL_AK00476SB5392 [0,1,0,1,0,0|2,0,0]=4 1556 B12R1.17 CCNC(=O)C1CCCC(C1)C WXVL_AK00476SB5392 [0,1,0,1,0,0|2,0,0]=4 1557 B12R1.17 COCC(=O)N1CCCC(C1)Br WXVL_AN00704SB0090 [0,1,0,1,0,0|2,0,0]=4 1558 B12R1.17 COCC(=O)N1CCCC(C1)F WXVL_AN2271SB0090 [0,1,0,1,0,0|2,0,0]=4 1559 B12R1.17 COCC(=O)N1CCCC(C1)F WXVL_AN2271SB0090 [0,1,0,1,0,0|2,0,0]=4 1560 B12R1.17 COCC(=O)N1CCCC(C1)O WXVL_AN0622SB0090 [0,1,0,1,0,0|2,0,0]=4 1561 B12R1.17 COCC(=O)N1CCC[C@H](C1)C WXVL_AN00782SB0090 [0,1,0,1,0,0|2,0,0]=4 1562 B12R1.17 COCC(=O)N1CCC[C@H](C1)O WXVL_AN00535SB0090 [0,1,0,1,0,0|2,0,0]=4 1563 B12R1.17 CSCC(=O)N1CCCC(C1)Br WXVL_AN00704SB1267 [0,1,0,1,0,0|2,0,0]=4 1564 B12R1.17 CSCC(=O)N1CCCC(C1)F WXVL_AN2271SB1267 [0,1,0,1,0,0|2,0,0]=4 1565 B12R1.17 CSCC(=O)N1CCCC(C1)F WXVL_AN2271SB1267 [0,1,0,1,0,0|2,0,0]=4 1566 B12R1.17 CSCC(=O)N1CCCC(C1)O WXVL_AN0622SB1267 [0,1,0,1,0,0|2,0,0]=4 1567 B12R1.17 CSCC(=O)N1CCC[C@H](C1)C WXVL_AN00782SB1267 [0,1,0,1,0,0|2,0,0]=4 1568 B12R1.17 CSCC(=O)N1CCC[C@H](C1)O WXVL_AN00535SB1267 [0,1,0,1,0,0|2,0,0]=4 1569 B12R1.313 CCCC(=O)N1C[C@@H](C[C@@H]1C)O WXVL_AN00544SB0073 [0,1,0,1,0,0|1,0,0]=3 1570 B12R1.313 COCC(=O)N1C[C@@H](C[C@@H]1C)O WXVL_AN00544SB0090 [0,1,0,1,0,0|2,0,0]=4 1571 B12R1.313 CSCC(=O)N1C[C@@H](C[C@@H]1C)O WXVL_AN00544SB1267 [0,1,0,1,0,0|2,0,0]=4 1572 B12R1.467 CCCC(=O)NCC1CN(C1)C WXVL_AK3201SB0073 [0,1,0,1,0,0|2,0,0]=4 1573 B12R1.467 CCCC(=O)NCC1CN(C1)C WXVL_AK3201SB0073 [0,1,0,1,0,0|2,0,0]=4 1574 B12R1.1573 CCCC(=O)NCC1(CCC1)C WXVL_AK00671SB0073 [0,1,0,1,0,0|1,0,0]=3 1575 B12R1.1573 CCCC(=O)NCC1(CCC1)C WXVL_AK00671SB0073 [0,1,0,1,0,0|1,0,0]=3 1576 B12R1.1573 CCCC(=O)NCC1(CCC1)F WXVL_AK4924SB0073 [0,1,0,1,0,0|1,0,0]=3 1577 B12R1.1573 CCCC(=O)NCC1(CCC1)F WXVL_AK4924SB0073 [0,1,0,1,0,0|1,0,0]=3 1578 B12R1.1573 CCCC(=O)NCC1(CCC1)O WXVL_AK2855SB0073 [0,1,0,1,0,0|1,0,0]=3 1579 B12R1.1573 CCCC(=O)NCC1(CCC1)O WXVL_AK2855SB0073 [0,1,0,1,0,0|1,0,0]=3 1580 B12R1.1573 CCCC(=O)NCC1(COC1)F WXVL_AK2103SB0073 [0,1,0,1,0,0|2,0,0]=4 1581 B12R1.1573 CCCC(=O)NCC1(COC1)F WXVL_AK2103SB0073 [0,1,0,1,0,0|2,0,0]=4 1582 B12R1.1573 CCCC(=O)NCC1(COC1)O WXVL_AK1349SB0073 [0,1,0,1,0,0|2,0,0]=4 1583 B12R1.1573 CCCC(=O)NCC1(COC1)O WXVL_AK1349SB0073 [0,1,0,1,0,0|2,0,0]=4 1584 B12R1.1573 COCC(=O)NCC1(CCC1)C WXVL_AK00671SB0090 [0,1,0,1,0,0|2,0,0]=4 1585 B12R1.1573 COCC(=O)NCC1(CCC1)C WXVL_AK00671SB0090 [0,1,0,1,0,0|2,0,0]=4 1586 B12R1.1573 COCC(=O)NCC1(CCC1)F WXVL_AK4924SB0090 [0,1,0,1,0,0|2,0,0]=4 1587 B12R1.1573 COCC(=O)NCC1(CCC1)F WXVL_AK4924SB0090 [0,1,0,1,0,0|2,0,0]=4 1588 B12R1.1573 COCC(=O)NCC1(CCC1)O WXVL_AK2855SB0090 [0,1,0,1,0,0|2,0,0]=4 1589 B12R1.1573 COCC(=O)NCC1(CCC1)O WXVL_AK2855SB0090 [0,1,0,1,0,0|2,0,0]=4 1590 B12R1.1573 CSCC(=O)NCC1(CCC1)C WXVL_AK00671SB1267 [0,1,0,1,0,0|2,0,0]=4 1591 B12R1.1573 CSCC(=O)NCC1(CCC1)C WXVL_AK00671SB1267 [0,1,0,1,0,0|2,0,0]=4 1592 B12R1.1573 CSCC(=O)NCC1(CCC1)F WXVL_AK4924SB1267 [0,1,0,1,0,0|2,0,0]=4 1593 B12R1.1573 CSCC(=O)NCC1(CCC1)F WXVL_AK4924SB1267 [0,1,0,1,0,0|2,0,0]=4 1594 B12R1.1573 CSCC(=O)NCC1(CCC1)O WXVL_AK2855SB1267 [0,1,0,1,0,0|2,0,0]=4 1595 B12R1.1573 CSCC(=O)NCC1(CCC1)O WXVL_AK2855SB1267 [0,1,0,1,0,0|2,0,0]=4 1596 B12R1.30 CCCNC(=O)C1CCCCC1 WXVL_AK00504SB0047 [0,1,0,1,0,0|1,0,0]=3 1597 B12R1.30 CCCNC(=O)C1CCCCC1 WXVL_AK00504SB0047 [0,1,0,1,0,0|1,0,0]=3 1598 B12R1.30 CCCNC(=O)C1CCCCO1 WXVL_AK00504SB0206 [0,1,0,1,0,0|2,0,0]=4 1599 B12R1.30 CCCNC(=O)C1CCCCO1 WXVL_AK00504SB0206 [0,1,0,1,0,0|2,0,0]=4 1600 B12R1.30 CCCNC(=O)C1CCOCC1 WXVL_AK00504SB0149 [0,1,0,1,0,0|2,0,0]=4 1601 B12R1.30 CCCNC(=O)C1CCOCC1 WXVL_AK00504SB0149 [0,1,0,1,0,0|2,0,0]=4 1602 B12R1.30 CCCNC(=O)C1CCSCC1 WXVL_AK00504SB0752 [0,1,0,1,0,0|2,0,0]=4 1603 B12R1.30 CCCNC(=O)C1CCSCC1 WXVL_AK00504SB0752 [0,1,0,1,0,0|2,0,0]=4 1604 B12R1.30 CCCNC(=O)[C@H]1CCCCO1 WXVL_AK00504SB00044 [0,1,0,1,0,0|2,0,0]=4 1605 B12R1.30 CCCNC(=O)[C@H]1CCCCO1 WXVL_AK00504SB00044 [0,1,0,1,0,0|2,0,0]=4 1606 B12R1.30 CCOCC(=O)N1CCOCC1 WXVL_AN00478SB0091 [0,1,0,1,0,0|2,0,0]=4 1607 B12R1.30 CCOCC(=O)N1CCOCC1 WXVL_AN00478SB0091 [0,1,0,1,0,0|2,0,0]=4 1608 B12R1.30 CCOCC(=O)N1CCSCC1 WXVL_AN0896SB0091 [0,1,0,1,0,0|2,0,0]=4 1609 B12R1.30 CCSCC(=O)N1CCOCC1 WXVL_AN00478SB0002 [0,1,0,1,0,0|2,0,0]=4 1610 B12R1.30 CCSCC(=O)N1CCOCC1 WXVL_AN00478SB0002 [0,1,0,1,0,0|2,0,0]=4 1611 B12R1.30 CCSCC(=O)N1CCSCC1 WXVL_AN0896SB0002 [0,1,0,1,0,0|2,0,0]=4 1612 B12R1.30 COCCC(=O)N1CCOCC1 WXVL_AN00478SB0156 [0,1,0,1,0,0|2,0,0]=4 1613 B12R1.30 COCCC(=O)N1CCOCC1 WXVL_AN00478SB0156 [0,1,0,1,0,0|2,0,0]=4 1614 B12R1.30 COCCC(=O)N1CCSCC1 WXVL_AN0896SB0156 [0,1,0,1,0,0|2,0,0]=4 1615 B12R1.30 CSCCC(=O)N1CCOCC1 WXVL_AN00478SB0361 [0,1,0,1,0,0|2,0,0]=4 1616 B12R1.30 CSCCC(=O)N1CCOCC1 WXVL_AN00478SB0361 [0,1,0,1,0,0|2,0,0]=4 1617 B12R1.30 CSCCC(=O)N1CCSCC1 WXVL_AN0896SB0361 [0,1,0,1,0,0|2,0,0]=4 1618 B12R1.30 O=C(NCCF)C1CCCCC1 WXVL_AK00466SB0047 [0,1,0,1,0,0|2,0,0]=4 1619 B12R1.30 O=C(NCCF)C1CCCCC1 WXVL_AK00466SB0047 [0,1,0,1,0,0|2,0,0]=4 1620 B12R1.461 CCOCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0091 [0,1,0,1,0,0|2,0,0]=4 1621 B12R1.461 CCOCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0091 [0,1,0,1,0,0|2,0,0]=4 1622 B12R1.461 CCOCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0091 [0,1,0,1,0,0|2,0,0]=4 1623 B12R1.461 CCSCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0002 [0,1,0,1,0,0|2,0,0]=4 1624 B12R1.461 CCSCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0002 [0,1,0,1,0,0|2,0,0]=4 1625 B12R1.461 CCSCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0002 [0,1,0,1,0,0|2,0,0]=4 1626 B12R1.461 COCCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0156 [0,1,0,1,0,0|2,0,0]=4 1627 B12R1.461 COCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0156 [0,1,0,1,0,0|2,0,0]=4 1628 B12R1.461 COCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0156 [0,1,0,1,0,0|2,0,0]=4 1629 B12R1.461 CSCCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0361 [0,1,0,1,0,0|2,0,0]=4 1630 B12R1.461 CSCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0361 [0,1,0,1,0,0|2,0,0]=4 1631 B12R1.461 CSCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0361 [0,1,0,1,0,0|2,0,0]=4 1632 B12R1.463 C#CCCC(=O)NCC1CCC1 WXVL_AK00492SB2189 [0,1,0,1,0,0|1,0,1]=4 1633 B12R1.463 C#CCCC(=O)NCC1CCC1 WXVL_AK00492SB2189 [0,1,0,1,0,0|1,0,1]=4 1634 B12R1.463 C=CCCC(=O)NCC1CCC1 WXVL_AK00492SB1035 [0,1,0,1,0,0|1,0,1]=4 1635 B12R1.463 C=CCCC(=O)NCC1CCC1 WXVL_AK00492SB1035 [0,1,0,1,0,0|1,0,1]=4 1636 B12R1.463 CCCNC(=O)CCC1CCC1 WXVL_AK00504SB8784 [0,1,0,1,0,0|1,0,0]=3 1637 B12R1.463 CCCNC(=O)CCC1CCC1 WXVL_AK00504SB8784 [0,1,0,1,0,0|1,0,0]=3 1638 B12R1.463 CCOCC(=O)NCC1CCC1 WXVL_AK00492SB0091 [0,1,0,1,0,0|1,0,0]=3 1639 B12R1.463 CCOCC(=O)NCC1CCC1 WXVL_AK00492SB0091 [0,1,0,1,0,0|1,0,0]=3 1640 B12R1.463 CCOCC(=O)NCC1CCO1 WXVL_AK1433SB0091 [0,1,0,1,0,0|2,0,0]=4 1641 B12R1.463 CCOCC(=O)NCC1CCO1 WXVL_AK1433SB0091 [0,1,0,1,0,0|2,0,0]=4 1642 B12R1.463 CCOCC(=O)NCC1COC1 WXVL_AK0186SB0091 [0,1,0,1,0,0|2,0,0]=4 1643 B12R1.463 CCOCC(=O)NCC1COC1 WXVL_AK0186SB0091 [0,1,0,1,0,0|2,0,0]=4 1644 B12R1.463 CCSCC(=O)NCC1CCC1 WXVL_AK00492SB0002 [0,1,0,1,0,0|1,0,0]=3 1645 B12R1.463 CCSCC(=O)NCC1CCC1 WXVL_AK00492SB0002 [0,1,0,1,0,0|1,0,0]=3 1646 B12R1.463 CCSCC(=O)NCC1CCO1 WXVL_AK1433SB0002 [0,1,0,1,0,0|2,0,0]=4 1647 B12R1.463 CCSCC(=O)NCC1CCO1 WXVL_AK1433SB0002 [0,1,0,1,0,0|2,0,0]=4 1648 B12R1.463 CCSCC(=O)NCC1COC1 WXVL_AK0186SB0002 [0,1,0,1,0,0|2,0,0]=4 1649 B12R1.463 CCSCC(=O)NCC1COC1 WXVL_AK0186SB0002 [0,1,0,1,0,0|2,0,0]=4 1650 B12R1.463 COCCC(=O)NCC1CCC1 WXVL_AK00492SB0156 [0,1,0,1,0,0|1,0,0]=3 1651 B12R1.463 COCCC(=O)NCC1CCC1 WXVL_AK00492SB0156 [0,1,0,1,0,0|1,0,0]=3 1652 B12R1.463 COCCC(=O)NCC1CCO1 WXVL_AK1433SB0156 [0,1,0,1,0,0|2,0,0]=4 1653 B12R1.463 COCCC(=O)NCC1CCO1 WXVL_AK1433SB0156 [0,1,0,1,0,0|2,0,0]=4 1654 B12R1.463 COCCC(=O)NCC1COC1 WXVL_AK0186SB0156 [0,1,0,1,0,0|2,0,0]=4 1655 B12R1.463 COCCC(=O)NCC1COC1 WXVL_AK0186SB0156 [0,1,0,1,0,0|2,0,0]=4 1656 B12R1.463 CSCCC(=O)NCC1CCC1 WXVL_AK00492SB0361 [0,1,0,1,0,0|1,0,0]=3 1657 B12R1.463 CSCCC(=O)NCC1CCC1 WXVL_AK00492SB0361 [0,1,0,1,0,0|1,0,0]=3 1658 B12R1.463 CSCCC(=O)NCC1CCO1 WXVL_AK1433SB0361 [0,1,0,1,0,0|2,0,0]=4 1659 B12R1.463 CSCCC(=O)NCC1CCO1 WXVL_AK1433SB0361 [0,1,0,1,0,0|2,0,0]=4 1660 B12R1.463 CSCCC(=O)NCC1COC1 WXVL_AK0186SB0361 [0,1,0,1,0,0|2,0,0]=4 1661 B12R1.463 CSCCC(=O)NCC1COC1 WXVL_AK0186SB0361 [0,1,0,1,0,0|2,0,0]=4 1662 B12R1.463 O=C(CCC1CCC1)NCCF WXVL_AK00466SB8784 [0,1,0,1,0,0|2,0,0]=4 1663 B12R1.463 O=C(CCC1CCC1)NCCF WXVL_AK00466SB8784 [0,1,0,1,0,0|2,0,0]=4 1664 B12R1.463 O=C(NCCCl)NCC1CCC1 WXVL_AK00492YV0092 [0,1,0,1,0,0|2,0,0]=4 1665 B12R1.463 O=C(NCCCl)NCC1CCC1 WXVL_AK00492YV0092 [0,1,0,1,0,0|2,0,0]=4 1666 B12R1.464 C#CCCC(=O)NCCC1CC1 WXVL_AK00594SB2189 [0,1,0,1,0,0|1,0,1]=4 1667 B12R1.464 C#CCCC(=O)NCCC1CC1 WXVL_AK00594SB2189 [0,1,0,1,0,0|1,0,1]=4 1668 B12R1.464 C=CCCC(=O)NCCC1CC1 WXVL_AK00594SB1035 [0,1,0,1,0,0|1,0,1]=4 1669 B12R1.464 C=CCCC(=O)NCCC1CC1 WXVL_AK00594SB1035 [0,1,0,1,0,0|1,0,1]=4 1670 B12R1.464 CCOCC(=O)NCCC1CC1 WXVL_AK00594SB0091 [0,1,0,1,0,0|1,0,0]=3 1671 B12R1.464 CCOCC(=O)NCCC1CC1 WXVL_AK00594SB0091 [0,1,0,1,0,0|1,0,0]=3 1672 B12R1.464 CCSCC(=O)NCCC1CC1 WXVL_AK00594SB0002 [0,1,0,1,0,0|1,0,0]=3 1673 B12R1.464 CCSCC(=O)NCCC1CC1 WXVL_AK00594SB0002 [0,1,0,1,0,0|1,0,0]=3 1674 B12R1.464 COCCC(=O)NCCC1CC1 WXVL_AK00594SB0156 [0,1,0,1,0,0|1,0,0]=3 1675 B12R1.464 COCCC(=O)NCCC1CC1 WXVL_AK00594SB0156 [0,1,0,1,0,0|1,0,0]=3 1676 B12R1.464 CSCCC(=O)NCCC1CC1 WXVL_AK00594SB0361 [0,1,0,1,0,0|1,0,0]=3 1677 B12R1.464 CSCCC(=O)NCCC1CC1 WXVL_AK00594SB0361 [0,1,0,1,0,0|1,0,0]=3 1678 B12R1.464 O=C(NCCCl)NCCC1CC1 WXVL_AK00594YV0092 [0,1,0,1,0,0|2,0,0]=4 1679 B12R1.464 O=C(NCCCl)NCCC1CC1 WXVL_AK00594YV0092 [0,1,0,1,0,0|2,0,0]=4 1680 B12R1.561 CCCCCNC(=O)C1CCC1 WXVL_AK0076SB0042 [0,1,0,1,0,0|1,0,0]=3 1681 B12R1.561 CCCCCNC(=O)C1CCC1 WXVL_AK0076SB0042 [0,1,0,1,0,0|1,0,0]=3 1682 B12R1.561 CCSCCNC(=O)C1CCC1 WXVL_AK00494SB0042 [0,1,0,1,0,0|2,0,0]=4 1683 B12R1.561 CCSCCNC(=O)C1CCC1 WXVL_AK00494SB0042 [0,1,0,1,0,0|2,0,0]=4 1684 B12R1.561 COCCCNC(=O)C1CCC1 WXVL_AK00637SB0042 [0,1,0,1,0,0|2,0,0]=4 1685 B12R1.561 COCCCNC(=O)C1CCC1 WXVL_AK00637SB0042 [0,1,0,1,0,0|2,0,0]=4 1686 B12R1.561 CSCCCNC(=O)C1CCC1 WXVL_AK0965SB0042 [0,1,0,1,0,0|2,0,0]=4 1687 B12R1.561 CSCCCNC(=O)C1CCC1 WXVL_AK0965SB0042 [0,1,0,1,0,0|2,0,0]=4 1688 B12R1.561 O=C(NCCCCO)C1CCC1 WXVL_AK0075SB0042 [0,1,0,1,0,0|2,0,0]=4 1689 B12R1.561 O=C(NCCCCO)C1CCC1 WXVL_AK0075SB0042 [0,1,0,1,0,0|2,0,0]=4 1690 B12R1.34 CCC(C)C(=O)N1CCOCC1 WXVL_AN00478SB0054 [0,1,0,1,0,0|2,0,0]=4 1691 B12R1.34 CCC(C)C(=O)N1CCOCC1 WXVL_AN00478SB0054 [0,1,0,1,0,0|2,0,0]=4 1692 B12R1.34 CCC(C)C(=O)N1CCSCC1 WXVL_AN0896SB0054 [0,1,0,1,0,0|2,0,0]=4 1693 B12R1.34 CC[C@@H](C)C(=O)N1CCOCC1 WXVL_AN00478SB00054 [0,1,0,1,0,0|2,0,0]=4 1694 B12R1.34 CC[C@@H](C)C(=O)N1CCOCC1 WXVL_AN00478SB00054 [0,1,0,1,0,0|2,0,0]=4 1695 B12R1.34 CC[C@@H](C)C(=O)N1CCSCC1 WXVL_AN0896SB00054 [0,1,0,1,0,0|2,0,0]=4 1696 B12R1.34 CC[C@H](O)C(=O)N1CCOCC1 WXVL_AN00478SB3573 [0,1,0,1,0,0|2,0,0]=4 1697 B12R1.34 CC[C@H](O)C(=O)N1CCOCC1 WXVL_AN00478SB3573 [0,1,0,1,0,0|2,0,0]=4 1698 B12R1.34 CC[C@H](O)C(=O)N1CCSCC1 WXVL_AN0896SB3573 [0,1,0,1,0,0|2,0,0]=4 1699 B12R1.443 CCC(C)C(=O)N1CC[C@@H]1CO WXVL_AN00694SB0054 [0,1,0,1,0,0|2,0,0]=4 1700 B12R1.443 CCC(C)C(=O)N1CC[C@H]1CO WXVL_AN3414SB0054 [0,1,0,1,0,0|2,0,0]=4 1701 B12R1.443 CCC(C)C(=O)N1CC[C@H]1CO WXVL_AN3414SB0054 [0,1,0,1,0,0|2,0,0]=4 1702 B12R1.443 CC[C@@H](C)C(=O)N1CC[C@@H]1CO WXVL_AN00694SB00054 [0,1,0,1,0,0|2,0,0]=4 1703 B12R1.443 CC[C@@H](C)C(=O)N1CC[C@H]1CO WXVL_AN3414SB00054 [0,1,0,1,0,0|2,0,0]=4 1704 B12R1.443 CC[C@@H](C)C(=O)N1CC[C@H]1CO WXVL_AN3414SB00054 [0,1,0,1,0,0|2,0,0]=4 1705 B12R1.443 CC[C@H](O)C(=O)N1CC[C@@H]1CO WXVL_AN00694SB3573 [0,1,0,1,0,0|2,0,0]=4 1706 B12R1.443 CC[C@H](O)C(=O)N1CC[C@H]1CO WXVL_AN3414SB3573 [0,1,0,1,0,0|2,0,0]=4 1707 B12R1.443 CC[C@H](O)C(=O)N1CC[C@H]1CO WXVL_AN3414SB3573 [0,1,0,1,0,0|2,0,0]=4 1708 B12R1.468 CCC(=O)C(=O)N1CCC[C@H]1C WXVL_AN00593SB0344 [0,1,0,1,0,0|1,0,1]=4 1709 B12R1.468 CCC(C)C(=O)N1CCC[C@H]1C WXVL_AN00593SB0054 [0,1,0,1,0,0|1,0,0]=3 1710 B12R1.468 CC[C@@H](C)C(=O)N1CCC[C@H]1C WXVL_AN00593SB00054 [0,1,0,1,0,0|1,0,0]=3 1711 B12R1.468 CC[C@H](O)C(=O)N1CCC[C@H]1C WXVL_AN00593SB3573 [0,1,0,1,0,0|1,0,0]=3 1712 B12R1.468 CO[C@H](C)C(=O)N1CCC[C@H]1C WXVL_AN00593SB2926 [0,1,0,1,0,0|2,0,0]=4 1713 B12R1.470 CCC(=O)C(=O)NCC1CCC1 WXVL_AK00492SB0344 [0,1,0,1,0,0|1,0,1]=4 1714 B12R1.470 CCC(=O)C(=O)NCC1CCC1 WXVL_AK00492SB0344 [0,1,0,1,0,0|1,0,1]=4 1715 B12R1.470 CCC(C)C(=O)NCC1CCC1 WXVL_AK00492SB0054 [0,1,0,1,0,0|1,0,0]=3 1716 B12R1.470 CCC(C)C(=O)NCC1CCC1 WXVL_AK00492SB0054 [0,1,0,1,0,0|1,0,0]=3 1717 B12R1.470 CCC(C)C(=O)NCC1CCO1 WXVL_AK1433SB0054 [0,1,0,1,0,0|2,0,0]=4 1718 B12R1.470 CCC(C)C(=O)NCC1CCO1 WXVL_AK1433SB0054 [0,1,0,1,0,0|2,0,0]=4 1719 B12R1.470 CCC(C)C(=O)NCC1COC1 WXVL_AK0186SB0054 [0,1,0,1,0,0|2,0,0]=4 1720 B12R1.470 CCC(C)C(=O)NCC1COC1 WXVL_AK0186SB0054 [0,1,0,1,0,0|2,0,0]=4 1721 B12R1.470 CC[C@@H](C)C(=O)NCC1CCC1 WXVL_AK00492SB00054 [0,1,0,1,0,0|1,0,0]=3 1722 B12R1.470 CC[C@@H](C)C(=O)NCC1CCC1 WXVL_AK00492SB00054 [0,1,0,1,0,0|1,0,0]=3 1723 B12R1.470 CC[C@@H](C)C(=O)NCC1CCO1 WXVL_AK1433SB00054 [0,1,0,1,0,0|2,0,0]=4 1724 B12R1.470 CC[C@@H](C)C(=O)NCC1CCO1 WXVL_AK1433SB00054 [0,1,0,1,0,0|2,0,0]=4 1725 B12R1.470 CC[C@@H](C)C(=O)NCC1COC1 WXVL_AK0186SB00054 [0,1,0,1,0,0|2,0,0]=4 1726 B12R1.470 CC[C@@H](C)C(=O)NCC1COC1 WXVL_AK0186SB00054 [0,1,0,1,0,0|2,0,0]=4 1727 B12R1.470 CC[C@H](O)C(=O)NCC1CCC1 WXVL_AK00492SB3573 [0,1,0,1,0,0|1,0,0]=3 1728 B12R1.470 CC[C@H](O)C(=O)NCC1CCC1 WXVL_AK00492SB3573 [0,1,0,1,0,0|1,0,0]=3 1729 B12R1.470 CC[C@H](O)C(=O)NCC1CCO1 WXVL_AK1433SB3573 [0,1,0,1,0,0|2,0,0]=4 1730 B12R1.470 CC[C@H](O)C(=O)NCC1CCO1 WXVL_AK1433SB3573 [0,1,0,1,0,0|2,0,0]=4 1731 B12R1.470 CC[C@H](O)C(=O)NCC1COC1 WXVL_AK0186SB3573 [0,1,0,1,0,0|2,0,0]=4 1732 B12R1.470 CC[C@H](O)C(=O)NCC1COC1 WXVL_AK0186SB3573 [0,1,0,1,0,0|2,0,0]=4 1733 B12R1.470 CO[C@H](C)C(=O)NCC1CCC1 WXVL_AK00492SB2926 [0,1,0,1,0,0|2,0,0]=4 1734 B12R1.470 CO[C@H](C)C(=O)NCC1CCC1 WXVL_AK00492SB2926 [0,1,0,1,0,0|2,0,0]=4 1735 B12R1.471 CCC(=O)C(=O)NCCC1CC1 WXVL_AK00594SB0344 [0,1,0,1,0,0|1,0,1]=4 1736 B12R1.471 CCC(=O)C(=O)NCCC1CC1 WXVL_AK00594SB0344 [0,1,0,1,0,0|1,0,1]=4 1737 B12R1.471 CCC(C)C(=O)NCCC1CC1 WXVL_AK00594SB0054 [0,1,0,1,0,0|1,0,0]=3 1738 B12R1.471 CCC(C)C(=O)NCCC1CC1 WXVL_AK00594SB0054 [0,1,0,1,0,0|1,0,0]=3 1739 B12R1.471 CC[C@@H](C)C(=O)NCCC1CC1 WXVL_AK00594SB00054 [0,1,0,1,0,0|1,0,0]=3 1740 B12R1.471 CC[C@@H](C)C(=O)NCCC1CC1 WXVL_AK00594SB00054 [0,1,0,1,0,0|1,0,0]=3 1741 B12R1.471 CC[C@H](O)C(=O)NCCC1CC1 WXVL_AK00594SB3573 [0,1,0,1,0,0|1,0,0]=3 1742 B12R1.471 CC[C@H](O)C(=O)NCCC1CC1 WXVL_AK00594SB3573 [0,1,0,1,0,0|1,0,0]=3 1743 B12R1.471 CO[C@H](C)C(=O)NCCC1CC1 WXVL_AK00594SB2926 [0,1,0,1,0,0|2,0,0]=4 1744 B12R1.471 CO[C@H](C)C(=O)NCCC1CC1 WXVL_AK00594SB2926 [0,1,0,1,0,0|2,0,0]=4 1745 B12R1.562 CC1(CC1)C(=O)NCCCCO WXVL_AK0075SB0040 [0,1,0,1,0,0|2,0,0]=4 1746 B12R1.562 CC1(CC1)C(=O)NCCCCO WXVL_AK0075SB0040 [0,1,0,1,0,0|2,0,0]=4 1747 B12R1.562 CCCCCNC(=O)C1(CC1)Br WXVL_AK0076SB5517 [0,1,0,1,0,0|1,0,0]=3 1748 B12R1.562 CCCCCNC(=O)C1(CC1)Br WXVL_AK0076SB5517 [0,1,0,1,0,0|1,0,0]=3 1749 B12R1.562 CCCCCNC(=O)C1(CC1)C WXVL_AK0076SB0040 [0,1,0,1,0,0|1,0,0]=3 1750 B12R1.562 CCCCCNC(=O)C1(CC1)C WXVL_AK0076SB0040 [0,1,0,1,0,0|1,0,0]=3 1751 B12R1.562 CCCCCNC(=O)C1(CC1)F WXVL_AK0076SB0218 [0,1,0,1,0,0|1,0,0]=3 1752 B12R1.562 CCCCCNC(=O)C1(CC1)F WXVL_AK0076SB0218 [0,1,0,1,0,0|1,0,0]=3 1753 B12R1.562 CCCCCNC(=O)C1(CC1)O WXVL_AK0076SB2965 [0,1,0,1,0,0|1,0,0]=3 1754 B12R1.562 CCCCCNC(=O)C1(CC1)O WXVL_AK0076SB2965 [0,1,0,1,0,0|1,0,0]=3 1755 B12R1.562 CCSCCNC(=O)C1(CC1)Br WXVL_AK00494SB5517 [0,1,0,1,0,0|2,0,0]=4 1756 B12R1.562 CCSCCNC(=O)C1(CC1)Br WXVL_AK00494SB5517 [0,1,0,1,0,0|2,0,0]=4 1757 B12R1.562 CCSCCNC(=O)C1(CC1)C WXVL_AK00494SB0040 [0,1,0,1,0,0|2,0,0]=4 1758 B12R1.562 CCSCCNC(=O)C1(CC1)C WXVL_AK00494SB0040 [0,1,0,1,0,0|2,0,0]=4 1759 B12R1.562 CCSCCNC(=O)C1(CC1)F WXVL_AK00494SB0218 [0,1,0,1,0,0|2,0,0]=4 1760 B12R1.562 CCSCCNC(=O)C1(CC1)F WXVL_AK00494SB0218 [0,1,0,1,0,0|2,0,0]=4 1761 B12R1.562 CCSCCNC(=O)C1(CC1)O WXVL_AK00494SB2965 [0,1,0,1,0,0|2,0,0]=4 1762 B12R1.562 CCSCCNC(=O)C1(CC1)O WXVL_AK00494SB2965 [0,1,0,1,0,0|2,0,0]=4 1763 B12R1.562 COCCCNC(=O)C1(CC1)Br WXVL_AK00637SB5517 [0,1,0,1,0,0|2,0,0]=4 1764 B12R1.562 COCCCNC(=O)C1(CC1)Br WXVL_AK00637SB5517 [0,1,0,1,0,0|2,0,0]=4 1765 B12R1.562 COCCCNC(=O)C1(CC1)C WXVL_AK00637SB0040 [0,1,0,1,0,0|2,0,0]=4 1766 B12R1.562 COCCCNC(=O)C1(CC1)C WXVL_AK00637SB0040 [0,1,0,1,0,0|2,0,0]=4 1767 B12R1.562 COCCCNC(=O)C1(CC1)F WXVL_AK00637SB0218 [0,1,0,1,0,0|2,0,0]=4 1768 B12R1.562 COCCCNC(=O)C1(CC1)F WXVL_AK00637SB0218 [0,1,0,1,0,0|2,0,0]=4 1769 B12R1.562 COCCCNC(=O)C1(CC1)O WXVL_AK00637SB2965 [0,1,0,1,0,0|2,0,0]=4 1770 B12R1.562 COCCCNC(=O)C1(CC1)O WXVL_AK00637SB2965 [0,1,0,1,0,0|2,0,0]=4 1771 B12R1.562 CSCCCNC(=O)C1(CC1)Br WXVL_AK0965SB5517 [0,1,0,1,0,0|2,0,0]=4 1772 B12R1.562 CSCCCNC(=O)C1(CC1)Br WXVL_AK0965SB5517 [0,1,0,1,0,0|2,0,0]=4 1773 B12R1.562 CSCCCNC(=O)C1(CC1)C WXVL_AK0965SB0040 [0,1,0,1,0,0|2,0,0]=4 1774 B12R1.562 CSCCCNC(=O)C1(CC1)C WXVL_AK0965SB0040 [0,1,0,1,0,0|2,0,0]=4 1775 B12R1.562 CSCCCNC(=O)C1(CC1)F WXVL_AK0965SB0218 [0,1,0,1,0,0|2,0,0]=4 1776 B12R1.562 CSCCCNC(=O)C1(CC1)F WXVL_AK0965SB0218 [0,1,0,1,0,0|2,0,0]=4 1777 B12R1.562 CSCCCNC(=O)C1(CC1)O WXVL_AK0965SB2965 [0,1,0,1,0,0|2,0,0]=4 1778 B12R1.562 CSCCCNC(=O)C1(CC1)O WXVL_AK0965SB2965 [0,1,0,1,0,0|2,0,0]=4 1779 B12R1.562 O=C(NCCCCO)C1(CC1)Br WXVL_AK0075SB5517 [0,1,0,1,0,0|2,0,0]=4 1780 B12R1.562 O=C(NCCCCO)C1(CC1)Br WXVL_AK0075SB5517 [0,1,0,1,0,0|2,0,0]=4 1781 B12R1.562 O=C(NCCCCO)C1(CC1)F WXVL_AK0075SB0218 [0,1,0,1,0,0|2,0,0]=4 1782 B12R1.562 O=C(NCCCCO)C1(CC1)F WXVL_AK0075SB0218 [0,1,0,1,0,0|2,0,0]=4 1783 B12R1.562 O=C(NCCCCO)C1(CC1)O WXVL_AK0075SB2965 [0,1,0,1,0,0|2,0,0]=4 1784 B12R1.562 O=C(NCCCCO)C1(CC1)O WXVL_AK0075SB2965 [0,1,0,1,0,0|2,0,0]=4 1785 B12R1.312 CCCC(=O)N1CCC(C1)CO WXVL_AN2273SB0073 [0,1,0,1,0,0|2,0,0]=4 1786 B12R1.312 CCCC(=O)N1CCC(C1)CO WXVL_AN2273SB0073 [0,1,0,1,0,0|2,0,0]=4 1787 B12R1.312 CCCC(=O)N1CCC(C1)OC WXVL_AN0570SB0073 [0,1,0,1,0,0|2,0,0]=4 1788 B12R1.312 CCCC(=O)N1CC[C@@H](C1)CO WXVL_AN00661SB0073 [0,1,0,1,0,0|2,0,0]=4 1789 B12R1.689 CCCCNC(=O)C(=O)C1CC1 WXVL_AK00588SB3659 [0,1,0,1,0,0|2,0,0]=4 1790 B12R1.689 CCCCNC(=O)C(=O)C1CC1 WXVL_AK00588SB3659 [0,1,0,1,0,0|2,0,0]=4 1791 B12R1.1595 CCNC(=O)C1(CCCCC1)C WXVL_AK00476SB2476 [0,1,0,1,0,0|2,0,0]=4 1792 B12R1.1595 CCNC(=O)C1(CCCCC1)C WXVL_AK00476SB2476 [0,1,0,1,0,0|2,0,0]=4 1793 B12R1.16 C=C1CCN(CC1)C(=O)CCC WXVL_AN00121SB0073 [0,1,0,1,0,0|1,0,1]=4 1794 B12R1.16 C=C1CCN(CC1)C(=O)CCC WXVL_AN00121SB0073 [0,1,0,1,0,0|1,0,1]=4 1795 B12R1.16 CCCC(=O)N1CCC(CC1)Br WXVL_AN00579SB0073 [0,1,0,1,0,0|1,0,0]=3 1796 B12R1.16 CCCC(=O)N1CCC(CC1)C WXVL_AN0025SB0073 [0,1,0,1,0,0|1,0,0]=3 1797 B12R1.16 CCCC(=O)N1CCC(CC1)C WXVL_AN0025SB0073 [0,1,0,1,0,0|1,0,0]=3 1798 B12R1.16 CCCC(=O)N1CCC(CC1)F WXVL_AN0279SB0073 [0,1,0,1,0,0|1,0,0]=3 1799 B12R1.16 CCCC(=O)N1CCC(CC1)O WXVL_AN0023SB0073 [0,1,0,1,0,0|1,0,0]=3 1800 B12R1.16 CCCC(=O)N1CCC(CC1)O WXVL_AN0023SB0073 [0,1,0,1,0,0|1,0,0]=3 1801 B12R1.16 CCCC(=O)N1CCN(CC1)C WXVL_AN00865SB0073 [0,1,0,1,0,0|2,0,0]=4 1802 B12R1.16 CCCC(=O)N1CCS(=O)CC1 WXVL_AN00655SB0073 [0,1,0,1,0,0|2,0,0]=4 1803 B12R1.16 CCNC(=O)C1CCC(CC1)O WXVL_AK00476SB3089 [0,1,0,1,0,0|2,0,0]=4 1804 B12R1.16 CCNC(=O)C1CCC(CC1)O WXVL_AK00476SB3089 [0,1,0,1,0,0|2,0,0]=4 1805 B12R1.16 COCC(=O)N1CCC(CC1)Br WXVL_AN00579SB0090 [0,1,0,1,0,0|2,0,0]=4 1806 B12R1.16 COCC(=O)N1CCC(CC1)C WXVL_AN0025SB0090 [0,1,0,1,0,0|2,0,0]=4 1807 B12R1.16 COCC(=O)N1CCC(CC1)C WXVL_AN0025SB0090 [0,1,0,1,0,0|2,0,0]=4 1808 B12R1.16 COCC(=O)N1CCC(CC1)F WXVL_AN0279SB0090 [0,1,0,1,0,0|2,0,0]=4 1809 B12R1.16 COCC(=O)N1CCC(CC1)O WXVL_AN0023SB0090 [0,1,0,1,0,0|2,0,0]=4 1810 B12R1.16 COCC(=O)N1CCC(CC1)O WXVL_AN0023SB0090 [0,1,0,1,0,0|2,0,0]=4 1811 B12R1.16 CSCC(=O)N1CCC(CC1)Br WXVL_AN00579SB1267 [0,1,0,1,0,0|2,0,0]=4 1812 B12R1.16 CSCC(=O)N1CCC(CC1)C WXVL_AN0025SB1267 [0,1,0,1,0,0|2,0,0]=4 1813 B12R1.16 CSCC(=O)N1CCC(CC1)C WXVL_AN0025SB1267 [0,1,0,1,0,0|2,0,0]=4 1814 B12R1.16 CSCC(=O)N1CCC(CC1)F WXVL_AN0279SB1267 [0,1,0,1,0,0|2,0,0]=4 1815 B12R1.16 CSCC(=O)N1CCC(CC1)O WXVL_AN0023SB1267 [0,1,0,1,0,0|2,0,0]=4 1816 B12R1.16 CSCC(=O)N1CCC(CC1)O WXVL_AN0023SB1267 [0,1,0,1,0,0|2,0,0]=4 1817 B12R1.1689 CC(CO)CCNC(=O)C1CC1 WXVL_AK4143SB0038 [0,1,0,1,0,0|2,0,0]=4 1818 B12R1.1689 CC(CO)CCNC(=O)C1CC1 WXVL_AK4143SB0038 [0,1,0,1,0,0|2,0,0]=4 1819 B12R1.317 CCCC(=O)N1CCCC1(C)C WXVL_AN0313SB0073 [0,1,0,1,0,0|1,0,0]=3 1820 B12R1.317 CCCC(=O)N1CCCC1(C)C WXVL_AN0313SB0073 [0,1,0,1,0,0|1,0,0]=3 1821 B12R1.317 COCC(=O)N1CCCC1(C)C WXVL_AN0313SB0090 [0,1,0,1,0,0|2,0,0]=4 1822 B12R1.317 COCC(=O)N1CCCC1(C)C WXVL_AN0313SB0090 [0,1,0,1,0,0|2,0,0]=4 1823 B12R1.317 CSCC(=O)N1CCCC1(C)C WXVL_AN0313SB1267 [0,1,0,1,0,0|2,0,0]=4 1824 B12R1.317 CSCC(=O)N1CCCC1(C)C WXVL_AN0313SB1267 [0,1,0,1,0,0|2,0,0]=4 1825 B12R1.1356 CC(C)OCCNC(=O)C1CC1 WXVL_AK0128SB0038 [0,1,0,1,0,0|2,0,0]=4 1826 B12R1.1356 CC(C)OCCNC(=O)C1CC1 WXVL_AK0128SB0038 [0,1,0,1,0,0|2,0,0]=4 1827 B12R1.512 CCCS(=O)(=O)N1CCC[C@H]1C WXVL_AN00593HU0030 [0,1,0,1,0,0|2,0,0]=4 1828 B12R1.515 CCCS(=O)(=O)NCC1CCC1 WXVL_AK00492HU0030 [0,1,0,1,0,0|2,0,0]=4 1829 B12R1.515 CCCS(=O)(=O)NCC1CCC1 WXVL_AK00492HU0030 [0,1,0,1,0,0|2,0,0]=4 1830 B12R1.516 CCCS(=O)(=O)NCCC1CC1 WXVL_AK00594HU0030 [0,1,0,1,0,0|2,0,0]=4 1831 B12R1.516 CCCS(=O)(=O)NCCC1CC1 WXVL_AK00594HU0030 [0,1,0,1,0,0|2,0,0]=4 1832 B12R1.1422 CCCCCNS(=O)(=O)C1CC1 WXVL_AK0076HU0097 [0,1,0,1,0,0|2,0,0]=4 1833 B12R1.1422 CCCCCNS(=O)(=O)C1CC1 WXVL_AK0076HU0097 [0,1,0,1,0,0|2,0,0]=4 1834 B12R2.1488 CCCC(=O)N1CC2CC2C1 WXVL_AN00158SB0073 [0,0,0,2,0,0|1,0,0]=3 1835 B12R2.1488 CCCC(=O)N1CC2CC2C1 WXVL_AN00158SB0073 [0,0,0,2,0,0|1,0,0]=3 1836 B12R2.1488 COCC(=O)N1CC2CC2C1 WXVL_AN00158SB0090 [0,0,0,2,0,0|2,0,0]=4 1837 B12R2.1488 COCC(=O)N1CC2CC2C1 WXVL_AN00158SB0090 [0,0,0,2,0,0|2,0,0]=4 1838 B12R2.1488 CSCC(=O)N1CC2CC2C1 WXVL_AN00158SB1267 [0,0,0,2,0,0|2,0,0]=4 1839 B12R2.1488 CSCC(=O)N1CC2CC2C1 WXVL_AN00158SB1267 [0,0,0,2,0,0|2,0,0]=4 1840 B12R2.2075 O=C(C1CC1)N2CCOCC2 WXVL_AN00478SB0038 [0,0,0,2,0,0|2,0,0]=4 1841 B12R2.2075 O=C(C1CC1)N2CCOCC2 WXVL_AN00478SB0038 [0,0,0,2,0,0|2,0,0]=4 1842 B12R2.2075 O=C(C1CC1)N2CCSCC2 WXVL_AN0896SB0038 [0,0,0,2,0,0|2,0,0]=4 1843 B12R2.3412 CCNC(=O)C1CC1C2CC2 WXVL_AK00476SB3548 [0,0,0,2,0,0|2,0,0]=4 1844 B12R2.3412 CCNC(=O)C1CC1C2CC2 WXVL_AK00476SB3548 [0,0,0,2,0,0|2,0,0]=4 1845 B12R2.2372 C[C@@H]1CCCN1C(=O)C2CC2 WXVL_AN00593SB0038 [0,0,0,2,0,0|1,0,0]=3 1846 B12R2.1937 O=C(C1CC1)N2CC[C@@H]2CO WXVL_AN00694SB0038 [0,0,0,2,0,0|2,0,0]=4 1847 B12R2.1937 O=C(C1CC1)N2CC[C@H]2CO WXVL_AN3414SB0038 [0,0,0,2,0,0|2,0,0]=4 1848 B12R2.1937 O=C(C1CC1)N2CC[C@H]2CO WXVL_AN3414SB0038 [0,0,0,2,0,0|2,0,0]=4 1849 B12R2.4795 O=C(NCC1CCC1)C2CC2 WXVL_AK00492SB0038 [0,0,0,2,0,0|1,0,0]=3 1850 B12R2.4795 O=C(NCC1CCC1)C2CC2 WXVL_AK00492SB0038 [0,0,0,2,0,0|1,0,0]=3 1851 B12R2.4795 O=C(NCC1CCO1)C2CC2 WXVL_AK1433SB0038 [0,0,0,2,0,0|2,0,0]=4 1852 B12R2.4795 O=C(NCC1CCO1)C2CC2 WXVL_AK1433SB0038 [0,0,0,2,0,0|2,0,0]=4 1853 B12R2.4795 O=C(NCC1COC1)C2CC2 WXVL_AK0186SB0038 [0,0,0,2,0,0|2,0,0]=4 1854 B12R2.4795 O=C(NCC1COC1)C2CC2 WXVL_AK0186SB0038 [0,0,0,2,0,0|2,0,0]=4 1855 B12R2.4794 O=C(NCCC1CC1)C2CC2 WXVL_AK00594SB0038 [0,0,0,2,0,0|1,0,0]=3 1856 B12R2.4794 O=C(NCCC1CC1)C2CC2 WXVL_AK00594SB0038 [0,0,0,2,0,0|1,0,0]=3