0 B12R0.47 C#CCCCC(=O)NCCCCC WXVL_AK0076SB2709 [0,0,0,0,0,0|2,0,2]=4 1 B12R0.47 C#CCCCC(=O)NCCCCC WXVL_AK0076SB2709 [0,0,0,0,0,0|2,0,2]=4 2 B12R0.47 C#CCCCC(=O)NCCCOC WXVL_AK00637SB2709 [0,0,0,0,0,0|1,1,2]=4 3 B12R0.47 C#CCCCC(=O)NCCCOC WXVL_AK00637SB2709 [0,0,0,0,0,0|1,1,2]=4 4 B12R0.47 C#CCCCC(=O)NCCCSC WXVL_AK0965SB2709 [0,0,0,0,0,0|1,0,2]=3 5 B12R0.47 C#CCCCC(=O)NCCCSC WXVL_AK0965SB2709 [0,0,0,0,0,0|1,0,2]=3 6 B12R0.47 C#CCCCNC(=O)CCCCBr WXVL_AK00218SB3153 [0,0,0,0,0,0|3,0,1]=4 7 B12R0.47 C#CCCCNC(=O)CCCCBr WXVL_AK00218SB3153 [0,0,0,0,0,0|3,0,1]=4 8 B12R0.47 C#CCCCNC(=O)CCCCCl WXVL_AK00218SB0379 [0,0,0,0,0,0|3,0,1]=4 9 B12R0.47 C#CCCCNC(=O)CCCCCl WXVL_AK00218SB0379 [0,0,0,0,0,0|3,0,1]=4 10 B12R0.47 C=CCCCC(=O)NCCCCC WXVL_AK0076SB2920 [0,0,0,0,0,0|2,0,2]=4 11 B12R0.47 C=CCCCC(=O)NCCCCC WXVL_AK0076SB2920 [0,0,0,0,0,0|2,0,2]=4 12 B12R0.47 C=CCCCC(=O)NCCCOC WXVL_AK00637SB2920 [0,0,0,0,0,0|1,1,2]=4 13 B12R0.47 C=CCCCC(=O)NCCCOC WXVL_AK00637SB2920 [0,0,0,0,0,0|1,1,2]=4 14 B12R0.47 C=CCCCC(=O)NCCCSC WXVL_AK0965SB2920 [0,0,0,0,0,0|1,0,2]=3 15 B12R0.47 C=CCCCC(=O)NCCCSC WXVL_AK0965SB2920 [0,0,0,0,0,0|1,0,2]=3 16 B12R0.47 CC/C=C/CC(=O)NCCCCC WXVL_AK0076SB0349 [0,0,0,0,0,0|2,0,2]=4 17 B12R0.47 CC/C=C/CC(=O)NCCCCC WXVL_AK0076SB0349 [0,0,0,0,0,0|2,0,2]=4 18 B12R0.47 CC/C=C/CC(=O)NCCCOC WXVL_AK00637SB0349 [0,0,0,0,0,0|1,1,2]=4 19 B12R0.47 CC/C=C/CC(=O)NCCCOC WXVL_AK00637SB0349 [0,0,0,0,0,0|1,1,2]=4 20 B12R0.47 CC/C=C/CC(=O)NCCCSC WXVL_AK0965SB0349 [0,0,0,0,0,0|1,0,2]=3 21 B12R0.47 CC/C=C/CC(=O)NCCCSC WXVL_AK0965SB0349 [0,0,0,0,0,0|1,0,2]=3 22 B12R0.47 CCCCCNC(=O)CCCCBr WXVL_AK0076SB3153 [0,0,0,0,0,0|3,0,0]=3 23 B12R0.47 CCCCCNC(=O)CCCCBr WXVL_AK0076SB3153 [0,0,0,0,0,0|3,0,0]=3 24 B12R0.47 CCCCCNC(=O)CCCCCl WXVL_AK0076SB0379 [0,0,0,0,0,0|3,0,0]=3 25 B12R0.47 CCCCCNC(=O)CCCCCl WXVL_AK0076SB0379 [0,0,0,0,0,0|3,0,0]=3 26 B12R0.47 CCCCCNC(=O)NCCCCl WXVL_AK0076YV0130 [0,0,0,0,0,0|4,0,0]=4 27 B12R0.47 CCCCCNC(=O)NCCCCl WXVL_AK0076YV0130 [0,0,0,0,0,0|4,0,0]=4 28 B12R0.47 CCCCNC(=O)CCCCCBr WXVL_AK00588SB2192 [0,0,0,0,0,0|4,0,0]=4 29 B12R0.47 CCCCNC(=O)CCCCCBr WXVL_AK00588SB2192 [0,0,0,0,0,0|4,0,0]=4 30 B12R0.47 CCCCNC(=O)CCCCCO WXVL_AK00588SB2973 [0,0,0,0,0,0|4,0,0]=4 31 B12R0.47 CCCCNC(=O)CCCCCO WXVL_AK00588SB2973 [0,0,0,0,0,0|4,0,0]=4 32 B12R0.47 CCCCNC(=O)COCCOC WXVL_AK00588SB0159 [0,0,0,0,0,0|3,1,0]=4 33 B12R0.47 CCCCNC(=O)COCCOC WXVL_AK00588SB0159 [0,0,0,0,0,0|3,1,0]=4 34 B12R0.47 CCO/C=C/C(=O)NCCCSC WXVL_AK0965SB3226 [0,0,0,0,0,0|2,0,2]=4 35 B12R0.47 CCO/C=C/C(=O)NCCCSC WXVL_AK0965SB3226 [0,0,0,0,0,0|2,0,2]=4 36 B12R0.47 CCSCCNC(=O)CCCCBr WXVL_AK00494SB3153 [0,0,0,0,0,0|4,0,0]=4 37 B12R0.47 CCSCCNC(=O)CCCCBr WXVL_AK00494SB3153 [0,0,0,0,0,0|4,0,0]=4 38 B12R0.47 CCSCCNC(=O)CCCCCl WXVL_AK00494SB0379 [0,0,0,0,0,0|4,0,0]=4 39 B12R0.47 CCSCCNC(=O)CCCCCl WXVL_AK00494SB0379 [0,0,0,0,0,0|4,0,0]=4 40 B12R0.47 COCCCNC(=O)CCCCBr WXVL_AK00637SB3153 [0,0,0,0,0,0|2,1,0]=3 41 B12R0.47 COCCCNC(=O)CCCCBr WXVL_AK00637SB3153 [0,0,0,0,0,0|2,1,0]=3 42 B12R0.47 COCCCNC(=O)CCCCCl WXVL_AK00637SB0379 [0,0,0,0,0,0|2,1,0]=3 43 B12R0.47 COCCCNC(=O)CCCCCl WXVL_AK00637SB0379 [0,0,0,0,0,0|2,1,0]=3 44 B12R0.47 COCCCNC(=O)NCCCCl WXVL_AK00637YV0130 [0,0,0,0,0,0|3,1,0]=4 45 B12R0.47 COCCCNC(=O)NCCCCl WXVL_AK00637YV0130 [0,0,0,0,0,0|3,1,0]=4 46 B12R0.47 CSCCCNC(=O)CCCCBr WXVL_AK0965SB3153 [0,0,0,0,0,0|2,0,0]=2 47 B12R0.47 CSCCCNC(=O)CCCCBr WXVL_AK0965SB3153 [0,0,0,0,0,0|2,0,0]=2 48 B12R0.47 CSCCCNC(=O)CCCCCl WXVL_AK0965SB0379 [0,0,0,0,0,0|2,0,0]=2 49 B12R0.47 CSCCCNC(=O)CCCCCl WXVL_AK0965SB0379 [0,0,0,0,0,0|2,0,0]=2 50 B12R0.47 CSCCCNC(=O)NCCCCl WXVL_AK0965YV0130 [0,0,0,0,0,0|3,0,0]=3 51 B12R0.47 CSCCCNC(=O)NCCCCl WXVL_AK0965YV0130 [0,0,0,0,0,0|3,0,0]=3 52 B12R0.47 O=C(CCCCBr)NCCCCO WXVL_AK0075SB3153 [0,0,0,0,0,0|4,0,0]=4 53 B12R0.47 O=C(CCCCBr)NCCCCO WXVL_AK0075SB3153 [0,0,0,0,0,0|4,0,0]=4 54 B12R0.47 O=C(CCCCCl)NCCCCO WXVL_AK0075SB0379 [0,0,0,0,0,0|4,0,0]=4 55 B12R0.47 O=C(CCCCCl)NCCCCO WXVL_AK0075SB0379 [0,0,0,0,0,0|4,0,0]=4 56 B11R0.81 C#CCCC(=O)NCCCSC WXVL_AK0965SB2189 [1,0,0,0,0,0|1,0,2]=4 57 B11R0.81 C#CCCC(=O)NCCCSC WXVL_AK0965SB2189 [1,0,0,0,0,0|1,0,2]=4 58 B11R0.81 C=CCCC(=O)NCCCSC WXVL_AK0965SB1035 [1,0,0,0,0,0|1,0,2]=4 59 B11R0.81 C=CCCC(=O)NCCCSC WXVL_AK0965SB1035 [1,0,0,0,0,0|1,0,2]=4 60 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [1,0,0,0,0,0|3,0,0]=4 61 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [1,0,0,0,0,0|3,0,0]=4 62 B11R0.81 CCCCCNC(=O)CCSC WXVL_AK0076SB0361 [1,0,0,0,0,0|3,0,0]=4 63 B11R0.81 CCCCCNC(=O)CCSC WXVL_AK0076SB0361 [1,0,0,0,0,0|3,0,0]=4 64 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [1,0,0,0,0,0|3,0,0]=4 65 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [1,0,0,0,0,0|3,0,0]=4 66 B11R0.81 CCCCCNC(=O)CSCC WXVL_AK0076SB0002 [1,0,0,0,0,0|3,0,0]=4 67 B11R0.81 CCCCCNC(=O)CSCC WXVL_AK0076SB0002 [1,0,0,0,0,0|3,0,0]=4 68 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [1,0,0,0,0,0|2,1,0]=4 69 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [1,0,0,0,0,0|2,1,0]=4 70 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [1,0,0,0,0,0|2,0,0]=3 71 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [1,0,0,0,0,0|2,0,0]=3 72 B11R0.81 CCSCC(=O)NCCCOC WXVL_AK00637SB0002 [1,0,0,0,0,0|2,1,0]=4 73 B11R0.81 CCSCC(=O)NCCCOC WXVL_AK00637SB0002 [1,0,0,0,0,0|2,1,0]=4 74 B11R0.81 CCSCC(=O)NCCCSC WXVL_AK0965SB0002 [1,0,0,0,0,0|2,0,0]=3 75 B11R0.81 CCSCC(=O)NCCCSC WXVL_AK0965SB0002 [1,0,0,0,0,0|2,0,0]=3 76 B11R0.81 COCCC(=O)NCCCSC WXVL_AK0965SB0156 [1,0,0,0,0,0|2,0,0]=3 77 B11R0.81 COCCC(=O)NCCCSC WXVL_AK0965SB0156 [1,0,0,0,0,0|2,0,0]=3 78 B11R0.81 COCCCNC(=O)CCOC WXVL_AK00637SB0156 [1,0,0,0,0,0|2,1,0]=4 79 B11R0.81 COCCCNC(=O)CCOC WXVL_AK00637SB0156 [1,0,0,0,0,0|2,1,0]=4 80 B11R0.81 COCCCNC(=O)CCSC WXVL_AK00637SB0361 [1,0,0,0,0,0|2,1,0]=4 81 B11R0.81 COCCCNC(=O)CCSC WXVL_AK00637SB0361 [1,0,0,0,0,0|2,1,0]=4 82 B11R0.81 CSCCCNC(=O)CCSC WXVL_AK0965SB0361 [1,0,0,0,0,0|2,0,0]=3 83 B11R0.81 CSCCCNC(=O)CCSC WXVL_AK0965SB0361 [1,0,0,0,0,0|2,0,0]=3 84 B11R0.81 CSCCCNC(=O)NCCCl WXVL_AK0965YV0092 [1,0,0,0,0,0|3,0,0]=4 85 B11R0.81 CSCCCNC(=O)NCCCl WXVL_AK0965YV0092 [1,0,0,0,0,0|3,0,0]=4 86 B11R0.140 C#CCCCC(=O)NCCCC WXVL_AK00588SB2709 [1,0,0,0,0,0|1,0,2]=4 87 B11R0.140 C#CCCCC(=O)NCCCC WXVL_AK00588SB2709 [1,0,0,0,0,0|1,0,2]=4 88 B11R0.140 C#CCCCC(=O)NCCSC WXVL_AK00440SB2709 [1,0,0,0,0,0|1,0,2]=4 89 B11R0.140 C#CCCCC(=O)NCCSC WXVL_AK00440SB2709 [1,0,0,0,0,0|1,0,2]=4 90 B11R0.140 C=CCCCC(=O)NCCCC WXVL_AK00588SB2920 [1,0,0,0,0,0|1,0,2]=4 91 B11R0.140 C=CCCCC(=O)NCCCC WXVL_AK00588SB2920 [1,0,0,0,0,0|1,0,2]=4 92 B11R0.140 C=CCCCC(=O)NCCSC WXVL_AK00440SB2920 [1,0,0,0,0,0|1,0,2]=4 93 B11R0.140 C=CCCCC(=O)NCCSC WXVL_AK00440SB2920 [1,0,0,0,0,0|1,0,2]=4 94 B11R0.140 CC/C=C/CC(=O)NCCCC WXVL_AK00588SB0349 [1,0,0,0,0,0|1,0,2]=4 95 B11R0.140 CC/C=C/CC(=O)NCCCC WXVL_AK00588SB0349 [1,0,0,0,0,0|1,0,2]=4 96 B11R0.140 CC/C=C/CC(=O)NCCSC WXVL_AK00440SB0349 [1,0,0,0,0,0|1,0,2]=4 97 B11R0.140 CC/C=C/CC(=O)NCCSC WXVL_AK00440SB0349 [1,0,0,0,0,0|1,0,2]=4 98 B11R0.140 CCCCNC(=O)CCCCBr WXVL_AK00588SB3153 [1,0,0,0,0,0|2,0,0]=3 99 B11R0.140 CCCCNC(=O)CCCCBr WXVL_AK00588SB3153 [1,0,0,0,0,0|2,0,0]=3 100 B11R0.140 CCCCNC(=O)CCCCCl WXVL_AK00588SB0379 [1,0,0,0,0,0|2,0,0]=3 101 B11R0.140 CCCCNC(=O)CCCCCl WXVL_AK00588SB0379 [1,0,0,0,0,0|2,0,0]=3 102 B11R0.140 CCCCNC(=O)NCCCCl WXVL_AK00588YV0130 [1,0,0,0,0,0|3,0,0]=4 103 B11R0.140 CCCCNC(=O)NCCCCl WXVL_AK00588YV0130 [1,0,0,0,0,0|3,0,0]=4 104 B11R0.140 CSCCNC(=O)CCCCBr WXVL_AK00440SB3153 [1,0,0,0,0,0|2,0,0]=3 105 B11R0.140 CSCCNC(=O)CCCCBr WXVL_AK00440SB3153 [1,0,0,0,0,0|2,0,0]=3 106 B11R0.140 CSCCNC(=O)CCCCCl WXVL_AK00440SB0379 [1,0,0,0,0,0|2,0,0]=3 107 B11R0.140 CSCCNC(=O)CCCCCl WXVL_AK00440SB0379 [1,0,0,0,0,0|2,0,0]=3 108 B11R0.140 CSCCNC(=O)NCCCCl WXVL_AK00440YV0130 [1,0,0,0,0,0|3,0,0]=4 109 B11R0.140 CSCCNC(=O)NCCCCl WXVL_AK00440YV0130 [1,0,0,0,0,0|3,0,0]=4 110 B11R0.140 O=C(CCCCBr)NCCCO WXVL_AK0073SB3153 [1,0,0,0,0,0|2,1,0]=4 111 B11R0.140 O=C(CCCCBr)NCCCO WXVL_AK0073SB3153 [1,0,0,0,0,0|2,1,0]=4 112 B11R0.140 O=C(CCCCCl)NCCCO WXVL_AK0073SB0379 [1,0,0,0,0,0|2,1,0]=4 113 B11R0.140 O=C(CCCCCl)NCCCO WXVL_AK0073SB0379 [1,0,0,0,0,0|2,1,0]=4 114 B13R0.1 C#CCCCNC(=O)CCCC(C)C WXVL_AK00218SB1301 [0,1,0,0,0,0|2,0,1]=4 115 B13R0.1 C#CCCCNC(=O)CCCC(C)C WXVL_AK00218SB1301 [0,1,0,0,0,0|2,0,1]=4 116 B13R0.1 CC(C)CCCC(=O)NCCCCO WXVL_AK0075SB1301 [0,1,0,0,0,0|3,0,0]=4 117 B13R0.1 CC(C)CCCC(=O)NCCCCO WXVL_AK0075SB1301 [0,1,0,0,0,0|3,0,0]=4 118 B13R0.1 CCCCCNC(=O)CCCC(C)C WXVL_AK0076SB1301 [0,1,0,0,0,0|2,0,0]=3 119 B13R0.1 CCCCCNC(=O)CCCC(C)C WXVL_AK0076SB1301 [0,1,0,0,0,0|2,0,0]=3 120 B13R0.1 CCCCCNC(=O)CCCN(C)C WXVL_AK0076SB00055 [0,1,0,0,0,0|3,0,0]=4 121 B13R0.1 CCCCCNC(=O)CCCN(C)C WXVL_AK0076SB00055 [0,1,0,0,0,0|3,0,0]=4 122 B13R0.1 CCSCCNC(=O)CCCC(C)C WXVL_AK00494SB1301 [0,1,0,0,0,0|3,0,0]=4 123 B13R0.1 CCSCCNC(=O)CCCC(C)C WXVL_AK00494SB1301 [0,1,0,0,0,0|3,0,0]=4 124 B13R0.1 COCCCNC(=O)CCCC(C)C WXVL_AK00637SB1301 [0,1,0,0,0,0|1,1,0]=3 125 B13R0.1 COCCCNC(=O)CCCC(C)C WXVL_AK00637SB1301 [0,1,0,0,0,0|1,1,0]=3 126 B13R0.1 COCCCNC(=O)CCCN(C)C WXVL_AK00637SB00055 [0,1,0,0,0,0|2,1,0]=4 127 B13R0.1 COCCCNC(=O)CCCN(C)C WXVL_AK00637SB00055 [0,1,0,0,0,0|2,1,0]=4 128 B13R0.1 CSCCCNC(=O)CCC=C(C)C WXVL_AK0965SB00030 [0,1,0,0,0,0|1,0,2]=4 129 B13R0.1 CSCCCNC(=O)CCC=C(C)C WXVL_AK0965SB00030 [0,1,0,0,0,0|1,0,2]=4 130 B13R0.1 CSCCCNC(=O)CCCC(C)C WXVL_AK0965SB1301 [0,1,0,0,0,0|1,0,0]=2 131 B13R0.1 CSCCCNC(=O)CCCC(C)C WXVL_AK0965SB1301 [0,1,0,0,0,0|1,0,0]=2 132 B13R0.1 CSCCCNC(=O)CCCN(C)C WXVL_AK0965SB00055 [0,1,0,0,0,0|2,0,0]=3 133 B13R0.1 CSCCCNC(=O)CCCN(C)C WXVL_AK0965SB00055 [0,1,0,0,0,0|2,0,0]=3 134 B13R0.1 CSCCCNC(=O)CCNC(=O)C WXVL_AK0965SB0374 [0,1,0,0,0,0|2,0,1]=4 135 B13R0.1 CSCCCNC(=O)CCNC(=O)C WXVL_AK0965SB0374 [0,1,0,0,0,0|2,0,1]=4 136 B13R0.165 C#CCCCNC(=O)CCCCCBr WXVL_AK00218SB2192 [0,1,0,0,0,0|2,0,1]=4 137 B13R0.165 C#CCCCNC(=O)CCCCCBr WXVL_AK00218SB2192 [0,1,0,0,0,0|2,0,1]=4 138 B13R0.165 C#CCCCNC(=O)CCCCCO WXVL_AK00218SB2973 [0,1,0,0,0,0|2,0,1]=4 139 B13R0.165 C#CCCCNC(=O)CCCCCO WXVL_AK00218SB2973 [0,1,0,0,0,0|2,0,1]=4 140 B13R0.165 C#CCOCCC(=O)NCCCSC WXVL_AK0965SBD927 [0,1,0,0,0,0|1,0,2]=4 141 B13R0.165 C#CCOCCC(=O)NCCCSC WXVL_AK0965SBD927 [0,1,0,0,0,0|1,0,2]=4 142 B13R0.165 CCCCCNC(=O)CCCCCBr WXVL_AK0076SB2192 [0,1,0,0,0,0|2,0,0]=3 143 B13R0.165 CCCCCNC(=O)CCCCCBr WXVL_AK0076SB2192 [0,1,0,0,0,0|2,0,0]=3 144 B13R0.165 CCCCCNC(=O)CCCCCO WXVL_AK0076SB2973 [0,1,0,0,0,0|2,0,0]=3 145 B13R0.165 CCCCCNC(=O)CCCCCO WXVL_AK0076SB2973 [0,1,0,0,0,0|2,0,0]=3 146 B13R0.165 CCCCCNC(=O)COCCOC WXVL_AK0076SB0159 [0,1,0,0,0,0|2,1,0]=4 147 B13R0.165 CCCCCNC(=O)COCCOC WXVL_AK0076SB0159 [0,1,0,0,0,0|2,1,0]=4 148 B13R0.165 CCSCCNC(=O)CCCCCBr WXVL_AK00494SB2192 [0,1,0,0,0,0|3,0,0]=4 149 B13R0.165 CCSCCNC(=O)CCCCCBr WXVL_AK00494SB2192 [0,1,0,0,0,0|3,0,0]=4 150 B13R0.165 CCSCCNC(=O)CCCCCO WXVL_AK00494SB2973 [0,1,0,0,0,0|3,0,0]=4 151 B13R0.165 CCSCCNC(=O)CCCCCO WXVL_AK00494SB2973 [0,1,0,0,0,0|3,0,0]=4 152 B13R0.165 COCCCNC(=O)CCCCCBr WXVL_AK00637SB2192 [0,1,0,0,0,0|1,1,0]=3 153 B13R0.165 COCCCNC(=O)CCCCCBr WXVL_AK00637SB2192 [0,1,0,0,0,0|1,1,0]=3 154 B13R0.165 COCCCNC(=O)CCCCCO WXVL_AK00637SB2973 [0,1,0,0,0,0|1,1,0]=3 155 B13R0.165 COCCCNC(=O)CCCCCO WXVL_AK00637SB2973 [0,1,0,0,0,0|1,1,0]=3 156 B13R0.165 COCCCNC(=O)COCCOC WXVL_AK00637SB0159 [0,1,0,0,0,0|2,1,0]=4 157 B13R0.165 COCCCNC(=O)COCCOC WXVL_AK00637SB0159 [0,1,0,0,0,0|2,1,0]=4 158 B13R0.165 COCCOCC(=O)NCCCSC WXVL_AK0965SB0159 [0,1,0,0,0,0|2,0,0]=3 159 B13R0.165 COCCOCC(=O)NCCCSC WXVL_AK0965SB0159 [0,1,0,0,0,0|2,0,0]=3 160 B13R0.165 CSCCCNC(=O)CCCCCBr WXVL_AK0965SB2192 [0,1,0,0,0,0|1,0,0]=2 161 B13R0.165 CSCCCNC(=O)CCCCCBr WXVL_AK0965SB2192 [0,1,0,0,0,0|1,0,0]=2 162 B13R0.165 CSCCCNC(=O)CCCCCO WXVL_AK0965SB2973 [0,1,0,0,0,0|1,0,0]=2 163 B13R0.165 CSCCCNC(=O)CCCCCO WXVL_AK0965SB2973 [0,1,0,0,0,0|1,0,0]=2 164 B13R0.165 O=C(CCCCCBr)NCCCCO WXVL_AK0075SB2192 [0,1,0,0,0,0|3,0,0]=4 165 B13R0.165 O=C(CCCCCBr)NCCCCO WXVL_AK0075SB2192 [0,1,0,0,0,0|3,0,0]=4 166 B13R0.165 O=C(CCCCCO)NCCCCO WXVL_AK0075SB2973 [0,1,0,0,0,0|3,0,0]=4 167 B13R0.165 O=C(CCCCCO)NCCCCO WXVL_AK0075SB2973 [0,1,0,0,0,0|3,0,0]=4 168 B13R0.330 CCOC(=O)CC(=O)NCCCSC WXVL_AK0965SB3094 [0,1,0,0,0,0|2,0,1]=4 169 B13R0.330 CCOC(=O)CC(=O)NCCCSC WXVL_AK0965SB3094 [0,1,0,0,0,0|2,0,1]=4 170 B13R0.338 CCCCC/C=C/C(=O)NCCCC WXVL_AK00588SB3331 [0,1,0,0,0,0|3,0,0]=4 171 B13R0.338 CCCCC/C=C/C(=O)NCCCC WXVL_AK00588SB3331 [0,1,0,0,0,0|3,0,0]=4 172 B13R0.338 CCCCCCCC(=O)NCCCC WXVL_AK00588SB0393 [0,1,0,0,0,0|3,0,0]=4 173 B13R0.338 CCCCCCCC(=O)NCCCC WXVL_AK00588SB0393 [0,1,0,0,0,0|3,0,0]=4 174 B13R0.338 CCCCCCNC(=O)CCCCBr WXVL_AK0286SB3153 [0,1,0,0,0,0|3,0,0]=4 175 B13R0.338 CCCCCCNC(=O)CCCCBr WXVL_AK0286SB3153 [0,1,0,0,0,0|3,0,0]=4 176 B13R0.338 CCCCCCNC(=O)CCCCCl WXVL_AK0286SB0379 [0,1,0,0,0,0|3,0,0]=4 177 B13R0.338 CCCCCCNC(=O)CCCCCl WXVL_AK0286SB0379 [0,1,0,0,0,0|3,0,0]=4 178 B13R0.338 CCCCNC(=O)CCCCCCBr WXVL_AK00588SB1386 [0,1,0,0,0,0|3,0,0]=4 179 B13R0.338 CCCCNC(=O)CCCCCCBr WXVL_AK00588SB1386 [0,1,0,0,0,0|3,0,0]=4 180 B13R0.338 CCOCCCNC(=O)CCCCBr WXVL_AK0072SB3153 [0,1,0,0,0,0|2,1,0]=4 181 B13R0.338 CCOCCCNC(=O)CCCCBr WXVL_AK0072SB3153 [0,1,0,0,0,0|2,1,0]=4 182 B13R0.338 CCOCCCNC(=O)CCCCCl WXVL_AK0072SB0379 [0,1,0,0,0,0|2,1,0]=4 183 B13R0.338 CCOCCCNC(=O)CCCCCl WXVL_AK0072SB0379 [0,1,0,0,0,0|2,1,0]=4 184 B13R0.338 O=C(CCCCBr)NCCCCCO WXVL_AK0077SB3153 [0,1,0,0,0,0|3,0,0]=4 185 B13R0.338 O=C(CCCCBr)NCCCCCO WXVL_AK0077SB3153 [0,1,0,0,0,0|3,0,0]=4 186 B13R0.338 O=C(CCCCCl)NCCCCCO WXVL_AK0077SB0379 [0,1,0,0,0,0|3,0,0]=4 187 B13R0.338 O=C(CCCCCl)NCCCCCO WXVL_AK0077SB0379 [0,1,0,0,0,0|3,0,0]=4 188 B13R0.398 CCCCCC(C)C(=O)NCCCC WXVL_AK00588SB0394 [0,1,0,0,0,0|3,0,0]=4 189 B13R0.398 CCCCCC(C)C(=O)NCCCC WXVL_AK00588SB0394 [0,1,0,0,0,0|3,0,0]=4 190 B13R0.1129 CCOCCS(=O)(=O)NCCCSC WXVL_AK0965HU0315 [0,1,0,0,0,0|3,0,0]=4 191 B13R0.1129 CCOCCS(=O)(=O)NCCCSC WXVL_AK0965HU0315 [0,1,0,0,0,0|3,0,0]=4 192 B13R0.1129 CSCCCNS(=O)(=O)CCCCCl WXVL_AK0965HU0456 [0,1,0,0,0,0|3,0,0]=4 193 B13R0.1129 CSCCCNS(=O)(=O)CCCCCl WXVL_AK0965HU0456 [0,1,0,0,0,0|3,0,0]=4 194 B13R0.1170 COC(=O)CCC(=O)NCCCSC WXVL_AK0965SB0069 [0,1,0,0,0,0|2,0,1]=4 195 B13R0.1170 COC(=O)CCC(=O)NCCCSC WXVL_AK0965SB0069 [0,1,0,0,0,0|2,0,1]=4 196 B13R0.1171 C#CCCCNC(=O)C(O)CCCC WXVL_AK00218SB3429 [0,1,0,0,0,0|2,0,1]=4 197 B13R0.1171 C#CCCCNC(=O)C(O)CCCC WXVL_AK00218SB3429 [0,1,0,0,0,0|2,0,1]=4 198 B13R0.1171 CCCCC(O)C(=O)NCCCCO WXVL_AK0075SB3429 [0,1,0,0,0,0|3,0,0]=4 199 B13R0.1171 CCCCC(O)C(=O)NCCCCO WXVL_AK0075SB3429 [0,1,0,0,0,0|3,0,0]=4 200 B13R0.1171 CCCCC(O)C(=O)NCCCOC WXVL_AK00637SB3429 [0,1,0,0,0,0|1,1,0]=3 201 B13R0.1171 CCCCC(O)C(=O)NCCCOC WXVL_AK00637SB3429 [0,1,0,0,0,0|1,1,0]=3 202 B13R0.1171 CCCCC(O)C(=O)NCCCSC WXVL_AK0965SB3429 [0,1,0,0,0,0|1,0,0]=2 203 B13R0.1171 CCCCC(O)C(=O)NCCCSC WXVL_AK0965SB3429 [0,1,0,0,0,0|1,0,0]=2 204 B13R0.1171 CCCCC(O)C(=O)NCCSCC WXVL_AK00494SB3429 [0,1,0,0,0,0|3,0,0]=4 205 B13R0.1171 CCCCC(O)C(=O)NCCSCC WXVL_AK00494SB3429 [0,1,0,0,0,0|3,0,0]=4 206 B13R0.1171 CCCCCNC(=O)C(O)CCCC WXVL_AK0076SB3429 [0,1,0,0,0,0|2,0,0]=3 207 B13R0.1171 CCCCCNC(=O)C(O)CCCC WXVL_AK0076SB3429 [0,1,0,0,0,0|2,0,0]=3 208 B13R1.24 CCCCNC(=O)C1CCCCC1 WXVL_AK00588SB0047 [0,0,0,1,0,0|3,0,0]=4 209 B13R1.24 CCCCNC(=O)C1CCCCC1 WXVL_AK00588SB0047 [0,0,0,1,0,0|3,0,0]=4 210 B13R1.48 C#CCCCNC(=O)C1CCCC1 WXVL_AK00218SB0043 [0,0,0,1,0,0|2,0,1]=4 211 B13R1.48 C#CCCCNC(=O)C1CCCC1 WXVL_AK00218SB0043 [0,0,0,1,0,0|2,0,1]=4 212 B13R1.48 CCCCCNC(=O)C1CCCC1 WXVL_AK0076SB0043 [0,0,0,1,0,0|2,0,0]=3 213 B13R1.48 CCCCCNC(=O)C1CCCC1 WXVL_AK0076SB0043 [0,0,0,1,0,0|2,0,0]=3 214 B13R1.48 CCCCCNC(=O)C1CCCO1 WXVL_AK0076SB1033 [0,0,0,1,0,0|3,0,0]=4 215 B13R1.48 CCCCCNC(=O)C1CCCO1 WXVL_AK0076SB1033 [0,0,0,1,0,0|3,0,0]=4 216 B13R1.48 CCCCCNC(=O)C1CCCS1 WXVL_AK0076SB0022 [0,0,0,1,0,0|3,0,0]=4 217 B13R1.48 CCCCCNC(=O)C1CCCS1 WXVL_AK0076SB0022 [0,0,0,1,0,0|3,0,0]=4 218 B13R1.48 CCCCCNC(=O)[C@H]1CCCO1 WXVL_AK0076SB00043 [0,0,0,1,0,0|3,0,0]=4 219 B13R1.48 CCCCCNC(=O)[C@H]1CCCO1 WXVL_AK0076SB00043 [0,0,0,1,0,0|3,0,0]=4 220 B13R1.48 CCSCCNC(=O)C1CCCC1 WXVL_AK00494SB0043 [0,0,0,1,0,0|3,0,0]=4 221 B13R1.48 CCSCCNC(=O)C1CCCC1 WXVL_AK00494SB0043 [0,0,0,1,0,0|3,0,0]=4 222 B13R1.48 COCCCNC(=O)C1CCCC1 WXVL_AK00637SB0043 [0,0,0,1,0,0|1,1,0]=3 223 B13R1.48 COCCCNC(=O)C1CCCC1 WXVL_AK00637SB0043 [0,0,0,1,0,0|1,1,0]=3 224 B13R1.48 COCCCNC(=O)C1CCCO1 WXVL_AK00637SB1033 [0,0,0,1,0,0|2,1,0]=4 225 B13R1.48 COCCCNC(=O)C1CCCO1 WXVL_AK00637SB1033 [0,0,0,1,0,0|2,1,0]=4 226 B13R1.48 COCCCNC(=O)C1CCCS1 WXVL_AK00637SB0022 [0,0,0,1,0,0|2,1,0]=4 227 B13R1.48 COCCCNC(=O)C1CCCS1 WXVL_AK00637SB0022 [0,0,0,1,0,0|2,1,0]=4 228 B13R1.48 COCCCNC(=O)[C@H]1CCCO1 WXVL_AK00637SB00043 [0,0,0,1,0,0|2,1,0]=4 229 B13R1.48 COCCCNC(=O)[C@H]1CCCO1 WXVL_AK00637SB00043 [0,0,0,1,0,0|2,1,0]=4 230 B13R1.48 CSCCCNC(=O)C1CCCC1 WXVL_AK0965SB0043 [0,0,0,1,0,0|1,0,0]=2 231 B13R1.48 CSCCCNC(=O)C1CCCC1 WXVL_AK0965SB0043 [0,0,0,1,0,0|1,0,0]=2 232 B13R1.48 CSCCCNC(=O)C1CCCO1 WXVL_AK0965SB1033 [0,0,0,1,0,0|2,0,0]=3 233 B13R1.48 CSCCCNC(=O)C1CCCO1 WXVL_AK0965SB1033 [0,0,0,1,0,0|2,0,0]=3 234 B13R1.48 CSCCCNC(=O)C1CCCS1 WXVL_AK0965SB0022 [0,0,0,1,0,0|2,0,0]=3 235 B13R1.48 CSCCCNC(=O)C1CCCS1 WXVL_AK0965SB0022 [0,0,0,1,0,0|2,0,0]=3 236 B13R1.48 CSCCCNC(=O)[C@H]1CCCO1 WXVL_AK0965SB00043 [0,0,0,1,0,0|2,0,0]=3 237 B13R1.48 CSCCCNC(=O)[C@H]1CCCO1 WXVL_AK0965SB00043 [0,0,0,1,0,0|2,0,0]=3 238 B13R1.48 O=C(NCCCCO)C1CCCC1 WXVL_AK0075SB0043 [0,0,0,1,0,0|3,0,0]=4 239 B13R1.48 O=C(NCCCCO)C1CCCC1 WXVL_AK0075SB0043 [0,0,0,1,0,0|3,0,0]=4 240 B13R1.156 CCCCNC(=O)CC1CCCC1 WXVL_AK00588SB0044 [0,0,0,1,0,0|3,0,0]=4 241 B13R1.156 CCCCNC(=O)CC1CCCC1 WXVL_AK00588SB0044 [0,0,0,1,0,0|3,0,0]=4 242 B13R1.725 CCCCNC(=O)C1CCCC1C WXVL_AK00588SB0904 [0,0,0,1,0,0|3,0,0]=4 243 B13R1.725 CCCCNC(=O)C1CCCC1C WXVL_AK00588SB0904 [0,0,0,1,0,0|3,0,0]=4 244 B13R1.725 CCCCNC(=O)[C@@H]1CCCN1C WXVL_AK00588SB1197 [0,0,0,1,0,0|3,0,0]=4 245 B13R1.725 CCCCNC(=O)[C@@H]1CCCN1C WXVL_AK00588SB1197 [0,0,0,1,0,0|3,0,0]=4 246 B13R1.725 C[C@@H]1CCCN1C(=O)CCCCBr WXVL_AN00593SB3153 [0,0,0,1,0,0|3,0,0]=4 247 B13R1.725 C[C@@H]1CCCN1C(=O)CCCCCl WXVL_AN00593SB0379 [0,0,0,1,0,0|3,0,0]=4 248 B13R1.728 CCCCNC(=O)CCC1CCC1 WXVL_AK00588SB8784 [0,0,0,1,0,0|3,0,0]=4 249 B13R1.728 CCCCNC(=O)CCC1CCC1 WXVL_AK00588SB8784 [0,0,0,1,0,0|3,0,0]=4 250 B13R1.728 O=C(CCCCBr)NCC1CCC1 WXVL_AK00492SB3153 [0,0,0,1,0,0|3,0,0]=4 251 B13R1.728 O=C(CCCCBr)NCC1CCC1 WXVL_AK00492SB3153 [0,0,0,1,0,0|3,0,0]=4 252 B13R1.728 O=C(CCCCBr)NCC1COC1 WXVL_AK0186SB3153 [0,0,0,1,0,0|2,1,0]=4 253 B13R1.728 O=C(CCCCBr)NCC1COC1 WXVL_AK0186SB3153 [0,0,0,1,0,0|2,1,0]=4 254 B13R1.728 O=C(CCCCCl)NCC1CCC1 WXVL_AK00492SB0379 [0,0,0,1,0,0|3,0,0]=4 255 B13R1.728 O=C(CCCCCl)NCC1CCC1 WXVL_AK00492SB0379 [0,0,0,1,0,0|3,0,0]=4 256 B13R1.728 O=C(CCCCCl)NCC1COC1 WXVL_AK0186SB0379 [0,0,0,1,0,0|2,1,0]=4 257 B13R1.728 O=C(CCCCCl)NCC1COC1 WXVL_AK0186SB0379 [0,0,0,1,0,0|2,1,0]=4 258 B13R1.729 O=C(CCCCBr)NCCC1CC1 WXVL_AK00594SB3153 [0,0,0,1,0,0|3,0,0]=4 259 B13R1.729 O=C(CCCCBr)NCCC1CC1 WXVL_AK00594SB3153 [0,0,0,1,0,0|3,0,0]=4 260 B13R1.729 O=C(CCCCCl)NCCC1CC1 WXVL_AK00594SB0379 [0,0,0,1,0,0|3,0,0]=4 261 B13R1.729 O=C(CCCCCl)NCCC1CC1 WXVL_AK00594SB0379 [0,0,0,1,0,0|3,0,0]=4 262 B13R1.2916 C#CCCCNC(=O)CC1CCC1 WXVL_AK00218SB2207 [0,0,0,1,0,0|2,0,1]=4 263 B13R1.2916 C#CCCCNC(=O)CC1CCC1 WXVL_AK00218SB2207 [0,0,0,1,0,0|2,0,1]=4 264 B13R1.2916 CCCCCNC(=O)CC1CCC1 WXVL_AK0076SB2207 [0,0,0,1,0,0|2,0,0]=3 265 B13R1.2916 CCCCCNC(=O)CC1CCC1 WXVL_AK0076SB2207 [0,0,0,1,0,0|2,0,0]=3 266 B13R1.2916 CCSCCNC(=O)CC1CCC1 WXVL_AK00494SB2207 [0,0,0,1,0,0|3,0,0]=4 267 B13R1.2916 CCSCCNC(=O)CC1CCC1 WXVL_AK00494SB2207 [0,0,0,1,0,0|3,0,0]=4 268 B13R1.2916 COCCCNC(=O)CC1CCC1 WXVL_AK00637SB2207 [0,0,0,1,0,0|1,1,0]=3 269 B13R1.2916 COCCCNC(=O)CC1CCC1 WXVL_AK00637SB2207 [0,0,0,1,0,0|1,1,0]=3 270 B13R1.2916 CSCCCNC(=O)CC1CCC1 WXVL_AK0965SB2207 [0,0,0,1,0,0|1,0,0]=2 271 B13R1.2916 CSCCCNC(=O)CC1CCC1 WXVL_AK0965SB2207 [0,0,0,1,0,0|1,0,0]=2 272 B13R1.2916 O=C(CC1CCC1)NCCCCO WXVL_AK0075SB2207 [0,0,0,1,0,0|3,0,0]=4 273 B13R1.2916 O=C(CC1CCC1)NCCCCO WXVL_AK0075SB2207 [0,0,0,1,0,0|3,0,0]=4 274 B13R1.2917 C#CCCCNC(=O)CCC1CC1 WXVL_AK00218SB5360 [0,0,0,1,0,0|2,0,1]=4 275 B13R1.2917 C#CCCCNC(=O)CCC1CC1 WXVL_AK00218SB5360 [0,0,0,1,0,0|2,0,1]=4 276 B13R1.2917 CCCCCNC(=O)CCC1CC1 WXVL_AK0076SB5360 [0,0,0,1,0,0|2,0,0]=3 277 B13R1.2917 CCCCCNC(=O)CCC1CC1 WXVL_AK0076SB5360 [0,0,0,1,0,0|2,0,0]=3 278 B13R1.2917 CCSCCNC(=O)CCC1CC1 WXVL_AK00494SB5360 [0,0,0,1,0,0|3,0,0]=4 279 B13R1.2917 CCSCCNC(=O)CCC1CC1 WXVL_AK00494SB5360 [0,0,0,1,0,0|3,0,0]=4 280 B13R1.2917 COCCCNC(=O)CCC1CC1 WXVL_AK00637SB5360 [0,0,0,1,0,0|1,1,0]=3 281 B13R1.2917 COCCCNC(=O)CCC1CC1 WXVL_AK00637SB5360 [0,0,0,1,0,0|1,1,0]=3 282 B13R1.2917 CSCCCNC(=O)C=CC1CC1 WXVL_AK0965SB4216 [0,0,0,1,0,0|1,0,2]=4 283 B13R1.2917 CSCCCNC(=O)C=CC1CC1 WXVL_AK0965SB4216 [0,0,0,1,0,0|1,0,2]=4 284 B13R1.2917 CSCCCNC(=O)CCC1CC1 WXVL_AK0965SB5360 [0,0,0,1,0,0|1,0,0]=2 285 B13R1.2917 CSCCCNC(=O)CCC1CC1 WXVL_AK0965SB5360 [0,0,0,1,0,0|1,0,0]=2 286 B13R1.2917 O=C(CCC1CC1)NCCCCO WXVL_AK0075SB5360 [0,0,0,1,0,0|3,0,0]=4 287 B13R1.2917 O=C(CCC1CC1)NCCCCO WXVL_AK0075SB5360 [0,0,0,1,0,0|3,0,0]=4 288 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [2,0,0,0,0,0|1,1,0]=4 289 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [2,0,0,0,0,0|1,1,0]=4 290 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [2,0,0,0,0,0|1,0,0]=3 291 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [2,0,0,0,0,0|1,0,0]=3 292 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [2,0,0,0,0,0|2,0,0]=4 293 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [2,0,0,0,0,0|2,0,0]=4 294 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [2,0,0,0,0,0|2,0,0]=4 295 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [2,0,0,0,0,0|2,0,0]=4 296 B10R0.1 CSCCCNC(=O)CSC WXVL_AK0965SB1267 [2,0,0,0,0,0|2,0,0]=4 297 B10R0.1 CSCCCNC(=O)CSC WXVL_AK0965SB1267 [2,0,0,0,0,0|2,0,0]=4 298 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [2,0,0,0,0,0|1,1,0]=4 299 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [2,0,0,0,0,0|1,1,0]=4 300 B10R0.91 CCCCNC(=O)CCSC WXVL_AK00588SB0361 [2,0,0,0,0,0|1,0,0]=3 301 B10R0.91 CCCCNC(=O)CCSC WXVL_AK00588SB0361 [2,0,0,0,0,0|1,0,0]=3 302 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [2,0,0,0,0,0|2,0,0]=4 303 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [2,0,0,0,0,0|2,0,0]=4 304 B10R0.91 CCCCNC(=O)CSCC WXVL_AK00588SB0002 [2,0,0,0,0,0|2,0,0]=4 305 B10R0.91 CCCCNC(=O)CSCC WXVL_AK00588SB0002 [2,0,0,0,0,0|2,0,0]=4 306 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [2,0,0,0,0,0|2,0,0]=4 307 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [2,0,0,0,0,0|2,0,0]=4 308 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [2,0,0,0,0,0|2,0,0]=4 309 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [2,0,0,0,0,0|2,0,0]=4 310 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [2,0,0,0,0,0|2,0,0]=4 311 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [2,0,0,0,0,0|2,0,0]=4 312 B10R0.91 CCSCC(=O)NCCSC WXVL_AK00440SB0002 [2,0,0,0,0,0|2,0,0]=4 313 B10R0.91 CCSCC(=O)NCCSC WXVL_AK00440SB0002 [2,0,0,0,0,0|2,0,0]=4 314 B10R0.91 COCCC(=O)NCCSC WXVL_AK00440SB0156 [2,0,0,0,0,0|2,0,0]=4 315 B10R0.91 COCCC(=O)NCCSC WXVL_AK00440SB0156 [2,0,0,0,0,0|2,0,0]=4 316 B10R0.91 CSCCC(=O)NCCCO WXVL_AK0073SB0361 [2,0,0,0,0,0|2,0,0]=4 317 B10R0.91 CSCCC(=O)NCCCO WXVL_AK0073SB0361 [2,0,0,0,0,0|2,0,0]=4 318 B10R0.91 CSCCNC(=O)CCSC WXVL_AK00440SB0361 [2,0,0,0,0,0|2,0,0]=4 319 B10R0.91 CSCCNC(=O)CCSC WXVL_AK00440SB0361 [2,0,0,0,0,0|2,0,0]=4 320 B12R0.113 CCC(C)CC(=O)NCCCOC WXVL_AK00637SB0353 [1,1,0,0,0,0|1,1,0]=4 321 B12R0.113 CCC(C)CC(=O)NCCCOC WXVL_AK00637SB0353 [1,1,0,0,0,0|1,1,0]=4 322 B12R0.113 CCC(C)CC(=O)NCCCSC WXVL_AK0965SB0353 [1,1,0,0,0,0|1,0,0]=3 323 B12R0.113 CCC(C)CC(=O)NCCCSC WXVL_AK0965SB0353 [1,1,0,0,0,0|1,0,0]=3 324 B12R0.113 CCC(O)CC(=O)NCCCOC WXVL_AK00637SB4092 [1,1,0,0,0,0|1,1,0]=4 325 B12R0.113 CCC(O)CC(=O)NCCCOC WXVL_AK00637SB4092 [1,1,0,0,0,0|1,1,0]=4 326 B12R0.113 CCC(O)CC(=O)NCCCSC WXVL_AK0965SB4092 [1,1,0,0,0,0|1,0,0]=3 327 B12R0.113 CCC(O)CC(=O)NCCCSC WXVL_AK0965SB4092 [1,1,0,0,0,0|1,0,0]=3 328 B12R0.113 CCCCCNC(=O)CC(C)CC WXVL_AK0076SB0353 [1,1,0,0,0,0|2,0,0]=4 329 B12R0.113 CCCCCNC(=O)CC(C)CC WXVL_AK0076SB0353 [1,1,0,0,0,0|2,0,0]=4 330 B12R0.113 CCCCCNC(=O)CC(O)CC WXVL_AK0076SB4092 [1,1,0,0,0,0|2,0,0]=4 331 B12R0.113 CCCCCNC(=O)CC(O)CC WXVL_AK0076SB4092 [1,1,0,0,0,0|2,0,0]=4 332 B12R0.113 CCCCCNC(=O)C[C@H](C)CC WXVL_AK0076SB8650 [1,1,0,0,0,0|2,0,0]=4 333 B12R0.113 CCCCCNC(=O)C[C@H](C)CC WXVL_AK0076SB8650 [1,1,0,0,0,0|2,0,0]=4 334 B12R0.113 CC[C@@H](C)CC(=O)NCCCOC WXVL_AK00637SB8650 [1,1,0,0,0,0|1,1,0]=4 335 B12R0.113 CC[C@@H](C)CC(=O)NCCCOC WXVL_AK00637SB8650 [1,1,0,0,0,0|1,1,0]=4 336 B12R0.113 CC[C@@H](C)CC(=O)NCCCSC WXVL_AK0965SB8650 [1,1,0,0,0,0|1,0,0]=3 337 B12R0.113 CC[C@@H](C)CC(=O)NCCCSC WXVL_AK0965SB8650 [1,1,0,0,0,0|1,0,0]=3 338 B12R0.114 CCCC(C)C(=O)NCCCOC WXVL_AK00637SB0352 [1,1,0,0,0,0|1,1,0]=4 339 B12R0.114 CCCC(C)C(=O)NCCCOC WXVL_AK00637SB0352 [1,1,0,0,0,0|1,1,0]=4 340 B12R0.114 CCCC(C)C(=O)NCCCSC WXVL_AK0965SB0352 [1,1,0,0,0,0|1,0,0]=3 341 B12R0.114 CCCC(C)C(=O)NCCCSC WXVL_AK0965SB0352 [1,1,0,0,0,0|1,0,0]=3 342 B12R0.114 CCCCCNC(=O)C(C)CCC WXVL_AK0076SB0352 [1,1,0,0,0,0|2,0,0]=4 343 B12R0.114 CCCCCNC(=O)C(C)CCC WXVL_AK0076SB0352 [1,1,0,0,0,0|2,0,0]=4 344 B12R0.114 CCCCCNC(=O)[C@@H](O)CCC WXVL_AK0076SB3627 [1,1,0,0,0,0|2,0,0]=4 345 B12R0.114 CCCCCNC(=O)[C@@H](O)CCC WXVL_AK0076SB3627 [1,1,0,0,0,0|2,0,0]=4 346 B12R0.114 CCC[C@H](O)C(=O)NCCCOC WXVL_AK00637SB3627 [1,1,0,0,0,0|1,1,0]=4 347 B12R0.114 CCC[C@H](O)C(=O)NCCCOC WXVL_AK00637SB3627 [1,1,0,0,0,0|1,1,0]=4 348 B12R0.114 CCC[C@H](O)C(=O)NCCCSC WXVL_AK0965SB3627 [1,1,0,0,0,0|1,0,0]=3 349 B12R0.114 CCC[C@H](O)C(=O)NCCCSC WXVL_AK0965SB3627 [1,1,0,0,0,0|1,0,0]=3 350 B12R0.255 CCCCCNC(=O)CCC(C)C WXVL_AK0076SB0354 [1,1,0,0,0,0|2,0,0]=4 351 B12R0.255 CCCCCNC(=O)CCC(C)C WXVL_AK0076SB0354 [1,1,0,0,0,0|2,0,0]=4 352 B12R0.255 COCCCNC(=O)CCC(C)C WXVL_AK00637SB0354 [1,1,0,0,0,0|1,1,0]=4 353 B12R0.255 COCCCNC(=O)CCC(C)C WXVL_AK00637SB0354 [1,1,0,0,0,0|1,1,0]=4 354 B12R0.255 CSCCCNC(=O)CCC(=O)C WXVL_AK0965SB0072 [1,1,0,0,0,0|1,0,1]=4 355 B12R0.255 CSCCCNC(=O)CCC(=O)C WXVL_AK0965SB0072 [1,1,0,0,0,0|1,0,1]=4 356 B12R0.255 CSCCCNC(=O)CCC(C)C WXVL_AK0965SB0354 [1,1,0,0,0,0|1,0,0]=3 357 B12R0.255 CSCCCNC(=O)CCC(C)C WXVL_AK0965SB0354 [1,1,0,0,0,0|1,0,0]=3 358 B12R0.255 CSCCCNC(=O)CCN(C)C WXVL_AK0965SB00052 [1,1,0,0,0,0|2,0,0]=4 359 B12R0.255 CSCCCNC(=O)CCN(C)C WXVL_AK0965SB00052 [1,1,0,0,0,0|2,0,0]=4 360 B12R0.255 CSCCCNC(=O)COC(C)C WXVL_AK0965SB0213 [1,1,0,0,0,0|2,0,0]=4 361 B12R0.255 CSCCCNC(=O)COC(C)C WXVL_AK0965SB0213 [1,1,0,0,0,0|2,0,0]=4 362 B12R0.585 CCCCS(=O)(=O)NCCCSC WXVL_AK0965HU0031 [1,1,0,0,0,0|2,0,0]=4 363 B12R0.585 CCCCS(=O)(=O)NCCCSC WXVL_AK0965HU0031 [1,1,0,0,0,0|2,0,0]=4 364 B12R0.233 CC(C)CCCC(=O)NCCCO WXVL_AK0073SB1301 [1,1,0,0,0,0|1,1,0]=4 365 B12R0.233 CC(C)CCCC(=O)NCCCO WXVL_AK0073SB1301 [1,1,0,0,0,0|1,1,0]=4 366 B12R0.233 CC(C)CCNC(=O)CCCCBr WXVL_AK0068SB3153 [1,1,0,0,0,0|2,0,0]=4 367 B12R0.233 CC(C)CCNC(=O)CCCCBr WXVL_AK0068SB3153 [1,1,0,0,0,0|2,0,0]=4 368 B12R0.233 CC(C)CCNC(=O)CCCCCl WXVL_AK0068SB0379 [1,1,0,0,0,0|2,0,0]=4 369 B12R0.233 CC(C)CCNC(=O)CCCCCl WXVL_AK0068SB0379 [1,1,0,0,0,0|2,0,0]=4 370 B12R0.233 CCCCNC(=O)CCCC(C)C WXVL_AK00588SB1301 [1,1,0,0,0,0|1,0,0]=3 371 B12R0.233 CCCCNC(=O)CCCC(C)C WXVL_AK00588SB1301 [1,1,0,0,0,0|1,0,0]=3 372 B12R0.233 CCCCNC(=O)CCCN(C)C WXVL_AK00588SB00055 [1,1,0,0,0,0|2,0,0]=4 373 B12R0.233 CCCCNC(=O)CCCN(C)C WXVL_AK00588SB00055 [1,1,0,0,0,0|2,0,0]=4 374 B12R0.233 CSCCNC(=O)CCCC(C)C WXVL_AK00440SB1301 [1,1,0,0,0,0|1,0,0]=3 375 B12R0.233 CSCCNC(=O)CCCC(C)C WXVL_AK00440SB1301 [1,1,0,0,0,0|1,0,0]=3 376 B12R0.233 CSCCNC(=O)CCCN(C)C WXVL_AK00440SB00055 [1,1,0,0,0,0|2,0,0]=4 377 B12R0.233 CSCCNC(=O)CCCN(C)C WXVL_AK00440SB00055 [1,1,0,0,0,0|2,0,0]=4 378 B12R0.239 CCC[C@H](C)NC(=O)CCCCBr WXVL_AK00682SB3153 [1,1,0,0,0,0|2,0,0]=4 379 B12R0.239 CCC[C@H](C)NC(=O)CCCCBr WXVL_AK00682SB3153 [1,1,0,0,0,0|2,0,0]=4 380 B12R0.239 CCC[C@H](C)NC(=O)CCCCCl WXVL_AK00682SB0379 [1,1,0,0,0,0|2,0,0]=4 381 B12R0.239 CCC[C@H](C)NC(=O)CCCCCl WXVL_AK00682SB0379 [1,1,0,0,0,0|2,0,0]=4 382 B14R0.2 CC(C)CCCC(=O)NCCCCCO WXVL_AK0077SB1301 [0,2,0,0,0,0|2,0,0]=4 383 B14R0.2 CC(C)CCCC(=O)NCCCCCO WXVL_AK0077SB1301 [0,2,0,0,0,0|2,0,0]=4 384 B14R0.2 CCCCCCNC(=O)CCCC(C)C WXVL_AK0286SB1301 [0,2,0,0,0,0|2,0,0]=4 385 B14R0.2 CCCCCCNC(=O)CCCC(C)C WXVL_AK0286SB1301 [0,2,0,0,0,0|2,0,0]=4 386 B14R0.2 CCOCCCNC(=O)CCCC(C)C WXVL_AK0072SB1301 [0,2,0,0,0,0|1,1,0]=4 387 B14R0.2 CCOCCCNC(=O)CCCC(C)C WXVL_AK0072SB1301 [0,2,0,0,0,0|1,1,0]=4 388 B14R0.200 CSCCCNC(=O)CCCC(F)(F)F WXVL_AK0965SB1398 [0,2,0,0,0,0|2,0,0]=4 389 B14R0.200 CSCCCNC(=O)CCCC(F)(F)F WXVL_AK0965SB1398 [0,2,0,0,0,0|2,0,0]=4 390 B14R0.145 CCCCC/C=C/C(=O)NCCCCC WXVL_AK0076SB3331 [0,2,0,0,0,0|2,0,0]=4 391 B14R0.145 CCCCC/C=C/C(=O)NCCCCC WXVL_AK0076SB3331 [0,2,0,0,0,0|2,0,0]=4 392 B14R0.145 CCCCC/C=C/C(=O)NCCCOC WXVL_AK00637SB3331 [0,2,0,0,0,0|1,1,0]=4 393 B14R0.145 CCCCC/C=C/C(=O)NCCCOC WXVL_AK00637SB3331 [0,2,0,0,0,0|1,1,0]=4 394 B14R0.145 CCCCC/C=C/C(=O)NCCCSC WXVL_AK0965SB3331 [0,2,0,0,0,0|1,0,0]=3 395 B14R0.145 CCCCC/C=C/C(=O)NCCCSC WXVL_AK0965SB3331 [0,2,0,0,0,0|1,0,0]=3 396 B14R0.145 CCCCCCCC(=O)NCCCCC WXVL_AK0076SB0393 [0,2,0,0,0,0|2,0,0]=4 397 B14R0.145 CCCCCCCC(=O)NCCCCC WXVL_AK0076SB0393 [0,2,0,0,0,0|2,0,0]=4 398 B14R0.145 CCCCCCCC(=O)NCCCOC WXVL_AK00637SB0393 [0,2,0,0,0,0|1,1,0]=4 399 B14R0.145 CCCCCCCC(=O)NCCCOC WXVL_AK00637SB0393 [0,2,0,0,0,0|1,1,0]=4 400 B14R0.145 CCCCCCCC(=O)NCCCSC WXVL_AK0965SB0393 [0,2,0,0,0,0|1,0,0]=3 401 B14R0.145 CCCCCCCC(=O)NCCCSC WXVL_AK0965SB0393 [0,2,0,0,0,0|1,0,0]=3 402 B14R0.145 CCCCCCNC(=O)CCCCCBr WXVL_AK0286SB2192 [0,2,0,0,0,0|2,0,0]=4 403 B14R0.145 CCCCCCNC(=O)CCCCCBr WXVL_AK0286SB2192 [0,2,0,0,0,0|2,0,0]=4 404 B14R0.145 CCCCCCNC(=O)CCCCCO WXVL_AK0286SB2973 [0,2,0,0,0,0|2,0,0]=4 405 B14R0.145 CCCCCCNC(=O)CCCCCO WXVL_AK0286SB2973 [0,2,0,0,0,0|2,0,0]=4 406 B14R0.145 CCCCCNC(=O)CCCCCCBr WXVL_AK0076SB1386 [0,2,0,0,0,0|2,0,0]=4 407 B14R0.145 CCCCCNC(=O)CCCCCCBr WXVL_AK0076SB1386 [0,2,0,0,0,0|2,0,0]=4 408 B14R0.145 CCOCCCNC(=O)CCCCCBr WXVL_AK0072SB2192 [0,2,0,0,0,0|1,1,0]=4 409 B14R0.145 CCOCCCNC(=O)CCCCCBr WXVL_AK0072SB2192 [0,2,0,0,0,0|1,1,0]=4 410 B14R0.145 CCOCCCNC(=O)CCCCCO WXVL_AK0072SB2973 [0,2,0,0,0,0|1,1,0]=4 411 B14R0.145 CCOCCCNC(=O)CCCCCO WXVL_AK0072SB2973 [0,2,0,0,0,0|1,1,0]=4 412 B14R0.145 COCCCNC(=O)CCCCCCBr WXVL_AK00637SB1386 [0,2,0,0,0,0|1,1,0]=4 413 B14R0.145 COCCCNC(=O)CCCCCCBr WXVL_AK00637SB1386 [0,2,0,0,0,0|1,1,0]=4 414 B14R0.145 CSCCCNC(=O)CCCCCCBr WXVL_AK0965SB1386 [0,2,0,0,0,0|1,0,0]=3 415 B14R0.145 CSCCCNC(=O)CCCCCCBr WXVL_AK0965SB1386 [0,2,0,0,0,0|1,0,0]=3 416 B14R0.145 O=C(CCCCCBr)NCCCCCO WXVL_AK0077SB2192 [0,2,0,0,0,0|2,0,0]=4 417 B14R0.145 O=C(CCCCCBr)NCCCCCO WXVL_AK0077SB2192 [0,2,0,0,0,0|2,0,0]=4 418 B14R0.145 O=C(CCCCCO)NCCCCCO WXVL_AK0077SB2973 [0,2,0,0,0,0|2,0,0]=4 419 B14R0.145 O=C(CCCCCO)NCCCCCO WXVL_AK0077SB2973 [0,2,0,0,0,0|2,0,0]=4 420 B14R0.2256 CCCCCC(C)C(=O)NCCCOC WXVL_AK00637SB0394 [0,2,0,0,0,0|1,1,0]=4 421 B14R0.2256 CCCCCC(C)C(=O)NCCCOC WXVL_AK00637SB0394 [0,2,0,0,0,0|1,1,0]=4 422 B14R0.2256 CCCCCC(C)C(=O)NCCCSC WXVL_AK0965SB0394 [0,2,0,0,0,0|1,0,0]=3 423 B14R0.2256 CCCCCC(C)C(=O)NCCCSC WXVL_AK0965SB0394 [0,2,0,0,0,0|1,0,0]=3 424 B14R0.2256 CCCCCNC(=O)C(C)CCCCC WXVL_AK0076SB0394 [0,2,0,0,0,0|2,0,0]=4 425 B14R0.2256 CCCCCNC(=O)C(C)CCCCC WXVL_AK0076SB0394 [0,2,0,0,0,0|2,0,0]=4 426 B14R0.176 CSCC[C@@H](CO)NC(=O)CCCCBr WXVL_AK1021SB3153 [0,2,0,0,0,0|2,0,0]=4 427 B14R0.176 CSCC[C@@H](CO)NC(=O)CCCCBr WXVL_AK1021SB3153 [0,2,0,0,0,0|2,0,0]=4 428 B14R0.176 CSCC[C@@H](CO)NC(=O)CCCCCl WXVL_AK1021SB0379 [0,2,0,0,0,0|2,0,0]=4 429 B14R0.176 CSCC[C@@H](CO)NC(=O)CCCCCl WXVL_AK1021SB0379 [0,2,0,0,0,0|2,0,0]=4 430 B14R0.1095 CCCCC(O)C(=O)NCCCCCO WXVL_AK0077SB3429 [0,2,0,0,0,0|2,0,0]=4 431 B14R0.1095 CCCCC(O)C(=O)NCCCCCO WXVL_AK0077SB3429 [0,2,0,0,0,0|2,0,0]=4 432 B14R0.1095 CCCCC(O)C(=O)NCCCOCC WXVL_AK0072SB3429 [0,2,0,0,0,0|1,1,0]=4 433 B14R0.1095 CCCCC(O)C(=O)NCCCOCC WXVL_AK0072SB3429 [0,2,0,0,0,0|1,1,0]=4 434 B14R0.1095 CCCCCCNC(=O)C(O)CCCC WXVL_AK0286SB3429 [0,2,0,0,0,0|2,0,0]=4 435 B14R0.1095 CCCCCCNC(=O)C(O)CCCC WXVL_AK0286SB3429 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.561 CCCCCNC(=O)C1CCC1 WXVL_AK0076SB0042 [1,0,0,1,0,0|2,0,0]=4 437 B12R1.561 CCCCCNC(=O)C1CCC1 WXVL_AK0076SB0042 [1,0,0,1,0,0|2,0,0]=4 438 B12R1.561 COCCCNC(=O)C1CCC1 WXVL_AK00637SB0042 [1,0,0,1,0,0|1,1,0]=4 439 B12R1.561 COCCCNC(=O)C1CCC1 WXVL_AK00637SB0042 [1,0,0,1,0,0|1,1,0]=4 440 B12R1.561 CSCCCNC(=O)C1CCC1 WXVL_AK0965SB0042 [1,0,0,1,0,0|1,0,0]=3 441 B12R1.561 CSCCCNC(=O)C1CCC1 WXVL_AK0965SB0042 [1,0,0,1,0,0|1,0,0]=3 442 B12R1.563 CCCCCNC(=O)CC1CC1 WXVL_AK0076SB0155 [1,0,0,1,0,0|2,0,0]=4 443 B12R1.563 CCCCCNC(=O)CC1CC1 WXVL_AK0076SB0155 [1,0,0,1,0,0|2,0,0]=4 444 B12R1.563 COCCCNC(=O)CC1CC1 WXVL_AK00637SB0155 [1,0,0,1,0,0|1,1,0]=4 445 B12R1.563 COCCCNC(=O)CC1CC1 WXVL_AK00637SB0155 [1,0,0,1,0,0|1,1,0]=4 446 B12R1.563 CSCCCNC(=O)CC1CC1 WXVL_AK0965SB0155 [1,0,0,1,0,0|1,0,0]=3 447 B12R1.563 CSCCCNC(=O)CC1CC1 WXVL_AK0965SB0155 [1,0,0,1,0,0|1,0,0]=3 448 B12R1.2563 CCCCCNC(=O)C1CC1C WXVL_AK0076SB0041 [1,0,0,1,0,0|2,0,0]=4 449 B12R1.2563 CCCCCNC(=O)C1CC1C WXVL_AK0076SB0041 [1,0,0,1,0,0|2,0,0]=4 450 B12R1.2563 COCCCNC(=O)C1CC1C WXVL_AK00637SB0041 [1,0,0,1,0,0|1,1,0]=4 451 B12R1.2563 COCCCNC(=O)C1CC1C WXVL_AK00637SB0041 [1,0,0,1,0,0|1,1,0]=4 452 B12R1.2563 CSCCCNC(=O)C1CC1C WXVL_AK0965SB0041 [1,0,0,1,0,0|1,0,0]=3 453 B12R1.2563 CSCCCNC(=O)C1CC1C WXVL_AK0965SB0041 [1,0,0,1,0,0|1,0,0]=3 454 B12R1.2563 CSCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK0965SB1245 [1,0,0,1,0,0|2,0,0]=4 455 B12R1.2563 CSCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK0965SB1245 [1,0,0,1,0,0|2,0,0]=4 456 B12R1.2563 CSCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK0965SB00019 [1,0,0,1,0,0|2,0,0]=4 457 B12R1.2563 CSCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK0965SB00019 [1,0,0,1,0,0|2,0,0]=4 458 B12R1.35 CCCCNC(=O)C1CCCC1 WXVL_AK00588SB0043 [1,0,0,1,0,0|1,0,0]=3 459 B12R1.35 CCCCNC(=O)C1CCCC1 WXVL_AK00588SB0043 [1,0,0,1,0,0|1,0,0]=3 460 B12R1.35 CCCCNC(=O)C1CCCO1 WXVL_AK00588SB1033 [1,0,0,1,0,0|2,0,0]=4 461 B12R1.35 CCCCNC(=O)C1CCCO1 WXVL_AK00588SB1033 [1,0,0,1,0,0|2,0,0]=4 462 B12R1.35 CCCCNC(=O)C1CCCS1 WXVL_AK00588SB0022 [1,0,0,1,0,0|2,0,0]=4 463 B12R1.35 CCCCNC(=O)C1CCCS1 WXVL_AK00588SB0022 [1,0,0,1,0,0|2,0,0]=4 464 B12R1.35 CCCCNC(=O)[C@H]1CCCO1 WXVL_AK00588SB00043 [1,0,0,1,0,0|2,0,0]=4 465 B12R1.35 CCCCNC(=O)[C@H]1CCCO1 WXVL_AK00588SB00043 [1,0,0,1,0,0|2,0,0]=4 466 B12R1.35 CSCCNC(=O)C1CCCC1 WXVL_AK00440SB0043 [1,0,0,1,0,0|1,0,0]=3 467 B12R1.35 CSCCNC(=O)C1CCCC1 WXVL_AK00440SB0043 [1,0,0,1,0,0|1,0,0]=3 468 B12R1.35 CSCCNC(=O)C1CCCO1 WXVL_AK00440SB1033 [1,0,0,1,0,0|2,0,0]=4 469 B12R1.35 CSCCNC(=O)C1CCCO1 WXVL_AK00440SB1033 [1,0,0,1,0,0|2,0,0]=4 470 B12R1.35 CSCCNC(=O)C1CCCS1 WXVL_AK00440SB0022 [1,0,0,1,0,0|2,0,0]=4 471 B12R1.35 CSCCNC(=O)C1CCCS1 WXVL_AK00440SB0022 [1,0,0,1,0,0|2,0,0]=4 472 B12R1.35 CSCCNC(=O)[C@H]1CCCO1 WXVL_AK00440SB00043 [1,0,0,1,0,0|2,0,0]=4 473 B12R1.35 CSCCNC(=O)[C@H]1CCCO1 WXVL_AK00440SB00043 [1,0,0,1,0,0|2,0,0]=4 474 B12R1.35 O=C(CCCCBr)N1CCCC1 WXVL_AN0008SB3153 [1,0,0,1,0,0|2,0,0]=4 475 B12R1.35 O=C(CCCCBr)N1CCCC1 WXVL_AN0008SB3153 [1,0,0,1,0,0|2,0,0]=4 476 B12R1.35 O=C(CCCCCl)N1CCCC1 WXVL_AN0008SB0379 [1,0,0,1,0,0|2,0,0]=4 477 B12R1.35 O=C(CCCCCl)N1CCCC1 WXVL_AN0008SB0379 [1,0,0,1,0,0|2,0,0]=4 478 B12R1.35 O=C(NCCCO)C1CCCC1 WXVL_AK0073SB0043 [1,0,0,1,0,0|1,1,0]=4 479 B12R1.35 O=C(NCCCO)C1CCCC1 WXVL_AK0073SB0043 [1,0,0,1,0,0|1,1,0]=4 480 B12R1.483 CCCCNC(=O)CC1CCC1 WXVL_AK00588SB2207 [1,0,0,1,0,0|1,0,0]=3 481 B12R1.483 CCCCNC(=O)CC1CCC1 WXVL_AK00588SB2207 [1,0,0,1,0,0|1,0,0]=3 482 B12R1.483 CSCCNC(=O)CC1CCC1 WXVL_AK00440SB2207 [1,0,0,1,0,0|1,0,0]=3 483 B12R1.483 CSCCNC(=O)CC1CCC1 WXVL_AK00440SB2207 [1,0,0,1,0,0|1,0,0]=3 484 B12R1.483 O=C(CC1CCC1)NCCCO WXVL_AK0073SB2207 [1,0,0,1,0,0|1,1,0]=4 485 B12R1.483 O=C(CC1CCC1)NCCCO WXVL_AK0073SB2207 [1,0,0,1,0,0|1,1,0]=4 486 B12R1.483 O=C(CCCCBr)NC1CSC1 WXVL_AK2089SB3153 [1,0,0,1,0,0|2,0,0]=4 487 B12R1.483 O=C(CCCCBr)NC1CSC1 WXVL_AK2089SB3153 [1,0,0,1,0,0|2,0,0]=4 488 B12R1.483 O=C(CCCCCl)NC1CSC1 WXVL_AK2089SB0379 [1,0,0,1,0,0|2,0,0]=4 489 B12R1.483 O=C(CCCCCl)NC1CSC1 WXVL_AK2089SB0379 [1,0,0,1,0,0|2,0,0]=4 490 B12R1.484 CCCCNC(=O)CCC1CC1 WXVL_AK00588SB5360 [1,0,0,1,0,0|1,0,0]=3 491 B12R1.484 CCCCNC(=O)CCC1CC1 WXVL_AK00588SB5360 [1,0,0,1,0,0|1,0,0]=3 492 B12R1.484 CSCCNC(=O)CCC1CC1 WXVL_AK00440SB5360 [1,0,0,1,0,0|1,0,0]=3 493 B12R1.484 CSCCNC(=O)CCC1CC1 WXVL_AK00440SB5360 [1,0,0,1,0,0|1,0,0]=3 494 B12R1.484 O=C(CCC1CC1)NCCCO WXVL_AK0073SB5360 [1,0,0,1,0,0|1,1,0]=4 495 B12R1.484 O=C(CCC1CC1)NCCCO WXVL_AK0073SB5360 [1,0,0,1,0,0|1,1,0]=4 496 B14R1.37 CCCCCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK0076SB0853 [0,1,0,1,0,0|2,0,0]=4 497 B14R1.37 CCCCCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK0076SB0853 [0,1,0,1,0,0|2,0,0]=4 498 B14R1.37 COCCCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK00637SB0853 [0,1,0,1,0,0|1,1,0]=4 499 B14R1.37 COCCCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK00637SB0853 [0,1,0,1,0,0|1,1,0]=4 500 B14R1.37 CSCCCNC(=O)C1CCN(C1)C WXVL_AK0965SB1540 [0,1,0,1,0,0|2,0,0]=4 501 B14R1.37 CSCCCNC(=O)C1CCN(C1)C WXVL_AK0965SB1540 [0,1,0,1,0,0|2,0,0]=4 502 B14R1.37 CSCCCNC(=O)[C@@H]1C[C@@H](CN1)O WXVL_AK0965SB00007 [0,1,0,1,0,0|2,0,0]=4 503 B14R1.37 CSCCCNC(=O)[C@@H]1C[C@@H](CN1)O WXVL_AK0965SB00007 [0,1,0,1,0,0|2,0,0]=4 504 B14R1.37 CSCCCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK0965SB0853 [0,1,0,1,0,0|1,0,0]=3 505 B14R1.37 CSCCCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK0965SB0853 [0,1,0,1,0,0|1,0,0]=3 506 B14R1.1469 CC(C)CCCC(=O)NCC1CCC1 WXVL_AK00492SB1301 [0,1,0,1,0,0|2,0,0]=4 507 B14R1.1469 CC(C)CCCC(=O)NCC1CCC1 WXVL_AK00492SB1301 [0,1,0,1,0,0|2,0,0]=4 508 B14R1.1469 CC(C)CCCC(=O)NCC1COC1 WXVL_AK0186SB1301 [0,1,0,1,0,0|1,1,0]=4 509 B14R1.1469 CC(C)CCCC(=O)NCC1COC1 WXVL_AK0186SB1301 [0,1,0,1,0,0|1,1,0]=4 510 B14R1.1470 CC(C)CCCC(=O)NCCC1CC1 WXVL_AK00594SB1301 [0,1,0,1,0,0|2,0,0]=4 511 B14R1.1470 CC(C)CCCC(=O)NCCC1CC1 WXVL_AK00594SB1301 [0,1,0,1,0,0|2,0,0]=4 512 B14R1.3685 O=C(CCCCCBr)NCCC1CC1 WXVL_AK00594SB2192 [0,1,0,1,0,0|2,0,0]=4 513 B14R1.3685 O=C(CCCCCBr)NCCC1CC1 WXVL_AK00594SB2192 [0,1,0,1,0,0|2,0,0]=4 514 B14R1.3685 O=C(CCCCCO)NCCC1CC1 WXVL_AK00594SB2973 [0,1,0,1,0,0|2,0,0]=4 515 B14R1.3685 O=C(CCCCCO)NCCC1CC1 WXVL_AK00594SB2973 [0,1,0,1,0,0|2,0,0]=4 516 B14R1.4488 CC(C)CCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB1301 [0,1,0,1,0,0|2,0,0]=4 517 B14R1.38 CCCCCNC(=O)C1CCCCC1 WXVL_AK0076SB0047 [0,1,0,1,0,0|2,0,0]=4 518 B14R1.38 CCCCCNC(=O)C1CCCCC1 WXVL_AK0076SB0047 [0,1,0,1,0,0|2,0,0]=4 519 B14R1.38 CCCCCNC(=O)C1CCCCO1 WXVL_AK0076SB0206 [0,1,0,1,0,0|2,0,0]=4 520 B14R1.38 CCCCCNC(=O)C1CCCCO1 WXVL_AK0076SB0206 [0,1,0,1,0,0|2,0,0]=4 521 B14R1.38 CCCCCNC(=O)C1CCOCC1 WXVL_AK0076SB0149 [0,1,0,1,0,0|2,0,0]=4 522 B14R1.38 CCCCCNC(=O)C1CCOCC1 WXVL_AK0076SB0149 [0,1,0,1,0,0|2,0,0]=4 523 B14R1.38 CCCCCNC(=O)C1CCSCC1 WXVL_AK0076SB0752 [0,1,0,1,0,0|2,0,0]=4 524 B14R1.38 CCCCCNC(=O)C1CCSCC1 WXVL_AK0076SB0752 [0,1,0,1,0,0|2,0,0]=4 525 B14R1.38 CCCCCNC(=O)[C@H]1CCCCO1 WXVL_AK0076SB00044 [0,1,0,1,0,0|2,0,0]=4 526 B14R1.38 CCCCCNC(=O)[C@H]1CCCCO1 WXVL_AK0076SB00044 [0,1,0,1,0,0|2,0,0]=4 527 B14R1.38 COCCCNC(=O)C1CCCCC1 WXVL_AK00637SB0047 [0,1,0,1,0,0|1,1,0]=4 528 B14R1.38 COCCCNC(=O)C1CCCCC1 WXVL_AK00637SB0047 [0,1,0,1,0,0|1,1,0]=4 529 B14R1.38 COCCCNC(=O)C1CCCCO1 WXVL_AK00637SB0206 [0,1,0,1,0,0|1,1,0]=4 530 B14R1.38 COCCCNC(=O)C1CCCCO1 WXVL_AK00637SB0206 [0,1,0,1,0,0|1,1,0]=4 531 B14R1.38 COCCCNC(=O)C1CCOCC1 WXVL_AK00637SB0149 [0,1,0,1,0,0|1,1,0]=4 532 B14R1.38 COCCCNC(=O)C1CCOCC1 WXVL_AK00637SB0149 [0,1,0,1,0,0|1,1,0]=4 533 B14R1.38 COCCCNC(=O)C1CCSCC1 WXVL_AK00637SB0752 [0,1,0,1,0,0|1,1,0]=4 534 B14R1.38 COCCCNC(=O)C1CCSCC1 WXVL_AK00637SB0752 [0,1,0,1,0,0|1,1,0]=4 535 B14R1.38 COCCCNC(=O)[C@H]1CCCCO1 WXVL_AK00637SB00044 [0,1,0,1,0,0|1,1,0]=4 536 B14R1.38 COCCCNC(=O)[C@H]1CCCCO1 WXVL_AK00637SB00044 [0,1,0,1,0,0|1,1,0]=4 537 B14R1.38 CSCCCNC(=O)C1CC=CCC1 WXVL_AK0965SB3640 [0,1,0,1,0,0|1,0,1]=4 538 B14R1.38 CSCCCNC(=O)C1CC=CCC1 WXVL_AK0965SB3640 [0,1,0,1,0,0|1,0,1]=4 539 B14R1.38 CSCCCNC(=O)C1CCCCC1 WXVL_AK0965SB0047 [0,1,0,1,0,0|1,0,0]=3 540 B14R1.38 CSCCCNC(=O)C1CCCCC1 WXVL_AK0965SB0047 [0,1,0,1,0,0|1,0,0]=3 541 B14R1.38 CSCCCNC(=O)C1CCCCO1 WXVL_AK0965SB0206 [0,1,0,1,0,0|1,0,0]=3 542 B14R1.38 CSCCCNC(=O)C1CCCCO1 WXVL_AK0965SB0206 [0,1,0,1,0,0|1,0,0]=3 543 B14R1.38 CSCCCNC(=O)C1CCOCC1 WXVL_AK0965SB0149 [0,1,0,1,0,0|1,0,0]=3 544 B14R1.38 CSCCCNC(=O)C1CCOCC1 WXVL_AK0965SB0149 [0,1,0,1,0,0|1,0,0]=3 545 B14R1.38 CSCCCNC(=O)C1CCSCC1 WXVL_AK0965SB0752 [0,1,0,1,0,0|1,0,0]=3 546 B14R1.38 CSCCCNC(=O)C1CCSCC1 WXVL_AK0965SB0752 [0,1,0,1,0,0|1,0,0]=3 547 B14R1.38 CSCCCNC(=O)[C@H]1CCCCO1 WXVL_AK0965SB00044 [0,1,0,1,0,0|1,0,0]=3 548 B14R1.38 CSCCCNC(=O)[C@H]1CCCCO1 WXVL_AK0965SB00044 [0,1,0,1,0,0|1,0,0]=3 549 B14R1.92 CCCCCNC(=O)CC1CCCC1 WXVL_AK0076SB0044 [0,1,0,1,0,0|2,0,0]=4 550 B14R1.92 CCCCCNC(=O)CC1CCCC1 WXVL_AK0076SB0044 [0,1,0,1,0,0|2,0,0]=4 551 B14R1.92 CCCCCNC(=O)CN1CCCC1 WXVL_AK0076SB0201 [0,1,0,1,0,0|2,0,0]=4 552 B14R1.92 CCCCCNC(=O)CN1CCCC1 WXVL_AK0076SB0201 [0,1,0,1,0,0|2,0,0]=4 553 B14R1.92 COCCCNC(=O)CC1CCCC1 WXVL_AK00637SB0044 [0,1,0,1,0,0|1,1,0]=4 554 B14R1.92 COCCCNC(=O)CC1CCCC1 WXVL_AK00637SB0044 [0,1,0,1,0,0|1,1,0]=4 555 B14R1.92 COCCCNC(=O)CN1CCCC1 WXVL_AK00637SB0201 [0,1,0,1,0,0|1,1,0]=4 556 B14R1.92 COCCCNC(=O)CN1CCCC1 WXVL_AK00637SB0201 [0,1,0,1,0,0|1,1,0]=4 557 B14R1.92 CSCCCNC(=O)CC1CCCC1 WXVL_AK0965SB0044 [0,1,0,1,0,0|1,0,0]=3 558 B14R1.92 CSCCCNC(=O)CC1CCCC1 WXVL_AK0965SB0044 [0,1,0,1,0,0|1,0,0]=3 559 B14R1.92 CSCCCNC(=O)CN1CCCC1 WXVL_AK0965SB0201 [0,1,0,1,0,0|1,0,0]=3 560 B14R1.92 CSCCCNC(=O)CN1CCCC1 WXVL_AK0965SB0201 [0,1,0,1,0,0|1,0,0]=3 561 B14R1.3360 CCCCCNC(=O)C1CCCC1C WXVL_AK0076SB0904 [0,1,0,1,0,0|2,0,0]=4 562 B14R1.3360 CCCCCNC(=O)C1CCCC1C WXVL_AK0076SB0904 [0,1,0,1,0,0|2,0,0]=4 563 B14R1.3360 CCCCCNC(=O)[C@@H]1CCCN1C WXVL_AK0076SB1197 [0,1,0,1,0,0|2,0,0]=4 564 B14R1.3360 CCCCCNC(=O)[C@@H]1CCCN1C WXVL_AK0076SB1197 [0,1,0,1,0,0|2,0,0]=4 565 B14R1.3360 COCCCNC(=O)C1CCCC1C WXVL_AK00637SB0904 [0,1,0,1,0,0|1,1,0]=4 566 B14R1.3360 COCCCNC(=O)C1CCCC1C WXVL_AK00637SB0904 [0,1,0,1,0,0|1,1,0]=4 567 B14R1.3360 COCCCNC(=O)[C@@H]1CCCN1C WXVL_AK00637SB1197 [0,1,0,1,0,0|1,1,0]=4 568 B14R1.3360 COCCCNC(=O)[C@@H]1CCCN1C WXVL_AK00637SB1197 [0,1,0,1,0,0|1,1,0]=4 569 B14R1.3360 CSCCCNC(=O)C1CCCC1C WXVL_AK0965SB0904 [0,1,0,1,0,0|1,0,0]=3 570 B14R1.3360 CSCCCNC(=O)C1CCCC1C WXVL_AK0965SB0904 [0,1,0,1,0,0|1,0,0]=3 571 B14R1.3360 CSCCCNC(=O)[C@@H]1CCCN1C WXVL_AK0965SB1197 [0,1,0,1,0,0|1,0,0]=3 572 B14R1.3360 CSCCCNC(=O)[C@@H]1CCCN1C WXVL_AK0965SB1197 [0,1,0,1,0,0|1,0,0]=3 573 B14R1.3360 C[C@@H]1CCCN1C(=O)CCCCCBr WXVL_AN00593SB2192 [0,1,0,1,0,0|2,0,0]=4 574 B14R1.3360 C[C@@H]1CCCN1C(=O)CCCCCO WXVL_AN00593SB2973 [0,1,0,1,0,0|2,0,0]=4 575 B14R1.3684 CCCCCNC(=O)CCC1CCC1 WXVL_AK0076SB8784 [0,1,0,1,0,0|2,0,0]=4 576 B14R1.3684 CCCCCNC(=O)CCC1CCC1 WXVL_AK0076SB8784 [0,1,0,1,0,0|2,0,0]=4 577 B14R1.3684 COCCCNC(=O)CCC1CCC1 WXVL_AK00637SB8784 [0,1,0,1,0,0|1,1,0]=4 578 B14R1.3684 COCCCNC(=O)CCC1CCC1 WXVL_AK00637SB8784 [0,1,0,1,0,0|1,1,0]=4 579 B14R1.3684 CSCCCNC(=O)CCC1CCC1 WXVL_AK0965SB8784 [0,1,0,1,0,0|1,0,0]=3 580 B14R1.3684 CSCCCNC(=O)CCC1CCC1 WXVL_AK0965SB8784 [0,1,0,1,0,0|1,0,0]=3 581 B14R1.3684 O=C(CCCCCBr)NCC1CCC1 WXVL_AK00492SB2192 [0,1,0,1,0,0|2,0,0]=4 582 B14R1.3684 O=C(CCCCCBr)NCC1CCC1 WXVL_AK00492SB2192 [0,1,0,1,0,0|2,0,0]=4 583 B14R1.3684 O=C(CCCCCBr)NCC1COC1 WXVL_AK0186SB2192 [0,1,0,1,0,0|1,1,0]=4 584 B14R1.3684 O=C(CCCCCBr)NCC1COC1 WXVL_AK0186SB2192 [0,1,0,1,0,0|1,1,0]=4 585 B14R1.3684 O=C(CCCCCO)NCC1CCC1 WXVL_AK00492SB2973 [0,1,0,1,0,0|2,0,0]=4 586 B14R1.3684 O=C(CCCCCO)NCC1CCC1 WXVL_AK00492SB2973 [0,1,0,1,0,0|2,0,0]=4 587 B14R1.3684 O=C(CCCCCO)NCC1COC1 WXVL_AK0186SB2973 [0,1,0,1,0,0|1,1,0]=4 588 B14R1.3684 O=C(CCCCCO)NCC1COC1 WXVL_AK0186SB2973 [0,1,0,1,0,0|1,1,0]=4 589 B14R1.86 CCCCNC(=O)COC1CCCC1 WXVL_AK00588SB0754 [0,1,0,1,0,0|2,0,0]=4 590 B14R1.86 CCCCNC(=O)COC1CCCC1 WXVL_AK00588SB0754 [0,1,0,1,0,0|2,0,0]=4 591 B14R1.10522 CCCCCNC(=O)CC1(CCC1)O WXVL_AK0076SB0026 [0,1,0,1,0,0|2,0,0]=4 592 B14R1.10522 CCCCCNC(=O)CC1(CCC1)O WXVL_AK0076SB0026 [0,1,0,1,0,0|2,0,0]=4 593 B14R1.10522 COCCCNC(=O)CC1(CCC1)O WXVL_AK00637SB0026 [0,1,0,1,0,0|1,1,0]=4 594 B14R1.10522 COCCCNC(=O)CC1(CCC1)O WXVL_AK00637SB0026 [0,1,0,1,0,0|1,1,0]=4 595 B14R1.10522 CSCCCNC(=O)CC1(CCC1)O WXVL_AK0965SB0026 [0,1,0,1,0,0|1,0,0]=3 596 B14R1.10522 CSCCCNC(=O)CC1(CCC1)O WXVL_AK0965SB0026 [0,1,0,1,0,0|1,0,0]=3 597 B14R1.169 CCCCCCNC(=O)C1CCCC1 WXVL_AK0286SB0043 [0,1,0,1,0,0|2,0,0]=4 598 B14R1.169 CCCCCCNC(=O)C1CCCC1 WXVL_AK0286SB0043 [0,1,0,1,0,0|2,0,0]=4 599 B14R1.169 CCOCCCNC(=O)C1CCCC1 WXVL_AK0072SB0043 [0,1,0,1,0,0|1,1,0]=4 600 B14R1.169 CCOCCCNC(=O)C1CCCC1 WXVL_AK0072SB0043 [0,1,0,1,0,0|1,1,0]=4 601 B14R1.169 O=C(NCCCCCO)C1CCCC1 WXVL_AK0077SB0043 [0,1,0,1,0,0|2,0,0]=4 602 B14R1.169 O=C(NCCCCCO)C1CCCC1 WXVL_AK0077SB0043 [0,1,0,1,0,0|2,0,0]=4 603 B14R1.4517 CCCCCCNC(=O)CC1CCC1 WXVL_AK0286SB2207 [0,1,0,1,0,0|2,0,0]=4 604 B14R1.4517 CCCCCCNC(=O)CC1CCC1 WXVL_AK0286SB2207 [0,1,0,1,0,0|2,0,0]=4 605 B14R1.4517 CCOCCCNC(=O)CC1CCC1 WXVL_AK0072SB2207 [0,1,0,1,0,0|1,1,0]=4 606 B14R1.4517 CCOCCCNC(=O)CC1CCC1 WXVL_AK0072SB2207 [0,1,0,1,0,0|1,1,0]=4 607 B14R1.4517 O=C(CC1CCC1)NCCCCCO WXVL_AK0077SB2207 [0,1,0,1,0,0|2,0,0]=4 608 B14R1.4517 O=C(CC1CCC1)NCCCCCO WXVL_AK0077SB2207 [0,1,0,1,0,0|2,0,0]=4 609 B14R1.4518 CCCCCCNC(=O)CCC1CC1 WXVL_AK0286SB5360 [0,1,0,1,0,0|2,0,0]=4 610 B14R1.4518 CCCCCCNC(=O)CCC1CC1 WXVL_AK0286SB5360 [0,1,0,1,0,0|2,0,0]=4 611 B14R1.4518 CCOCCCNC(=O)CCC1CC1 WXVL_AK0072SB5360 [0,1,0,1,0,0|1,1,0]=4 612 B14R1.4518 CCOCCCNC(=O)CCC1CC1 WXVL_AK0072SB5360 [0,1,0,1,0,0|1,1,0]=4 613 B14R1.4518 O=C(CCC1CC1)NCCCCCO WXVL_AK0077SB5360 [0,1,0,1,0,0|2,0,0]=4 614 B14R1.4518 O=C(CCC1CC1)NCCCCCO WXVL_AK0077SB5360 [0,1,0,1,0,0|2,0,0]=4 615 B14R1.6548 CSCCCNS(=O)(=O)CC1CCC1 WXVL_AK0965HU0422 [0,1,0,1,0,0|2,0,0]=4 616 B14R1.6548 CSCCCNS(=O)(=O)CC1CCC1 WXVL_AK0965HU0422 [0,1,0,1,0,0|2,0,0]=4 617 B14R1.4475 CCCCC(O)C(=O)N1CCC[C@H]1C WXVL_AN00593SB3429 [0,1,0,1,0,0|2,0,0]=4 618 B14R1.6564 CCCCC(O)C(=O)NCC1CCC1 WXVL_AK00492SB3429 [0,1,0,1,0,0|2,0,0]=4 619 B14R1.6564 CCCCC(O)C(=O)NCC1CCC1 WXVL_AK00492SB3429 [0,1,0,1,0,0|2,0,0]=4 620 B14R1.6564 CCCCC(O)C(=O)NCC1COC1 WXVL_AK0186SB3429 [0,1,0,1,0,0|1,1,0]=4 621 B14R1.6564 CCCCC(O)C(=O)NCC1COC1 WXVL_AK0186SB3429 [0,1,0,1,0,0|1,1,0]=4 622 B14R1.6565 CCCCC(O)C(=O)NCCC1CC1 WXVL_AK00594SB3429 [0,1,0,1,0,0|2,0,0]=4 623 B14R1.6565 CCCCC(O)C(=O)NCCC1CC1 WXVL_AK00594SB3429 [0,1,0,1,0,0|2,0,0]=4 624 B14R1.10502 CCCCCNC(=O)C1(CCCC1)C WXVL_AK0076SB0209 [0,1,0,1,0,0|2,0,0]=4 625 B14R1.10502 CCCCCNC(=O)C1(CCCC1)C WXVL_AK0076SB0209 [0,1,0,1,0,0|2,0,0]=4 626 B14R1.10502 COCCCNC(=O)C1(CCCC1)C WXVL_AK00637SB0209 [0,1,0,1,0,0|1,1,0]=4 627 B14R1.10502 COCCCNC(=O)C1(CCCC1)C WXVL_AK00637SB0209 [0,1,0,1,0,0|1,1,0]=4 628 B14R1.10502 CSCCCNC(=O)C1(CCCC1)C WXVL_AK0965SB0209 [0,1,0,1,0,0|1,0,0]=3 629 B14R1.10502 CSCCCNC(=O)C1(CCCC1)C WXVL_AK0965SB0209 [0,1,0,1,0,0|1,0,0]=3 630 B14R1.10502 CSCCCNC(=O)[C@]1(CCCN1)C WXVL_AK0965SB00033 [0,1,0,1,0,0|2,0,0]=4 631 B14R1.10502 CSCCCNC(=O)[C@]1(CCCN1)C WXVL_AK0965SB00033 [0,1,0,1,0,0|2,0,0]=4 632 B14R2.308 C[C@@H]1CCCN1C(=O)C2CCCC2 WXVL_AN00593SB0043 [0,0,0,2,0,0|2,0,0]=4 633 B14R2.4253 O=C(NCCC1CC1)C2CCCC2 WXVL_AK00594SB0043 [0,0,0,2,0,0|2,0,0]=4 634 B14R2.4253 O=C(NCCC1CC1)C2CCCC2 WXVL_AK00594SB0043 [0,0,0,2,0,0|2,0,0]=4 635 B14R2.4254 O=C(NCC1CCC1)C2CCCC2 WXVL_AK00492SB0043 [0,0,0,2,0,0|2,0,0]=4 636 B14R2.4254 O=C(NCC1CCC1)C2CCCC2 WXVL_AK00492SB0043 [0,0,0,2,0,0|2,0,0]=4 637 B14R2.4254 O=C(NCC1COC1)C2CCCC2 WXVL_AK0186SB0043 [0,0,0,2,0,0|1,1,0]=4 638 B14R2.4254 O=C(NCC1COC1)C2CCCC2 WXVL_AK0186SB0043 [0,0,0,2,0,0|1,1,0]=4 639 B14R2.5218 C[C@@H]1CCCN1C(=O)CCC2CC2 WXVL_AN00593SB5360 [0,0,0,2,0,0|2,0,0]=4 640 B14R2.21853 C[C@@H]1CCCN1C(=O)CC2CCC2 WXVL_AN00593SB2207 [0,0,0,2,0,0|2,0,0]=4 641 B14R2.31855 O=C(CCC1CC1)NCC2CCC2 WXVL_AK00492SB5360 [0,0,0,2,0,0|2,0,0]=4 642 B14R2.31855 O=C(CCC1CC1)NCC2CCC2 WXVL_AK00492SB5360 [0,0,0,2,0,0|2,0,0]=4 643 B14R2.31855 O=C(CCC1CC1)NCC2COC2 WXVL_AK0186SB5360 [0,0,0,2,0,0|1,1,0]=4 644 B14R2.31855 O=C(CCC1CC1)NCC2COC2 WXVL_AK0186SB5360 [0,0,0,2,0,0|1,1,0]=4 645 B14R2.62969 O=C(CC1CCC1)NCC2CCC2 WXVL_AK00492SB2207 [0,0,0,2,0,0|2,0,0]=4 646 B14R2.62969 O=C(CC1CCC1)NCC2CCC2 WXVL_AK00492SB2207 [0,0,0,2,0,0|2,0,0]=4 647 B14R2.62969 O=C(CC1CCC1)NCC2COC2 WXVL_AK0186SB2207 [0,0,0,2,0,0|1,1,0]=4 648 B14R2.62969 O=C(CC1CCC1)NCC2COC2 WXVL_AK0186SB2207 [0,0,0,2,0,0|1,1,0]=4 649 B14R2.31865 O=C(CCC1CC1)NCCC2CC2 WXVL_AK00594SB5360 [0,0,0,2,0,0|2,0,0]=4 650 B14R2.31865 O=C(CCC1CC1)NCCC2CC2 WXVL_AK00594SB5360 [0,0,0,2,0,0|2,0,0]=4 651 B14R2.62975 O=C(CC1CCC1)NCCC2CC2 WXVL_AK00594SB2207 [0,0,0,2,0,0|2,0,0]=4 652 B14R2.62975 O=C(CC1CCC1)NCCC2CC2 WXVL_AK00594SB2207 [0,0,0,2,0,0|2,0,0]=4